NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
26390 | 2kj8 | 16315 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 1H SER 1 7.394 0.381 13.337 2 H2 SER 1 2H SER 1 7.639 -0.862 12.211 3 H3 SER 1 3H SER 1 8.134 -1.068 13.814 4 HA SER 1 HA SER 1 5.333 -0.715 12.938 5 HB2 SER 1 1HB SER 1 6.728 -3.233 13.885 6 HB3 SER 1 2HB SER 1 5.055 -3.093 13.343 7 HG SER 1 HG SER 1 7.376 -3.289 11.877 8 H SER 2 H SER 2 4.491 0.475 14.536 9 HA SER 2 HA SER 2 5.494 0.402 17.209 10 HB2 SER 2 1HB SER 2 3.481 1.960 17.575 11 HB3 SER 2 2HB SER 2 4.728 2.504 16.451 12 HG SER 2 HG SER 2 2.598 2.769 15.606 13 H ASN 3 H ASN 3 2.416 -0.508 15.696 14 HA ASN 3 HA ASN 3 1.813 -2.159 18.064 15 HB2 ASN 3 1HB ASN 3 -0.078 -0.493 16.391 16 HB3 ASN 3 2HB ASN 3 -0.604 -1.663 17.594 17 HD21 ASN 3 2HD2 ASN 3 -1.073 1.199 17.487 18 HD22 ASN 3 1HD2 ASN 3 -0.411 1.852 18.956 19 H ASN 4 H ASN 4 -0.252 -3.611 17.329 20 HA ASN 4 HA ASN 4 0.722 -5.308 15.217 21 HB2 ASN 4 1HB ASN 4 -0.379 -6.241 17.218 22 HB3 ASN 4 2HB ASN 4 -1.868 -5.413 16.788 23 HD21 ASN 4 2HD2 ASN 4 0.331 -7.996 15.936 24 HD22 ASN 4 1HD2 ASN 4 -0.784 -8.873 14.932 25 H ASN 5 H ASN 5 -1.271 -2.589 15.420 26 HA ASN 5 HA ASN 5 -2.732 -3.130 12.969 27 HB2 ASN 5 1HB ASN 5 -2.748 -0.890 14.970 28 HB3 ASN 5 2HB ASN 5 -3.504 -0.683 13.394 29 HD21 ASN 5 2HD2 ASN 5 -5.513 -0.436 14.396 30 HD22 ASN 5 1HD2 ASN 5 -6.389 -1.797 15.024 31 H SER 6 H SER 6 0.350 -2.408 13.445 32 HA SER 6 HA SER 6 0.761 -0.143 11.782 33 HB2 SER 6 1HB SER 6 2.624 -2.381 12.592 34 HB3 SER 6 2HB SER 6 3.130 -0.938 11.710 35 HG SER 6 HG SER 6 2.133 0.243 13.547 36 H PHE 7 H PHE 7 1.394 -0.026 9.634 37 HA PHE 7 HA PHE 7 -0.106 -1.649 7.936 38 HB2 PHE 7 1HB PHE 7 0.755 0.726 7.536 39 HB3 PHE 7 2HB PHE 7 2.260 -0.024 7.019 40 HD1 PHE 7 HD1 PHE 7 2.352 -1.339 4.965 41 HD2 PHE 7 HD2 PHE 7 -1.230 0.600 6.199 42 HE1 PHE 7 HE1 PHE 7 1.414 -1.645 2.714 43 HE2 PHE 7 HE2 PHE 7 -2.173 0.302 3.946 44 HZ PHE 7 HZ PHE 7 -0.852 -0.822 2.202 45 H SER 8 H SER 8 3.432 -1.628 8.461 46 HA SER 8 HA SER 8 4.141 -3.588 6.640 47 HB2 SER 8 1HB SER 8 5.351 -3.065 9.363 48 HB3 SER 8 2HB SER 8 6.121 -3.979 8.065 49 HG SER 8 HG SER 8 6.356 -2.161 6.898 50 H ALA 9 H ALA 9 2.918 -4.001 9.934 51 HA ALA 9 HA ALA 9 3.410 -6.764 10.170 52 HB1 ALA 9 3HB ALA 9 2.896 -5.311 12.083 53 HB2 ALA 9 1HB ALA 9 1.830 -6.717 12.018 54 HB3 ALA 9 2HB ALA 9 1.243 -5.137 11.495 55 H ILE 10 H ILE 10 0.482 -4.991 9.232 56 HA ILE 10 HA ILE 10 -1.066 -7.308 8.689 57 HB ILE 10 HB ILE 10 -1.469 -4.537 7.554 58 HG12 ILE 10 1HG1 ILE 10 -2.487 -5.691 10.160 59 HG13 ILE 10 2HG1 ILE 10 -1.197 -4.504 10.015 60 HG21 ILE 10 1HG2 ILE 10 -3.412 -6.788 8.082 61 HG22 ILE 10 2HG2 ILE 10 -2.833 -6.264 6.500 62 HG23 ILE 10 3HG2 ILE 10 -3.832 -5.186 7.475 63 HD11 ILE 10 3HD1 ILE 10 -4.068 -4.113 9.220 64 HD12 ILE 10 1HD1 ILE 10 -2.782 -2.922 9.032 65 HD13 ILE 10 2HD1 ILE 10 -3.271 -3.448 10.643 66 H TYR 11 H TYR 11 0.973 -5.198 6.752 67 HA TYR 11 HA TYR 11 0.353 -6.194 4.209 68 HB2 TYR 11 1HB TYR 11 1.686 -4.151 4.558 69 HB3 TYR 11 2HB TYR 11 3.009 -5.127 5.192 70 HD1 TYR 11 HD2 TYR 11 0.972 -4.525 2.150 71 HD2 TYR 11 HD1 TYR 11 4.592 -6.099 3.735 72 HE1 TYR 11 HE2 TYR 11 1.829 -4.838 -0.132 73 HE2 TYR 11 HE1 TYR 11 5.458 -6.420 1.454 74 HH TYR 11 HH TYR 11 4.607 -6.679 -0.816 75 H LYS 12 H LYS 12 2.726 -7.288 6.616 76 HA LYS 12 HA LYS 12 3.921 -9.250 5.001 77 HB2 LYS 12 1HB LYS 12 4.947 -8.480 7.081 78 HB3 LYS 12 2HB LYS 12 3.633 -9.191 8.008 79 HG2 LYS 12 1HG LYS 12 4.299 -11.399 7.399 80 HG3 LYS 12 2HG LYS 12 5.475 -10.781 6.242 81 HD2 LYS 12 1HD LYS 12 6.756 -9.787 8.071 82 HD3 LYS 12 2HD LYS 12 5.573 -10.396 9.230 83 HE2 LYS 12 1HE LYS 12 6.119 -12.664 8.695 84 HE3 LYS 12 2HE LYS 12 7.139 -12.153 7.351 85 HZ1 LYS 12 3HZ LYS 12 8.359 -12.793 9.400 86 HZ2 LYS 12 1HZ LYS 12 7.680 -11.452 10.184 87 HZ3 LYS 12 2HZ LYS 12 8.707 -11.227 8.851 88 H GLU 13 H GLU 13 1.172 -9.444 7.243 89 HA GLU 13 HA GLU 13 0.696 -12.200 7.005 90 HB2 GLU 13 1HB GLU 13 -1.311 -9.983 7.450 91 HB3 GLU 13 2HB GLU 13 -1.592 -11.691 7.758 92 HG2 GLU 13 1HG GLU 13 0.156 -11.676 9.455 93 HG3 GLU 13 2HG GLU 13 0.444 -9.965 9.143 94 H TRP 14 H TRP 14 -0.655 -9.473 5.213 95 HA TRP 14 HA TRP 14 -2.217 -10.980 3.419 96 HB2 TRP 14 1HB TRP 14 -2.693 -8.665 3.695 97 HB3 TRP 14 2HB TRP 14 -1.037 -8.204 3.326 98 HD1 TRP 14 HD1 TRP 14 -4.283 -9.327 1.605 99 HE1 TRP 14 HE1 TRP 14 -4.139 -8.662 -0.879 100 HE3 TRP 14 HE3 TRP 14 0.568 -7.748 1.475 101 HZ2 TRP 14 HZ2 TRP 14 -2.201 -7.618 -2.664 102 HZ3 TRP 14 HZ3 TRP 14 1.494 -6.929 -0.644 103 HH2 TRP 14 HH2 TRP 14 0.133 -6.868 -2.675 104 H TYR 15 H TYR 15 1.088 -9.747 3.236 105 HA TYR 15 HA TYR 15 1.681 -10.468 0.603 106 HB2 TYR 15 1HB TYR 15 3.219 -9.023 1.580 107 HB3 TYR 15 2HB TYR 15 3.332 -9.975 3.054 108 HD1 TYR 15 HD2 TYR 15 4.115 -10.260 -0.597 109 HD2 TYR 15 HD1 TYR 15 5.215 -11.250 3.392 110 HE1 TYR 15 HE2 TYR 15 6.153 -11.355 -1.433 111 HE2 TYR 15 HE1 TYR 15 7.254 -12.343 2.568 112 HH TYR 15 HH TYR 15 8.354 -12.005 -0.650 113 H GLU 16 H GLU 16 2.306 -12.295 3.618 114 HA GLU 16 HA GLU 16 3.443 -14.496 2.235 115 HB2 GLU 16 1HB GLU 16 2.320 -14.291 5.029 116 HB3 GLU 16 2HB GLU 16 3.171 -15.702 4.409 117 HG2 GLU 16 1HG GLU 16 5.078 -14.072 3.884 118 HG3 GLU 16 2HG GLU 16 4.234 -12.964 4.967 119 H HIS 17 H HIS 17 0.208 -13.576 2.945 120 HA HIS 17 HA HIS 17 -0.996 -16.130 2.470 121 HB2 HIS 17 1HB HIS 17 -1.951 -13.958 3.607 122 HB3 HIS 17 2HB HIS 17 -2.386 -13.513 1.963 123 HD1 HIS 17 HD1 HIS 17 -4.009 -15.328 0.713 124 HD2 HIS 17 HD2 HIS 17 -3.754 -15.527 4.861 125 HE1 HIS 17 HE1 HIS 17 -6.003 -16.668 1.455 126 HE2 HIS 17 HE2 HIS 17 -5.937 -16.603 3.967 127 H LYS 18 H LYS 18 -0.496 -13.194 0.539 128 HA LYS 18 HA LYS 18 -1.523 -14.278 -1.887 129 HB2 LYS 18 1HB LYS 18 0.161 -11.869 -1.242 130 HB3 LYS 18 2HB LYS 18 -0.263 -12.286 -2.895 131 HG2 LYS 18 1HG LYS 18 -2.276 -11.791 -0.713 132 HG3 LYS 18 2HG LYS 18 -1.720 -10.563 -1.852 133 HD2 LYS 18 1HD LYS 18 -2.445 -12.202 -3.684 134 HD3 LYS 18 2HD LYS 18 -3.312 -13.051 -2.403 135 HE2 LYS 18 1HE LYS 18 -3.682 -10.153 -3.151 136 HE3 LYS 18 2HE LYS 18 -4.751 -11.473 -3.619 137 HZ1 LYS 18 3HZ LYS 18 -4.191 -10.686 -0.815 138 HZ2 LYS 18 1HZ LYS 18 -5.313 -11.845 -1.333 139 HZ3 LYS 18 2HZ LYS 18 -5.557 -10.203 -1.691 140 H LYS 19 H LYS 19 1.468 -14.573 -0.272 141 HA LYS 19 HA LYS 19 3.236 -15.005 -2.401 142 HB2 LYS 19 1HB LYS 19 4.037 -14.644 -0.148 143 HB3 LYS 19 2HB LYS 19 3.216 -16.084 0.424 144 HG2 LYS 19 1HG LYS 19 4.725 -17.502 -0.756 145 HG3 LYS 19 2HG LYS 19 5.450 -16.126 -1.587 146 HD2 LYS 19 1HD LYS 19 6.840 -16.964 0.276 147 HD3 LYS 19 2HD LYS 19 6.346 -15.286 0.494 148 HE2 LYS 19 1HE LYS 19 4.535 -16.049 1.993 149 HE3 LYS 19 2HE LYS 19 5.113 -17.706 1.812 150 HZ1 LYS 19 3HZ LYS 19 6.862 -15.532 2.812 151 HZ2 LYS 19 1HZ LYS 19 7.099 -17.203 2.930 152 HZ3 LYS 19 2HZ LYS 19 5.892 -16.453 3.856 153 H GLN 20 H GLN 20 0.692 -16.949 -1.136 154 HA GLN 20 HA GLN 20 1.710 -19.377 -2.377 155 HB2 GLN 20 1HB GLN 20 -0.894 -18.880 -0.926 156 HB3 GLN 20 2HB GLN 20 -0.282 -20.447 -1.441 157 HG2 GLN 20 1HG GLN 20 1.688 -20.095 0.024 158 HG3 GLN 20 2HG GLN 20 0.925 -18.622 0.618 159 HE21 GLN 20 2HE2 GLN 20 1.688 -21.048 2.020 160 HE22 GLN 20 1HE2 GLN 20 0.245 -21.637 2.784 161 H VAL 21 H VAL 21 0.314 -16.694 -3.502 162 HA VAL 21 HA VAL 21 -1.314 -18.107 -5.505 163 HB VAL 21 HB VAL 21 -1.408 -15.177 -4.756 164 HG11 VAL 21 1HG1 VAL 21 -3.149 -16.786 -6.616 165 HG12 VAL 21 2HG1 VAL 21 -1.988 -15.544 -7.085 166 HG13 VAL 21 3HG1 VAL 21 -3.422 -15.107 -6.154 167 HG21 VAL 21 3HG2 VAL 21 -3.620 -15.721 -3.799 168 HG22 VAL 21 1HG2 VAL 21 -2.300 -16.542 -2.967 169 HG23 VAL 21 2HG2 VAL 21 -3.308 -17.429 -4.110 170 H TRP 22 H TRP 22 0.962 -15.428 -5.091 171 HA TRP 22 HA TRP 22 1.518 -15.282 -7.922 172 HB2 TRP 22 1HB TRP 22 2.954 -13.963 -5.606 173 HB3 TRP 22 2HB TRP 22 3.160 -13.570 -7.306 174 HD1 TRP 22 HD1 TRP 22 0.072 -13.369 -8.120 175 HE1 TRP 22 HE1 TRP 22 -1.306 -11.361 -7.270 176 HE3 TRP 22 HE3 TRP 22 2.982 -12.028 -4.142 177 HZ2 TRP 22 HZ2 TRP 22 -1.161 -9.463 -5.189 178 HZ3 TRP 22 HZ3 TRP 22 2.299 -10.102 -2.776 179 HH2 TRP 22 HH2 TRP 22 0.269 -8.845 -3.290 180 H SER 23 H SER 23 3.853 -15.308 -8.630 181 HA SER 23 HA SER 23 5.150 -17.732 -7.871 182 HB2 SER 23 1HB SER 23 6.203 -15.425 -9.529 183 HB3 SER 23 2HB SER 23 6.865 -17.060 -9.473 184 HG SER 23 HG SER 23 4.767 -17.772 -10.248 185 H VAL 24 H VAL 24 7.020 -17.996 -6.659 186 HA VAL 24 HA VAL 24 7.273 -16.402 -4.408 187 HB VAL 24 HB VAL 24 8.035 -18.741 -4.533 188 HG11 VAL 24 1HG1 VAL 24 10.265 -19.260 -5.422 189 HG12 VAL 24 2HG1 VAL 24 10.375 -17.617 -6.060 190 HG13 VAL 24 3HG1 VAL 24 9.149 -18.724 -6.681 191 HG21 VAL 24 3HG2 VAL 24 8.750 -17.346 -2.681 192 HG22 VAL 24 1HG2 VAL 24 10.149 -16.803 -3.610 193 HG23 VAL 24 2HG2 VAL 24 10.015 -18.493 -3.121 194 H GLY 25 H GLY 25 9.284 -16.334 -7.360 195 HA2 GLY 25 1HA GLY 25 11.132 -14.419 -6.394 196 HA3 GLY 25 2HA GLY 25 10.833 -14.800 -8.085 197 H TYR 26 H TYR 26 8.125 -14.147 -8.192 198 HA TYR 26 HA TYR 26 8.201 -11.359 -8.599 199 HB2 TYR 26 1HB TYR 26 6.702 -12.787 -9.880 200 HB3 TYR 26 2HB TYR 26 5.849 -13.255 -8.414 201 HD1 TYR 26 HD2 TYR 26 6.591 -10.357 -10.612 202 HD2 TYR 26 HD1 TYR 26 4.034 -11.981 -7.624 203 HE1 TYR 26 HE2 TYR 26 5.034 -8.480 -10.930 204 HE2 TYR 26 HE1 TYR 26 2.470 -10.109 -7.936 205 HH TYR 26 HH TYR 26 2.529 -8.084 -10.564 206 H ALA 27 H ALA 27 6.708 -13.366 -6.083 207 HA ALA 27 HA ALA 27 5.447 -11.313 -4.663 208 HB1 ALA 27 3HB ALA 27 6.526 -13.914 -3.582 209 HB2 ALA 27 1HB ALA 27 4.949 -13.690 -4.341 210 HB3 ALA 27 2HB ALA 27 5.314 -12.886 -2.816 211 H THR 28 H THR 28 8.665 -12.773 -4.187 212 HA THR 28 HA THR 28 9.419 -11.341 -1.925 213 HB THR 28 HB THR 28 11.229 -12.227 -4.180 214 HG1 THR 28 HG1 THR 28 11.168 -14.193 -3.290 215 HG21 THR 28 3HG2 THR 28 12.327 -10.699 -2.619 216 HG22 THR 28 1HG2 THR 28 12.948 -12.338 -2.431 217 HG23 THR 28 2HG2 THR 28 11.798 -11.692 -1.261 218 H GLU 29 H GLU 29 9.985 -10.485 -5.358 219 HA GLU 29 HA GLU 29 11.258 -8.033 -4.580 220 HB2 GLU 29 1HB GLU 29 10.480 -9.109 -7.286 221 HB3 GLU 29 2HB GLU 29 11.317 -7.578 -7.043 222 HG2 GLU 29 1HG GLU 29 13.082 -8.881 -5.798 223 HG3 GLU 29 2HG GLU 29 12.298 -10.341 -6.398 224 H LEU 30 H LEU 30 8.023 -8.986 -5.418 225 HA LEU 30 HA LEU 30 6.945 -6.430 -5.910 226 HB2 LEU 30 1HB LEU 30 5.613 -8.383 -6.349 227 HB3 LEU 30 2HB LEU 30 5.727 -8.904 -4.681 228 HG LEU 30 HG LEU 30 4.447 -6.266 -5.155 229 HD11 LEU 30 1HD1 LEU 30 3.499 -7.574 -6.964 230 HD12 LEU 30 2HD1 LEU 30 2.302 -7.311 -5.695 231 HD13 LEU 30 3HD1 LEU 30 3.105 -8.875 -5.839 232 HD21 LEU 30 3HD2 LEU 30 3.785 -8.627 -3.394 233 HD22 LEU 30 1HD2 LEU 30 2.975 -7.060 -3.370 234 HD23 LEU 30 2HD2 LEU 30 4.671 -7.183 -2.904 235 H ALA 31 H ALA 31 7.352 -8.276 -2.916 236 HA ALA 31 HA ALA 31 6.431 -6.241 -1.187 237 HB1 ALA 31 3HB ALA 31 8.353 -8.503 -0.624 238 HB2 ALA 31 1HB ALA 31 6.595 -8.577 -0.484 239 HB3 ALA 31 2HB ALA 31 7.523 -7.529 0.589 240 H LYS 32 H LYS 32 9.610 -7.084 -2.468 241 HA LYS 32 HA LYS 32 11.193 -5.412 -0.913 242 HB2 LYS 32 1HB LYS 32 12.081 -7.151 -2.393 243 HB3 LYS 32 2HB LYS 32 11.600 -6.209 -3.797 244 HG2 LYS 32 1HG LYS 32 13.137 -4.421 -3.096 245 HG3 LYS 32 2HG LYS 32 13.653 -5.424 -1.739 246 HD2 LYS 32 1HD LYS 32 14.466 -7.122 -3.285 247 HD3 LYS 32 2HD LYS 32 13.901 -6.164 -4.655 248 HE2 LYS 32 1HE LYS 32 15.426 -4.347 -3.970 249 HE3 LYS 32 2HE LYS 32 16.032 -5.373 -2.671 250 HZ1 LYS 32 3HZ LYS 32 16.791 -6.961 -4.327 251 HZ2 LYS 32 1HZ LYS 32 17.481 -5.434 -4.598 252 HZ3 LYS 32 2HZ LYS 32 16.204 -5.976 -5.576 253 H MET 33 H MET 33 9.613 -4.679 -4.035 254 HA MET 33 HA MET 33 10.629 -2.003 -4.095 255 HB2 MET 33 1HB MET 33 9.036 -1.670 -5.978 256 HB3 MET 33 2HB MET 33 10.108 -3.043 -6.189 257 HG2 MET 33 1HG MET 33 8.145 -3.948 -6.881 258 HG3 MET 33 2HG MET 33 8.093 -4.374 -5.173 259 HE1 MET 33 3HE MET 33 5.618 -1.049 -7.185 260 HE2 MET 33 1HE MET 33 6.533 -2.282 -8.054 261 HE3 MET 33 2HE MET 33 7.384 -1.026 -7.152 262 H PHE 34 H PHE 34 7.710 -3.502 -2.884 263 HA PHE 34 HA PHE 34 6.275 -1.109 -2.334 264 HB2 PHE 34 1HB PHE 34 5.354 -3.478 -2.359 265 HB3 PHE 34 2HB PHE 34 6.130 -3.721 -0.800 266 HD1 PHE 34 HD1 PHE 34 5.337 -2.477 1.180 267 HD2 PHE 34 HD2 PHE 34 3.340 -2.244 -2.571 268 HE1 PHE 34 HE1 PHE 34 3.339 -1.577 2.299 269 HE2 PHE 34 HE2 PHE 34 1.342 -1.342 -1.457 270 HZ PHE 34 HZ PHE 34 1.339 -1.008 0.981 271 H ASP 35 H ASP 35 8.363 -3.201 -0.313 272 HA ASP 35 HA ASP 35 8.374 -1.609 1.986 273 HB2 ASP 35 1HB ASP 35 10.351 -3.576 0.861 274 HB3 ASP 35 2HB ASP 35 10.733 -2.664 2.315 275 H ASP 36 H ASP 36 10.398 -1.471 -0.899 276 HA ASP 36 HA ASP 36 12.354 0.259 0.131 277 HB2 ASP 36 1HB ASP 36 12.604 -1.090 -1.941 278 HB3 ASP 36 2HB ASP 36 11.495 0.012 -2.753 279 H ASP 37 H ASP 37 9.310 0.965 -1.542 280 HA ASP 37 HA ASP 37 9.945 3.820 -1.338 281 HB2 ASP 37 1HB ASP 37 7.961 2.310 -3.023 282 HB3 ASP 37 2HB ASP 37 7.902 4.063 -2.856 283 H ILE 38 H ILE 38 7.464 1.486 -0.352 284 HA ILE 38 HA ILE 38 5.703 3.499 0.679 285 HB ILE 38 HB ILE 38 5.721 0.499 0.848 286 HG12 ILE 38 1HG1 ILE 38 3.415 0.884 -0.172 287 HG13 ILE 38 2HG1 ILE 38 3.882 2.569 -0.348 288 HG21 ILE 38 1HG2 ILE 38 5.001 1.280 3.050 289 HG22 ILE 38 2HG2 ILE 38 3.672 0.540 2.159 290 HG23 ILE 38 3HG2 ILE 38 3.777 2.295 2.289 291 HD11 ILE 38 3HD1 ILE 38 4.170 1.329 -2.415 292 HD12 ILE 38 1HD1 ILE 38 5.273 0.220 -1.605 293 HD13 ILE 38 2HD1 ILE 38 5.718 1.915 -1.804 294 H LEU 39 H LEU 39 8.106 1.330 2.132 295 HA LEU 39 HA LEU 39 7.352 1.660 4.789 296 HB2 LEU 39 1HB LEU 39 9.768 0.708 3.420 297 HB3 LEU 39 2HB LEU 39 10.015 1.278 5.058 298 HG LEU 39 HG LEU 39 9.543 -1.232 4.676 299 HD11 LEU 39 1HD1 LEU 39 7.977 0.367 6.696 300 HD12 LEU 39 2HD1 LEU 39 9.631 -0.214 6.872 301 HD13 LEU 39 3HD1 LEU 39 8.297 -1.364 6.791 302 HD21 LEU 39 3HD2 LEU 39 6.729 -0.144 4.516 303 HD22 LEU 39 1HD2 LEU 39 7.178 -1.845 4.672 304 HD23 LEU 39 2HD2 LEU 39 7.601 -0.951 3.211 305 HA PRO 40 HA PRO 40 10.549 5.379 5.101 306 HB2 PRO 40 1HB PRO 40 10.271 6.356 2.307 307 HB3 PRO 40 2HB PRO 40 11.687 6.355 3.363 308 HG2 PRO 40 1HG PRO 40 11.500 4.624 1.358 309 HG3 PRO 40 2HG PRO 40 12.173 4.129 2.922 310 HD2 PRO 40 1HD PRO 40 9.466 3.602 1.770 311 HD3 PRO 40 2HD PRO 40 10.519 2.526 2.711 312 H ILE 41 H ILE 41 7.574 5.120 3.343 313 HA ILE 41 HA ILE 41 6.866 7.895 3.952 314 HB ILE 41 HB ILE 41 5.313 5.905 2.291 315 HG12 ILE 41 1HG1 ILE 41 7.476 6.359 1.245 316 HG13 ILE 41 2HG1 ILE 41 6.184 7.129 0.333 317 HG21 ILE 41 1HG2 ILE 41 5.062 8.900 2.555 318 HG22 ILE 41 2HG2 ILE 41 3.947 7.700 3.211 319 HG23 ILE 41 3HG2 ILE 41 4.123 7.876 1.464 320 HD11 ILE 41 3HD1 ILE 41 8.103 8.586 0.492 321 HD12 ILE 41 1HD1 ILE 41 8.064 8.484 2.252 322 HD13 ILE 41 2HD1 ILE 41 6.745 9.271 1.385 323 H ILE 42 H ILE 42 5.289 4.666 4.188 324 HA ILE 42 HA ILE 42 3.882 5.650 6.587 325 HB ILE 42 HB ILE 42 1.804 4.560 5.823 326 HG12 ILE 42 1HG1 ILE 42 2.778 4.516 3.016 327 HG13 ILE 42 2HG1 ILE 42 3.302 3.204 4.067 328 HG21 ILE 42 1HG2 ILE 42 1.158 6.272 4.198 329 HG22 ILE 42 2HG2 ILE 42 2.857 6.702 3.990 330 HG23 ILE 42 3HG2 ILE 42 2.068 6.947 5.550 331 HD11 ILE 42 3HD1 ILE 42 1.317 2.577 2.852 332 HD12 ILE 42 1HD1 ILE 42 0.461 3.986 3.480 333 HD13 ILE 42 2HD1 ILE 42 0.969 2.701 4.578 334 H GLY 43 H GLY 43 5.989 3.418 5.683 335 HA2 GLY 43 1HA GLY 43 4.759 0.918 5.986 336 HA3 GLY 43 2HA GLY 43 6.463 1.234 6.243 337 H GLY 44 H GLY 44 6.456 2.869 8.431 338 HA2 GLY 44 1HA GLY 44 5.894 0.862 10.452 339 HA3 GLY 44 2HA GLY 44 6.822 2.338 10.672 340 H LEU 45 H LEU 45 3.943 3.060 9.115 341 HA LEU 45 HA LEU 45 2.889 4.203 11.572 342 HB2 LEU 45 1HB LEU 45 1.884 4.399 8.729 343 HB3 LEU 45 2HB LEU 45 1.278 5.318 10.094 344 HG LEU 45 HG LEU 45 4.061 5.521 8.939 345 HD11 LEU 45 1HD1 LEU 45 1.724 7.417 8.820 346 HD12 LEU 45 2HD1 LEU 45 2.362 6.470 7.478 347 HD13 LEU 45 3HD1 LEU 45 3.345 7.737 8.210 348 HD21 LEU 45 3HD2 LEU 45 4.316 7.427 10.448 349 HD22 LEU 45 1HD2 LEU 45 4.039 5.931 11.342 350 HD23 LEU 45 2HD2 LEU 45 2.727 7.094 11.138 351 H GLU 46 H GLU 46 0.527 4.017 11.995 352 HA GLU 46 HA GLU 46 -0.318 1.256 11.792 353 HB2 GLU 46 1HB GLU 46 -1.579 3.667 13.096 354 HB3 GLU 46 2HB GLU 46 -2.289 2.058 13.117 355 HG2 GLU 46 1HG GLU 46 -0.341 1.202 14.297 356 HG3 GLU 46 2HG GLU 46 0.392 2.805 14.255 357 H ILE 47 H ILE 47 -1.984 0.482 10.580 358 HA ILE 47 HA ILE 47 -2.398 1.750 8.109 359 HB ILE 47 HB ILE 47 -2.521 -0.735 8.628 360 HG12 ILE 47 1HG1 ILE 47 -4.821 0.384 7.013 361 HG13 ILE 47 2HG1 ILE 47 -3.155 0.331 6.446 362 HG21 ILE 47 1HG2 ILE 47 -5.345 -0.008 9.410 363 HG22 ILE 47 2HG2 ILE 47 -4.093 -0.622 10.489 364 HG23 ILE 47 3HG2 ILE 47 -4.722 -1.645 9.198 365 HD11 ILE 47 3HD1 ILE 47 -3.177 -2.096 6.585 366 HD12 ILE 47 1HD1 ILE 47 -4.472 -1.501 5.548 367 HD13 ILE 47 2HD1 ILE 47 -4.836 -2.050 7.183 368 H GLN 48 H GLN 48 -4.115 1.979 11.091 369 HA GLN 48 HA GLN 48 -6.468 3.173 9.860 370 HB2 GLN 48 1HB GLN 48 -6.683 1.619 11.779 371 HB3 GLN 48 2HB GLN 48 -5.779 2.752 12.772 372 HG2 GLN 48 1HG GLN 48 -7.571 4.442 12.289 373 HG3 GLN 48 2HG GLN 48 -8.501 3.130 11.565 374 HE21 GLN 48 2HE2 GLN 48 -9.110 4.779 13.871 375 HE22 GLN 48 1HE2 GLN 48 -9.308 3.694 15.211 376 H ASP 49 H ASP 49 -3.430 4.153 10.849 377 HA ASP 49 HA ASP 49 -4.350 6.816 11.730 378 HB2 ASP 49 1HB ASP 49 -2.923 5.044 13.211 379 HB3 ASP 49 2HB ASP 49 -1.614 5.919 12.426 380 H ILE 50 H ILE 50 -3.567 5.620 9.023 381 HA ILE 50 HA ILE 50 -1.201 7.130 8.309 382 HB ILE 50 HB ILE 50 -3.055 5.436 6.631 383 HG12 ILE 50 1HG1 ILE 50 -0.229 4.939 7.590 384 HG13 ILE 50 2HG1 ILE 50 -1.676 4.219 8.290 385 HG21 ILE 50 1HG2 ILE 50 -1.332 5.607 4.877 386 HG22 ILE 50 2HG2 ILE 50 -0.470 6.787 5.865 387 HG23 ILE 50 3HG2 ILE 50 -2.078 7.162 5.243 388 HD11 ILE 50 3HD1 ILE 50 -0.528 2.672 6.806 389 HD12 ILE 50 1HD1 ILE 50 -0.701 3.814 5.474 390 HD13 ILE 50 2HD1 ILE 50 -2.132 3.075 6.194 391 H GLU 51 H GLU 51 -1.165 9.076 7.401 392 HA GLU 51 HA GLU 51 -3.575 10.602 7.213 393 HB2 GLU 51 1HB GLU 51 -0.755 11.292 6.370 394 HB3 GLU 51 2HB GLU 51 -2.089 12.432 6.497 395 HG2 GLU 51 1HG GLU 51 -2.227 11.911 8.916 396 HG3 GLU 51 2HG GLU 51 -0.794 10.897 8.738 397 HA PRO 52 HA PRO 52 -4.799 9.852 3.032 398 HB2 PRO 52 1HB PRO 52 -5.518 12.484 2.412 399 HB3 PRO 52 2HB PRO 52 -6.571 11.261 3.125 400 HG2 PRO 52 1HG PRO 52 -5.062 13.466 4.442 401 HG3 PRO 52 2HG PRO 52 -6.657 12.799 4.836 402 HD2 PRO 52 1HD PRO 52 -4.498 12.213 6.308 403 HD3 PRO 52 2HD PRO 52 -5.757 11.000 5.992 404 H MET 53 H MET 53 -2.850 12.768 3.642 405 HA MET 53 HA MET 53 -1.947 12.965 0.939 406 HB2 MET 53 1HB MET 53 -0.972 14.259 3.485 407 HB3 MET 53 2HB MET 53 -0.295 14.609 1.901 408 HG2 MET 53 1HG MET 53 -2.423 15.450 1.134 409 HG3 MET 53 2HG MET 53 -3.181 14.998 2.659 410 HE1 MET 53 3HE MET 53 -4.147 17.518 2.753 411 HE2 MET 53 1HE MET 53 -3.285 17.915 1.266 412 HE3 MET 53 2HE MET 53 -3.114 18.947 2.687 413 H GLN 54 H GLN 54 -0.876 11.180 3.703 414 HA GLN 54 HA GLN 54 1.802 10.767 2.781 415 HB2 GLN 54 1HB GLN 54 0.112 9.643 4.962 416 HB3 GLN 54 2HB GLN 54 1.544 8.749 4.467 417 HG2 GLN 54 1HG GLN 54 2.944 10.639 4.936 418 HG3 GLN 54 2HG GLN 54 1.537 11.630 5.318 419 HE21 GLN 54 2HE2 GLN 54 3.858 10.913 6.943 420 HE22 GLN 54 1HE2 GLN 54 3.222 10.172 8.371 421 H LEU 55 H LEU 55 -1.230 8.968 2.578 422 HA LEU 55 HA LEU 55 -0.142 6.732 1.223 423 HB2 LEU 55 1HB LEU 55 -2.418 6.898 2.316 424 HB3 LEU 55 2HB LEU 55 -2.935 7.837 0.931 425 HG LEU 55 HG LEU 55 -2.525 5.933 -0.546 426 HD11 LEU 55 1HD1 LEU 55 -0.676 4.895 0.626 427 HD12 LEU 55 2HD1 LEU 55 -1.984 3.732 0.417 428 HD13 LEU 55 3HD1 LEU 55 -1.728 4.497 1.984 429 HD21 LEU 55 3HD2 LEU 55 -4.185 5.183 1.859 430 HD22 LEU 55 1HD2 LEU 55 -4.323 4.499 0.240 431 HD23 LEU 55 2HD2 LEU 55 -4.724 6.195 0.516 432 H LEU 56 H LEU 56 -1.368 9.857 0.200 433 HA LEU 56 HA LEU 56 -1.134 9.403 -2.594 434 HB2 LEU 56 1HB LEU 56 -2.544 11.163 -1.570 435 HB3 LEU 56 2HB LEU 56 -1.102 12.000 -1.046 436 HG LEU 56 HG LEU 56 -2.383 12.812 -3.160 437 HD11 LEU 56 1HD1 LEU 56 -0.273 13.753 -2.374 438 HD12 LEU 56 2HD1 LEU 56 -0.323 13.655 -4.136 439 HD13 LEU 56 3HD1 LEU 56 0.610 12.476 -3.211 440 HD21 LEU 56 3HD2 LEU 56 -1.512 11.841 -5.249 441 HD22 LEU 56 1HD2 LEU 56 -2.507 10.710 -4.330 442 HD23 LEU 56 2HD2 LEU 56 -0.750 10.557 -4.309 443 H GLU 57 H GLU 57 1.082 10.414 -0.083 444 HA GLU 57 HA GLU 57 3.151 11.344 -1.771 445 HB2 GLU 57 1HB GLU 57 2.974 11.800 0.681 446 HB3 GLU 57 2HB GLU 57 3.414 10.126 0.984 447 HG2 GLU 57 1HG GLU 57 5.586 10.443 0.091 448 HG3 GLU 57 2HG GLU 57 5.159 12.031 -0.547 449 H VAL 58 H VAL 58 2.238 8.161 -0.601 450 HA VAL 58 HA VAL 58 4.462 6.721 -1.565 451 HB VAL 58 HB VAL 58 1.577 5.834 -1.325 452 HG11 VAL 58 1HG1 VAL 58 4.084 4.179 -1.631 453 HG12 VAL 58 2HG1 VAL 58 2.825 4.390 -2.847 454 HG13 VAL 58 3HG1 VAL 58 2.462 3.552 -1.340 455 HG21 VAL 58 3HG2 VAL 58 3.911 5.491 0.560 456 HG22 VAL 58 1HG2 VAL 58 2.297 4.823 0.791 457 HG23 VAL 58 2HG2 VAL 58 2.538 6.570 0.803 458 H ILE 59 H ILE 59 1.313 7.425 -3.054 459 HA ILE 59 HA ILE 59 1.888 6.366 -5.592 460 HB ILE 59 HB ILE 59 -0.087 8.373 -4.590 461 HG12 ILE 59 1HG1 ILE 59 -1.698 6.744 -5.557 462 HG13 ILE 59 2HG1 ILE 59 -0.339 5.733 -6.033 463 HG21 ILE 59 1HG2 ILE 59 -1.035 8.645 -6.828 464 HG22 ILE 59 2HG2 ILE 59 0.331 7.755 -7.504 465 HG23 ILE 59 3HG2 ILE 59 0.594 9.313 -6.717 466 HD11 ILE 59 3HD1 ILE 59 -1.345 4.898 -4.010 467 HD12 ILE 59 1HD1 ILE 59 -1.123 6.462 -3.221 468 HD13 ILE 59 2HD1 ILE 59 0.282 5.495 -3.673 469 H ARG 60 H ARG 60 2.426 9.566 -4.202 470 HA ARG 60 HA ARG 60 3.386 10.945 -6.426 471 HB2 ARG 60 1HB ARG 60 3.145 11.436 -3.705 472 HB3 ARG 60 2HB ARG 60 4.881 11.492 -3.970 473 HG2 ARG 60 1HG ARG 60 4.009 13.701 -4.182 474 HG3 ARG 60 2HG ARG 60 4.490 13.142 -5.787 475 HD2 ARG 60 1HD ARG 60 1.847 12.325 -5.516 476 HD3 ARG 60 2HD ARG 60 1.887 13.941 -4.812 477 HE ARG 60 HE ARG 60 2.877 14.696 -6.946 478 HH11 ARG 60 1HH1 ARG 60 1.057 11.709 -6.853 479 HH12 ARG 60 2HH1 ARG 60 0.725 11.702 -8.562 480 HH21 ARG 60 1HH2 ARG 60 2.408 14.726 -9.171 481 HH22 ARG 60 2HH2 ARG 60 1.492 13.420 -9.876 482 H ARG 61 H ARG 61 5.055 8.936 -4.081 483 HA ARG 61 HA ARG 61 7.680 9.151 -4.864 484 HB2 ARG 61 1HB ARG 61 6.875 7.967 -2.871 485 HB3 ARG 61 2HB ARG 61 6.204 6.703 -3.887 486 HG2 ARG 61 1HG ARG 61 8.205 5.849 -3.018 487 HG3 ARG 61 2HG ARG 61 8.550 6.273 -4.694 488 HD2 ARG 61 1HD ARG 61 9.763 8.180 -4.080 489 HD3 ARG 61 2HD ARG 61 9.120 8.167 -2.437 490 HE ARG 61 HE ARG 61 10.718 5.863 -3.239 491 HH11 ARG 61 1HH1 ARG 61 10.594 8.952 -1.583 492 HH12 ARG 61 2HH1 ARG 61 11.969 8.619 -0.586 493 HH21 ARG 61 1HH2 ARG 61 12.540 5.433 -1.921 494 HH22 ARG 61 2HH2 ARG 61 13.085 6.629 -0.782 495 H PHE 62 H PHE 62 5.253 6.835 -6.091 496 HA PHE 62 HA PHE 62 7.113 5.743 -7.993 497 HB2 PHE 62 1HB PHE 62 4.154 5.327 -7.589 498 HB3 PHE 62 2HB PHE 62 5.072 4.523 -8.858 499 HD1 PHE 62 HD1 PHE 62 6.925 2.966 -8.224 500 HD2 PHE 62 HD2 PHE 62 4.190 4.545 -5.369 501 HE1 PHE 62 HE1 PHE 62 7.547 1.177 -6.644 502 HE2 PHE 62 HE2 PHE 62 4.808 2.766 -3.790 503 HZ PHE 62 HZ PHE 62 6.484 1.080 -4.427 504 H GLU 63 H GLU 63 4.351 7.977 -8.195 505 HA GLU 63 HA GLU 63 4.169 7.993 -11.000 506 HB2 GLU 63 1HB GLU 63 2.379 8.845 -9.530 507 HB3 GLU 63 2HB GLU 63 3.398 10.214 -9.098 508 HG2 GLU 63 1HG GLU 63 3.453 10.848 -11.503 509 HG3 GLU 63 2HG GLU 63 2.292 9.565 -11.821 510 H ASP 64 H ASP 64 6.069 9.986 -8.783 511 HA ASP 64 HA ASP 64 6.827 11.922 -10.697 512 HB2 ASP 64 1HB ASP 64 6.998 12.268 -8.247 513 HB3 ASP 64 2HB ASP 64 8.333 11.121 -8.200 514 H ARG 65 H ARG 65 7.980 8.726 -10.057 515 HA ARG 65 HA ARG 65 10.435 9.123 -11.545 516 HB2 ARG 65 1HB ARG 65 9.198 6.562 -10.513 517 HB3 ARG 65 2HB ARG 65 10.804 6.713 -11.212 518 HG2 ARG 65 1HG ARG 65 11.199 8.441 -9.332 519 HG3 ARG 65 2HG ARG 65 9.785 7.699 -8.584 520 HD2 ARG 65 1HD ARG 65 12.314 6.273 -9.411 521 HD3 ARG 65 2HD ARG 65 11.861 6.701 -7.763 522 HE ARG 65 HE ARG 65 10.514 4.679 -9.436 523 HH11 ARG 65 1HH1 ARG 65 11.230 6.093 -6.314 524 HH12 ARG 65 2HH1 ARG 65 10.608 4.734 -5.409 525 HH21 ARG 65 1HH2 ARG 65 9.694 2.879 -8.239 526 HH22 ARG 65 2HH2 ARG 65 9.719 2.934 -6.493 527 H GLY 66 H GLY 66 7.209 8.652 -12.316 528 HA2 GLY 66 1HA GLY 66 6.485 8.691 -14.582 529 HA3 GLY 66 2HA GLY 66 7.976 7.884 -15.046 530 H ALA 67 H ALA 67 7.080 6.311 -12.384 531 HA ALA 67 HA ALA 67 6.094 4.061 -13.873 532 HB1 ALA 67 3HB ALA 67 6.163 2.895 -11.715 533 HB2 ALA 67 1HB ALA 67 6.535 4.420 -10.911 534 HB3 ALA 67 2HB ALA 67 7.680 3.727 -12.062 535 H MET 68 H MET 68 4.120 4.929 -14.652 536 HA MET 68 HA MET 68 2.129 5.988 -12.913 537 HB2 MET 68 1HB MET 68 2.379 6.440 -15.396 538 HB3 MET 68 2HB MET 68 1.684 4.851 -15.673 539 HG2 MET 68 1HG MET 68 -0.145 6.216 -15.888 540 HG3 MET 68 2HG MET 68 -0.262 5.724 -14.200 541 HE1 MET 68 3HE MET 68 1.874 7.498 -12.683 542 HE2 MET 68 1HE MET 68 0.205 7.289 -12.147 543 HE3 MET 68 2HE MET 68 0.895 8.909 -12.274 544 H GLU 69 H GLU 69 2.562 2.873 -14.534 545 HA GLU 69 HA GLU 69 0.201 1.653 -13.606 546 HB2 GLU 69 1HB GLU 69 2.834 0.308 -14.245 547 HB3 GLU 69 2HB GLU 69 1.253 -0.457 -14.205 548 HG2 GLU 69 1HG GLU 69 0.543 0.867 -16.109 549 HG3 GLU 69 2HG GLU 69 2.105 1.690 -16.133 550 H ARG 70 H ARG 70 3.461 1.850 -12.291 551 HA ARG 70 HA ARG 70 2.970 0.058 -10.125 552 HB2 ARG 70 1HB ARG 70 5.170 2.105 -10.455 553 HB3 ARG 70 2HB ARG 70 5.166 0.759 -9.320 554 HG2 ARG 70 1HG ARG 70 5.220 -0.832 -11.116 555 HG3 ARG 70 2HG ARG 70 5.029 0.449 -12.311 556 HD2 ARG 70 1HD ARG 70 7.211 1.398 -11.382 557 HD3 ARG 70 2HD ARG 70 7.405 -0.163 -10.581 558 HE ARG 70 HE ARG 70 6.833 -0.561 -13.312 559 HH11 ARG 70 1HH1 ARG 70 9.427 0.530 -11.223 560 HH12 ARG 70 2HH1 ARG 70 10.675 0.099 -12.350 561 HH21 ARG 70 1HH2 ARG 70 8.470 -1.138 -14.777 562 HH22 ARG 70 2HH2 ARG 70 10.134 -0.859 -14.363 563 H ALA 71 H ALA 71 2.798 3.562 -10.515 564 HA ALA 71 HA ALA 71 2.399 4.223 -7.800 565 HB1 ALA 71 3HB ALA 71 2.881 5.911 -9.507 566 HB2 ALA 71 1HB ALA 71 1.394 6.295 -8.636 567 HB3 ALA 71 2HB ALA 71 1.313 5.604 -10.258 568 H ASN 72 H ASN 72 0.129 3.446 -10.405 569 HA ASN 72 HA ASN 72 -2.197 3.565 -8.786 570 HB2 ASN 72 1HB ASN 72 -1.598 2.348 -11.472 571 HB3 ASN 72 2HB ASN 72 -3.154 2.085 -10.691 572 HD21 ASN 72 2HD2 ASN 72 -1.048 4.432 -12.176 573 HD22 ASN 72 1HD2 ASN 72 -2.247 5.673 -12.370 574 H LYS 73 H LYS 73 0.120 1.057 -9.536 575 HA LYS 73 HA LYS 73 -1.364 -1.112 -8.469 576 HB2 LYS 73 1HB LYS 73 0.628 -1.269 -10.025 577 HB3 LYS 73 2HB LYS 73 1.646 -0.913 -8.638 578 HG2 LYS 73 1HG LYS 73 1.612 -3.287 -9.026 579 HG3 LYS 73 2HG LYS 73 0.775 -2.929 -7.514 580 HD2 LYS 73 1HD LYS 73 -0.479 -4.579 -8.763 581 HD3 LYS 73 2HD LYS 73 -1.385 -3.065 -8.711 582 HE2 LYS 73 1HE LYS 73 -1.528 -3.943 -10.932 583 HE3 LYS 73 2HE LYS 73 -0.482 -2.526 -10.968 584 HZ1 LYS 73 3HZ LYS 73 1.418 -4.147 -10.797 585 HZ2 LYS 73 1HZ LYS 73 0.571 -4.159 -12.264 586 HZ3 LYS 73 2HZ LYS 73 0.302 -5.380 -11.116 587 H ALA 74 H ALA 74 0.892 1.225 -7.112 588 HA ALA 74 HA ALA 74 1.133 0.114 -4.544 589 HB1 ALA 74 3HB ALA 74 2.522 1.988 -5.375 590 HB2 ALA 74 1HB ALA 74 1.792 2.327 -3.806 591 HB3 ALA 74 2HB ALA 74 1.118 3.051 -5.265 592 H ARG 75 H ARG 75 -1.074 2.659 -5.728 593 HA ARG 75 HA ARG 75 -2.729 2.871 -3.517 594 HB2 ARG 75 1HB ARG 75 -2.912 4.390 -5.405 595 HB3 ARG 75 2HB ARG 75 -3.451 3.081 -6.448 596 HG2 ARG 75 1HG ARG 75 -5.457 2.831 -5.002 597 HG3 ARG 75 2HG ARG 75 -4.929 4.249 -4.099 598 HD2 ARG 75 1HD ARG 75 -5.135 5.634 -6.059 599 HD3 ARG 75 2HD ARG 75 -5.491 4.228 -7.063 600 HE ARG 75 HE ARG 75 -7.283 4.877 -4.837 601 HH11 ARG 75 1HH1 ARG 75 -6.719 4.850 -8.294 602 HH12 ARG 75 2HH1 ARG 75 -8.416 4.795 -8.687 603 HH21 ARG 75 1HH2 ARG 75 -9.523 4.850 -5.383 604 HH22 ARG 75 2HH2 ARG 75 -9.988 4.810 -7.055 605 H ARG 76 H ARG 76 -2.951 0.593 -6.231 606 HA ARG 76 HA ARG 76 -5.303 -0.718 -5.537 607 HB2 ARG 76 1HB ARG 76 -2.812 -1.692 -6.916 608 HB3 ARG 76 2HB ARG 76 -4.195 -2.741 -6.659 609 HG2 ARG 76 1HG ARG 76 -5.590 -1.153 -7.939 610 HG3 ARG 76 2HG ARG 76 -4.137 -0.200 -8.267 611 HD2 ARG 76 1HD ARG 76 -3.123 -2.041 -9.429 612 HD3 ARG 76 2HD ARG 76 -4.443 -3.113 -8.970 613 HE ARG 76 HE ARG 76 -4.469 -1.088 -11.057 614 HH11 ARG 76 1HH1 ARG 76 -6.260 -3.384 -9.132 615 HH12 ARG 76 2HH1 ARG 76 -7.585 -3.513 -10.244 616 HH21 ARG 76 1HH2 ARG 76 -6.203 -1.238 -12.553 617 HH22 ARG 76 2HH2 ARG 76 -7.561 -2.261 -12.196 618 H ARG 77 H ARG 77 -1.969 -1.668 -4.685 619 HA ARG 77 HA ARG 77 -2.880 -3.890 -3.157 620 HB2 ARG 77 1HB ARG 77 -0.161 -2.581 -3.260 621 HB3 ARG 77 2HB ARG 77 -0.512 -4.121 -2.483 622 HG2 ARG 77 1HG ARG 77 -1.267 -5.001 -4.674 623 HG3 ARG 77 2HG ARG 77 -0.761 -3.480 -5.414 624 HD2 ARG 77 1HD ARG 77 0.952 -5.541 -4.050 625 HD3 ARG 77 2HD ARG 77 1.008 -5.026 -5.737 626 HE ARG 77 HE ARG 77 1.610 -3.099 -3.615 627 HH11 ARG 77 1HH1 ARG 77 2.630 -4.944 -6.413 628 HH12 ARG 77 2HH1 ARG 77 4.162 -4.140 -6.530 629 HH21 ARG 77 1HH2 ARG 77 3.604 -2.028 -3.787 630 HH22 ARG 77 2HH2 ARG 77 4.719 -2.479 -5.035 631 H CYS 78 H CYS 78 -1.935 -0.588 -2.340 632 HA CYS 78 HA CYS 78 -1.927 -0.914 0.449 633 HB2 CYS 78 1HB CYS 78 -2.623 1.486 -1.249 634 HB3 CYS 78 2HB CYS 78 -2.502 1.539 0.508 635 HG CYS 78 HG CYS 78 0.013 1.984 0.573 636 H GLY 79 H GLY 79 -4.574 0.055 -1.745 637 HA2 GLY 79 1HA GLY 79 -6.610 0.105 0.199 638 HA3 GLY 79 2HA GLY 79 -6.853 -0.144 -1.523 639 H GLU 80 H GLU 80 -5.263 -2.500 -1.704 640 HA GLU 80 HA GLU 80 -7.083 -4.528 -1.028 641 HB2 GLU 80 1HB GLU 80 -5.573 -4.838 -2.847 642 HB3 GLU 80 2HB GLU 80 -4.175 -4.544 -1.829 643 HG2 GLU 80 1HG GLU 80 -4.286 -6.861 -2.340 644 HG3 GLU 80 2HG GLU 80 -4.654 -6.642 -0.634 645 H VAL 81 H VAL 81 -4.091 -3.432 0.559 646 HA VAL 81 HA VAL 81 -4.223 -5.327 2.686 647 HB VAL 81 HB VAL 81 -2.790 -2.660 2.581 648 HG11 VAL 81 1HG1 VAL 81 -2.453 -4.972 4.492 649 HG12 VAL 81 2HG1 VAL 81 -3.112 -3.383 4.882 650 HG13 VAL 81 3HG1 VAL 81 -1.419 -3.545 4.415 651 HG21 VAL 81 3HG2 VAL 81 -1.803 -5.460 2.044 652 HG22 VAL 81 1HG2 VAL 81 -0.793 -4.016 2.110 653 HG23 VAL 81 2HG2 VAL 81 -2.018 -4.179 0.852 654 H PHE 82 H PHE 82 -5.326 -1.966 2.319 655 HA PHE 82 HA PHE 82 -6.364 -1.565 4.874 656 HB2 PHE 82 1HB PHE 82 -7.221 -0.550 2.173 657 HB3 PHE 82 2HB PHE 82 -8.124 -0.128 3.623 658 HD1 PHE 82 HD2 PHE 82 -6.553 0.743 5.609 659 HD2 PHE 82 HD1 PHE 82 -5.635 0.941 1.460 660 HE1 PHE 82 HE2 PHE 82 -5.004 2.604 6.042 661 HE2 PHE 82 HE1 PHE 82 -4.087 2.802 1.886 662 HZ PHE 82 HZ PHE 82 -3.768 3.637 4.179 663 H ARG 83 H ARG 83 -7.847 -3.084 2.043 664 HA ARG 83 HA ARG 83 -10.344 -3.687 3.151 665 HB2 ARG 83 1HB ARG 83 -9.792 -3.904 0.748 666 HB3 ARG 83 2HB ARG 83 -8.762 -5.279 1.120 667 HG2 ARG 83 1HG ARG 83 -10.819 -6.124 0.295 668 HG3 ARG 83 2HG ARG 83 -10.779 -6.441 2.031 669 HD2 ARG 83 1HD ARG 83 -12.107 -4.345 2.353 670 HD3 ARG 83 2HD ARG 83 -12.280 -4.257 0.602 671 HE ARG 83 HE ARG 83 -13.368 -6.405 2.298 672 HH11 ARG 83 1HH1 ARG 83 -13.378 -4.581 -0.695 673 HH12 ARG 83 2HH1 ARG 83 -14.921 -5.193 -1.199 674 HH21 ARG 83 1HH2 ARG 83 -15.372 -7.232 1.624 675 HH22 ARG 83 2HH2 ARG 83 -16.067 -6.693 0.116 676 H TYR 84 H TYR 84 -7.309 -5.489 3.141 677 HA TYR 84 HA TYR 84 -8.246 -7.845 4.355 678 HB2 TYR 84 1HB TYR 84 -5.990 -7.308 3.163 679 HB3 TYR 84 2HB TYR 84 -5.457 -6.802 4.760 680 HD1 TYR 84 HD2 TYR 84 -6.613 -9.660 2.748 681 HD2 TYR 84 HD1 TYR 84 -4.926 -8.422 6.454 682 HE1 TYR 84 HE2 TYR 84 -6.067 -11.996 3.271 683 HE2 TYR 84 HE1 TYR 84 -4.369 -10.761 6.985 684 HH TYR 84 HH TYR 84 -5.105 -13.020 6.373 685 H ALA 85 H ALA 85 -6.994 -4.832 5.686 686 HA ALA 85 HA ALA 85 -6.870 -5.674 8.389 687 HB1 ALA 85 3HB ALA 85 -5.645 -3.732 7.564 688 HB2 ALA 85 1HB ALA 85 -6.686 -3.303 8.922 689 HB3 ALA 85 2HB ALA 85 -7.168 -2.889 7.278 690 H ILE 86 H ILE 86 -9.435 -4.310 6.414 691 HA ILE 86 HA ILE 86 -11.235 -3.824 8.574 692 HB ILE 86 HB ILE 86 -11.800 -4.213 5.625 693 HG12 ILE 86 1HG1 ILE 86 -11.560 -1.696 7.292 694 HG13 ILE 86 2HG1 ILE 86 -10.343 -2.287 6.166 695 HG21 ILE 86 1HG2 ILE 86 -13.963 -3.161 6.062 696 HG22 ILE 86 2HG2 ILE 86 -13.589 -3.101 7.786 697 HG23 ILE 86 3HG2 ILE 86 -13.788 -4.657 6.981 698 HD11 ILE 86 3HD1 ILE 86 -13.129 -1.411 5.440 699 HD12 ILE 86 1HD1 ILE 86 -11.891 -1.972 4.317 700 HD13 ILE 86 2HD1 ILE 86 -11.654 -0.473 5.215 701 H VAL 87 H VAL 87 -10.568 -6.548 6.467 702 HA VAL 87 HA VAL 87 -12.801 -8.121 7.257 703 HB VAL 87 HB VAL 87 -10.172 -8.981 6.034 704 HG11 VAL 87 1HG1 VAL 87 -11.366 -11.016 5.363 705 HG12 VAL 87 2HG1 VAL 87 -12.779 -10.481 6.271 706 HG13 VAL 87 3HG1 VAL 87 -11.279 -10.858 7.117 707 HG21 VAL 87 3HG2 VAL 87 -11.420 -9.024 3.929 708 HG22 VAL 87 1HG2 VAL 87 -11.406 -7.409 4.638 709 HG23 VAL 87 2HG2 VAL 87 -12.850 -8.414 4.764 710 H THR 88 H THR 88 -9.446 -7.913 8.360 711 HA THR 88 HA THR 88 -9.770 -10.075 10.230 712 HB THR 88 HB THR 88 -7.576 -9.606 9.196 713 HG1 THR 88 HG1 THR 88 -7.734 -10.624 11.303 714 HG21 THR 88 3HG2 THR 88 -7.620 -7.113 10.892 715 HG22 THR 88 1HG2 THR 88 -7.679 -7.175 9.132 716 HG23 THR 88 2HG2 THR 88 -6.232 -7.713 9.983 717 H GLY 89 H GLY 89 -10.746 -6.877 10.223 718 HA2 GLY 89 1HA GLY 89 -11.929 -5.756 11.866 719 HA3 GLY 89 2HA GLY 89 -11.560 -7.066 12.975 720 H ARG 90 H ARG 90 -9.258 -5.073 11.176 721 HA ARG 90 HA ARG 90 -8.201 -4.119 13.751 722 HB2 ARG 90 1HB ARG 90 -6.968 -4.358 11.015 723 HB3 ARG 90 2HB ARG 90 -6.240 -3.368 12.273 724 HG2 ARG 90 1HG ARG 90 -6.032 -5.327 13.707 725 HG3 ARG 90 2HG ARG 90 -6.780 -6.325 12.455 726 HD2 ARG 90 1HD ARG 90 -4.962 -5.910 10.955 727 HD3 ARG 90 2HD ARG 90 -4.261 -4.725 12.054 728 HE ARG 90 HE ARG 90 -3.878 -6.639 13.599 729 HH11 ARG 90 1HH1 ARG 90 -4.236 -7.218 10.162 730 HH12 ARG 90 2HH1 ARG 90 -3.248 -8.651 10.168 731 HH21 ARG 90 1HH2 ARG 90 -2.560 -8.503 13.596 732 HH22 ARG 90 2HH2 ARG 90 -2.283 -9.367 12.108 733 H ALA 91 H ALA 91 -9.367 -3.074 10.616 734 HA ALA 91 HA ALA 91 -9.576 -0.332 11.668 735 HB1 ALA 91 3HB ALA 91 -8.902 -1.140 8.838 736 HB2 ALA 91 1HB ALA 91 -7.796 -0.413 10.006 737 HB3 ALA 91 2HB ALA 91 -9.172 0.510 9.400 738 H LYS 92 H LYS 92 -11.527 0.626 11.428 739 HA LYS 92 HA LYS 92 -13.659 -0.951 10.191 740 HB2 LYS 92 1HB LYS 92 -14.001 -0.075 12.486 741 HB3 LYS 92 2HB LYS 92 -13.813 1.563 11.873 742 HG2 LYS 92 1HG LYS 92 -15.795 1.223 10.448 743 HG3 LYS 92 2HG LYS 92 -16.007 -0.375 11.167 744 HD2 LYS 92 1HD LYS 92 -16.288 0.637 13.364 745 HD3 LYS 92 2HD LYS 92 -16.016 2.240 12.676 746 HE2 LYS 92 1HE LYS 92 -18.301 0.372 12.054 747 HE3 LYS 92 2HE LYS 92 -18.388 1.863 12.991 748 HZ1 LYS 92 3HZ LYS 92 -17.907 1.552 10.084 749 HZ2 LYS 92 1HZ LYS 92 -17.553 2.997 10.905 750 HZ3 LYS 92 2HZ LYS 92 -19.143 2.415 10.865 751 H TYR 93 H TYR 93 -11.973 2.098 9.987 752 HA TYR 93 HA TYR 93 -13.229 2.585 7.372 753 HB2 TYR 93 1HB TYR 93 -14.081 4.258 8.896 754 HB3 TYR 93 2HB TYR 93 -12.458 4.616 9.478 755 HD1 TYR 93 HD1 TYR 93 -14.534 4.696 6.382 756 HD2 TYR 93 HD2 TYR 93 -11.236 6.349 8.504 757 HE1 TYR 93 HE1 TYR 93 -14.311 6.440 4.671 758 HE2 TYR 93 HE2 TYR 93 -11.008 8.100 6.792 759 HH TYR 93 HH TYR 93 -11.597 8.575 4.537 760 H ASN 94 H ASN 94 -11.882 2.987 5.728 761 HA ASN 94 HA ASN 94 -9.018 3.275 6.343 762 HB2 ASN 94 1HB ASN 94 -8.537 2.076 4.247 763 HB3 ASN 94 2HB ASN 94 -9.489 1.084 5.343 764 HD21 ASN 94 2HD2 ASN 94 -9.162 0.894 2.458 765 HD22 ASN 94 1HD2 ASN 94 -10.753 0.991 1.792 766 HA PRO 95 HA PRO 95 -9.415 7.114 4.182 767 HB2 PRO 95 1HB PRO 95 -6.794 7.715 3.912 768 HB3 PRO 95 2HB PRO 95 -7.634 7.793 5.464 769 HG2 PRO 95 1HG PRO 95 -5.829 5.672 4.391 770 HG3 PRO 95 2HG PRO 95 -5.935 6.331 6.033 771 HD2 PRO 95 1HD PRO 95 -7.052 3.954 5.260 772 HD3 PRO 95 2HD PRO 95 -7.655 4.941 6.605 773 H ALA 96 H ALA 96 -9.442 4.621 2.563 774 HA ALA 96 HA ALA 96 -7.782 4.935 0.292 775 HB1 ALA 96 3HB ALA 96 -8.883 2.813 0.861 776 HB2 ALA 96 1HB ALA 96 -9.217 3.317 -0.795 777 HB3 ALA 96 2HB ALA 96 -10.444 3.526 0.455 778 HA PRO 97 HA PRO 97 -11.607 7.357 -1.617 779 HB2 PRO 97 1HB PRO 97 -13.079 8.663 0.314 780 HB3 PRO 97 2HB PRO 97 -13.578 7.164 -0.476 781 HG2 PRO 97 1HG PRO 97 -12.261 7.564 2.182 782 HG3 PRO 97 2HG PRO 97 -13.578 6.462 1.737 783 HD2 PRO 97 1HD PRO 97 -11.069 5.580 2.020 784 HD3 PRO 97 2HD PRO 97 -12.135 4.933 0.754 785 H ASP 98 H ASP 98 -10.077 8.293 1.425 786 HA ASP 98 HA ASP 98 -9.898 11.065 0.880 787 HB2 ASP 98 1HB ASP 98 -8.233 9.319 2.705 788 HB3 ASP 98 2HB ASP 98 -8.150 11.077 2.664 789 H LEU 99 H LEU 99 -7.854 8.321 0.156 790 HA LEU 99 HA LEU 99 -5.582 9.594 -0.813 791 HB2 LEU 99 1HB LEU 99 -5.836 7.153 -0.505 792 HB3 LEU 99 2HB LEU 99 -6.932 7.100 -1.867 793 HG LEU 99 HG LEU 99 -4.523 6.314 -2.229 794 HD11 LEU 99 1HD1 LEU 99 -4.442 7.178 -4.495 795 HD12 LEU 99 2HD1 LEU 99 -5.625 8.418 -4.081 796 HD13 LEU 99 3HD1 LEU 99 -6.089 6.717 -4.062 797 HD21 LEU 99 3HD2 LEU 99 -4.059 9.288 -2.268 798 HD22 LEU 99 1HD2 LEU 99 -2.906 8.055 -2.782 799 HD23 LEU 99 2HD2 LEU 99 -3.407 8.146 -1.092 800 H ALA 100 H ALA 100 -8.621 8.815 -2.462 801 HA ALA 100 HA ALA 100 -7.867 9.819 -4.993 802 HB1 ALA 100 3HB ALA 100 -9.734 8.258 -4.673 803 HB2 ALA 100 1HB ALA 100 -10.233 9.709 -5.541 804 HB3 ALA 100 2HB ALA 100 -10.638 9.520 -3.838 805 H ASP 101 H ASP 101 -9.497 11.258 -2.218 806 HA ASP 101 HA ASP 101 -10.120 13.722 -3.457 807 HB2 ASP 101 1HB ASP 101 -11.189 12.893 -1.362 808 HB3 ASP 101 2HB ASP 101 -9.677 13.198 -0.512 809 H ALA 102 H ALA 102 -7.361 12.624 -1.562 810 HA ALA 102 HA ALA 102 -6.029 15.122 -1.443 811 HB1 ALA 102 3HB ALA 102 -5.473 13.320 0.082 812 HB2 ALA 102 1HB ALA 102 -4.045 13.814 -0.826 813 HB3 ALA 102 2HB ALA 102 -4.898 12.331 -1.261 814 H MET 103 H MET 103 -5.827 12.402 -3.706 815 HA MET 103 HA MET 103 -3.725 13.447 -5.284 816 HB2 MET 103 1HB MET 103 -4.495 11.081 -5.332 817 HB3 MET 103 2HB MET 103 -5.966 11.602 -6.141 818 HG2 MET 103 1HG MET 103 -4.550 12.484 -7.993 819 HG3 MET 103 2HG MET 103 -3.154 11.754 -7.199 820 HE1 MET 103 3HE MET 103 -2.785 9.167 -6.916 821 HE2 MET 103 1HE MET 103 -3.968 7.946 -7.381 822 HE3 MET 103 2HE MET 103 -4.314 9.047 -6.048 823 H LYS 104 H LYS 104 -7.210 13.803 -5.395 824 HA LYS 104 HA LYS 104 -7.357 15.291 -7.806 825 HB2 LYS 104 1HB LYS 104 -9.311 14.181 -7.009 826 HB3 LYS 104 2HB LYS 104 -9.197 14.968 -5.443 827 HG2 LYS 104 1HG LYS 104 -9.588 17.151 -6.700 828 HG3 LYS 104 2HG LYS 104 -10.068 16.134 -8.063 829 HD2 LYS 104 1HD LYS 104 -12.002 16.823 -6.708 830 HD3 LYS 104 2HD LYS 104 -11.779 15.072 -6.693 831 HE2 LYS 104 1HE LYS 104 -10.520 15.358 -4.534 832 HE3 LYS 104 2HE LYS 104 -11.038 17.040 -4.535 833 HZ1 LYS 104 3HZ LYS 104 -12.862 14.696 -4.562 834 HZ2 LYS 104 1HZ LYS 104 -13.324 16.328 -4.464 835 HZ3 LYS 104 2HZ LYS 104 -12.467 15.605 -3.186 836 H GLY 105 H GLY 105 -7.240 16.202 -4.397 837 HA2 GLY 105 1HA GLY 105 -7.513 19.009 -4.929 838 HA3 GLY 105 2HA GLY 105 -7.149 18.273 -3.377 839 H TYR 106 H TYR 106 -4.885 16.871 -5.052 840 HA TYR 106 HA TYR 106 -2.806 18.535 -4.140 841 HB2 TYR 106 1HB TYR 106 -2.537 16.108 -4.455 842 HB3 TYR 106 2HB TYR 106 -2.700 16.313 -6.196 843 HD1 TYR 106 HD1 TYR 106 -0.563 17.217 -3.292 844 HD2 TYR 106 HD2 TYR 106 -0.832 16.809 -7.520 845 HE1 TYR 106 HE1 TYR 106 1.864 17.591 -3.480 846 HE2 TYR 106 HE2 TYR 106 1.587 17.177 -7.715 847 HH TYR 106 HH TYR 106 3.363 18.397 -6.300 848 H ARG 107 H ARG 107 -4.663 18.562 -7.039 849 HA ARG 107 HA ARG 107 -2.776 19.928 -8.685 850 HB2 ARG 107 1HB ARG 107 -5.749 19.511 -8.870 851 HB3 ARG 107 2HB ARG 107 -4.885 20.512 -10.029 852 HG2 ARG 107 1HG ARG 107 -3.439 18.572 -10.558 853 HG3 ARG 107 2HG ARG 107 -4.433 17.588 -9.481 854 HD2 ARG 107 1HD ARG 107 -5.533 19.113 -11.832 855 HD3 ARG 107 2HD ARG 107 -5.006 17.434 -11.925 856 HE ARG 107 HE ARG 107 -6.730 17.010 -10.139 857 HH11 ARG 107 1HH1 ARG 107 -7.038 19.695 -12.385 858 HH12 ARG 107 2HH1 ARG 107 -8.780 19.697 -12.329 859 HH21 ARG 107 1HH2 ARG 107 -9.026 17.029 -10.080 860 HH22 ARG 107 2HH2 ARG 107 -9.898 18.190 -11.031 861 H LYS 108 H LYS 108 -4.297 20.940 -5.945 862 HA LYS 108 HA LYS 108 -4.511 23.720 -6.796 863 HB2 LYS 108 1HB LYS 108 -5.055 22.382 -4.142 864 HB3 LYS 108 2HB LYS 108 -5.191 24.115 -4.409 865 HG2 LYS 108 1HG LYS 108 -6.868 23.648 -6.184 866 HG3 LYS 108 2HG LYS 108 -6.807 21.945 -5.724 867 HD2 LYS 108 1HD LYS 108 -7.611 22.454 -3.520 868 HD3 LYS 108 2HD LYS 108 -7.491 24.187 -3.830 869 HE2 LYS 108 1HE LYS 108 -9.792 23.536 -4.024 870 HE3 LYS 108 2HE LYS 108 -9.180 23.930 -5.628 871 HZ1 LYS 108 3HZ LYS 108 -8.870 21.521 -6.005 872 HZ2 LYS 108 1HZ LYS 108 -10.490 21.949 -5.742 873 HZ3 LYS 108 2HZ LYS 108 -9.594 21.210 -4.504 874 H LYS 109 H LYS 109 -2.168 21.607 -5.672 875 HA LYS 109 HA LYS 109 -0.492 23.799 -4.668 876 HB2 LYS 109 1HB LYS 109 -0.515 21.738 -3.312 877 HB3 LYS 109 2HB LYS 109 0.033 20.815 -4.706 878 HG2 LYS 109 1HG LYS 109 2.112 22.091 -4.742 879 HG3 LYS 109 2HG LYS 109 1.564 23.025 -3.350 880 HD2 LYS 109 1HD LYS 109 1.501 20.992 -2.002 881 HD3 LYS 109 2HD LYS 109 2.022 20.042 -3.397 882 HE2 LYS 109 1HE LYS 109 4.119 21.266 -3.474 883 HE3 LYS 109 2HE LYS 109 3.594 22.288 -2.138 884 HZ1 LYS 109 3HZ LYS 109 5.084 20.549 -1.388 885 HZ2 LYS 109 1HZ LYS 109 4.047 19.351 -1.994 886 HZ3 LYS 109 2HZ LYS 109 3.546 20.340 -0.711 887 H ASN 110 H ASN 110 -0.376 21.087 -6.970 888 HA ASN 110 HA ASN 110 1.654 22.416 -8.551 889 HB2 ASN 110 1HB ASN 110 0.139 19.827 -8.873 890 HB3 ASN 110 2HB ASN 110 1.138 20.472 -10.170 891 HD21 ASN 110 2HD2 ASN 110 2.507 18.684 -10.067 892 HD22 ASN 110 1HD2 ASN 110 3.646 18.478 -8.790 893 H LEU 111 H LEU 111 0.745 24.307 -9.200 894 HA LEU 111 HA LEU 111 -1.947 24.520 -10.066 895 HB2 LEU 111 1HB LEU 111 0.353 26.453 -10.305 896 HB3 LEU 111 2HB LEU 111 -1.312 26.838 -10.693 897 HG LEU 111 HG LEU 111 -0.225 26.117 -7.972 898 HD11 LEU 111 1HD1 LEU 111 -0.863 28.399 -7.393 899 HD12 LEU 111 2HD1 LEU 111 -1.384 28.681 -9.053 900 HD13 LEU 111 3HD1 LEU 111 0.318 28.381 -8.703 901 HD21 LEU 111 3HD2 LEU 111 -3.047 26.754 -8.819 902 HD22 LEU 111 1HD2 LEU 111 -2.492 26.570 -7.156 903 HD23 LEU 111 2HD2 LEU 111 -2.455 25.191 -8.255 904 H GLU 112 H GLU 112 -2.584 25.493 -12.107 905 HA GLU 112 HA GLU 112 -1.391 24.101 -14.360 906 HB2 GLU 112 1HB GLU 112 -3.817 25.907 -14.320 907 HB3 GLU 112 2HB GLU 112 -3.393 24.721 -15.547 908 HG2 GLU 112 1HG GLU 112 -3.861 22.912 -14.071 909 HG3 GLU 112 2HG GLU 112 -4.034 24.005 -12.699 910 H HIS 113 H HIS 113 -1.753 25.700 -16.477 911 HA HIS 113 HA HIS 113 -0.125 28.080 -15.876 912 HB2 HIS 113 1HB HIS 113 -0.520 26.556 -18.463 913 HB3 HIS 113 2HB HIS 113 0.388 28.062 -18.333 914 HD1 HIS 113 HD1 HIS 113 0.567 24.414 -17.436 915 HD2 HIS 113 HD2 HIS 113 2.917 27.840 -17.171 916 HE1 HIS 113 HE1 HIS 113 2.859 23.618 -16.777 917 HE2 HIS 113 HE2 HIS 113 4.218 25.718 -16.457 918 H HIS 114 H HIS 114 -3.112 26.931 -17.075 919 HA HIS 114 HA HIS 114 -4.175 29.646 -16.875 920 HB2 HIS 114 1HB HIS 114 -4.531 27.782 -19.210 921 HB3 HIS 114 2HB HIS 114 -5.797 28.926 -18.787 922 HD1 HIS 114 HD1 HIS 114 -2.701 28.630 -20.672 923 HD2 HIS 114 HD2 HIS 114 -4.872 31.702 -18.890 924 HE1 HIS 114 HE1 HIS 114 -1.873 30.758 -21.734 925 HE2 HIS 114 HE2 HIS 114 -3.130 32.612 -20.569 926 H HIS 115 H HIS 115 -6.361 29.666 -16.126 927 HA HIS 115 HA HIS 115 -7.024 27.123 -14.819 928 HB2 HIS 115 1HB HIS 115 -7.495 29.970 -13.991 929 HB3 HIS 115 2HB HIS 115 -8.429 28.650 -13.294 930 HD1 HIS 115 HD1 HIS 115 -6.017 26.596 -13.148 931 HD2 HIS 115 HD2 HIS 115 -5.999 30.524 -11.746 932 HE1 HIS 115 HE1 HIS 115 -4.254 26.681 -11.355 933 HE2 HIS 115 HE2 HIS 115 -4.469 28.976 -10.346 934 H HIS 116 H HIS 116 -9.466 27.148 -14.157 935 HA HIS 116 HA HIS 116 -10.865 27.173 -16.732 936 HB2 HIS 116 1HB HIS 116 -11.715 25.860 -14.138 937 HB3 HIS 116 2HB HIS 116 -12.378 25.565 -15.742 938 HD1 HIS 116 HD1 HIS 116 -11.433 23.579 -16.921 939 HD2 HIS 116 HD2 HIS 116 -8.883 25.015 -13.965 940 HE1 HIS 116 HE1 HIS 116 -9.475 21.990 -16.869 941 HE2 HIS 116 HE2 HIS 116 -7.864 22.991 -15.193 942 H HIS 117 H HIS 117 -10.484 29.117 -14.137 943 HA HIS 117 HA HIS 117 -13.162 30.312 -14.442 944 HB2 HIS 117 1HB HIS 117 -11.397 30.296 -11.979 945 HB3 HIS 117 2HB HIS 117 -12.874 31.238 -12.140 946 HD1 HIS 117 HD1 HIS 117 -12.537 29.134 -9.904 947 HD2 HIS 117 HD2 HIS 117 -14.376 28.419 -13.570 948 HE1 HIS 117 HE1 HIS 117 -14.023 27.137 -9.547 949 HE2 HIS 117 HE2 HIS 117 -15.244 26.823 -11.728 950 H HIS 118 H HIS 118 -13.093 32.718 -13.871 951 HA HIS 118 HA HIS 118 -10.531 33.929 -14.661 952 HB2 HIS 118 1HB HIS 118 -13.266 34.502 -15.788 953 HB3 HIS 118 2HB HIS 118 -11.989 35.713 -15.832 954 HD1 HIS 118 HD1 HIS 118 -10.405 35.589 -17.749 955 HD2 HIS 118 HD2 HIS 118 -12.538 32.056 -17.227 956 HE1 HIS 118 HE1 HIS 118 -9.768 34.114 -19.684 957 HE2 HIS 118 HE2 HIS 118 -10.873 31.901 -19.195 Start of MODEL 2 1 H1 SER 1 1H SER 1 0.273 -5.166 24.505 2 H2 SER 1 2H SER 1 0.744 -3.617 25.002 3 H3 SER 1 3H SER 1 1.920 -4.767 24.590 4 HA SER 1 HA SER 1 -0.042 -3.508 22.771 5 HB2 SER 1 1HB SER 1 2.976 -3.301 22.879 6 HB3 SER 1 2HB SER 1 1.906 -2.450 21.764 7 HG SER 1 HG SER 1 2.510 -1.122 23.514 8 H SER 2 H SER 2 -0.598 -4.747 21.107 9 HA SER 2 HA SER 2 1.197 -6.915 20.274 10 HB2 SER 2 1HB SER 2 -1.641 -6.328 19.389 11 HB3 SER 2 2HB SER 2 -0.706 -7.776 19.016 12 HG SER 2 HG SER 2 -0.847 -8.428 21.107 13 H ASN 3 H ASN 3 -0.403 -3.984 19.181 14 HA ASN 3 HA ASN 3 0.091 -2.483 17.554 15 HB2 ASN 3 1HB ASN 3 2.719 -3.975 17.543 16 HB3 ASN 3 2HB ASN 3 2.426 -2.523 16.593 17 HD21 ASN 3 2HD2 ASN 3 4.061 -1.428 17.694 18 HD22 ASN 3 1HD2 ASN 3 3.845 -0.850 19.308 19 H ASN 4 H ASN 4 -1.176 -5.067 16.896 20 HA ASN 4 HA ASN 4 -0.233 -5.707 14.240 21 HB2 ASN 4 1HB ASN 4 -2.103 -7.339 14.208 22 HB3 ASN 4 2HB ASN 4 -1.039 -7.542 15.593 23 HD21 ASN 4 2HD2 ASN 4 -2.628 -8.643 16.736 24 HD22 ASN 4 1HD2 ASN 4 -4.006 -7.831 17.413 25 H ASN 5 H ASN 5 -1.765 -3.118 15.267 26 HA ASN 5 HA ASN 5 -3.702 -2.962 13.071 27 HB2 ASN 5 1HB ASN 5 -3.115 -1.163 15.423 28 HB3 ASN 5 2HB ASN 5 -4.102 -0.623 14.073 29 HD21 ASN 5 2HD2 ASN 5 -4.197 -3.940 15.146 30 HD22 ASN 5 1HD2 ASN 5 -5.768 -3.863 15.863 31 H SER 6 H SER 6 -0.494 -2.525 13.563 32 HA SER 6 HA SER 6 -0.044 -0.071 12.168 33 HB2 SER 6 1HB SER 6 1.948 -2.299 12.616 34 HB3 SER 6 2HB SER 6 2.279 -0.579 12.397 35 HG SER 6 HG SER 6 1.462 -1.966 14.650 36 H PHE 7 H PHE 7 0.645 0.224 10.042 37 HA PHE 7 HA PHE 7 -0.497 -1.532 8.155 38 HB2 PHE 7 1HB PHE 7 -0.101 0.942 7.851 39 HB3 PHE 7 2HB PHE 7 1.598 0.572 7.587 40 HD1 PHE 7 HD2 PHE 7 -1.773 0.374 6.210 41 HD2 PHE 7 HD1 PHE 7 2.334 -0.520 5.548 42 HE1 PHE 7 HE2 PHE 7 -2.246 -0.002 3.826 43 HE2 PHE 7 HE1 PHE 7 1.866 -0.904 3.165 44 HZ PHE 7 HZ PHE 7 -0.424 -0.647 2.301 45 H SER 8 H SER 8 2.873 -0.986 9.140 46 HA SER 8 HA SER 8 4.168 -2.656 7.363 47 HB2 SER 8 1HB SER 8 5.831 -2.962 9.295 48 HB3 SER 8 2HB SER 8 5.501 -1.310 8.773 49 HG SER 8 HG SER 8 5.278 -1.195 10.922 50 H ALA 9 H ALA 9 2.719 -3.504 10.482 51 HA ALA 9 HA ALA 9 3.486 -6.212 10.487 52 HB1 ALA 9 3HB ALA 9 1.163 -4.881 11.877 53 HB2 ALA 9 1HB ALA 9 2.798 -5.063 12.511 54 HB3 ALA 9 2HB ALA 9 1.793 -6.488 12.244 55 H ILE 10 H ILE 10 0.423 -4.666 9.533 56 HA ILE 10 HA ILE 10 -0.885 -7.079 8.846 57 HB ILE 10 HB ILE 10 -1.465 -4.274 7.870 58 HG12 ILE 10 1HG1 ILE 10 -2.649 -5.833 10.179 59 HG13 ILE 10 2HG1 ILE 10 -1.474 -4.533 10.339 60 HG21 ILE 10 1HG2 ILE 10 -3.202 -6.745 7.895 61 HG22 ILE 10 2HG2 ILE 10 -2.530 -5.954 6.468 62 HG23 ILE 10 3HG2 ILE 10 -3.734 -5.122 7.452 63 HD11 ILE 10 3HD1 ILE 10 -4.254 -4.274 9.222 64 HD12 ILE 10 1HD1 ILE 10 -3.082 -2.967 9.387 65 HD13 ILE 10 2HD1 ILE 10 -3.721 -3.764 10.825 66 H TYR 11 H TYR 11 0.963 -4.726 6.964 67 HA TYR 11 HA TYR 11 0.557 -5.800 4.416 68 HB2 TYR 11 1HB TYR 11 1.587 -3.724 4.401 69 HB3 TYR 11 2HB TYR 11 2.725 -4.159 5.671 70 HD1 TYR 11 HD1 TYR 11 1.880 -5.218 2.177 71 HD2 TYR 11 HD2 TYR 11 4.915 -4.442 5.057 72 HE1 TYR 11 HE1 TYR 11 3.602 -5.712 0.493 73 HE2 TYR 11 HE2 TYR 11 6.641 -4.930 3.380 74 HH TYR 11 HH TYR 11 6.937 -6.049 1.332 75 H LYS 12 H LYS 12 3.103 -6.542 6.807 76 HA LYS 12 HA LYS 12 4.494 -8.361 5.174 77 HB2 LYS 12 1HB LYS 12 5.466 -7.383 7.214 78 HB3 LYS 12 2HB LYS 12 4.337 -8.309 8.195 79 HG2 LYS 12 1HG LYS 12 6.519 -9.366 8.169 80 HG3 LYS 12 2HG LYS 12 5.323 -10.391 7.373 81 HD2 LYS 12 1HD LYS 12 6.105 -9.408 5.186 82 HD3 LYS 12 2HD LYS 12 7.434 -8.672 6.082 83 HE2 LYS 12 1HE LYS 12 6.834 -11.618 5.846 84 HE3 LYS 12 2HE LYS 12 8.157 -10.753 5.066 85 HZ1 LYS 12 3HZ LYS 12 9.029 -11.846 6.958 86 HZ2 LYS 12 1HZ LYS 12 7.796 -11.261 7.965 87 HZ3 LYS 12 2HZ LYS 12 8.960 -10.195 7.346 88 H GLU 13 H GLU 13 1.814 -8.814 7.432 89 HA GLU 13 HA GLU 13 1.782 -11.647 7.256 90 HB2 GLU 13 1HB GLU 13 0.655 -10.261 9.044 91 HB3 GLU 13 2HB GLU 13 -0.584 -9.870 7.857 92 HG2 GLU 13 1HG GLU 13 -0.939 -12.349 7.588 93 HG3 GLU 13 2HG GLU 13 0.097 -12.563 8.996 94 H TRP 14 H TRP 14 -0.139 -9.116 5.673 95 HA TRP 14 HA TRP 14 -1.720 -10.661 4.022 96 HB2 TRP 14 1HB TRP 14 -2.127 -8.318 4.140 97 HB3 TRP 14 2HB TRP 14 -0.492 -7.932 3.617 98 HD1 TRP 14 HD1 TRP 14 -3.722 -9.511 2.151 99 HE1 TRP 14 HE1 TRP 14 -3.793 -8.952 -0.362 100 HE3 TRP 14 HE3 TRP 14 0.785 -7.140 1.712 101 HZ2 TRP 14 HZ2 TRP 14 -2.158 -7.673 -2.271 102 HZ3 TRP 14 HZ3 TRP 14 1.456 -6.278 -0.493 103 HH2 TRP 14 HH2 TRP 14 0.013 -6.541 -2.443 104 H TYR 15 H TYR 15 1.532 -9.402 3.377 105 HA TYR 15 HA TYR 15 1.854 -10.428 0.810 106 HB2 TYR 15 1HB TYR 15 3.443 -8.844 1.583 107 HB3 TYR 15 2HB TYR 15 3.854 -9.826 2.986 108 HD1 TYR 15 HD2 TYR 15 3.748 -10.325 -0.729 109 HD2 TYR 15 HD1 TYR 15 5.942 -10.789 2.890 110 HE1 TYR 15 HE2 TYR 15 5.587 -11.367 -1.982 111 HE2 TYR 15 HE1 TYR 15 7.785 -11.835 1.643 112 HH TYR 15 HH TYR 15 8.012 -11.730 -1.735 113 H GLU 16 H GLU 16 2.694 -11.920 3.938 114 HA GLU 16 HA GLU 16 3.858 -14.224 2.789 115 HB2 GLU 16 1HB GLU 16 2.842 -13.590 5.544 116 HB3 GLU 16 2HB GLU 16 3.482 -15.179 5.140 117 HG2 GLU 16 1HG GLU 16 4.999 -12.622 4.721 118 HG3 GLU 16 2HG GLU 16 5.123 -13.607 6.180 119 H HIS 17 H HIS 17 0.547 -13.418 3.547 120 HA HIS 17 HA HIS 17 -0.417 -16.114 3.291 121 HB2 HIS 17 1HB HIS 17 -1.786 -13.430 3.295 122 HB3 HIS 17 2HB HIS 17 -2.670 -14.906 2.939 123 HD1 HIS 17 HD1 HIS 17 -3.099 -16.542 4.906 124 HD2 HIS 17 HD2 HIS 17 -1.079 -13.066 5.969 125 HE1 HIS 17 HE1 HIS 17 -3.204 -16.429 7.418 126 HE2 HIS 17 HE2 HIS 17 -2.202 -14.194 8.001 127 H LYS 18 H LYS 18 -0.512 -13.247 1.175 128 HA LYS 18 HA LYS 18 -1.654 -14.708 -1.010 129 HB2 LYS 18 1HB LYS 18 -1.746 -12.147 -0.442 130 HB3 LYS 18 2HB LYS 18 -0.243 -12.084 -1.351 131 HG2 LYS 18 1HG LYS 18 -2.041 -11.544 -2.823 132 HG3 LYS 18 2HG LYS 18 -1.425 -13.140 -3.266 133 HD2 LYS 18 1HD LYS 18 -3.255 -14.154 -1.923 134 HD3 LYS 18 2HD LYS 18 -3.901 -12.534 -1.651 135 HE2 LYS 18 1HE LYS 18 -4.202 -12.241 -4.053 136 HE3 LYS 18 2HE LYS 18 -3.521 -13.842 -4.344 137 HZ1 LYS 18 3HZ LYS 18 -5.799 -14.191 -4.406 138 HZ2 LYS 18 1HZ LYS 18 -6.114 -13.140 -3.111 139 HZ3 LYS 18 2HZ LYS 18 -5.397 -14.646 -2.823 140 H LYS 19 H LYS 19 1.407 -14.479 0.272 141 HA LYS 19 HA LYS 19 3.182 -14.574 -1.857 142 HB2 LYS 19 1HB LYS 19 3.472 -14.614 0.779 143 HB3 LYS 19 2HB LYS 19 3.576 -16.347 0.521 144 HG2 LYS 19 1HG LYS 19 5.457 -15.951 -1.042 145 HG3 LYS 19 2HG LYS 19 5.379 -14.234 -0.628 146 HD2 LYS 19 1HD LYS 19 5.691 -14.870 1.759 147 HD3 LYS 19 2HD LYS 19 5.965 -16.530 1.228 148 HE2 LYS 19 1HE LYS 19 7.900 -15.864 -0.030 149 HE3 LYS 19 2HE LYS 19 7.582 -14.161 0.306 150 HZ1 LYS 19 3HZ LYS 19 9.262 -14.854 1.792 151 HZ2 LYS 19 1HZ LYS 19 8.417 -16.263 2.227 152 HZ3 LYS 19 2HZ LYS 19 7.840 -14.740 2.715 153 H GLN 20 H GLN 20 0.991 -16.969 -0.620 154 HA GLN 20 HA GLN 20 2.247 -19.216 -1.891 155 HB2 GLN 20 1HB GLN 20 -0.512 -18.908 -0.695 156 HB3 GLN 20 2HB GLN 20 0.225 -20.430 -1.177 157 HG2 GLN 20 1HG GLN 20 1.940 -20.178 0.501 158 HG3 GLN 20 2HG GLN 20 1.313 -18.591 0.943 159 HE21 GLN 20 2HE2 GLN 20 1.667 -21.009 2.546 160 HE22 GLN 20 1HE2 GLN 20 0.103 -21.387 3.187 161 H VAL 21 H VAL 21 0.156 -16.736 -2.917 162 HA VAL 21 HA VAL 21 -1.067 -18.319 -5.025 163 HB VAL 21 HB VAL 21 -1.385 -15.388 -4.370 164 HG11 VAL 21 1HG1 VAL 21 -2.969 -17.141 -6.246 165 HG12 VAL 21 2HG1 VAL 21 -1.852 -15.863 -6.721 166 HG13 VAL 21 3HG1 VAL 21 -3.330 -15.462 -5.847 167 HG21 VAL 21 3HG2 VAL 21 -3.194 -17.731 -3.791 168 HG22 VAL 21 1HG2 VAL 21 -3.550 -16.038 -3.449 169 HG23 VAL 21 2HG2 VAL 21 -2.230 -16.850 -2.606 170 H TRP 22 H TRP 22 1.077 -15.528 -4.693 171 HA TRP 22 HA TRP 22 1.531 -15.393 -7.546 172 HB2 TRP 22 1HB TRP 22 2.957 -13.911 -5.324 173 HB3 TRP 22 2HB TRP 22 3.010 -13.526 -7.039 174 HD1 TRP 22 HD1 TRP 22 -0.221 -13.811 -7.479 175 HE1 TRP 22 HE1 TRP 22 -1.715 -11.891 -6.630 176 HE3 TRP 22 HE3 TRP 22 3.004 -11.730 -4.108 177 HZ2 TRP 22 HZ2 TRP 22 -1.527 -9.758 -4.781 178 HZ3 TRP 22 HZ3 TRP 22 2.275 -9.751 -2.843 179 HH2 TRP 22 HH2 TRP 22 0.057 -8.787 -3.172 180 H SER 23 H SER 23 3.570 -15.715 -8.553 181 HA SER 23 HA SER 23 5.101 -17.888 -7.607 182 HB2 SER 23 1HB SER 23 6.690 -17.193 -9.456 183 HB3 SER 23 2HB SER 23 5.029 -17.482 -9.971 184 HG SER 23 HG SER 23 6.505 -15.249 -10.188 185 H VAL 24 H VAL 24 7.067 -17.947 -6.526 186 HA VAL 24 HA VAL 24 7.429 -16.034 -4.558 187 HB VAL 24 HB VAL 24 8.253 -18.319 -4.324 188 HG11 VAL 24 1HG1 VAL 24 10.383 -17.525 -6.301 189 HG12 VAL 24 2HG1 VAL 24 9.114 -18.727 -6.540 190 HG13 VAL 24 3HG1 VAL 24 10.380 -19.007 -5.344 191 HG21 VAL 24 3HG2 VAL 24 9.151 -16.621 -2.849 192 HG22 VAL 24 1HG2 VAL 24 10.414 -16.239 -4.018 193 HG23 VAL 24 2HG2 VAL 24 10.392 -17.816 -3.227 194 H GLY 25 H GLY 25 9.030 -16.297 -7.701 195 HA2 GLY 25 1HA GLY 25 11.052 -14.389 -7.266 196 HA3 GLY 25 2HA GLY 25 10.379 -14.815 -8.831 197 H TYR 26 H TYR 26 7.810 -14.002 -8.651 198 HA TYR 26 HA TYR 26 8.064 -11.175 -8.931 199 HB2 TYR 26 1HB TYR 26 6.550 -12.458 -10.364 200 HB3 TYR 26 2HB TYR 26 5.596 -12.928 -8.959 201 HD1 TYR 26 HD2 TYR 26 6.893 -9.770 -10.497 202 HD2 TYR 26 HD1 TYR 26 3.625 -11.774 -8.649 203 HE1 TYR 26 HE2 TYR 26 5.510 -7.755 -10.769 204 HE2 TYR 26 HE1 TYR 26 2.232 -9.765 -8.917 205 HH TYR 26 HH TYR 26 3.117 -7.183 -10.922 206 H ALA 27 H ALA 27 6.710 -13.327 -6.500 207 HA ALA 27 HA ALA 27 5.368 -11.435 -4.939 208 HB1 ALA 27 3HB ALA 27 5.131 -13.853 -4.618 209 HB2 ALA 27 1HB ALA 27 5.547 -13.037 -3.110 210 HB3 ALA 27 2HB ALA 27 6.781 -13.929 -4.001 211 H THR 28 H THR 28 8.739 -12.592 -4.711 212 HA THR 28 HA THR 28 9.540 -10.961 -2.585 213 HB THR 28 HB THR 28 11.269 -11.797 -4.923 214 HG1 THR 28 HG1 THR 28 11.053 -13.255 -2.502 215 HG21 THR 28 3HG2 THR 28 13.083 -11.733 -3.280 216 HG22 THR 28 1HG2 THR 28 11.948 -11.201 -2.039 217 HG23 THR 28 2HG2 THR 28 12.301 -10.159 -3.417 218 H GLU 29 H GLU 29 9.541 -10.356 -6.079 219 HA GLU 29 HA GLU 29 10.826 -7.842 -5.943 220 HB2 GLU 29 1HB GLU 29 10.715 -9.177 -7.997 221 HB3 GLU 29 2HB GLU 29 8.975 -8.932 -8.068 222 HG2 GLU 29 1HG GLU 29 9.243 -6.604 -8.477 223 HG3 GLU 29 2HG GLU 29 10.974 -6.689 -8.151 224 H LEU 30 H LEU 30 7.383 -8.711 -6.194 225 HA LEU 30 HA LEU 30 6.342 -6.115 -6.243 226 HB2 LEU 30 1HB LEU 30 5.038 -8.147 -6.743 227 HB3 LEU 30 2HB LEU 30 5.125 -8.622 -5.062 228 HG LEU 30 HG LEU 30 3.837 -6.011 -5.795 229 HD11 LEU 30 1HD1 LEU 30 1.690 -7.159 -6.000 230 HD12 LEU 30 2HD1 LEU 30 2.509 -8.716 -5.883 231 HD13 LEU 30 3HD1 LEU 30 2.812 -7.662 -7.266 232 HD21 LEU 30 3HD2 LEU 30 4.217 -6.494 -3.431 233 HD22 LEU 30 1HD2 LEU 30 3.358 -8.026 -3.595 234 HD23 LEU 30 2HD2 LEU 30 2.492 -6.503 -3.802 235 H ALA 31 H ALA 31 7.102 -8.250 -3.535 236 HA ALA 31 HA ALA 31 6.178 -6.526 -1.498 237 HB1 ALA 31 3HB ALA 31 8.300 -8.659 -1.312 238 HB2 ALA 31 1HB ALA 31 6.563 -8.931 -1.165 239 HB3 ALA 31 2HB ALA 31 7.406 -7.945 0.031 240 H LYS 32 H LYS 32 9.431 -7.067 -2.853 241 HA LYS 32 HA LYS 32 10.710 -5.285 -1.085 242 HB2 LYS 32 1HB LYS 32 11.780 -7.088 -2.554 243 HB3 LYS 32 2HB LYS 32 11.713 -5.901 -3.854 244 HG2 LYS 32 1HG LYS 32 13.038 -4.354 -2.501 245 HG3 LYS 32 2HG LYS 32 13.121 -5.559 -1.219 246 HD2 LYS 32 1HD LYS 32 14.255 -7.094 -2.802 247 HD3 LYS 32 2HD LYS 32 14.266 -5.791 -3.995 248 HE2 LYS 32 1HE LYS 32 15.618 -5.816 -1.303 249 HE3 LYS 32 2HE LYS 32 16.396 -5.828 -2.886 250 HZ1 LYS 32 3HZ LYS 32 14.744 -3.609 -1.781 251 HZ2 LYS 32 1HZ LYS 32 15.492 -3.622 -3.306 252 HZ3 LYS 32 2HZ LYS 32 16.436 -3.623 -1.898 253 H MET 33 H MET 33 9.252 -4.812 -4.277 254 HA MET 33 HA MET 33 10.057 -2.128 -4.611 255 HB2 MET 33 1HB MET 33 9.083 -3.466 -6.440 256 HB3 MET 33 2HB MET 33 7.536 -3.481 -5.604 257 HG2 MET 33 1HG MET 33 7.414 -1.041 -5.811 258 HG3 MET 33 2HG MET 33 8.947 -1.049 -6.680 259 HE1 MET 33 3HE MET 33 5.128 -2.062 -6.809 260 HE2 MET 33 1HE MET 33 5.976 -3.608 -6.899 261 HE3 MET 33 2HE MET 33 5.087 -3.006 -8.298 262 H PHE 34 H PHE 34 7.228 -3.597 -3.104 263 HA PHE 34 HA PHE 34 5.888 -1.221 -2.372 264 HB2 PHE 34 1HB PHE 34 4.986 -3.607 -2.364 265 HB3 PHE 34 2HB PHE 34 5.861 -3.848 -0.859 266 HD1 PHE 34 HD2 PHE 34 5.313 -2.143 1.045 267 HD2 PHE 34 HD1 PHE 34 2.806 -2.884 -2.313 268 HE1 PHE 34 HE2 PHE 34 3.390 -1.265 2.292 269 HE2 PHE 34 HE1 PHE 34 0.872 -2.010 -1.067 270 HZ PHE 34 HZ PHE 34 1.163 -1.199 1.239 271 H ASP 35 H ASP 35 8.166 -3.309 -0.606 272 HA ASP 35 HA ASP 35 8.118 -1.794 1.772 273 HB2 ASP 35 1HB ASP 35 8.814 -4.141 1.685 274 HB3 ASP 35 2HB ASP 35 10.243 -3.689 0.764 275 H ASP 36 H ASP 36 10.550 -1.890 -0.856 276 HA ASP 36 HA ASP 36 12.323 -0.104 0.377 277 HB2 ASP 36 1HB ASP 36 12.024 -1.217 -2.342 278 HB3 ASP 36 2HB ASP 36 12.929 0.289 -2.225 279 H ASP 37 H ASP 37 9.490 0.564 -1.609 280 HA ASP 37 HA ASP 37 10.248 3.405 -1.615 281 HB2 ASP 37 1HB ASP 37 8.332 1.819 -3.291 282 HB3 ASP 37 2HB ASP 37 8.196 3.571 -3.190 283 H ILE 38 H ILE 38 7.608 1.270 -0.590 284 HA ILE 38 HA ILE 38 5.988 3.563 0.179 285 HB ILE 38 HB ILE 38 5.306 0.632 0.395 286 HG12 ILE 38 1HG1 ILE 38 4.853 2.583 -1.870 287 HG13 ILE 38 2HG1 ILE 38 5.833 1.128 -1.911 288 HG21 ILE 38 1HG2 ILE 38 2.981 1.440 0.375 289 HG22 ILE 38 2HG2 ILE 38 3.577 3.100 0.395 290 HG23 ILE 38 3HG2 ILE 38 3.891 2.034 1.764 291 HD11 ILE 38 3HD1 ILE 38 3.733 0.801 -3.066 292 HD12 ILE 38 1HD1 ILE 38 2.843 1.232 -1.607 293 HD13 ILE 38 2HD1 ILE 38 3.826 -0.232 -1.641 294 H LEU 39 H LEU 39 7.803 0.966 1.694 295 HA LEU 39 HA LEU 39 6.579 1.039 4.221 296 HB2 LEU 39 1HB LEU 39 8.337 -0.602 3.092 297 HB3 LEU 39 2HB LEU 39 9.468 0.362 4.014 298 HG LEU 39 HG LEU 39 8.712 -1.777 5.097 299 HD11 LEU 39 1HD1 LEU 39 8.478 -0.811 7.314 300 HD12 LEU 39 2HD1 LEU 39 8.143 0.766 6.600 301 HD13 LEU 39 3HD1 LEU 39 9.725 0.017 6.383 302 HD21 LEU 39 3HD2 LEU 39 6.124 -0.262 5.416 303 HD22 LEU 39 1HD2 LEU 39 6.524 -1.802 6.177 304 HD23 LEU 39 2HD2 LEU 39 6.369 -1.698 4.423 305 HA PRO 40 HA PRO 40 10.043 4.179 5.571 306 HB2 PRO 40 1HB PRO 40 10.767 5.506 3.045 307 HB3 PRO 40 2HB PRO 40 11.807 4.914 4.343 308 HG2 PRO 40 1HG PRO 40 11.686 3.680 1.966 309 HG3 PRO 40 2HG PRO 40 11.890 2.774 3.478 310 HD2 PRO 40 1HD PRO 40 9.419 3.188 1.835 311 HD3 PRO 40 2HD PRO 40 10.006 1.713 2.634 312 H ILE 41 H ILE 41 7.442 4.523 3.458 313 HA ILE 41 HA ILE 41 7.133 7.386 4.020 314 HB ILE 41 HB ILE 41 5.483 5.644 2.185 315 HG12 ILE 41 1HG1 ILE 41 7.845 5.941 1.427 316 HG13 ILE 41 2HG1 ILE 41 6.665 6.660 0.337 317 HG21 ILE 41 1HG2 ILE 41 5.558 8.639 2.527 318 HG22 ILE 41 2HG2 ILE 41 4.260 7.566 3.049 319 HG23 ILE 41 3HG2 ILE 41 4.603 7.763 1.329 320 HD11 ILE 41 3HD1 ILE 41 8.622 8.079 0.641 321 HD12 ILE 41 1HD1 ILE 41 8.299 8.156 2.373 322 HD13 ILE 41 2HD1 ILE 41 7.154 8.860 1.228 323 H ILE 42 H ILE 42 5.104 4.428 4.073 324 HA ILE 42 HA ILE 42 3.631 5.669 6.312 325 HB ILE 42 HB ILE 42 1.565 4.668 5.527 326 HG12 ILE 42 1HG1 ILE 42 2.856 3.932 2.924 327 HG13 ILE 42 2HG1 ILE 42 2.913 2.805 4.278 328 HG21 ILE 42 1HG2 ILE 42 2.952 6.312 3.418 329 HG22 ILE 42 2HG2 ILE 42 2.035 6.918 4.799 330 HG23 ILE 42 3HG2 ILE 42 1.211 6.039 3.510 331 HD11 ILE 42 3HD1 ILE 42 0.485 2.840 4.405 332 HD12 ILE 42 1HD1 ILE 42 1.051 2.312 2.819 333 HD13 ILE 42 2HD1 ILE 42 0.429 3.950 3.033 334 H GLY 43 H GLY 43 5.732 3.339 5.810 335 HA2 GLY 43 1HA GLY 43 4.455 0.928 6.508 336 HA3 GLY 43 2HA GLY 43 6.167 1.268 6.706 337 H GLY 44 H GLY 44 6.000 3.403 8.495 338 HA2 GLY 44 1HA GLY 44 5.545 1.925 10.931 339 HA3 GLY 44 2HA GLY 44 6.218 3.541 10.794 340 H LEU 45 H LEU 45 3.411 3.501 9.013 341 HA LEU 45 HA LEU 45 2.018 4.901 11.157 342 HB2 LEU 45 1HB LEU 45 1.377 4.567 8.226 343 HB3 LEU 45 2HB LEU 45 0.406 5.496 9.350 344 HG LEU 45 HG LEU 45 3.298 6.127 8.765 345 HD11 LEU 45 1HD1 LEU 45 1.957 6.300 6.714 346 HD12 LEU 45 2HD1 LEU 45 2.504 7.876 7.286 347 HD13 LEU 45 3HD1 LEU 45 0.832 7.371 7.552 348 HD21 LEU 45 3HD2 LEU 45 1.079 7.729 10.037 349 HD22 LEU 45 1HD2 LEU 45 2.716 8.304 9.723 350 HD23 LEU 45 2HD2 LEU 45 2.446 6.998 10.878 351 H GLU 46 H GLU 46 -0.121 4.366 11.790 352 HA GLU 46 HA GLU 46 -0.668 1.523 11.662 353 HB2 GLU 46 1HB GLU 46 -2.058 3.782 13.104 354 HB3 GLU 46 2HB GLU 46 -2.615 2.115 13.149 355 HG2 GLU 46 1HG GLU 46 -0.379 1.486 14.074 356 HG3 GLU 46 2HG GLU 46 -0.020 3.207 14.201 357 H ILE 47 H ILE 47 -2.552 0.616 10.786 358 HA ILE 47 HA ILE 47 -3.133 1.716 8.253 359 HB ILE 47 HB ILE 47 -3.104 -0.741 8.941 360 HG12 ILE 47 1HG1 ILE 47 -5.537 0.086 7.361 361 HG13 ILE 47 2HG1 ILE 47 -3.901 0.267 6.737 362 HG21 ILE 47 1HG2 ILE 47 -5.257 -1.701 9.619 363 HG22 ILE 47 2HG2 ILE 47 -5.925 -0.077 9.778 364 HG23 ILE 47 3HG2 ILE 47 -4.615 -0.599 10.836 365 HD11 ILE 47 3HD1 ILE 47 -3.566 -2.144 6.953 366 HD12 ILE 47 1HD1 ILE 47 -4.925 -1.753 5.900 367 HD13 ILE 47 2HD1 ILE 47 -5.217 -2.311 7.547 368 H GLN 48 H GLN 48 -4.559 2.193 11.302 369 HA GLN 48 HA GLN 48 -7.043 3.244 10.158 370 HB2 GLN 48 1HB GLN 48 -6.223 2.823 13.039 371 HB3 GLN 48 2HB GLN 48 -7.792 3.406 12.507 372 HG2 GLN 48 1HG GLN 48 -8.224 1.282 11.403 373 HG3 GLN 48 2HG GLN 48 -6.632 0.697 11.892 374 HE21 GLN 48 2HE2 GLN 48 -9.320 -0.325 12.534 375 HE22 GLN 48 1HE2 GLN 48 -9.415 -0.344 14.256 376 H ASP 49 H ASP 49 -4.079 4.408 10.450 377 HA ASP 49 HA ASP 49 -4.920 7.041 11.453 378 HB2 ASP 49 1HB ASP 49 -3.852 5.647 13.262 379 HB3 ASP 49 2HB ASP 49 -2.371 5.654 12.313 380 H ILE 50 H ILE 50 -3.789 5.496 8.881 381 HA ILE 50 HA ILE 50 -1.376 6.830 8.240 382 HB ILE 50 HB ILE 50 -3.364 5.437 6.447 383 HG12 ILE 50 1HG1 ILE 50 -0.673 4.581 7.526 384 HG13 ILE 50 2HG1 ILE 50 -2.229 4.046 8.153 385 HG21 ILE 50 1HG2 ILE 50 -2.097 7.047 5.136 386 HG22 ILE 50 2HG2 ILE 50 -1.570 5.405 4.763 387 HG23 ILE 50 3HG2 ILE 50 -0.587 6.431 5.808 388 HD11 ILE 50 3HD1 ILE 50 -2.723 2.994 6.014 389 HD12 ILE 50 1HD1 ILE 50 -1.232 2.375 6.725 390 HD13 ILE 50 2HD1 ILE 50 -1.161 3.530 5.393 391 H GLU 51 H GLU 51 -0.977 8.726 7.408 392 HA GLU 51 HA GLU 51 -3.053 10.671 7.152 393 HB2 GLU 51 1HB GLU 51 -0.663 10.962 8.050 394 HB3 GLU 51 2HB GLU 51 -0.156 10.994 6.370 395 HG2 GLU 51 1HG GLU 51 -2.231 12.883 7.410 396 HG3 GLU 51 2HG GLU 51 -0.509 13.208 7.588 397 HA PRO 52 HA PRO 52 -4.244 9.845 2.959 398 HB2 PRO 52 1HB PRO 52 -4.713 12.792 2.997 399 HB3 PRO 52 2HB PRO 52 -5.778 11.488 2.460 400 HG2 PRO 52 1HG PRO 52 -6.164 12.665 4.813 401 HG3 PRO 52 2HG PRO 52 -6.386 10.917 4.625 402 HD2 PRO 52 1HD PRO 52 -4.166 12.416 5.921 403 HD3 PRO 52 2HD PRO 52 -4.850 10.831 6.331 404 H MET 53 H MET 53 -2.323 12.835 3.501 405 HA MET 53 HA MET 53 -1.482 12.870 0.750 406 HB2 MET 53 1HB MET 53 -0.561 14.496 3.121 407 HB3 MET 53 2HB MET 53 0.016 14.738 1.478 408 HG2 MET 53 1HG MET 53 -2.388 15.103 0.817 409 HG3 MET 53 2HG MET 53 -2.765 15.141 2.537 410 HE1 MET 53 3HE MET 53 -0.061 16.568 3.641 411 HE2 MET 53 1HE MET 53 -1.686 16.924 4.229 412 HE3 MET 53 2HE MET 53 -0.627 18.237 3.717 413 H GLN 54 H GLN 54 -0.296 11.430 3.653 414 HA GLN 54 HA GLN 54 2.330 10.924 2.620 415 HB2 GLN 54 1HB GLN 54 0.793 10.075 5.015 416 HB3 GLN 54 2HB GLN 54 2.103 9.022 4.490 417 HG2 GLN 54 1HG GLN 54 3.665 10.861 4.613 418 HG3 GLN 54 2HG GLN 54 2.366 11.958 5.077 419 HE21 GLN 54 2HE2 GLN 54 4.842 11.202 6.453 420 HE22 GLN 54 1HE2 GLN 54 4.353 10.617 8.005 421 H LEU 55 H LEU 55 -0.740 9.200 2.677 422 HA LEU 55 HA LEU 55 0.228 6.855 1.398 423 HB2 LEU 55 1HB LEU 55 -1.951 7.028 2.608 424 HB3 LEU 55 2HB LEU 55 -2.561 8.027 1.303 425 HG LEU 55 HG LEU 55 -2.370 6.162 -0.257 426 HD11 LEU 55 1HD1 LEU 55 -0.420 5.058 0.699 427 HD12 LEU 55 2HD1 LEU 55 -1.763 3.927 0.535 428 HD13 LEU 55 3HD1 LEU 55 -1.362 4.597 2.117 429 HD21 LEU 55 3HD2 LEU 55 -4.447 6.379 0.965 430 HD22 LEU 55 1HD2 LEU 55 -3.784 5.448 2.310 431 HD23 LEU 55 2HD2 LEU 55 -4.057 4.671 0.750 432 H LEU 56 H LEU 56 -0.948 9.967 0.281 433 HA LEU 56 HA LEU 56 -0.850 9.327 -2.501 434 HB2 LEU 56 1HB LEU 56 -2.135 11.224 -1.317 435 HB3 LEU 56 2HB LEU 56 -0.615 12.092 -1.331 436 HG LEU 56 HG LEU 56 -2.305 12.611 -3.180 437 HD11 LEU 56 1HD1 LEU 56 0.495 11.849 -3.968 438 HD12 LEU 56 2HD1 LEU 56 -0.007 13.386 -3.260 439 HD13 LEU 56 3HD1 LEU 56 -0.581 12.924 -4.863 440 HD21 LEU 56 3HD2 LEU 56 -1.266 9.988 -4.226 441 HD22 LEU 56 1HD2 LEU 56 -2.239 11.146 -5.133 442 HD23 LEU 56 2HD2 LEU 56 -2.922 10.331 -3.725 443 H GLU 57 H GLU 57 1.438 10.484 -0.129 444 HA GLU 57 HA GLU 57 3.496 11.288 -1.885 445 HB2 GLU 57 1HB GLU 57 3.413 11.801 0.554 446 HB3 GLU 57 2HB GLU 57 3.782 10.114 0.883 447 HG2 GLU 57 1HG GLU 57 5.933 10.318 -0.140 448 HG3 GLU 57 2HG GLU 57 5.567 11.952 -0.692 449 H VAL 58 H VAL 58 2.462 8.195 -0.666 450 HA VAL 58 HA VAL 58 4.586 6.621 -1.687 451 HB VAL 58 HB VAL 58 1.684 5.956 -1.149 452 HG11 VAL 58 1HG1 VAL 58 3.971 4.143 -1.878 453 HG12 VAL 58 2HG1 VAL 58 2.472 4.386 -2.773 454 HG13 VAL 58 3HG1 VAL 58 2.443 3.584 -1.202 455 HG21 VAL 58 3HG2 VAL 58 2.551 4.878 0.858 456 HG22 VAL 58 1HG2 VAL 58 2.991 6.586 0.824 457 HG23 VAL 58 2HG2 VAL 58 4.192 5.355 0.420 458 H ILE 59 H ILE 59 1.396 7.464 -2.963 459 HA ILE 59 HA ILE 59 1.543 6.261 -5.457 460 HB ILE 59 HB ILE 59 0.270 8.899 -4.763 461 HG12 ILE 59 1HG1 ILE 59 -0.566 7.181 -3.302 462 HG13 ILE 59 2HG1 ILE 59 -1.806 7.563 -4.493 463 HG21 ILE 59 1HG2 ILE 59 -1.190 8.552 -6.664 464 HG22 ILE 59 2HG2 ILE 59 -0.355 7.044 -7.044 465 HG23 ILE 59 3HG2 ILE 59 0.499 8.581 -7.175 466 HD11 ILE 59 3HD1 ILE 59 -1.204 5.568 -5.758 467 HD12 ILE 59 1HD1 ILE 59 -1.659 5.175 -4.099 468 HD13 ILE 59 2HD1 ILE 59 0.042 5.189 -4.567 469 H ARG 60 H ARG 60 2.560 9.543 -4.497 470 HA ARG 60 HA ARG 60 3.687 10.066 -7.078 471 HB2 ARG 60 1HB ARG 60 3.637 11.610 -4.511 472 HB3 ARG 60 2HB ARG 60 4.631 12.132 -5.868 473 HG2 ARG 60 1HG ARG 60 2.527 12.000 -7.269 474 HG3 ARG 60 2HG ARG 60 1.648 11.853 -5.748 475 HD2 ARG 60 1HD ARG 60 2.314 13.999 -5.040 476 HD3 ARG 60 2HD ARG 60 3.554 14.111 -6.294 477 HE ARG 60 HE ARG 60 0.707 13.963 -7.028 478 HH11 ARG 60 1HH1 ARG 60 3.762 15.693 -7.037 479 HH12 ARG 60 2HH1 ARG 60 3.245 16.833 -8.236 480 HH21 ARG 60 1HH2 ARG 60 0.045 15.459 -8.597 481 HH22 ARG 60 2HH2 ARG 60 1.139 16.706 -9.126 482 H ARG 61 H ARG 61 4.790 8.355 -4.421 483 HA ARG 61 HA ARG 61 7.586 8.772 -4.723 484 HB2 ARG 61 1HB ARG 61 6.653 7.631 -2.757 485 HB3 ARG 61 2HB ARG 61 6.052 6.334 -3.778 486 HG2 ARG 61 1HG ARG 61 8.015 5.572 -2.676 487 HG3 ARG 61 2HG ARG 61 8.407 5.806 -4.380 488 HD2 ARG 61 1HD ARG 61 9.485 7.903 -3.889 489 HD3 ARG 61 2HD ARG 61 8.978 7.807 -2.201 490 HE ARG 61 HE ARG 61 10.797 5.811 -3.391 491 HH11 ARG 61 1HH1 ARG 61 9.998 8.118 -0.882 492 HH12 ARG 61 2HH1 ARG 61 11.376 7.725 0.103 493 HH21 ARG 61 1HH2 ARG 61 12.633 5.321 -2.115 494 HH22 ARG 61 2HH2 ARG 61 12.870 6.149 -0.601 495 H PHE 62 H PHE 62 5.174 6.701 -6.222 496 HA PHE 62 HA PHE 62 7.112 5.561 -8.044 497 HB2 PHE 62 1HB PHE 62 4.112 5.331 -7.857 498 HB3 PHE 62 2HB PHE 62 5.059 4.554 -9.123 499 HD1 PHE 62 HD2 PHE 62 6.588 2.737 -8.599 500 HD2 PHE 62 HD1 PHE 62 4.157 4.520 -5.596 501 HE1 PHE 62 HE2 PHE 62 7.028 0.827 -7.114 502 HE2 PHE 62 HE1 PHE 62 4.597 2.614 -4.105 503 HZ PHE 62 HZ PHE 62 6.037 0.763 -4.861 504 H GLU 63 H GLU 63 4.729 8.173 -8.119 505 HA GLU 63 HA GLU 63 4.895 8.682 -10.898 506 HB2 GLU 63 1HB GLU 63 4.312 10.597 -8.637 507 HB3 GLU 63 2HB GLU 63 4.163 11.000 -10.338 508 HG2 GLU 63 1HG GLU 63 2.533 9.079 -10.514 509 HG3 GLU 63 2HG GLU 63 2.534 9.049 -8.749 510 H ASP 64 H ASP 64 6.977 9.408 -8.242 511 HA ASP 64 HA ASP 64 8.629 11.376 -9.241 512 HB2 ASP 64 1HB ASP 64 8.946 10.552 -7.007 513 HB3 ASP 64 2HB ASP 64 9.288 8.928 -7.592 514 H ARG 65 H ARG 65 8.663 7.912 -9.939 515 HA ARG 65 HA ARG 65 10.879 8.307 -11.799 516 HB2 ARG 65 1HB ARG 65 9.567 5.768 -10.819 517 HB3 ARG 65 2HB ARG 65 10.974 5.844 -11.875 518 HG2 ARG 65 1HG ARG 65 12.162 7.099 -10.075 519 HG3 ARG 65 2HG ARG 65 10.780 6.790 -9.027 520 HD2 ARG 65 1HD ARG 65 12.466 4.675 -10.352 521 HD3 ARG 65 2HD ARG 65 12.631 5.203 -8.679 522 HE ARG 65 HE ARG 65 10.455 3.596 -9.810 523 HH11 ARG 65 1HH1 ARG 65 11.776 5.288 -7.033 524 HH12 ARG 65 2HH1 ARG 65 10.934 4.292 -5.873 525 HH21 ARG 65 1HH2 ARG 65 9.366 2.290 -8.280 526 HH22 ARG 65 2HH2 ARG 65 9.605 2.568 -6.578 527 H GLY 66 H GLY 66 7.683 8.676 -11.964 528 HA2 GLY 66 1HA GLY 66 6.413 9.085 -13.855 529 HA3 GLY 66 2HA GLY 66 7.720 8.439 -14.834 530 H ALA 67 H ALA 67 6.619 6.471 -12.246 531 HA ALA 67 HA ALA 67 5.586 4.574 -14.199 532 HB1 ALA 67 3HB ALA 67 7.214 3.777 -12.561 533 HB2 ALA 67 1HB ALA 67 5.668 2.950 -12.377 534 HB3 ALA 67 2HB ALA 67 6.124 4.228 -11.250 535 H MET 68 H MET 68 3.622 5.571 -14.711 536 HA MET 68 HA MET 68 1.693 6.406 -12.829 537 HB2 MET 68 1HB MET 68 1.356 5.482 -15.688 538 HB3 MET 68 2HB MET 68 0.091 6.241 -14.736 539 HG2 MET 68 1HG MET 68 2.718 7.562 -15.350 540 HG3 MET 68 2HG MET 68 1.287 7.724 -16.362 541 HE1 MET 68 3HE MET 68 2.026 7.807 -12.440 542 HE2 MET 68 1HE MET 68 1.901 9.547 -12.176 543 HE3 MET 68 2HE MET 68 3.172 8.902 -13.215 544 H GLU 69 H GLU 69 2.270 3.345 -14.467 545 HA GLU 69 HA GLU 69 -0.096 2.067 -13.555 546 HB2 GLU 69 1HB GLU 69 1.204 1.292 -15.503 547 HB3 GLU 69 2HB GLU 69 2.522 0.841 -14.432 548 HG2 GLU 69 1HG GLU 69 1.099 -0.799 -13.341 549 HG3 GLU 69 2HG GLU 69 -0.248 -0.333 -14.381 550 H ARG 70 H ARG 70 3.244 2.140 -12.361 551 HA ARG 70 HA ARG 70 2.688 0.327 -10.222 552 HB2 ARG 70 1HB ARG 70 5.053 2.169 -10.604 553 HB3 ARG 70 2HB ARG 70 4.946 0.878 -9.416 554 HG2 ARG 70 1HG ARG 70 4.622 -0.712 -11.342 555 HG3 ARG 70 2HG ARG 70 5.051 0.626 -12.408 556 HD2 ARG 70 1HD ARG 70 7.192 0.848 -11.125 557 HD3 ARG 70 2HD ARG 70 6.762 -0.630 -10.264 558 HE ARG 70 HE ARG 70 7.293 -0.444 -13.157 559 HH11 ARG 70 1HH1 ARG 70 7.194 -2.307 -10.177 560 HH12 ARG 70 2HH1 ARG 70 7.844 -3.743 -10.914 561 HH21 ARG 70 1HH2 ARG 70 8.158 -2.307 -14.101 562 HH22 ARG 70 2HH2 ARG 70 8.418 -3.735 -13.139 563 H ALA 71 H ALA 71 2.443 3.757 -10.654 564 HA ALA 71 HA ALA 71 2.276 4.506 -7.933 565 HB1 ALA 71 3HB ALA 71 0.906 5.763 -10.314 566 HB2 ALA 71 1HB ALA 71 2.533 6.140 -9.750 567 HB3 ALA 71 2HB ALA 71 1.140 6.512 -8.735 568 H ASN 72 H ASN 72 -0.220 3.634 -10.312 569 HA ASN 72 HA ASN 72 -2.325 3.593 -8.395 570 HB2 ASN 72 1HB ASN 72 -2.070 2.512 -11.194 571 HB3 ASN 72 2HB ASN 72 -3.509 2.221 -10.221 572 HD21 ASN 72 2HD2 ASN 72 -1.639 4.573 -11.950 573 HD22 ASN 72 1HD2 ASN 72 -2.822 5.834 -11.911 574 H LYS 73 H LYS 73 0.043 1.297 -9.480 575 HA LYS 73 HA LYS 73 -1.041 -1.049 -8.389 576 HB2 LYS 73 1HB LYS 73 1.032 -0.759 -9.887 577 HB3 LYS 73 2HB LYS 73 1.905 -0.392 -8.406 578 HG2 LYS 73 1HG LYS 73 2.255 -2.687 -8.919 579 HG3 LYS 73 2HG LYS 73 1.182 -2.608 -7.519 580 HD2 LYS 73 1HD LYS 73 -0.747 -2.980 -8.957 581 HD3 LYS 73 2HD LYS 73 0.299 -3.011 -10.376 582 HE2 LYS 73 1HE LYS 73 1.438 -4.987 -9.492 583 HE3 LYS 73 2HE LYS 73 0.398 -4.949 -8.069 584 HZ1 LYS 73 3HZ LYS 73 -0.419 -6.547 -9.657 585 HZ2 LYS 73 1HZ LYS 73 -0.487 -5.371 -10.876 586 HZ3 LYS 73 2HZ LYS 73 -1.519 -5.268 -9.533 587 H ALA 74 H ALA 74 0.987 1.498 -6.975 588 HA ALA 74 HA ALA 74 1.171 0.448 -4.374 589 HB1 ALA 74 3HB ALA 74 2.509 2.367 -5.160 590 HB2 ALA 74 1HB ALA 74 1.662 2.724 -3.655 591 HB3 ALA 74 2HB ALA 74 1.050 3.366 -5.181 592 H ARG 75 H ARG 75 -1.170 2.616 -5.864 593 HA ARG 75 HA ARG 75 -2.792 3.164 -3.682 594 HB2 ARG 75 1HB ARG 75 -2.900 4.322 -5.847 595 HB3 ARG 75 2HB ARG 75 -3.570 2.879 -6.590 596 HG2 ARG 75 1HG ARG 75 -5.552 3.079 -5.158 597 HG3 ARG 75 2HG ARG 75 -4.874 4.549 -4.450 598 HD2 ARG 75 1HD ARG 75 -4.858 5.609 -6.651 599 HD3 ARG 75 2HD ARG 75 -5.512 4.139 -7.370 600 HE ARG 75 HE ARG 75 -7.096 5.371 -5.258 601 HH11 ARG 75 1HH1 ARG 75 -6.555 4.934 -8.694 602 HH12 ARG 75 2HH1 ARG 75 -8.166 5.405 -9.140 603 HH21 ARG 75 1HH2 ARG 75 -9.192 6.029 -5.835 604 HH22 ARG 75 2HH2 ARG 75 -9.665 6.062 -7.506 605 H ARG 76 H ARG 76 -3.255 0.620 -6.148 606 HA ARG 76 HA ARG 76 -5.594 -0.406 -4.935 607 HB2 ARG 76 1HB ARG 76 -3.722 -1.555 -6.990 608 HB3 ARG 76 2HB ARG 76 -5.153 -2.410 -6.432 609 HG2 ARG 76 1HG ARG 76 -6.537 -0.504 -7.176 610 HG3 ARG 76 2HG ARG 76 -5.081 0.256 -7.826 611 HD2 ARG 76 1HD ARG 76 -4.733 -1.643 -9.304 612 HD3 ARG 76 2HD ARG 76 -6.144 -2.450 -8.626 613 HE ARG 76 HE ARG 76 -7.017 0.007 -9.583 614 HH11 ARG 76 1HH1 ARG 76 -5.626 -2.956 -10.810 615 HH12 ARG 76 2HH1 ARG 76 -6.319 -2.786 -12.400 616 HH21 ARG 76 1HH2 ARG 76 -7.964 0.233 -11.659 617 HH22 ARG 76 2HH2 ARG 76 -7.662 -0.967 -12.880 618 H ARG 77 H ARG 77 -2.187 -1.373 -4.695 619 HA ARG 77 HA ARG 77 -2.700 -3.746 -3.239 620 HB2 ARG 77 1HB ARG 77 -0.239 -2.036 -3.506 621 HB3 ARG 77 2HB ARG 77 -0.270 -3.485 -2.509 622 HG2 ARG 77 1HG ARG 77 -0.824 -4.837 -4.451 623 HG3 ARG 77 2HG ARG 77 -0.861 -3.390 -5.462 624 HD2 ARG 77 1HD ARG 77 1.530 -4.474 -3.977 625 HD3 ARG 77 2HD ARG 77 1.251 -4.571 -5.716 626 HE ARG 77 HE ARG 77 1.126 -1.916 -5.227 627 HH11 ARG 77 1HH1 ARG 77 3.481 -4.384 -4.466 628 HH12 ARG 77 2HH1 ARG 77 4.830 -3.301 -4.486 629 HH21 ARG 77 1HH2 ARG 77 2.896 -0.463 -5.262 630 HH22 ARG 77 2HH2 ARG 77 4.494 -1.052 -4.945 631 H CYS 78 H CYS 78 -2.022 -0.415 -2.215 632 HA CYS 78 HA CYS 78 -2.021 -0.946 0.552 633 HB2 CYS 78 1HB CYS 78 -2.822 1.576 -0.916 634 HB3 CYS 78 2HB CYS 78 -2.553 1.467 0.820 635 HG CYS 78 HG CYS 78 -0.294 1.425 -1.703 636 H GLY 79 H GLY 79 -4.627 -0.051 -1.691 637 HA2 GLY 79 1HA GLY 79 -6.753 -0.053 0.127 638 HA3 GLY 79 2HA GLY 79 -6.887 -0.422 -1.586 639 H GLU 80 H GLU 80 -5.173 -2.708 -1.543 640 HA GLU 80 HA GLU 80 -7.010 -4.722 -0.789 641 HB2 GLU 80 1HB GLU 80 -5.509 -5.093 -2.634 642 HB3 GLU 80 2HB GLU 80 -4.105 -4.843 -1.608 643 HG2 GLU 80 1HG GLU 80 -4.362 -7.178 -2.065 644 HG3 GLU 80 2HG GLU 80 -4.678 -6.878 -0.359 645 H VAL 81 H VAL 81 -3.938 -3.616 0.624 646 HA VAL 81 HA VAL 81 -3.916 -5.343 2.838 647 HB VAL 81 HB VAL 81 -2.847 -2.514 2.670 648 HG11 VAL 81 1HG1 VAL 81 -1.391 -3.142 4.524 649 HG12 VAL 81 2HG1 VAL 81 -2.154 -4.730 4.600 650 HG13 VAL 81 3HG1 VAL 81 -3.088 -3.283 4.982 651 HG21 VAL 81 3HG2 VAL 81 -1.487 -5.162 2.178 652 HG22 VAL 81 1HG2 VAL 81 -0.691 -3.588 2.196 653 HG23 VAL 81 2HG2 VAL 81 -1.893 -3.954 0.960 654 H PHE 82 H PHE 82 -5.340 -2.131 2.379 655 HA PHE 82 HA PHE 82 -6.450 -1.762 4.911 656 HB2 PHE 82 1HB PHE 82 -7.494 -0.905 2.202 657 HB3 PHE 82 2HB PHE 82 -8.169 -0.355 3.728 658 HD1 PHE 82 HD1 PHE 82 -5.453 -0.099 5.158 659 HD2 PHE 82 HD2 PHE 82 -6.873 1.230 1.376 660 HE1 PHE 82 HE1 PHE 82 -3.849 1.763 5.215 661 HE2 PHE 82 HE2 PHE 82 -5.265 3.089 1.421 662 HZ PHE 82 HZ PHE 82 -3.752 3.359 3.344 663 H ARG 83 H ARG 83 -7.887 -3.254 2.019 664 HA ARG 83 HA ARG 83 -10.356 -3.951 3.105 665 HB2 ARG 83 1HB ARG 83 -9.788 -4.075 0.695 666 HB3 ARG 83 2HB ARG 83 -8.775 -5.475 1.021 667 HG2 ARG 83 1HG ARG 83 -10.811 -6.636 1.894 668 HG3 ARG 83 2HG ARG 83 -11.761 -5.268 1.314 669 HD2 ARG 83 1HD ARG 83 -11.832 -7.020 -0.330 670 HD3 ARG 83 2HD ARG 83 -10.878 -5.678 -0.962 671 HE ARG 83 HE ARG 83 -8.954 -6.987 -0.838 672 HH11 ARG 83 1HH1 ARG 83 -11.723 -8.688 0.517 673 HH12 ARG 83 2HH1 ARG 83 -10.931 -10.237 0.477 674 HH21 ARG 83 1HH2 ARG 83 -7.933 -9.024 -0.880 675 HH22 ARG 83 2HH2 ARG 83 -8.792 -10.429 -0.293 676 H TYR 84 H TYR 84 -7.383 -5.874 2.885 677 HA TYR 84 HA TYR 84 -8.283 -8.211 4.080 678 HB2 TYR 84 1HB TYR 84 -6.124 -8.001 2.931 679 HB3 TYR 84 2HB TYR 84 -5.528 -6.961 4.218 680 HD1 TYR 84 HD1 TYR 84 -7.033 -10.366 3.809 681 HD2 TYR 84 HD2 TYR 84 -4.182 -7.928 5.818 682 HE1 TYR 84 HE1 TYR 84 -6.177 -12.349 4.988 683 HE2 TYR 84 HE2 TYR 84 -3.322 -9.902 7.007 684 HH TYR 84 HH TYR 84 -3.940 -12.104 7.631 685 H ALA 85 H ALA 85 -6.889 -5.319 5.581 686 HA ALA 85 HA ALA 85 -6.938 -6.349 8.226 687 HB1 ALA 85 3HB ALA 85 -6.896 -3.470 7.354 688 HB2 ALA 85 1HB ALA 85 -5.478 -4.506 7.514 689 HB3 ALA 85 2HB ALA 85 -6.440 -4.103 8.936 690 H ILE 86 H ILE 86 -9.235 -4.441 6.326 691 HA ILE 86 HA ILE 86 -11.019 -3.883 8.438 692 HB ILE 86 HB ILE 86 -11.562 -4.170 5.477 693 HG12 ILE 86 1HG1 ILE 86 -11.254 -1.731 7.244 694 HG13 ILE 86 2HG1 ILE 86 -10.045 -2.331 6.113 695 HG21 ILE 86 1HG2 ILE 86 -13.372 -3.077 7.631 696 HG22 ILE 86 2HG2 ILE 86 -13.616 -4.570 6.724 697 HG23 ILE 86 3HG2 ILE 86 -13.682 -3.014 5.896 698 HD11 ILE 86 3HD1 ILE 86 -11.246 -0.432 5.196 699 HD12 ILE 86 1HD1 ILE 86 -12.775 -1.288 5.391 700 HD13 ILE 86 2HD1 ILE 86 -11.566 -1.890 4.257 701 H VAL 87 H VAL 87 -10.808 -6.609 6.186 702 HA VAL 87 HA VAL 87 -13.165 -7.915 7.003 703 HB VAL 87 HB VAL 87 -10.660 -9.156 5.843 704 HG11 VAL 87 1HG1 VAL 87 -13.492 -10.196 5.940 705 HG12 VAL 87 2HG1 VAL 87 -12.122 -10.826 6.857 706 HG13 VAL 87 3HG1 VAL 87 -12.141 -10.956 5.098 707 HG21 VAL 87 3HG2 VAL 87 -11.817 -8.968 3.694 708 HG22 VAL 87 1HG2 VAL 87 -11.553 -7.387 4.429 709 HG23 VAL 87 2HG2 VAL 87 -13.151 -8.130 4.487 710 H THR 88 H THR 88 -9.830 -8.160 8.193 711 HA THR 88 HA THR 88 -10.556 -10.211 10.092 712 HB THR 88 HB THR 88 -8.308 -10.247 9.139 713 HG1 THR 88 HG1 THR 88 -8.716 -10.955 11.384 714 HG21 THR 88 3HG2 THR 88 -7.870 -7.641 10.595 715 HG22 THR 88 1HG2 THR 88 -7.970 -7.842 8.846 716 HG23 THR 88 2HG2 THR 88 -6.638 -8.570 9.743 717 H GLY 89 H GLY 89 -10.853 -6.867 9.983 718 HA2 GLY 89 1HA GLY 89 -11.936 -5.557 11.576 719 HA3 GLY 89 2HA GLY 89 -11.730 -6.850 12.744 720 H ARG 90 H ARG 90 -8.965 -5.744 10.978 721 HA ARG 90 HA ARG 90 -7.927 -4.519 13.434 722 HB2 ARG 90 1HB ARG 90 -6.501 -5.378 10.907 723 HB3 ARG 90 2HB ARG 90 -5.716 -4.648 12.303 724 HG2 ARG 90 1HG ARG 90 -6.383 -6.531 13.689 725 HG3 ARG 90 2HG ARG 90 -7.224 -7.257 12.318 726 HD2 ARG 90 1HD ARG 90 -5.060 -7.337 11.107 727 HD3 ARG 90 2HD ARG 90 -4.265 -6.741 12.563 728 HE ARG 90 HE ARG 90 -5.637 -8.943 13.401 729 HH11 ARG 90 1HH1 ARG 90 -3.261 -8.336 10.907 730 HH12 ARG 90 2HH1 ARG 90 -2.599 -9.946 10.954 731 HH21 ARG 90 1HH2 ARG 90 -4.757 -11.056 13.495 732 HH22 ARG 90 2HH2 ARG 90 -3.441 -11.479 12.436 733 H ALA 91 H ALA 91 -9.372 -3.715 10.571 734 HA ALA 91 HA ALA 91 -8.649 -0.901 10.964 735 HB1 ALA 91 3HB ALA 91 -9.003 -2.231 8.274 736 HB2 ALA 91 1HB ALA 91 -7.469 -1.689 8.956 737 HB3 ALA 91 2HB ALA 91 -8.719 -0.513 8.553 738 H LYS 92 H LYS 92 -10.409 0.499 10.836 739 HA LYS 92 HA LYS 92 -12.986 -0.878 10.944 740 HB2 LYS 92 1HB LYS 92 -12.173 0.736 12.758 741 HB3 LYS 92 2HB LYS 92 -12.464 2.021 11.593 742 HG2 LYS 92 1HG LYS 92 -14.810 1.437 11.482 743 HG3 LYS 92 2HG LYS 92 -14.542 0.076 12.573 744 HD2 LYS 92 1HD LYS 92 -13.738 1.720 14.284 745 HD3 LYS 92 2HD LYS 92 -14.261 3.011 13.199 746 HE2 LYS 92 1HE LYS 92 -16.546 2.114 13.257 747 HE3 LYS 92 2HE LYS 92 -16.013 0.851 14.365 748 HZ1 LYS 92 3HZ LYS 92 -15.340 2.667 15.914 749 HZ2 LYS 92 1HZ LYS 92 -17.014 2.557 15.641 750 HZ3 LYS 92 2HZ LYS 92 -16.109 3.771 14.877 751 H TYR 93 H TYR 93 -11.444 1.902 9.404 752 HA TYR 93 HA TYR 93 -12.983 1.365 6.999 753 HB2 TYR 93 1HB TYR 93 -13.804 3.589 6.712 754 HB3 TYR 93 2HB TYR 93 -14.259 3.103 8.339 755 HD1 TYR 93 HD1 TYR 93 -12.900 3.991 10.290 756 HD2 TYR 93 HD2 TYR 93 -12.493 5.493 6.329 757 HE1 TYR 93 HE1 TYR 93 -11.853 6.034 11.175 758 HE2 TYR 93 HE2 TYR 93 -11.442 7.533 7.203 759 HH TYR 93 HH TYR 93 -10.296 7.820 10.353 760 H ASN 94 H ASN 94 -11.937 2.210 5.102 761 HA ASN 94 HA ASN 94 -9.102 2.749 5.629 762 HB2 ASN 94 1HB ASN 94 -8.638 1.812 3.413 763 HB3 ASN 94 2HB ASN 94 -9.479 0.661 4.440 764 HD21 ASN 94 2HD2 ASN 94 -9.241 0.674 1.593 765 HD22 ASN 94 1HD2 ASN 94 -10.848 0.739 0.950 766 HA PRO 95 HA PRO 95 -9.644 6.770 3.902 767 HB2 PRO 95 1HB PRO 95 -6.755 6.952 3.650 768 HB3 PRO 95 2HB PRO 95 -7.817 7.755 4.806 769 HG2 PRO 95 1HG PRO 95 -6.048 5.820 5.516 770 HG3 PRO 95 2HG PRO 95 -7.571 6.103 6.378 771 HD2 PRO 95 1HD PRO 95 -6.914 4.020 4.324 772 HD3 PRO 95 2HD PRO 95 -7.833 3.860 5.838 773 H ALA 96 H ALA 96 -9.676 4.498 2.017 774 HA ALA 96 HA ALA 96 -7.990 5.068 -0.192 775 HB1 ALA 96 3HB ALA 96 -10.601 3.560 -0.149 776 HB2 ALA 96 1HB ALA 96 -9.001 2.869 0.119 777 HB3 ALA 96 2HB ALA 96 -9.416 3.548 -1.456 778 HA PRO 97 HA PRO 97 -11.899 7.559 -1.858 779 HB2 PRO 97 1HB PRO 97 -13.231 8.760 0.259 780 HB3 PRO 97 2HB PRO 97 -13.826 7.371 -0.655 781 HG2 PRO 97 1HG PRO 97 -12.422 7.446 1.982 782 HG3 PRO 97 2HG PRO 97 -13.767 6.418 1.455 783 HD2 PRO 97 1HD PRO 97 -11.266 5.479 1.589 784 HD3 PRO 97 2HD PRO 97 -12.371 4.975 0.292 785 H ASP 98 H ASP 98 -10.463 8.382 1.281 786 HA ASP 98 HA ASP 98 -10.067 11.117 0.844 787 HB2 ASP 98 1HB ASP 98 -8.475 9.176 2.536 788 HB3 ASP 98 2HB ASP 98 -8.280 10.924 2.592 789 H LEU 99 H LEU 99 -8.036 8.328 0.113 790 HA LEU 99 HA LEU 99 -5.719 9.600 -0.720 791 HB2 LEU 99 1HB LEU 99 -6.041 7.149 -0.417 792 HB3 LEU 99 2HB LEU 99 -6.967 7.109 -1.899 793 HG LEU 99 HG LEU 99 -4.537 6.312 -1.981 794 HD11 LEU 99 1HD1 LEU 99 -4.165 7.248 -4.211 795 HD12 LEU 99 2HD1 LEU 99 -5.447 8.426 -3.927 796 HD13 LEU 99 3HD1 LEU 99 -5.829 6.705 -3.995 797 HD21 LEU 99 3HD2 LEU 99 -4.055 9.284 -1.924 798 HD22 LEU 99 1HD2 LEU 99 -2.858 8.054 -2.327 799 HD23 LEU 99 2HD2 LEU 99 -3.543 8.118 -0.704 800 H ALA 100 H ALA 100 -8.606 8.784 -2.615 801 HA ALA 100 HA ALA 100 -7.603 9.770 -5.077 802 HB1 ALA 100 3HB ALA 100 -9.886 9.540 -5.885 803 HB2 ALA 100 1HB ALA 100 -10.466 9.348 -4.229 804 HB3 ALA 100 2HB ALA 100 -9.412 8.126 -4.942 805 H ASP 101 H ASP 101 -9.627 11.188 -2.547 806 HA ASP 101 HA ASP 101 -10.216 13.564 -4.003 807 HB2 ASP 101 1HB ASP 101 -11.455 12.541 -1.963 808 HB3 ASP 101 2HB ASP 101 -10.256 13.400 -1.002 809 H ALA 102 H ALA 102 -7.780 12.673 -1.626 810 HA ALA 102 HA ALA 102 -6.607 15.229 -1.337 811 HB1 ALA 102 3HB ALA 102 -4.687 14.040 -0.396 812 HB2 ALA 102 1HB ALA 102 -5.346 12.511 -0.977 813 HB3 ALA 102 2HB ALA 102 -6.205 13.429 0.261 814 H MET 103 H MET 103 -6.060 12.574 -3.594 815 HA MET 103 HA MET 103 -3.803 13.535 -4.916 816 HB2 MET 103 1HB MET 103 -4.768 11.299 -5.288 817 HB3 MET 103 2HB MET 103 -6.153 12.031 -6.084 818 HG2 MET 103 1HG MET 103 -4.645 12.924 -7.817 819 HG3 MET 103 2HG MET 103 -3.299 12.098 -7.030 820 HE1 MET 103 3HE MET 103 -4.575 9.386 -6.082 821 HE2 MET 103 1HE MET 103 -3.018 9.483 -6.908 822 HE3 MET 103 2HE MET 103 -4.242 8.341 -7.463 823 H LYS 104 H LYS 104 -7.224 14.218 -5.460 824 HA LYS 104 HA LYS 104 -6.865 15.980 -7.645 825 HB2 LYS 104 1HB LYS 104 -9.106 15.995 -5.620 826 HB3 LYS 104 2HB LYS 104 -9.148 16.697 -7.231 827 HG2 LYS 104 1HG LYS 104 -8.966 14.482 -8.215 828 HG3 LYS 104 2HG LYS 104 -8.881 13.766 -6.604 829 HD2 LYS 104 1HD LYS 104 -11.115 14.802 -6.132 830 HD3 LYS 104 2HD LYS 104 -11.196 15.248 -7.837 831 HE2 LYS 104 1HE LYS 104 -11.003 12.890 -8.461 832 HE3 LYS 104 2HE LYS 104 -10.923 12.446 -6.755 833 HZ1 LYS 104 3HZ LYS 104 -13.154 13.584 -6.548 834 HZ2 LYS 104 1HZ LYS 104 -13.133 12.116 -7.401 835 HZ3 LYS 104 2HZ LYS 104 -13.216 13.579 -8.247 836 H GLY 105 H GLY 105 -7.194 16.509 -4.171 837 HA2 GLY 105 1HA GLY 105 -7.098 19.330 -4.234 838 HA3 GLY 105 2HA GLY 105 -6.733 18.322 -2.841 839 H TYR 106 H TYR 106 -4.585 16.903 -4.251 840 HA TYR 106 HA TYR 106 -2.433 18.619 -3.574 841 HB2 TYR 106 1HB TYR 106 -2.596 15.985 -3.708 842 HB3 TYR 106 2HB TYR 106 -2.046 16.245 -5.360 843 HD1 TYR 106 HD2 TYR 106 0.146 17.545 -5.691 844 HD2 TYR 106 HD1 TYR 106 -1.079 15.959 -1.938 845 HE1 TYR 106 HE2 TYR 106 2.465 17.679 -4.883 846 HE2 TYR 106 HE1 TYR 106 1.233 16.097 -1.117 847 HH TYR 106 HH TYR 106 3.574 17.909 -2.551 848 H ARG 107 H ARG 107 -3.864 17.611 -6.649 849 HA ARG 107 HA ARG 107 -1.946 19.054 -8.228 850 HB2 ARG 107 1HB ARG 107 -3.519 16.969 -8.801 851 HB3 ARG 107 2HB ARG 107 -4.583 18.248 -9.368 852 HG2 ARG 107 1HG ARG 107 -1.726 18.080 -10.264 853 HG3 ARG 107 2HG ARG 107 -2.997 17.149 -11.054 854 HD2 ARG 107 1HD ARG 107 -4.089 19.070 -11.814 855 HD3 ARG 107 2HD ARG 107 -3.253 20.110 -10.662 856 HE ARG 107 HE ARG 107 -1.186 19.509 -12.041 857 HH11 ARG 107 1HH1 ARG 107 -4.408 19.713 -13.401 858 HH12 ARG 107 2HH1 ARG 107 -3.861 20.269 -14.952 859 HH21 ARG 107 1HH2 ARG 107 -0.464 20.236 -14.089 860 HH22 ARG 107 2HH2 ARG 107 -1.620 20.555 -15.341 861 H LYS 108 H LYS 108 -4.749 19.851 -6.509 862 HA LYS 108 HA LYS 108 -5.727 22.028 -8.049 863 HB2 LYS 108 1HB LYS 108 -7.043 20.854 -6.322 864 HB3 LYS 108 2HB LYS 108 -5.959 21.464 -5.083 865 HG2 LYS 108 1HG LYS 108 -6.657 23.770 -5.681 866 HG3 LYS 108 2HG LYS 108 -7.835 23.076 -6.800 867 HD2 LYS 108 1HD LYS 108 -8.901 21.888 -4.946 868 HD3 LYS 108 2HD LYS 108 -7.713 22.560 -3.829 869 HE2 LYS 108 1HE LYS 108 -9.774 23.813 -3.676 870 HE3 LYS 108 2HE LYS 108 -8.514 24.824 -4.380 871 HZ1 LYS 108 3HZ LYS 108 -9.460 24.652 -6.496 872 HZ2 LYS 108 1HZ LYS 108 -10.785 24.886 -5.464 873 HZ3 LYS 108 2HZ LYS 108 -10.438 23.336 -6.066 874 H LYS 109 H LYS 109 -2.942 21.629 -6.167 875 HA LYS 109 HA LYS 109 -2.518 24.541 -6.063 876 HB2 LYS 109 1HB LYS 109 -2.852 23.699 -3.819 877 HB3 LYS 109 2HB LYS 109 -1.672 22.426 -4.076 878 HG2 LYS 109 1HG LYS 109 0.123 23.997 -4.100 879 HG3 LYS 109 2HG LYS 109 -1.003 25.359 -4.105 880 HD2 LYS 109 1HD LYS 109 -1.709 24.911 -1.897 881 HD3 LYS 109 2HD LYS 109 -0.955 23.317 -1.899 882 HE2 LYS 109 1HE LYS 109 0.528 25.937 -2.035 883 HE3 LYS 109 2HE LYS 109 0.291 24.985 -0.570 884 HZ1 LYS 109 3HZ LYS 109 2.389 24.375 -1.325 885 HZ2 LYS 109 1HZ LYS 109 1.911 24.328 -2.953 886 HZ3 LYS 109 2HZ LYS 109 1.394 23.118 -1.886 887 H ASN 110 H ASN 110 -0.873 25.193 -7.300 888 HA ASN 110 HA ASN 110 0.909 23.183 -8.436 889 HB2 ASN 110 1HB ASN 110 -0.216 24.859 -9.908 890 HB3 ASN 110 2HB ASN 110 0.707 26.127 -9.108 891 HD21 ASN 110 2HD2 ASN 110 1.812 26.768 -10.929 892 HD22 ASN 110 1HD2 ASN 110 3.019 25.779 -11.690 893 H LEU 111 H LEU 111 3.067 23.081 -8.115 894 HA LEU 111 HA LEU 111 4.110 24.353 -5.767 895 HB2 LEU 111 1HB LEU 111 5.436 22.568 -7.810 896 HB3 LEU 111 2HB LEU 111 6.176 23.090 -6.309 897 HG LEU 111 HG LEU 111 3.680 21.408 -6.501 898 HD11 LEU 111 1HD1 LEU 111 5.664 20.206 -7.283 899 HD12 LEU 111 2HD1 LEU 111 5.090 19.570 -5.741 900 HD13 LEU 111 3HD1 LEU 111 6.503 20.624 -5.789 901 HD21 LEU 111 3HD2 LEU 111 3.757 22.775 -4.486 902 HD22 LEU 111 1HD2 LEU 111 5.381 22.182 -4.136 903 HD23 LEU 111 2HD2 LEU 111 4.012 21.072 -4.102 904 H GLU 112 H GLU 112 5.412 26.052 -5.606 905 HA GLU 112 HA GLU 112 5.890 27.665 -7.965 906 HB2 GLU 112 1HB GLU 112 5.107 28.710 -5.882 907 HB3 GLU 112 2HB GLU 112 6.549 28.149 -5.049 908 HG2 GLU 112 1HG GLU 112 7.883 29.515 -6.696 909 HG3 GLU 112 2HG GLU 112 6.354 30.219 -7.217 910 H HIS 113 H HIS 113 7.899 28.214 -8.804 911 HA HIS 113 HA HIS 113 10.148 26.593 -7.843 912 HB2 HIS 113 1HB HIS 113 9.750 28.015 -10.483 913 HB3 HIS 113 2HB HIS 113 11.236 27.195 -10.015 914 HD1 HIS 113 HD1 HIS 113 11.129 24.557 -9.840 915 HD2 HIS 113 HD2 HIS 113 7.715 26.381 -11.381 916 HE1 HIS 113 HE1 HIS 113 9.796 22.715 -10.911 917 HE2 HIS 113 HE2 HIS 113 7.810 23.858 -11.960 918 H HIS 114 H HIS 114 12.272 27.602 -7.771 919 HA HIS 114 HA HIS 114 12.142 29.986 -6.219 920 HB2 HIS 114 1HB HIS 114 14.570 28.603 -7.384 921 HB3 HIS 114 2HB HIS 114 14.597 29.838 -6.132 922 HD1 HIS 114 HD1 HIS 114 15.461 26.658 -6.087 923 HD2 HIS 114 HD2 HIS 114 12.266 28.518 -4.183 924 HE1 HIS 114 HE1 HIS 114 14.836 25.146 -4.174 925 HE2 HIS 114 HE2 HIS 114 12.964 26.336 -2.978 926 H HIS 115 H HIS 115 13.091 29.262 -9.529 927 HA HIS 115 HA HIS 115 13.932 31.944 -10.105 928 HB2 HIS 115 1HB HIS 115 14.761 29.897 -11.320 929 HB3 HIS 115 2HB HIS 115 13.177 29.775 -12.074 930 HD1 HIS 115 HD1 HIS 115 15.952 32.372 -11.774 931 HD2 HIS 115 HD2 HIS 115 13.055 31.066 -14.461 932 HE1 HIS 115 HE1 HIS 115 16.342 33.683 -13.886 933 HE2 HIS 115 HE2 HIS 115 14.726 32.717 -15.559 934 H HIS 116 H HIS 116 12.002 32.902 -9.182 935 HA HIS 116 HA HIS 116 10.102 33.656 -11.185 936 HB2 HIS 116 1HB HIS 116 9.191 31.456 -10.472 937 HB3 HIS 116 2HB HIS 116 9.107 32.040 -8.818 938 HD1 HIS 116 HD1 HIS 116 7.914 33.798 -11.981 939 HD2 HIS 116 HD2 HIS 116 6.437 32.256 -8.409 940 HE1 HIS 116 HE1 HIS 116 5.466 34.372 -11.952 941 HE2 HIS 116 HE2 HIS 116 4.557 33.273 -9.871 942 H HIS 117 H HIS 117 11.943 34.252 -8.587 943 HA HIS 117 HA HIS 117 10.164 36.316 -7.462 944 HB2 HIS 117 1HB HIS 117 12.523 34.871 -6.239 945 HB3 HIS 117 2HB HIS 117 11.751 36.266 -5.497 946 HD1 HIS 117 HD1 HIS 117 9.381 35.918 -4.479 947 HD2 HIS 117 HD2 HIS 117 11.134 32.463 -6.008 948 HE1 HIS 117 HE1 HIS 117 8.010 34.007 -3.592 949 HE2 HIS 117 HE2 HIS 117 8.990 31.938 -4.644 950 H HIS 118 H HIS 118 11.756 36.500 -9.896 951 HA HIS 118 HA HIS 118 13.161 37.886 -10.999 952 HB2 HIS 118 1HB HIS 118 11.918 39.671 -9.769 953 HB3 HIS 118 2HB HIS 118 13.120 39.582 -8.487 954 HD1 HIS 118 HD1 HIS 118 14.937 41.257 -8.682 955 HD2 HIS 118 HD2 HIS 118 13.251 40.356 -12.377 956 HE1 HIS 118 HE1 HIS 118 16.060 42.784 -10.330 957 HE2 HIS 118 HE2 HIS 118 14.901 42.345 -12.524 Start of MODEL 3 1 H1 SER 1 1H SER 1 4.219 -5.622 18.926 2 H2 SER 1 2H SER 1 5.617 -4.765 18.499 3 H3 SER 1 3H SER 1 5.603 -6.459 18.415 4 HA SER 1 HA SER 1 3.996 -4.610 16.751 5 HB2 SER 1 1HB SER 1 6.300 -6.426 16.004 6 HB3 SER 1 2HB SER 1 5.425 -5.345 14.917 7 HG SER 1 HG SER 1 7.153 -4.174 15.482 8 H SER 2 H SER 2 3.577 -7.304 18.429 9 HA SER 2 HA SER 2 2.869 -9.158 16.337 10 HB2 SER 2 1HB SER 2 2.352 -9.314 19.315 11 HB3 SER 2 2HB SER 2 2.207 -10.639 18.161 12 HG SER 2 HG SER 2 4.323 -10.050 19.498 13 H ASN 3 H ASN 3 1.113 -8.876 15.184 14 HA ASN 3 HA ASN 3 -1.031 -8.537 14.536 15 HB2 ASN 3 1HB ASN 3 -1.345 -10.095 16.637 16 HB3 ASN 3 2HB ASN 3 -2.013 -8.641 17.369 17 HD21 ASN 3 2HD2 ASN 3 -3.422 -11.051 16.867 18 HD22 ASN 3 1HD2 ASN 3 -4.679 -10.698 15.729 19 H ASN 4 H ASN 4 0.713 -6.323 15.519 20 HA ASN 4 HA ASN 4 -0.963 -4.323 16.648 21 HB2 ASN 4 1HB ASN 4 1.676 -4.228 15.195 22 HB3 ASN 4 2HB ASN 4 0.844 -2.756 15.683 23 HD21 ASN 4 2HD2 ASN 4 2.554 -2.215 17.042 24 HD22 ASN 4 1HD2 ASN 4 2.793 -3.003 18.569 25 H ASN 5 H ASN 5 -1.478 -2.258 15.476 26 HA ASN 5 HA ASN 5 -2.779 -2.966 12.970 27 HB2 ASN 5 1HB ASN 5 -2.971 -0.470 14.668 28 HB3 ASN 5 2HB ASN 5 -3.870 -0.731 13.178 29 HD21 ASN 5 2HD2 ASN 5 -4.166 -3.619 13.822 30 HD22 ASN 5 1HD2 ASN 5 -5.414 -3.690 15.018 31 H SER 6 H SER 6 0.204 -2.075 13.671 32 HA SER 6 HA SER 6 0.782 0.092 11.989 33 HB2 SER 6 1HB SER 6 2.565 -2.264 12.658 34 HB3 SER 6 2HB SER 6 3.092 -0.678 12.094 35 HG SER 6 HG SER 6 2.960 -1.321 14.530 36 H PHE 7 H PHE 7 1.310 0.238 9.845 37 HA PHE 7 HA PHE 7 -0.048 -1.471 8.103 38 HB2 PHE 7 1HB PHE 7 0.593 0.945 7.707 39 HB3 PHE 7 2HB PHE 7 2.212 0.374 7.320 40 HD1 PHE 7 HD2 PHE 7 2.618 -0.926 5.283 41 HD2 PHE 7 HD1 PHE 7 -1.241 0.623 6.200 42 HE1 PHE 7 HE2 PHE 7 1.916 -1.309 2.957 43 HE2 PHE 7 HE1 PHE 7 -1.949 0.244 3.872 44 HZ PHE 7 HZ PHE 7 -0.370 -0.722 2.248 45 H SER 8 H SER 8 3.443 -1.246 8.808 46 HA SER 8 HA SER 8 4.267 -3.137 6.908 47 HB2 SER 8 1HB SER 8 5.797 -1.577 8.071 48 HB3 SER 8 2HB SER 8 5.587 -2.502 9.557 49 HG SER 8 HG SER 8 6.243 -4.248 7.720 50 H ALA 9 H ALA 9 3.138 -3.541 10.223 51 HA ALA 9 HA ALA 9 3.809 -6.257 10.529 52 HB1 ALA 9 3HB ALA 9 2.204 -6.267 12.360 53 HB2 ALA 9 1HB ALA 9 1.531 -4.736 11.799 54 HB3 ALA 9 2HB ALA 9 3.186 -4.803 12.404 55 H ILE 10 H ILE 10 0.789 -4.700 9.484 56 HA ILE 10 HA ILE 10 -0.572 -7.131 8.963 57 HB ILE 10 HB ILE 10 -1.102 -4.370 7.856 58 HG12 ILE 10 1HG1 ILE 10 -2.272 -5.817 10.243 59 HG13 ILE 10 2HG1 ILE 10 -1.148 -4.464 10.310 60 HG21 ILE 10 1HG2 ILE 10 -2.897 -6.795 7.968 61 HG22 ILE 10 2HG2 ILE 10 -2.173 -6.107 6.514 62 HG23 ILE 10 3HG2 ILE 10 -3.372 -5.187 7.425 63 HD11 ILE 10 3HD1 ILE 10 -3.940 -4.386 9.196 64 HD12 ILE 10 1HD1 ILE 10 -2.819 -3.027 9.270 65 HD13 ILE 10 2HD1 ILE 10 -3.422 -3.753 10.758 66 H TYR 11 H TYR 11 1.351 -4.929 6.982 67 HA TYR 11 HA TYR 11 1.025 -6.110 4.487 68 HB2 TYR 11 1HB TYR 11 2.237 -4.166 4.320 69 HB3 TYR 11 2HB TYR 11 3.159 -4.489 5.782 70 HD1 TYR 11 HD1 TYR 11 2.830 -5.555 2.219 71 HD2 TYR 11 HD2 TYR 11 5.336 -5.300 5.652 72 HE1 TYR 11 HE1 TYR 11 4.747 -6.306 0.872 73 HE2 TYR 11 HE2 TYR 11 7.254 -6.047 4.313 74 HH TYR 11 HH TYR 11 7.652 -7.348 2.248 75 H LYS 12 H LYS 12 3.255 -6.975 7.108 76 HA LYS 12 HA LYS 12 4.703 -8.937 5.730 77 HB2 LYS 12 1HB LYS 12 5.383 -8.004 7.914 78 HB3 LYS 12 2HB LYS 12 4.038 -8.837 8.681 79 HG2 LYS 12 1HG LYS 12 6.025 -10.090 9.081 80 HG3 LYS 12 2HG LYS 12 5.029 -10.991 7.941 81 HD2 LYS 12 1HD LYS 12 6.407 -10.100 6.088 82 HD3 LYS 12 2HD LYS 12 7.438 -9.298 7.276 83 HE2 LYS 12 1HE LYS 12 7.820 -11.569 8.300 84 HE3 LYS 12 2HE LYS 12 7.007 -12.253 6.894 85 HZ1 LYS 12 3HZ LYS 12 8.693 -11.446 5.468 86 HZ2 LYS 12 1HZ LYS 12 9.478 -12.191 6.771 87 HZ3 LYS 12 2HZ LYS 12 9.392 -10.500 6.693 88 H GLU 13 H GLU 13 1.797 -9.236 7.767 89 HA GLU 13 HA GLU 13 1.506 -12.034 7.418 90 HB2 GLU 13 1HB GLU 13 0.436 -10.648 9.226 91 HB3 GLU 13 2HB GLU 13 -0.682 -10.034 8.014 92 HG2 GLU 13 1HG GLU 13 -1.452 -12.335 7.597 93 HG3 GLU 13 2HG GLU 13 -0.381 -12.901 8.878 94 H TRP 14 H TRP 14 0.048 -9.248 5.786 95 HA TRP 14 HA TRP 14 -1.656 -10.596 4.015 96 HB2 TRP 14 1HB TRP 14 -1.861 -8.220 4.277 97 HB3 TRP 14 2HB TRP 14 -0.186 -7.958 3.812 98 HD1 TRP 14 HD1 TRP 14 -3.540 -9.043 2.223 99 HE1 TRP 14 HE1 TRP 14 -3.486 -8.402 -0.278 100 HE3 TRP 14 HE3 TRP 14 1.261 -7.303 1.926 101 HZ2 TRP 14 HZ2 TRP 14 -1.664 -7.302 -2.110 102 HZ3 TRP 14 HZ3 TRP 14 2.078 -6.465 -0.240 103 HH2 TRP 14 HH2 TRP 14 0.644 -6.468 -2.218 104 H TYR 15 H TYR 15 1.671 -9.425 3.451 105 HA TYR 15 HA TYR 15 1.903 -10.348 0.834 106 HB2 TYR 15 1HB TYR 15 3.562 -8.837 1.525 107 HB3 TYR 15 2HB TYR 15 3.959 -9.785 2.955 108 HD1 TYR 15 HD2 TYR 15 3.899 -10.227 -0.764 109 HD2 TYR 15 HD1 TYR 15 5.928 -10.968 2.901 110 HE1 TYR 15 HE2 TYR 15 5.693 -11.371 -1.995 111 HE2 TYR 15 HE1 TYR 15 7.724 -12.115 1.686 112 HH TYR 15 HH TYR 15 8.094 -11.904 -1.664 113 H GLU 16 H GLU 16 2.960 -11.961 3.836 114 HA GLU 16 HA GLU 16 4.102 -14.176 2.555 115 HB2 GLU 16 1HB GLU 16 4.534 -13.551 4.904 116 HB3 GLU 16 2HB GLU 16 2.904 -14.059 5.326 117 HG2 GLU 16 1HG GLU 16 3.421 -16.337 4.694 118 HG3 GLU 16 2HG GLU 16 5.036 -15.848 4.177 119 H HIS 17 H HIS 17 0.808 -13.504 3.501 120 HA HIS 17 HA HIS 17 -0.109 -16.187 3.036 121 HB2 HIS 17 1HB HIS 17 -1.231 -14.642 4.629 122 HB3 HIS 17 2HB HIS 17 -1.716 -13.634 3.268 123 HD1 HIS 17 HD1 HIS 17 -2.483 -16.861 4.973 124 HD2 HIS 17 HD2 HIS 17 -3.820 -14.608 1.751 125 HE1 HIS 17 HE1 HIS 17 -4.639 -17.943 4.254 126 HE2 HIS 17 HE2 HIS 17 -5.506 -16.477 2.389 127 H LYS 18 H LYS 18 -0.170 -13.124 1.249 128 HA LYS 18 HA LYS 18 -1.706 -14.238 -0.913 129 HB2 LYS 18 1HB LYS 18 -1.510 -11.756 -0.074 130 HB3 LYS 18 2HB LYS 18 -0.122 -11.706 -1.151 131 HG2 LYS 18 1HG LYS 18 -2.186 -10.862 -2.192 132 HG3 LYS 18 2HG LYS 18 -1.503 -12.249 -3.043 133 HD2 LYS 18 1HD LYS 18 -3.136 -13.722 -2.099 134 HD3 LYS 18 2HD LYS 18 -3.716 -12.466 -1.006 135 HE2 LYS 18 1HE LYS 18 -3.840 -12.177 -3.996 136 HE3 LYS 18 2HE LYS 18 -5.123 -12.958 -3.073 137 HZ1 LYS 18 3HZ LYS 18 -4.164 -10.173 -2.616 138 HZ2 LYS 18 1HZ LYS 18 -5.457 -10.937 -1.840 139 HZ3 LYS 18 2HZ LYS 18 -5.555 -10.588 -3.491 140 H LYS 19 H LYS 19 1.569 -14.166 -0.024 141 HA LYS 19 HA LYS 19 2.829 -14.436 -2.534 142 HB2 LYS 19 1HB LYS 19 4.060 -13.907 -0.488 143 HB3 LYS 19 2HB LYS 19 3.634 -15.469 0.193 144 HG2 LYS 19 1HG LYS 19 4.938 -16.580 -1.549 145 HG3 LYS 19 2HG LYS 19 5.375 -15.005 -2.219 146 HD2 LYS 19 1HD LYS 19 6.491 -14.418 -0.136 147 HD3 LYS 19 2HD LYS 19 6.023 -15.969 0.565 148 HE2 LYS 19 1HE LYS 19 7.831 -15.547 -1.813 149 HE3 LYS 19 2HE LYS 19 8.331 -16.037 -0.194 150 HZ1 LYS 19 3HZ LYS 19 8.237 -17.986 -1.489 151 HZ2 LYS 19 1HZ LYS 19 6.721 -17.590 -2.144 152 HZ3 LYS 19 2HZ LYS 19 6.853 -18.026 -0.511 153 H GLN 20 H GLN 20 0.849 -16.544 -0.723 154 HA GLN 20 HA GLN 20 1.806 -19.006 -1.830 155 HB2 GLN 20 1HB GLN 20 -0.828 -18.335 -0.502 156 HB3 GLN 20 2HB GLN 20 -0.269 -19.959 -0.882 157 HG2 GLN 20 1HG GLN 20 1.566 -19.744 0.651 158 HG3 GLN 20 2HG GLN 20 1.169 -18.053 0.948 159 HE21 GLN 20 2HE2 GLN 20 1.384 -20.311 2.786 160 HE22 GLN 20 1HE2 GLN 20 -0.140 -20.390 3.613 161 H VAL 21 H VAL 21 0.065 -16.426 -3.064 162 HA VAL 21 HA VAL 21 -1.368 -18.057 -5.032 163 HB VAL 21 HB VAL 21 -1.527 -15.077 -4.548 164 HG11 VAL 21 1HG1 VAL 21 -3.248 -16.884 -6.244 165 HG12 VAL 21 2HG1 VAL 21 -2.097 -15.687 -6.840 166 HG13 VAL 21 3HG1 VAL 21 -3.530 -15.167 -5.953 167 HG21 VAL 21 3HG2 VAL 21 -3.397 -17.289 -3.709 168 HG22 VAL 21 1HG2 VAL 21 -3.706 -15.563 -3.523 169 HG23 VAL 21 2HG2 VAL 21 -2.379 -16.321 -2.645 170 H TRP 22 H TRP 22 1.066 -15.525 -4.760 171 HA TRP 22 HA TRP 22 1.487 -15.501 -7.644 172 HB2 TRP 22 1HB TRP 22 2.893 -13.898 -5.494 173 HB3 TRP 22 2HB TRP 22 3.018 -13.645 -7.230 174 HD1 TRP 22 HD1 TRP 22 -0.044 -13.683 -8.013 175 HE1 TRP 22 HE1 TRP 22 -1.564 -11.742 -7.282 176 HE3 TRP 22 HE3 TRP 22 2.738 -11.894 -4.118 177 HZ2 TRP 22 HZ2 TRP 22 -1.578 -9.711 -5.316 178 HZ3 TRP 22 HZ3 TRP 22 1.908 -9.946 -2.869 179 HH2 TRP 22 HH2 TRP 22 -0.209 -8.881 -3.455 180 H SER 23 H SER 23 3.693 -15.677 -8.507 181 HA SER 23 HA SER 23 5.129 -17.900 -7.395 182 HB2 SER 23 1HB SER 23 5.933 -16.063 -9.663 183 HB3 SER 23 2HB SER 23 6.566 -17.676 -9.331 184 HG SER 23 HG SER 23 4.495 -18.515 -9.756 185 H VAL 24 H VAL 24 7.390 -17.821 -6.756 186 HA VAL 24 HA VAL 24 7.830 -15.961 -4.747 187 HB VAL 24 HB VAL 24 8.921 -18.155 -4.807 188 HG11 VAL 24 1HG1 VAL 24 10.661 -16.958 -6.956 189 HG12 VAL 24 2HG1 VAL 24 9.513 -18.283 -7.150 190 HG13 VAL 24 3HG1 VAL 24 10.948 -18.499 -6.147 191 HG21 VAL 24 3HG2 VAL 24 10.837 -15.836 -4.606 192 HG22 VAL 24 1HG2 VAL 24 11.121 -17.452 -3.961 193 HG23 VAL 24 2HG2 VAL 24 9.807 -16.463 -3.318 194 H GLY 25 H GLY 25 8.999 -15.905 -8.095 195 HA2 GLY 25 1HA GLY 25 10.832 -13.786 -7.815 196 HA3 GLY 25 2HA GLY 25 10.022 -14.240 -9.307 197 H TYR 26 H TYR 26 7.556 -13.621 -9.200 198 HA TYR 26 HA TYR 26 7.385 -10.837 -9.264 199 HB2 TYR 26 1HB TYR 26 5.870 -12.283 -10.519 200 HB3 TYR 26 2HB TYR 26 5.176 -12.892 -9.021 201 HD1 TYR 26 HD2 TYR 26 5.615 -9.769 -11.002 202 HD2 TYR 26 HD1 TYR 26 3.311 -11.836 -8.082 203 HE1 TYR 26 HE2 TYR 26 3.933 -7.974 -11.065 204 HE2 TYR 26 HE1 TYR 26 1.623 -10.052 -8.143 205 HH TYR 26 HH TYR 26 1.518 -7.697 -10.567 206 H ALA 27 H ALA 27 6.539 -13.135 -6.716 207 HA ALA 27 HA ALA 27 5.201 -11.335 -5.019 208 HB1 ALA 27 3HB ALA 27 5.101 -13.771 -4.751 209 HB2 ALA 27 1HB ALA 27 5.577 -12.968 -3.256 210 HB3 ALA 27 2HB ALA 27 6.791 -13.780 -4.245 211 H THR 28 H THR 28 8.624 -12.222 -5.249 212 HA THR 28 HA THR 28 9.500 -10.759 -3.009 213 HB THR 28 HB THR 28 11.019 -11.503 -5.518 214 HG1 THR 28 HG1 THR 28 10.424 -13.378 -4.556 215 HG21 THR 28 3HG2 THR 28 13.030 -11.268 -4.118 216 HG22 THR 28 1HG2 THR 28 12.031 -10.662 -2.799 217 HG23 THR 28 2HG2 THR 28 12.172 -9.737 -4.295 218 H GLU 29 H GLU 29 9.321 -9.883 -6.458 219 HA GLU 29 HA GLU 29 10.466 -7.317 -6.111 220 HB2 GLU 29 1HB GLU 29 8.772 -8.482 -8.315 221 HB3 GLU 29 2HB GLU 29 9.455 -6.863 -8.384 222 HG2 GLU 29 1HG GLU 29 11.705 -7.816 -8.164 223 HG3 GLU 29 2HG GLU 29 11.004 -9.433 -8.142 224 H LEU 30 H LEU 30 7.113 -8.456 -6.141 225 HA LEU 30 HA LEU 30 5.942 -5.882 -5.925 226 HB2 LEU 30 1HB LEU 30 4.710 -7.914 -6.622 227 HB3 LEU 30 2HB LEU 30 4.859 -8.549 -4.997 228 HG LEU 30 HG LEU 30 3.505 -5.909 -5.383 229 HD11 LEU 30 1HD1 LEU 30 2.212 -8.590 -5.854 230 HD12 LEU 30 2HD1 LEU 30 2.492 -7.347 -7.072 231 HD13 LEU 30 3HD1 LEU 30 1.373 -7.045 -5.742 232 HD21 LEU 30 3HD2 LEU 30 3.068 -8.221 -3.495 233 HD22 LEU 30 1HD2 LEU 30 2.200 -6.685 -3.466 234 HD23 LEU 30 2HD2 LEU 30 3.930 -6.728 -3.122 235 H ALA 31 H ALA 31 6.969 -8.284 -3.547 236 HA ALA 31 HA ALA 31 6.078 -6.971 -1.240 237 HB1 ALA 31 3HB ALA 31 8.494 -8.750 -1.544 238 HB2 ALA 31 1HB ALA 31 6.843 -9.295 -1.248 239 HB3 ALA 31 2HB ALA 31 7.688 -8.338 -0.030 240 H LYS 32 H LYS 32 9.235 -6.799 -2.913 241 HA LYS 32 HA LYS 32 10.224 -4.962 -0.984 242 HB2 LYS 32 1HB LYS 32 11.732 -6.452 -2.282 243 HB3 LYS 32 2HB LYS 32 11.390 -5.479 -3.713 244 HG2 LYS 32 1HG LYS 32 12.403 -3.564 -2.772 245 HG3 LYS 32 2HG LYS 32 12.476 -4.301 -1.174 246 HD2 LYS 32 1HD LYS 32 14.087 -5.952 -2.049 247 HD3 LYS 32 2HD LYS 32 14.054 -5.123 -3.610 248 HE2 LYS 32 1HE LYS 32 15.978 -4.434 -2.245 249 HE3 LYS 32 2HE LYS 32 14.886 -3.090 -2.580 250 HZ1 LYS 32 3HZ LYS 32 15.082 -4.622 -0.040 251 HZ2 LYS 32 1HZ LYS 32 13.912 -3.437 -0.346 252 HZ3 LYS 32 2HZ LYS 32 15.551 -3.015 -0.291 253 H MET 33 H MET 33 8.318 -4.639 -3.819 254 HA MET 33 HA MET 33 8.798 -1.916 -4.369 255 HB2 MET 33 1HB MET 33 7.426 -3.446 -5.806 256 HB3 MET 33 2HB MET 33 6.154 -3.379 -4.593 257 HG2 MET 33 1HG MET 33 5.932 -0.984 -4.936 258 HG3 MET 33 2HG MET 33 7.236 -1.021 -6.121 259 HE1 MET 33 3HE MET 33 4.229 -3.509 -5.513 260 HE2 MET 33 1HE MET 33 3.069 -2.905 -6.699 261 HE3 MET 33 2HE MET 33 3.528 -1.900 -5.326 262 H PHE 34 H PHE 34 6.577 -3.556 -2.148 263 HA PHE 34 HA PHE 34 5.610 -1.176 -0.933 264 HB2 PHE 34 1HB PHE 34 5.565 -4.079 -0.206 265 HB3 PHE 34 2HB PHE 34 5.121 -2.881 1.005 266 HD1 PHE 34 HD2 PHE 34 4.263 -4.196 -2.343 267 HD2 PHE 34 HD1 PHE 34 3.048 -1.814 0.964 268 HE1 PHE 34 HE2 PHE 34 1.987 -4.070 -3.270 269 HE2 PHE 34 HE1 PHE 34 0.774 -1.686 0.049 270 HZ PHE 34 HZ PHE 34 0.245 -2.813 -2.068 271 H ASP 35 H ASP 35 8.285 -3.357 -0.243 272 HA ASP 35 HA ASP 35 9.085 -2.273 2.208 273 HB2 ASP 35 1HB ASP 35 10.034 -4.348 1.476 274 HB3 ASP 35 2HB ASP 35 10.660 -3.601 0.013 275 H ASP 36 H ASP 36 10.521 -1.614 -0.987 276 HA ASP 36 HA ASP 36 12.282 0.333 0.118 277 HB2 ASP 36 1HB ASP 36 12.810 -1.163 -1.815 278 HB3 ASP 36 2HB ASP 36 11.705 -0.208 -2.797 279 H ASP 37 H ASP 37 9.154 0.549 -1.454 280 HA ASP 37 HA ASP 37 9.522 3.461 -1.649 281 HB2 ASP 37 1HB ASP 37 7.670 1.609 -3.137 282 HB3 ASP 37 2HB ASP 37 7.468 3.357 -3.151 283 H ILE 38 H ILE 38 7.221 1.019 -0.482 284 HA ILE 38 HA ILE 38 5.414 3.034 0.486 285 HB ILE 38 HB ILE 38 5.397 0.037 0.544 286 HG12 ILE 38 1HG1 ILE 38 3.091 0.466 -0.421 287 HG13 ILE 38 2HG1 ILE 38 3.516 2.169 -0.468 288 HG21 ILE 38 1HG2 ILE 38 3.340 0.049 1.881 289 HG22 ILE 38 2HG2 ILE 38 3.541 1.780 2.157 290 HG23 ILE 38 3HG2 ILE 38 4.730 0.641 2.794 291 HD11 ILE 38 3HD1 ILE 38 5.465 1.517 -1.926 292 HD12 ILE 38 1HD1 ILE 38 3.859 1.317 -2.632 293 HD13 ILE 38 2HD1 ILE 38 4.732 -0.083 -2.026 294 H LEU 39 H LEU 39 7.822 0.845 1.975 295 HA LEU 39 HA LEU 39 6.841 1.251 4.600 296 HB2 LEU 39 1HB LEU 39 9.507 0.224 3.673 297 HB3 LEU 39 2HB LEU 39 8.990 0.244 5.348 298 HG LEU 39 HG LEU 39 7.814 -1.361 3.086 299 HD11 LEU 39 1HD1 LEU 39 9.806 -2.308 4.097 300 HD12 LEU 39 2HD1 LEU 39 8.386 -3.255 4.537 301 HD13 LEU 39 3HD1 LEU 39 9.095 -2.138 5.703 302 HD21 LEU 39 3HD2 LEU 39 6.172 -2.196 4.692 303 HD22 LEU 39 1HD2 LEU 39 5.994 -0.459 4.438 304 HD23 LEU 39 2HD2 LEU 39 6.775 -1.062 5.901 305 HA PRO 40 HA PRO 40 10.472 4.457 5.127 306 HB2 PRO 40 1HB PRO 40 10.974 5.932 2.877 307 HB3 PRO 40 2HB PRO 40 11.944 4.544 3.380 308 HG2 PRO 40 1HG PRO 40 9.737 4.678 1.364 309 HG3 PRO 40 2HG PRO 40 11.303 3.850 1.255 310 HD2 PRO 40 1HD PRO 40 9.062 2.506 1.826 311 HD3 PRO 40 2HD PRO 40 10.605 2.088 2.596 312 H ILE 41 H ILE 41 7.554 4.630 3.347 313 HA ILE 41 HA ILE 41 7.157 7.454 4.023 314 HB ILE 41 HB ILE 41 5.344 5.672 2.384 315 HG12 ILE 41 1HG1 ILE 41 7.566 5.959 1.320 316 HG13 ILE 41 2HG1 ILE 41 6.282 6.738 0.405 317 HG21 ILE 41 1HG2 ILE 41 4.350 7.787 1.634 318 HG22 ILE 41 2HG2 ILE 41 5.429 8.671 2.717 319 HG23 ILE 41 3HG2 ILE 41 4.211 7.583 3.381 320 HD11 ILE 41 3HD1 ILE 41 6.942 8.899 1.295 321 HD12 ILE 41 1HD1 ILE 41 8.297 8.102 0.495 322 HD13 ILE 41 2HD1 ILE 41 8.204 8.126 2.256 323 H ILE 42 H ILE 42 5.115 4.503 4.084 324 HA ILE 42 HA ILE 42 3.930 5.550 6.582 325 HB ILE 42 HB ILE 42 1.800 4.540 5.944 326 HG12 ILE 42 1HG1 ILE 42 2.883 4.085 3.179 327 HG13 ILE 42 2HG1 ILE 42 3.006 2.830 4.408 328 HG21 ILE 42 1HG2 ILE 42 1.201 6.100 4.149 329 HG22 ILE 42 2HG2 ILE 42 2.913 6.407 3.859 330 HG23 ILE 42 3HG2 ILE 42 2.182 6.868 5.397 331 HD11 ILE 42 3HD1 ILE 42 0.472 4.099 3.410 332 HD12 ILE 42 1HD1 ILE 42 0.580 2.877 4.678 333 HD13 ILE 42 2HD1 ILE 42 1.062 2.481 3.026 334 H GLY 43 H GLY 43 6.007 3.329 5.759 335 HA2 GLY 43 1HA GLY 43 4.868 0.828 6.350 336 HA3 GLY 43 2HA GLY 43 6.577 1.221 6.466 337 H GLY 44 H GLY 44 6.258 3.295 8.432 338 HA2 GLY 44 1HA GLY 44 5.915 1.538 10.758 339 HA3 GLY 44 2HA GLY 44 6.812 3.050 10.728 340 H LEU 45 H LEU 45 3.714 3.068 9.196 341 HA LEU 45 HA LEU 45 2.640 4.535 11.513 342 HB2 LEU 45 1HB LEU 45 1.774 4.586 8.619 343 HB3 LEU 45 2HB LEU 45 1.064 5.536 9.910 344 HG LEU 45 HG LEU 45 3.922 5.789 8.964 345 HD11 LEU 45 1HD1 LEU 45 2.369 6.529 7.250 346 HD12 LEU 45 2HD1 LEU 45 3.181 7.912 7.985 347 HD13 LEU 45 3HD1 LEU 45 1.518 7.527 8.427 348 HD21 LEU 45 3HD2 LEU 45 3.585 6.382 11.320 349 HD22 LEU 45 1HD2 LEU 45 2.300 7.494 10.852 350 HD23 LEU 45 2HD2 LEU 45 3.960 7.797 10.336 351 H GLU 46 H GLU 46 0.361 4.218 12.023 352 HA GLU 46 HA GLU 46 -0.392 1.440 11.837 353 HB2 GLU 46 1HB GLU 46 -1.786 3.807 13.097 354 HB3 GLU 46 2HB GLU 46 -2.348 2.142 13.208 355 HG2 GLU 46 1HG GLU 46 -0.334 1.510 14.386 356 HG3 GLU 46 2HG GLU 46 0.306 3.144 14.211 357 H ILE 47 H ILE 47 -2.089 0.591 10.729 358 HA ILE 47 HA ILE 47 -2.654 1.759 8.232 359 HB ILE 47 HB ILE 47 -2.602 -0.708 8.846 360 HG12 ILE 47 1HG1 ILE 47 -5.033 0.171 7.283 361 HG13 ILE 47 2HG1 ILE 47 -3.388 0.234 6.657 362 HG21 ILE 47 1HG2 ILE 47 -4.099 -0.624 10.762 363 HG22 ILE 47 2HG2 ILE 47 -4.710 -1.736 9.537 364 HG23 ILE 47 3HG2 ILE 47 -5.431 -0.136 9.715 365 HD11 ILE 47 3HD1 ILE 47 -4.538 -1.738 5.861 366 HD12 ILE 47 1HD1 ILE 47 -4.868 -2.239 7.519 367 HD13 ILE 47 2HD1 ILE 47 -3.207 -2.194 6.927 368 H GLN 48 H GLN 48 -4.211 2.040 11.282 369 HA GLN 48 HA GLN 48 -6.707 3.055 10.186 370 HB2 GLN 48 1HB GLN 48 -5.672 2.749 13.004 371 HB3 GLN 48 2HB GLN 48 -7.221 3.482 12.623 372 HG2 GLN 48 1HG GLN 48 -8.041 1.427 11.719 373 HG3 GLN 48 2HG GLN 48 -6.450 0.676 11.874 374 HE21 GLN 48 2HE2 GLN 48 -9.105 0.023 13.050 375 HE22 GLN 48 1HE2 GLN 48 -8.821 -0.074 14.754 376 H ASP 49 H ASP 49 -3.640 4.264 10.797 377 HA ASP 49 HA ASP 49 -4.653 6.979 11.291 378 HB2 ASP 49 1HB ASP 49 -3.855 5.883 13.403 379 HB3 ASP 49 2HB ASP 49 -2.256 5.760 12.679 380 H ILE 50 H ILE 50 -4.062 6.246 8.799 381 HA ILE 50 HA ILE 50 -1.390 7.367 8.291 382 HB ILE 50 HB ILE 50 -3.167 5.742 6.461 383 HG12 ILE 50 1HG1 ILE 50 -0.484 5.105 7.705 384 HG13 ILE 50 2HG1 ILE 50 -2.032 4.461 8.242 385 HG21 ILE 50 1HG2 ILE 50 -1.281 5.810 4.879 386 HG22 ILE 50 2HG2 ILE 50 -0.446 6.937 5.946 387 HG23 ILE 50 3HG2 ILE 50 -1.960 7.410 5.177 388 HD11 ILE 50 3HD1 ILE 50 -0.827 2.853 6.895 389 HD12 ILE 50 1HD1 ILE 50 -0.760 4.003 5.559 390 HD13 ILE 50 2HD1 ILE 50 -2.314 3.356 6.088 391 H GLU 51 H GLU 51 -1.236 9.329 7.407 392 HA GLU 51 HA GLU 51 -3.611 10.868 6.978 393 HB2 GLU 51 1HB GLU 51 -0.719 11.541 6.408 394 HB3 GLU 51 2HB GLU 51 -2.056 12.677 6.312 395 HG2 GLU 51 1HG GLU 51 -2.493 12.220 8.736 396 HG3 GLU 51 2HG GLU 51 -0.978 11.313 8.762 397 HA PRO 52 HA PRO 52 -4.341 10.086 2.672 398 HB2 PRO 52 1HB PRO 52 -4.905 13.006 2.557 399 HB3 PRO 52 2HB PRO 52 -5.910 11.646 2.043 400 HG2 PRO 52 1HG PRO 52 -6.468 12.983 4.278 401 HG3 PRO 52 2HG PRO 52 -6.668 11.224 4.191 402 HD2 PRO 52 1HD PRO 52 -4.511 12.826 5.491 403 HD3 PRO 52 2HD PRO 52 -5.268 11.309 6.021 404 H MET 53 H MET 53 -2.478 12.889 3.717 405 HA MET 53 HA MET 53 -1.227 13.439 1.243 406 HB2 MET 53 1HB MET 53 -0.325 14.035 4.064 407 HB3 MET 53 2HB MET 53 0.448 14.671 2.621 408 HG2 MET 53 1HG MET 53 -1.661 15.785 2.015 409 HG3 MET 53 2HG MET 53 -2.373 15.198 3.518 410 HE1 MET 53 3HE MET 53 -1.922 19.020 4.223 411 HE2 MET 53 1HE MET 53 -3.055 17.670 4.179 412 HE3 MET 53 2HE MET 53 -2.347 18.277 2.680 413 H GLN 54 H GLN 54 -0.509 11.205 3.834 414 HA GLN 54 HA GLN 54 2.163 10.659 2.914 415 HB2 GLN 54 1HB GLN 54 0.412 9.509 5.065 416 HB3 GLN 54 2HB GLN 54 1.951 8.764 4.641 417 HG2 GLN 54 1HG GLN 54 3.168 10.644 5.285 418 HG3 GLN 54 2HG GLN 54 1.735 11.667 5.335 419 HE21 GLN 54 2HE2 GLN 54 3.738 11.213 7.371 420 HE22 GLN 54 1HE2 GLN 54 2.892 10.598 8.760 421 H LEU 55 H LEU 55 -0.946 8.943 2.871 422 HA LEU 55 HA LEU 55 0.003 6.689 1.462 423 HB2 LEU 55 1HB LEU 55 -2.193 6.845 2.650 424 HB3 LEU 55 2HB LEU 55 -2.767 7.893 1.369 425 HG LEU 55 HG LEU 55 -2.534 6.072 -0.252 426 HD11 LEU 55 1HD1 LEU 55 -0.652 4.908 0.782 427 HD12 LEU 55 2HD1 LEU 55 -2.002 3.810 0.496 428 HD13 LEU 55 3HD1 LEU 55 -1.689 4.416 2.122 429 HD21 LEU 55 3HD2 LEU 55 -4.076 5.274 2.216 430 HD22 LEU 55 1HD2 LEU 55 -4.326 4.637 0.591 431 HD23 LEU 55 2HD2 LEU 55 -4.654 6.337 0.931 432 H LEU 56 H LEU 56 -1.203 9.824 0.471 433 HA LEU 56 HA LEU 56 -1.120 9.328 -2.327 434 HB2 LEU 56 1HB LEU 56 -2.455 11.106 -1.150 435 HB3 LEU 56 2HB LEU 56 -0.961 11.972 -0.876 436 HG LEU 56 HG LEU 56 -2.538 12.640 -2.842 437 HD11 LEU 56 1HD1 LEU 56 -0.400 13.683 -2.371 438 HD12 LEU 56 2HD1 LEU 56 -0.626 13.455 -4.105 439 HD13 LEU 56 3HD1 LEU 56 0.436 12.372 -3.206 440 HD21 LEU 56 3HD2 LEU 56 -1.957 11.571 -4.957 441 HD22 LEU 56 1HD2 LEU 56 -2.701 10.429 -3.837 442 HD23 LEU 56 2HD2 LEU 56 -0.956 10.403 -4.092 443 H GLU 57 H GLU 57 1.233 10.334 0.065 444 HA GLU 57 HA GLU 57 3.190 11.241 -1.793 445 HB2 GLU 57 1HB GLU 57 3.173 11.791 0.675 446 HB3 GLU 57 2HB GLU 57 3.737 10.147 0.967 447 HG2 GLU 57 1HG GLU 57 5.719 10.575 -0.377 448 HG3 GLU 57 2HG GLU 57 5.158 12.214 -0.699 449 H VAL 58 H VAL 58 2.400 8.139 -0.344 450 HA VAL 58 HA VAL 58 4.524 6.616 -1.333 451 HB VAL 58 HB VAL 58 1.623 5.887 -0.913 452 HG11 VAL 58 1HG1 VAL 58 3.940 4.032 -1.430 453 HG12 VAL 58 2HG1 VAL 58 2.622 4.371 -2.551 454 HG13 VAL 58 3HG1 VAL 58 2.292 3.552 -1.024 455 HG21 VAL 58 3HG2 VAL 58 2.428 4.823 1.124 456 HG22 VAL 58 1HG2 VAL 58 2.859 6.537 1.106 457 HG23 VAL 58 2HG2 VAL 58 4.079 5.311 0.741 458 H ILE 59 H ILE 59 1.375 7.312 -2.795 459 HA ILE 59 HA ILE 59 1.856 6.083 -5.270 460 HB ILE 59 HB ILE 59 -0.092 8.044 -4.227 461 HG12 ILE 59 1HG1 ILE 59 -1.686 6.428 -5.277 462 HG13 ILE 59 2HG1 ILE 59 -0.297 5.481 -5.798 463 HG21 ILE 59 1HG2 ILE 59 0.212 7.624 -7.189 464 HG22 ILE 59 2HG2 ILE 59 0.555 9.120 -6.323 465 HG23 ILE 59 3HG2 ILE 59 -1.093 8.498 -6.390 466 HD11 ILE 59 3HD1 ILE 59 -1.053 6.085 -2.949 467 HD12 ILE 59 1HD1 ILE 59 0.340 5.136 -3.470 468 HD13 ILE 59 2HD1 ILE 59 -1.294 4.554 -3.794 469 H ARG 60 H ARG 60 2.473 9.396 -4.162 470 HA ARG 60 HA ARG 60 3.478 10.287 -6.690 471 HB2 ARG 60 1HB ARG 60 3.034 11.427 -4.054 472 HB3 ARG 60 2HB ARG 60 4.545 11.980 -4.759 473 HG2 ARG 60 1HG ARG 60 2.539 13.420 -5.212 474 HG3 ARG 60 2HG ARG 60 3.442 12.905 -6.637 475 HD2 ARG 60 1HD ARG 60 1.659 11.862 -7.480 476 HD3 ARG 60 2HD ARG 60 1.375 11.002 -5.968 477 HE ARG 60 HE ARG 60 0.181 13.053 -5.229 478 HH11 ARG 60 1HH1 ARG 60 0.604 12.513 -8.661 479 HH12 ARG 60 2HH1 ARG 60 -0.904 13.272 -9.079 480 HH21 ARG 60 1HH2 ARG 60 -1.797 14.045 -5.775 481 HH22 ARG 60 2HH2 ARG 60 -2.275 14.143 -7.440 482 H ARG 61 H ARG 61 4.800 8.510 -4.084 483 HA ARG 61 HA ARG 61 7.552 8.985 -4.480 484 HB2 ARG 61 1HB ARG 61 6.930 7.843 -2.506 485 HB3 ARG 61 2HB ARG 61 5.956 6.677 -3.385 486 HG2 ARG 61 1HG ARG 61 7.870 5.542 -2.625 487 HG3 ARG 61 2HG ARG 61 8.083 5.783 -4.358 488 HD2 ARG 61 1HD ARG 61 9.559 7.661 -3.939 489 HD3 ARG 61 2HD ARG 61 9.301 7.498 -2.199 490 HE ARG 61 HE ARG 61 10.247 5.067 -3.368 491 HH11 ARG 61 1HH1 ARG 61 11.305 8.234 -2.324 492 HH12 ARG 61 2HH1 ARG 61 12.906 7.709 -1.906 493 HH21 ARG 61 1HH2 ARG 61 12.335 4.365 -2.833 494 HH22 ARG 61 2HH2 ARG 61 13.497 5.494 -2.211 495 H PHE 62 H PHE 62 5.276 6.677 -5.899 496 HA PHE 62 HA PHE 62 7.166 5.592 -7.751 497 HB2 PHE 62 1HB PHE 62 4.143 5.627 -7.779 498 HB3 PHE 62 2HB PHE 62 5.127 4.743 -8.941 499 HD1 PHE 62 HD1 PHE 62 6.388 2.786 -8.267 500 HD2 PHE 62 HD2 PHE 62 3.918 4.873 -5.509 501 HE1 PHE 62 HE1 PHE 62 6.501 0.873 -6.728 502 HE2 PHE 62 HE2 PHE 62 4.023 2.966 -3.964 503 HZ PHE 62 HZ PHE 62 5.316 0.962 -4.572 504 H GLU 63 H GLU 63 5.034 8.342 -7.748 505 HA GLU 63 HA GLU 63 5.081 8.928 -10.504 506 HB2 GLU 63 1HB GLU 63 3.455 9.875 -8.899 507 HB3 GLU 63 2HB GLU 63 4.745 10.827 -8.179 508 HG2 GLU 63 1HG GLU 63 5.055 12.006 -10.293 509 HG3 GLU 63 2HG GLU 63 3.753 11.055 -11.012 510 H ASP 64 H ASP 64 7.294 9.686 -7.880 511 HA ASP 64 HA ASP 64 8.893 11.610 -9.087 512 HB2 ASP 64 1HB ASP 64 9.604 9.392 -7.172 513 HB3 ASP 64 2HB ASP 64 10.800 10.549 -7.741 514 H ARG 65 H ARG 65 8.658 8.206 -9.755 515 HA ARG 65 HA ARG 65 10.978 8.386 -11.550 516 HB2 ARG 65 1HB ARG 65 9.541 5.944 -10.496 517 HB3 ARG 65 2HB ARG 65 10.936 5.920 -11.566 518 HG2 ARG 65 1HG ARG 65 12.229 7.105 -9.806 519 HG3 ARG 65 2HG ARG 65 10.840 6.927 -8.733 520 HD2 ARG 65 1HD ARG 65 12.415 4.698 -10.012 521 HD3 ARG 65 2HD ARG 65 12.481 5.181 -8.320 522 HE ARG 65 HE ARG 65 10.223 3.854 -9.652 523 HH11 ARG 65 1HH1 ARG 65 11.848 4.897 -6.724 524 HH12 ARG 65 2HH1 ARG 65 10.852 3.922 -5.672 525 HH21 ARG 65 1HH2 ARG 65 8.935 2.554 -8.260 526 HH22 ARG 65 2HH2 ARG 65 9.225 2.580 -6.545 527 H GLY 66 H GLY 66 7.904 9.069 -11.785 528 HA2 GLY 66 1HA GLY 66 6.506 9.292 -13.597 529 HA3 GLY 66 2HA GLY 66 7.784 8.611 -14.592 530 H ALA 67 H ALA 67 6.576 6.861 -11.841 531 HA ALA 67 HA ALA 67 5.669 4.765 -13.653 532 HB1 ALA 67 3HB ALA 67 5.626 3.338 -11.676 533 HB2 ALA 67 1HB ALA 67 5.991 4.728 -10.654 534 HB3 ALA 67 2HB ALA 67 7.179 4.160 -11.828 535 H MET 68 H MET 68 3.680 5.249 -14.401 536 HA MET 68 HA MET 68 1.681 6.462 -12.716 537 HB2 MET 68 1HB MET 68 1.579 5.442 -15.555 538 HB3 MET 68 2HB MET 68 0.231 6.231 -14.749 539 HG2 MET 68 1HG MET 68 2.906 7.551 -15.064 540 HG3 MET 68 2HG MET 68 1.656 7.640 -16.301 541 HE1 MET 68 3HE MET 68 1.716 7.906 -12.305 542 HE2 MET 68 1HE MET 68 1.540 9.654 -12.150 543 HE3 MET 68 2HE MET 68 2.973 8.977 -12.923 544 H GLU 69 H GLU 69 1.861 3.369 -14.500 545 HA GLU 69 HA GLU 69 -0.468 2.297 -13.341 546 HB2 GLU 69 1HB GLU 69 1.918 0.876 -14.530 547 HB3 GLU 69 2HB GLU 69 0.432 0.070 -14.052 548 HG2 GLU 69 1HG GLU 69 0.096 0.344 -16.293 549 HG3 GLU 69 2HG GLU 69 -0.684 1.791 -15.655 550 H ARG 70 H ARG 70 2.888 2.277 -12.330 551 HA ARG 70 HA ARG 70 2.564 0.340 -10.277 552 HB2 ARG 70 1HB ARG 70 4.711 1.599 -11.449 553 HB3 ARG 70 2HB ARG 70 4.680 2.310 -9.839 554 HG2 ARG 70 1HG ARG 70 4.794 0.124 -8.827 555 HG3 ARG 70 2HG ARG 70 4.715 -0.643 -10.416 556 HD2 ARG 70 1HD ARG 70 6.812 0.574 -11.013 557 HD3 ARG 70 2HD ARG 70 6.908 1.111 -9.336 558 HE ARG 70 HE ARG 70 7.298 -1.133 -8.670 559 HH11 ARG 70 1HH1 ARG 70 7.213 -0.658 -12.139 560 HH12 ARG 70 2HH1 ARG 70 8.026 -2.158 -12.491 561 HH21 ARG 70 1HH2 ARG 70 8.379 -3.102 -9.123 562 HH22 ARG 70 2HH2 ARG 70 8.700 -3.532 -10.777 563 H ALA 71 H ALA 71 2.127 3.803 -10.453 564 HA ALA 71 HA ALA 71 1.936 4.306 -7.675 565 HB1 ALA 71 3HB ALA 71 0.820 6.383 -8.340 566 HB2 ALA 71 1HB ALA 71 0.675 5.778 -9.989 567 HB3 ALA 71 2HB ALA 71 2.268 6.095 -9.299 568 H ASN 72 H ASN 72 -0.471 3.592 -10.175 569 HA ASN 72 HA ASN 72 -2.644 3.510 -8.306 570 HB2 ASN 72 1HB ASN 72 -2.396 2.684 -11.196 571 HB3 ASN 72 2HB ASN 72 -3.880 2.463 -10.273 572 HD21 ASN 72 2HD2 ASN 72 -1.753 4.742 -11.785 573 HD22 ASN 72 1HD2 ASN 72 -2.796 6.112 -11.642 574 H LYS 73 H LYS 73 -0.266 1.317 -9.418 575 HA LYS 73 HA LYS 73 -1.473 -1.133 -8.705 576 HB2 LYS 73 1HB LYS 73 0.760 -0.591 -9.978 577 HB3 LYS 73 2HB LYS 73 1.466 -0.601 -8.371 578 HG2 LYS 73 1HG LYS 73 0.621 -2.909 -8.066 579 HG3 LYS 73 2HG LYS 73 0.053 -2.880 -9.738 580 HD2 LYS 73 1HD LYS 73 2.497 -2.203 -10.292 581 HD3 LYS 73 2HD LYS 73 2.860 -2.850 -8.693 582 HE2 LYS 73 1HE LYS 73 3.221 -4.586 -10.295 583 HE3 LYS 73 2HE LYS 73 1.764 -4.980 -9.382 584 HZ1 LYS 73 3HZ LYS 73 1.501 -5.343 -11.779 585 HZ2 LYS 73 1HZ LYS 73 1.796 -3.697 -12.065 586 HZ3 LYS 73 2HZ LYS 73 0.419 -4.175 -11.198 587 H ALA 74 H ALA 74 0.807 0.974 -6.956 588 HA ALA 74 HA ALA 74 0.657 -0.264 -4.453 589 HB1 ALA 74 3HB ALA 74 1.016 2.699 -4.953 590 HB2 ALA 74 1HB ALA 74 2.302 1.497 -5.114 591 HB3 ALA 74 2HB ALA 74 1.551 1.776 -3.544 592 H ARG 75 H ARG 75 -1.183 2.431 -5.797 593 HA ARG 75 HA ARG 75 -2.879 3.085 -3.762 594 HB2 ARG 75 1HB ARG 75 -2.806 4.244 -5.898 595 HB3 ARG 75 2HB ARG 75 -3.486 2.845 -6.710 596 HG2 ARG 75 1HG ARG 75 -5.568 3.146 -5.429 597 HG3 ARG 75 2HG ARG 75 -4.877 4.603 -4.704 598 HD2 ARG 75 1HD ARG 75 -4.603 5.566 -6.946 599 HD3 ARG 75 2HD ARG 75 -5.329 4.126 -7.647 600 HE ARG 75 HE ARG 75 -7.052 5.317 -5.730 601 HH11 ARG 75 1HH1 ARG 75 -5.873 5.630 -9.014 602 HH12 ARG 75 2HH1 ARG 75 -7.279 6.481 -9.579 603 HH21 ARG 75 1HH2 ARG 75 -8.923 6.436 -6.479 604 HH22 ARG 75 2HH2 ARG 75 -9.001 6.961 -8.135 605 H ARG 76 H ARG 76 -3.379 0.457 -6.123 606 HA ARG 76 HA ARG 76 -5.915 -0.226 -4.925 607 HB2 ARG 76 1HB ARG 76 -5.333 -0.352 -7.403 608 HB3 ARG 76 2HB ARG 76 -4.435 -1.811 -7.013 609 HG2 ARG 76 1HG ARG 76 -6.454 -2.880 -6.213 610 HG3 ARG 76 2HG ARG 76 -7.374 -1.401 -6.495 611 HD2 ARG 76 1HD ARG 76 -7.765 -2.898 -8.326 612 HD3 ARG 76 2HD ARG 76 -6.776 -1.557 -8.902 613 HE ARG 76 HE ARG 76 -5.621 -4.175 -8.180 614 HH11 ARG 76 1HH1 ARG 76 -5.875 -1.434 -10.354 615 HH12 ARG 76 2HH1 ARG 76 -4.746 -2.096 -11.498 616 HH21 ARG 76 1HH2 ARG 76 -4.156 -5.025 -9.675 617 HH22 ARG 76 2HH2 ARG 76 -3.772 -4.129 -11.116 618 H ARG 77 H ARG 77 -2.619 -1.426 -4.809 619 HA ARG 77 HA ARG 77 -3.342 -3.884 -3.515 620 HB2 ARG 77 1HB ARG 77 -0.696 -2.501 -3.921 621 HB3 ARG 77 2HB ARG 77 -0.856 -3.994 -3.005 622 HG2 ARG 77 1HG ARG 77 -1.645 -3.639 -5.887 623 HG3 ARG 77 2HG ARG 77 -0.156 -4.393 -5.313 624 HD2 ARG 77 1HD ARG 77 -1.502 -6.082 -4.128 625 HD3 ARG 77 2HD ARG 77 -2.968 -5.346 -4.776 626 HE ARG 77 HE ARG 77 -1.068 -6.104 -6.800 627 HH11 ARG 77 1HH1 ARG 77 -3.708 -7.267 -4.793 628 HH12 ARG 77 2HH1 ARG 77 -4.159 -8.517 -5.914 629 HH21 ARG 77 1HH2 ARG 77 -1.659 -7.766 -8.242 630 HH22 ARG 77 2HH2 ARG 77 -3.001 -8.796 -7.861 631 H CYS 78 H CYS 78 -2.177 -0.708 -2.417 632 HA CYS 78 HA CYS 78 -2.058 -1.372 0.323 633 HB2 CYS 78 1HB CYS 78 -2.617 1.278 -1.023 634 HB3 CYS 78 2HB CYS 78 -2.345 1.088 0.704 635 HG CYS 78 HG CYS 78 0.002 2.098 -0.261 636 H GLY 79 H GLY 79 -4.682 -0.072 -1.704 637 HA2 GLY 79 1HA GLY 79 -6.708 0.074 0.190 638 HA3 GLY 79 2HA GLY 79 -6.955 -0.312 -1.507 639 H GLU 80 H GLU 80 -5.443 -2.731 -1.524 640 HA GLU 80 HA GLU 80 -7.365 -4.588 -0.607 641 HB2 GLU 80 1HB GLU 80 -5.822 -5.002 -2.507 642 HB3 GLU 80 2HB GLU 80 -4.484 -5.099 -1.371 643 HG2 GLU 80 1HG GLU 80 -5.519 -7.036 -0.308 644 HG3 GLU 80 2HG GLU 80 -6.867 -6.935 -1.441 645 H VAL 81 H VAL 81 -4.218 -3.561 0.658 646 HA VAL 81 HA VAL 81 -4.143 -5.291 2.874 647 HB VAL 81 HB VAL 81 -2.937 -2.524 2.654 648 HG11 VAL 81 1HG1 VAL 81 -2.237 -4.824 4.479 649 HG12 VAL 81 2HG1 VAL 81 -3.022 -3.320 4.960 650 HG13 VAL 81 3HG1 VAL 81 -1.362 -3.296 4.364 651 HG21 VAL 81 3HG2 VAL 81 -1.778 -5.228 1.984 652 HG22 VAL 81 1HG2 VAL 81 -0.885 -3.707 1.992 653 HG23 VAL 81 2HG2 VAL 81 -2.196 -3.954 0.838 654 H PHE 82 H PHE 82 -5.432 -1.996 2.519 655 HA PHE 82 HA PHE 82 -6.361 -1.652 5.138 656 HB2 PHE 82 1HB PHE 82 -7.415 -0.608 2.508 657 HB3 PHE 82 2HB PHE 82 -8.109 -0.143 4.054 658 HD1 PHE 82 HD2 PHE 82 -6.340 0.765 5.806 659 HD2 PHE 82 HD1 PHE 82 -5.800 0.734 1.591 660 HE1 PHE 82 HE2 PHE 82 -4.669 2.561 6.008 661 HE2 PHE 82 HE1 PHE 82 -4.134 2.530 1.783 662 HZ PHE 82 HZ PHE 82 -3.564 3.447 3.996 663 H ARG 83 H ARG 83 -7.957 -3.056 2.307 664 HA ARG 83 HA ARG 83 -10.411 -3.673 3.545 665 HB2 ARG 83 1HB ARG 83 -9.998 -3.601 1.092 666 HB3 ARG 83 2HB ARG 83 -9.065 -5.082 1.233 667 HG2 ARG 83 1HG ARG 83 -11.060 -6.270 1.998 668 HG3 ARG 83 2HG ARG 83 -11.997 -4.778 1.851 669 HD2 ARG 83 1HD ARG 83 -11.424 -4.700 -0.552 670 HD3 ARG 83 2HD ARG 83 -10.581 -6.238 -0.377 671 HE ARG 83 HE ARG 83 -13.308 -6.363 0.507 672 HH11 ARG 83 1HH1 ARG 83 -11.221 -6.517 -2.310 673 HH12 ARG 83 2HH1 ARG 83 -12.354 -7.446 -3.247 674 HH21 ARG 83 1HH2 ARG 83 -14.804 -7.548 -0.750 675 HH22 ARG 83 2HH2 ARG 83 -14.378 -8.011 -2.372 676 H TYR 84 H TYR 84 -7.414 -5.485 3.157 677 HA TYR 84 HA TYR 84 -8.184 -7.936 4.245 678 HB2 TYR 84 1HB TYR 84 -6.030 -7.531 3.102 679 HB3 TYR 84 2HB TYR 84 -5.505 -6.525 4.444 680 HD1 TYR 84 HD2 TYR 84 -6.151 -9.955 3.325 681 HD2 TYR 84 HD1 TYR 84 -4.745 -7.522 6.520 682 HE1 TYR 84 HE2 TYR 84 -5.157 -11.934 4.389 683 HE2 TYR 84 HE1 TYR 84 -3.736 -9.491 7.584 684 HH TYR 84 HH TYR 84 -3.749 -11.784 7.603 685 H ALA 85 H ALA 85 -6.995 -4.989 5.798 686 HA ALA 85 HA ALA 85 -6.938 -6.008 8.433 687 HB1 ALA 85 3HB ALA 85 -5.730 -3.992 7.762 688 HB2 ALA 85 1HB ALA 85 -6.795 -3.680 9.133 689 HB3 ALA 85 2HB ALA 85 -7.261 -3.154 7.517 690 H ILE 86 H ILE 86 -9.463 -4.501 6.505 691 HA ILE 86 HA ILE 86 -11.359 -4.152 8.567 692 HB ILE 86 HB ILE 86 -11.856 -4.673 5.626 693 HG12 ILE 86 1HG1 ILE 86 -11.724 -2.046 7.120 694 HG13 ILE 86 2HG1 ILE 86 -10.415 -2.694 6.138 695 HG21 ILE 86 1HG2 ILE 86 -13.848 -5.067 6.977 696 HG22 ILE 86 2HG2 ILE 86 -14.029 -3.605 6.008 697 HG23 ILE 86 3HG2 ILE 86 -13.664 -3.484 7.729 698 HD11 ILE 86 3HD1 ILE 86 -13.160 -1.988 5.128 699 HD12 ILE 86 1HD1 ILE 86 -11.801 -2.560 4.159 700 HD13 ILE 86 2HD1 ILE 86 -11.715 -0.989 4.962 701 H VAL 87 H VAL 87 -10.660 -6.851 6.397 702 HA VAL 87 HA VAL 87 -12.802 -8.491 7.345 703 HB VAL 87 HB VAL 87 -10.306 -9.325 5.853 704 HG11 VAL 87 1HG1 VAL 87 -12.970 -10.710 6.141 705 HG12 VAL 87 2HG1 VAL 87 -11.458 -11.205 6.899 706 HG13 VAL 87 3HG1 VAL 87 -11.623 -11.257 5.144 707 HG21 VAL 87 3HG2 VAL 87 -13.013 -8.521 4.799 708 HG22 VAL 87 1HG2 VAL 87 -11.689 -9.172 3.834 709 HG23 VAL 87 2HG2 VAL 87 -11.514 -7.609 4.632 710 H THR 88 H THR 88 -9.449 -8.029 8.250 711 HA THR 88 HA THR 88 -9.472 -10.359 9.979 712 HB THR 88 HB THR 88 -7.135 -9.544 10.589 713 HG1 THR 88 HG1 THR 88 -7.421 -7.913 8.285 714 HG21 THR 88 3HG2 THR 88 -6.168 -10.306 8.463 715 HG22 THR 88 1HG2 THR 88 -7.748 -10.149 7.698 716 HG23 THR 88 2HG2 THR 88 -7.503 -11.334 8.980 717 H GLY 89 H GLY 89 -10.784 -7.413 10.262 718 HA2 GLY 89 1HA GLY 89 -11.650 -6.283 12.066 719 HA3 GLY 89 2HA GLY 89 -11.159 -7.644 13.062 720 H ARG 90 H ARG 90 -9.054 -5.627 11.106 721 HA ARG 90 HA ARG 90 -7.772 -4.669 13.583 722 HB2 ARG 90 1HB ARG 90 -6.625 -5.142 10.829 723 HB3 ARG 90 2HB ARG 90 -5.758 -4.309 12.110 724 HG2 ARG 90 1HG ARG 90 -5.786 -6.290 13.482 725 HG3 ARG 90 2HG ARG 90 -6.779 -7.134 12.289 726 HD2 ARG 90 1HD ARG 90 -5.007 -7.041 10.669 727 HD3 ARG 90 2HD ARG 90 -4.034 -6.029 11.734 728 HE ARG 90 HE ARG 90 -4.083 -8.056 13.277 729 HH11 ARG 90 1HH1 ARG 90 -4.267 -8.321 9.792 730 HH12 ARG 90 2HH1 ARG 90 -3.474 -9.869 9.735 731 HH21 ARG 90 1HH2 ARG 90 -3.016 -10.073 13.202 732 HH22 ARG 90 2HH2 ARG 90 -2.731 -10.851 11.668 733 H ALA 91 H ALA 91 -9.540 -3.781 10.846 734 HA ALA 91 HA ALA 91 -9.393 -0.978 11.532 735 HB1 ALA 91 3HB ALA 91 -8.770 -0.225 9.299 736 HB2 ALA 91 1HB ALA 91 -8.553 -1.897 8.782 737 HB3 ALA 91 2HB ALA 91 -7.488 -1.206 10.007 738 H LYS 92 H LYS 92 -10.925 0.276 10.103 739 HA LYS 92 HA LYS 92 -13.020 -1.397 8.911 740 HB2 LYS 92 1HB LYS 92 -13.888 -0.881 11.088 741 HB3 LYS 92 2HB LYS 92 -13.422 0.808 10.935 742 HG2 LYS 92 1HG LYS 92 -15.046 1.036 9.078 743 HG3 LYS 92 2HG LYS 92 -15.571 -0.620 9.388 744 HD2 LYS 92 1HD LYS 92 -16.324 -0.042 11.581 745 HD3 LYS 92 2HD LYS 92 -15.601 1.563 11.461 746 HE2 LYS 92 1HE LYS 92 -17.145 2.125 9.654 747 HE3 LYS 92 2HE LYS 92 -17.864 0.518 9.769 748 HZ1 LYS 92 3HZ LYS 92 -17.822 2.516 11.966 749 HZ2 LYS 92 1HZ LYS 92 -18.594 1.006 11.988 750 HZ3 LYS 92 2HZ LYS 92 -19.148 2.224 10.950 751 H TYR 93 H TYR 93 -12.364 2.059 9.529 752 HA TYR 93 HA TYR 93 -13.120 2.653 6.784 753 HB2 TYR 93 1HB TYR 93 -14.001 4.128 8.513 754 HB3 TYR 93 2HB TYR 93 -12.370 4.479 9.081 755 HD1 TYR 93 HD2 TYR 93 -14.534 4.766 6.063 756 HD2 TYR 93 HD1 TYR 93 -11.216 6.310 8.228 757 HE1 TYR 93 HE2 TYR 93 -14.383 6.641 4.482 758 HE2 TYR 93 HE1 TYR 93 -11.054 8.188 6.652 759 HH TYR 93 HH TYR 93 -11.693 8.728 4.349 760 H ASN 94 H ASN 94 -11.747 3.154 5.213 761 HA ASN 94 HA ASN 94 -8.901 3.343 5.903 762 HB2 ASN 94 1HB ASN 94 -8.468 2.470 3.593 763 HB3 ASN 94 2HB ASN 94 -9.267 1.324 4.658 764 HD21 ASN 94 2HD2 ASN 94 -10.106 0.121 3.003 765 HD22 ASN 94 1HD2 ASN 94 -11.382 0.678 1.979 766 HA PRO 95 HA PRO 95 -8.965 7.349 3.985 767 HB2 PRO 95 1HB PRO 95 -6.121 7.151 3.452 768 HB3 PRO 95 2HB PRO 95 -6.949 8.110 4.678 769 HG2 PRO 95 1HG PRO 95 -5.365 5.971 5.265 770 HG3 PRO 95 2HG PRO 95 -6.718 6.497 6.283 771 HD2 PRO 95 1HD PRO 95 -6.600 4.263 4.292 772 HD3 PRO 95 2HD PRO 95 -7.365 4.306 5.896 773 H ALA 96 H ALA 96 -9.338 4.898 2.255 774 HA ALA 96 HA ALA 96 -7.795 5.276 -0.105 775 HB1 ALA 96 3HB ALA 96 -9.307 3.674 -1.148 776 HB2 ALA 96 1HB ALA 96 -10.391 3.780 0.240 777 HB3 ALA 96 2HB ALA 96 -8.770 3.109 0.433 778 HA PRO 97 HA PRO 97 -11.787 7.629 -1.726 779 HB2 PRO 97 1HB PRO 97 -13.135 8.890 0.332 780 HB3 PRO 97 2HB PRO 97 -13.681 7.416 -0.471 781 HG2 PRO 97 1HG PRO 97 -12.228 7.739 2.119 782 HG3 PRO 97 2HG PRO 97 -13.542 6.624 1.700 783 HD2 PRO 97 1HD PRO 97 -10.992 5.804 1.837 784 HD3 PRO 97 2HD PRO 97 -12.113 5.149 0.623 785 H ASP 98 H ASP 98 -10.087 8.524 1.225 786 HA ASP 98 HA ASP 98 -9.851 11.298 0.606 787 HB2 ASP 98 1HB ASP 98 -8.246 9.552 2.489 788 HB3 ASP 98 2HB ASP 98 -8.126 11.306 2.404 789 H LEU 99 H LEU 99 -7.866 8.450 0.089 790 HA LEU 99 HA LEU 99 -5.557 9.639 -0.932 791 HB2 LEU 99 1HB LEU 99 -5.757 7.261 -0.335 792 HB3 LEU 99 2HB LEU 99 -6.856 7.007 -1.670 793 HG LEU 99 HG LEU 99 -4.437 6.212 -1.925 794 HD11 LEU 99 1HD1 LEU 99 -5.637 7.990 -4.037 795 HD12 LEU 99 2HD1 LEU 99 -5.982 6.277 -3.785 796 HD13 LEU 99 3HD1 LEU 99 -4.373 6.786 -4.299 797 HD21 LEU 99 3HD2 LEU 99 -4.020 9.160 -2.363 798 HD22 LEU 99 1HD2 LEU 99 -2.860 7.893 -2.762 799 HD23 LEU 99 2HD2 LEU 99 -3.314 8.176 -1.082 800 H ALA 100 H ALA 100 -8.549 8.659 -2.556 801 HA ALA 100 HA ALA 100 -7.733 9.336 -5.171 802 HB1 ALA 100 3HB ALA 100 -10.121 9.278 -5.725 803 HB2 ALA 100 1HB ALA 100 -10.514 9.235 -4.007 804 HB3 ALA 100 2HB ALA 100 -9.643 7.890 -4.746 805 H ASP 101 H ASP 101 -9.380 11.180 -2.636 806 HA ASP 101 HA ASP 101 -9.816 13.500 -4.211 807 HB2 ASP 101 1HB ASP 101 -11.102 13.077 -2.166 808 HB3 ASP 101 2HB ASP 101 -9.635 13.231 -1.201 809 H ALA 102 H ALA 102 -7.251 12.519 -1.996 810 HA ALA 102 HA ALA 102 -5.794 14.958 -2.171 811 HB1 ALA 102 3HB ALA 102 -4.836 12.212 -1.371 812 HB2 ALA 102 1HB ALA 102 -5.526 13.424 -0.289 813 HB3 ALA 102 2HB ALA 102 -3.982 13.730 -1.087 814 H MET 103 H MET 103 -6.104 12.258 -4.248 815 HA MET 103 HA MET 103 -3.632 12.680 -5.653 816 HB2 MET 103 1HB MET 103 -4.614 10.455 -5.612 817 HB3 MET 103 2HB MET 103 -6.082 11.061 -6.363 818 HG2 MET 103 1HG MET 103 -4.865 11.570 -8.395 819 HG3 MET 103 2HG MET 103 -3.358 11.041 -7.648 820 HE1 MET 103 3HE MET 103 -2.806 8.580 -7.013 821 HE2 MET 103 1HE MET 103 -3.903 7.217 -7.230 822 HE3 MET 103 2HE MET 103 -4.260 8.453 -6.025 823 H LYS 104 H LYS 104 -7.054 13.298 -6.314 824 HA LYS 104 HA LYS 104 -6.421 14.652 -8.784 825 HB2 LYS 104 1HB LYS 104 -8.431 13.263 -8.606 826 HB3 LYS 104 2HB LYS 104 -9.059 14.321 -7.350 827 HG2 LYS 104 1HG LYS 104 -9.199 16.157 -8.923 828 HG3 LYS 104 2HG LYS 104 -8.487 15.150 -10.187 829 HD2 LYS 104 1HD LYS 104 -10.392 13.675 -10.149 830 HD3 LYS 104 2HD LYS 104 -11.078 14.538 -8.771 831 HE2 LYS 104 1HE LYS 104 -10.575 15.739 -11.491 832 HE3 LYS 104 2HE LYS 104 -12.133 15.139 -10.926 833 HZ1 LYS 104 3HZ LYS 104 -11.982 17.524 -10.660 834 HZ2 LYS 104 1HZ LYS 104 -10.588 17.367 -9.706 835 HZ3 LYS 104 2HZ LYS 104 -12.074 16.774 -9.145 836 H GLY 105 H GLY 105 -7.389 15.553 -5.527 837 HA2 GLY 105 1HA GLY 105 -7.869 18.307 -6.150 838 HA3 GLY 105 2HA GLY 105 -7.719 17.609 -4.543 839 H TYR 106 H TYR 106 -5.045 16.479 -5.688 840 HA TYR 106 HA TYR 106 -3.409 18.613 -4.672 841 HB2 TYR 106 1HB TYR 106 -2.934 16.174 -4.311 842 HB3 TYR 106 2HB TYR 106 -2.547 16.041 -6.020 843 HD1 TYR 106 HD2 TYR 106 -1.542 17.781 -2.895 844 HD2 TYR 106 HD1 TYR 106 -0.374 16.485 -6.774 845 HE1 TYR 106 HE2 TYR 106 0.783 18.400 -2.394 846 HE2 TYR 106 HE1 TYR 106 1.959 17.098 -6.285 847 HH TYR 106 HH TYR 106 3.208 18.562 -4.792 848 H ARG 107 H ARG 107 -4.751 17.883 -7.668 849 HA ARG 107 HA ARG 107 -2.607 18.603 -9.381 850 HB2 ARG 107 1HB ARG 107 -4.649 17.253 -10.023 851 HB3 ARG 107 2HB ARG 107 -5.541 18.771 -10.057 852 HG2 ARG 107 1HG ARG 107 -4.108 19.626 -11.789 853 HG3 ARG 107 2HG ARG 107 -3.090 18.190 -11.700 854 HD2 ARG 107 1HD ARG 107 -5.134 16.852 -12.331 855 HD3 ARG 107 2HD ARG 107 -5.931 18.391 -12.674 856 HE ARG 107 HE ARG 107 -3.763 18.675 -14.148 857 HH11 ARG 107 1HH1 ARG 107 -5.937 15.945 -13.852 858 HH12 ARG 107 2HH1 ARG 107 -5.481 15.244 -15.375 859 HH21 ARG 107 1HH2 ARG 107 -3.134 17.755 -16.135 860 HH22 ARG 107 2HH2 ARG 107 -3.877 16.272 -16.674 861 H LYS 108 H LYS 108 -4.645 20.431 -7.392 862 HA LYS 108 HA LYS 108 -4.769 22.895 -8.710 863 HB2 LYS 108 1HB LYS 108 -4.318 22.394 -5.756 864 HB3 LYS 108 2HB LYS 108 -4.900 23.890 -6.473 865 HG2 LYS 108 1HG LYS 108 -6.950 22.868 -7.128 866 HG3 LYS 108 2HG LYS 108 -6.356 21.268 -6.671 867 HD2 LYS 108 1HD LYS 108 -6.213 22.000 -4.333 868 HD3 LYS 108 2HD LYS 108 -6.830 23.588 -4.798 869 HE2 LYS 108 1HE LYS 108 -8.303 20.983 -5.173 870 HE3 LYS 108 2HE LYS 108 -8.558 22.103 -3.835 871 HZ1 LYS 108 3HZ LYS 108 -9.142 23.812 -5.496 872 HZ2 LYS 108 1HZ LYS 108 -10.209 22.491 -5.495 873 HZ3 LYS 108 2HZ LYS 108 -9.039 22.637 -6.716 874 H LYS 109 H LYS 109 -2.194 21.234 -7.081 875 HA LYS 109 HA LYS 109 0.003 21.611 -6.760 876 HB2 LYS 109 1HB LYS 109 -0.043 21.741 -9.238 877 HB3 LYS 109 2HB LYS 109 -0.271 23.480 -9.121 878 HG2 LYS 109 1HG LYS 109 1.892 23.748 -8.105 879 HG3 LYS 109 2HG LYS 109 2.119 21.998 -8.045 880 HD2 LYS 109 1HD LYS 109 2.164 21.870 -10.448 881 HD3 LYS 109 2HD LYS 109 1.743 23.580 -10.586 882 HE2 LYS 109 1HE LYS 109 4.259 22.521 -9.304 883 HE3 LYS 109 2HE LYS 109 4.149 23.126 -10.958 884 HZ1 LYS 109 3HZ LYS 109 3.508 25.277 -10.115 885 HZ2 LYS 109 1HZ LYS 109 4.977 24.810 -9.411 886 HZ3 LYS 109 2HZ LYS 109 3.538 24.712 -8.518 887 H ASN 110 H ASN 110 -0.382 22.558 -4.757 888 HA ASN 110 HA ASN 110 -1.002 25.259 -4.337 889 HB2 ASN 110 1HB ASN 110 0.322 23.230 -2.531 890 HB3 ASN 110 2HB ASN 110 -0.189 24.829 -1.998 891 HD21 ASN 110 2HD2 ASN 110 -1.102 22.162 -1.162 892 HD22 ASN 110 1HD2 ASN 110 -2.808 22.140 -1.437 893 H LEU 111 H LEU 111 0.246 27.014 -3.762 894 HA LEU 111 HA LEU 111 2.661 27.188 -5.267 895 HB2 LEU 111 1HB LEU 111 1.426 29.177 -3.360 896 HB3 LEU 111 2HB LEU 111 2.712 29.520 -4.501 897 HG LEU 111 HG LEU 111 -0.107 28.713 -5.224 898 HD11 LEU 111 1HD1 LEU 111 -0.302 31.004 -6.054 899 HD12 LEU 111 2HD1 LEU 111 1.317 31.360 -5.450 900 HD13 LEU 111 3HD1 LEU 111 0.021 30.969 -4.319 901 HD21 LEU 111 3HD2 LEU 111 0.573 29.240 -7.521 902 HD22 LEU 111 1HD2 LEU 111 1.502 27.897 -6.855 903 HD23 LEU 111 2HD2 LEU 111 2.226 29.501 -6.966 904 H GLU 112 H GLU 112 1.930 27.164 -1.804 905 HA GLU 112 HA GLU 112 4.769 27.437 -1.206 906 HB2 GLU 112 1HB GLU 112 3.177 28.811 0.064 907 HB3 GLU 112 2HB GLU 112 2.394 27.353 0.662 908 HG2 GLU 112 1HG GLU 112 4.297 26.742 1.926 909 HG3 GLU 112 2HG GLU 112 5.295 27.964 1.141 910 H HIS 113 H HIS 113 6.005 25.757 -0.935 911 HA HIS 113 HA HIS 113 4.833 23.127 -0.438 912 HB2 HIS 113 1HB HIS 113 6.513 23.374 -2.240 913 HB3 HIS 113 2HB HIS 113 7.696 23.910 -1.053 914 HD1 HIS 113 HD1 HIS 113 9.281 22.112 -0.487 915 HD2 HIS 113 HD2 HIS 113 5.494 20.611 -1.350 916 HE1 HIS 113 HE1 HIS 113 9.461 19.614 -0.232 917 HE2 HIS 113 HE2 HIS 113 7.144 18.727 -0.679 918 H HIS 114 H HIS 114 4.713 22.337 1.539 919 HA HIS 114 HA HIS 114 6.253 23.614 3.678 920 HB2 HIS 114 1HB HIS 114 3.847 21.783 3.737 921 HB3 HIS 114 2HB HIS 114 4.662 22.383 5.180 922 HD1 HIS 114 HD1 HIS 114 1.747 23.074 3.415 923 HD2 HIS 114 HD2 HIS 114 4.880 25.464 4.746 924 HE1 HIS 114 HE1 HIS 114 0.840 25.418 3.473 925 HE2 HIS 114 HE2 HIS 114 2.824 26.864 4.048 926 H HIS 115 H HIS 115 6.638 21.829 5.574 927 HA HIS 115 HA HIS 115 8.326 19.845 4.214 928 HB2 HIS 115 1HB HIS 115 9.803 19.892 6.155 929 HB3 HIS 115 2HB HIS 115 9.596 21.505 5.489 930 HD1 HIS 115 HD1 HIS 115 8.683 23.294 7.019 931 HD2 HIS 115 HD2 HIS 115 8.485 19.475 8.663 932 HE1 HIS 115 HE1 HIS 115 8.078 23.622 9.445 933 HE2 HIS 115 HE2 HIS 115 7.884 21.293 10.398 934 H HIS 116 H HIS 116 5.535 20.089 6.052 935 HA HIS 116 HA HIS 116 5.623 17.644 7.471 936 HB2 HIS 116 1HB HIS 116 3.831 19.346 7.784 937 HB3 HIS 116 2HB HIS 116 3.210 18.963 6.183 938 HD1 HIS 116 HD1 HIS 116 2.949 17.996 9.690 939 HD2 HIS 116 HD2 HIS 116 2.157 16.227 6.007 940 HE1 HIS 116 HE1 HIS 116 1.468 16.029 10.185 941 HE2 HIS 116 HE2 HIS 116 1.114 14.885 7.970 942 H HIS 117 H HIS 117 4.571 18.496 4.214 943 HA HIS 117 HA HIS 117 5.104 15.714 3.416 944 HB2 HIS 117 1HB HIS 117 2.764 16.448 2.967 945 HB3 HIS 117 2HB HIS 117 3.392 17.755 1.969 946 HD1 HIS 117 HD1 HIS 117 4.998 16.793 -0.119 947 HD2 HIS 117 HD2 HIS 117 2.192 14.222 1.559 948 HE1 HIS 117 HE1 HIS 117 4.629 14.991 -1.825 949 HE2 HIS 117 HE2 HIS 117 3.146 13.321 -0.663 950 H HIS 118 H HIS 118 7.128 15.672 2.721 951 HA HIS 118 HA HIS 118 8.384 17.996 1.580 952 HB2 HIS 118 1HB HIS 118 10.339 16.333 1.305 953 HB3 HIS 118 2HB HIS 118 9.835 16.750 2.940 954 HD1 HIS 118 HD1 HIS 118 10.012 14.736 4.342 955 HD2 HIS 118 HD2 HIS 118 8.579 13.834 0.550 956 HE1 HIS 118 HE1 HIS 118 9.484 12.279 4.383 957 HE2 HIS 118 HE2 HIS 118 8.309 11.857 2.191 Start of MODEL 4 1 H1 SER 1 1H SER 1 -6.452 -3.898 20.668 2 H2 SER 1 2H SER 1 -5.425 -5.131 21.227 3 H3 SER 1 3H SER 1 -5.201 -4.473 19.680 4 HA SER 1 HA SER 1 -4.587 -2.369 20.587 5 HB2 SER 1 1HB SER 1 -5.005 -3.716 23.267 6 HB3 SER 1 2HB SER 1 -4.345 -2.098 23.028 7 HG SER 1 HG SER 1 -6.395 -1.628 21.921 8 H SER 2 H SER 2 -2.743 -2.899 19.510 9 HA SER 2 HA SER 2 -0.482 -3.738 20.973 10 HB2 SER 2 1HB SER 2 -0.153 -5.823 19.366 11 HB3 SER 2 2HB SER 2 -1.042 -5.978 20.882 12 HG SER 2 HG SER 2 -2.102 -5.676 18.261 13 H ASN 3 H ASN 3 1.447 -4.049 19.436 14 HA ASN 3 HA ASN 3 1.369 -1.775 17.668 15 HB2 ASN 3 1HB ASN 3 3.765 -1.996 17.530 16 HB3 ASN 3 2HB ASN 3 3.280 -2.213 19.206 17 HD21 ASN 3 2HD2 ASN 3 5.680 -3.077 17.752 18 HD22 ASN 3 1HD2 ASN 3 5.776 -4.795 17.989 19 H ASN 4 H ASN 4 0.127 -4.539 17.030 20 HA ASN 4 HA ASN 4 1.495 -5.161 14.532 21 HB2 ASN 4 1HB ASN 4 0.010 -7.068 14.374 22 HB3 ASN 4 2HB ASN 4 0.687 -7.006 15.997 23 HD21 ASN 4 2HD2 ASN 4 -1.746 -8.284 15.004 24 HD22 ASN 4 1HD2 ASN 4 -3.038 -7.623 15.955 25 H ASN 5 H ASN 5 -0.572 -2.862 15.461 26 HA ASN 5 HA ASN 5 -2.427 -2.999 13.240 27 HB2 ASN 5 1HB ASN 5 -1.954 -0.872 15.336 28 HB3 ASN 5 2HB ASN 5 -3.150 -0.728 14.053 29 HD21 ASN 5 2HD2 ASN 5 -3.700 -3.662 14.231 30 HD22 ASN 5 1HD2 ASN 5 -4.692 -3.838 15.633 31 H SER 6 H SER 6 0.724 -1.947 13.739 32 HA SER 6 HA SER 6 0.898 0.249 12.000 33 HB2 SER 6 1HB SER 6 3.014 -1.849 12.548 34 HB3 SER 6 2HB SER 6 3.288 -0.221 11.929 35 HG SER 6 HG SER 6 2.319 0.539 13.939 36 H PHE 7 H PHE 7 1.308 0.408 9.815 37 HA PHE 7 HA PHE 7 -0.013 -1.409 8.184 38 HB2 PHE 7 1HB PHE 7 0.612 1.054 7.741 39 HB3 PHE 7 2HB PHE 7 2.138 0.414 7.140 40 HD1 PHE 7 HD2 PHE 7 2.211 -0.907 5.091 41 HD2 PHE 7 HD1 PHE 7 -1.435 0.742 6.535 42 HE1 PHE 7 HE2 PHE 7 1.165 -1.308 2.901 43 HE2 PHE 7 HE1 PHE 7 -2.489 0.348 4.346 44 HZ PHE 7 HZ PHE 7 -1.186 -0.681 2.526 45 H SER 8 H SER 8 3.483 -1.037 8.740 46 HA SER 8 HA SER 8 4.392 -2.896 6.877 47 HB2 SER 8 1HB SER 8 5.588 -2.213 9.569 48 HB3 SER 8 2HB SER 8 6.433 -3.029 8.253 49 HG SER 8 HG SER 8 5.657 -0.357 8.503 50 H ALA 9 H ALA 9 3.104 -3.429 10.108 51 HA ALA 9 HA ALA 9 3.998 -6.109 10.381 52 HB1 ALA 9 3HB ALA 9 2.427 -6.251 12.232 53 HB2 ALA 9 1HB ALA 9 1.655 -4.754 11.712 54 HB3 ALA 9 2HB ALA 9 3.318 -4.730 12.295 55 H ILE 10 H ILE 10 0.805 -4.754 9.586 56 HA ILE 10 HA ILE 10 -0.369 -7.253 8.945 57 HB ILE 10 HB ILE 10 -1.213 -4.499 8.025 58 HG12 ILE 10 1HG1 ILE 10 -2.067 -6.126 10.431 59 HG13 ILE 10 2HG1 ILE 10 -1.045 -4.694 10.476 60 HG21 ILE 10 1HG2 ILE 10 -3.437 -5.514 7.771 61 HG22 ILE 10 2HG2 ILE 10 -2.755 -7.090 8.174 62 HG23 ILE 10 3HG2 ILE 10 -2.249 -6.258 6.704 63 HD11 ILE 10 3HD1 ILE 10 -3.916 -4.788 9.585 64 HD12 ILE 10 1HD1 ILE 10 -2.895 -3.350 9.630 65 HD13 ILE 10 2HD1 ILE 10 -3.320 -4.178 11.129 66 H TYR 11 H TYR 11 1.408 -4.872 7.102 67 HA TYR 11 HA TYR 11 0.962 -5.756 4.509 68 HB2 TYR 11 1HB TYR 11 2.157 -3.758 4.692 69 HB3 TYR 11 2HB TYR 11 3.283 -4.424 5.866 70 HD1 TYR 11 HD1 TYR 11 2.266 -5.368 2.377 71 HD2 TYR 11 HD2 TYR 11 5.424 -4.455 5.078 72 HE1 TYR 11 HE1 TYR 11 3.907 -5.763 0.587 73 HE2 TYR 11 HE2 TYR 11 7.071 -4.851 3.299 74 HH TYR 11 HH TYR 11 7.386 -5.665 1.220 75 H LYS 12 H LYS 12 3.423 -6.888 6.846 76 HA LYS 12 HA LYS 12 4.600 -8.742 5.078 77 HB2 LYS 12 1HB LYS 12 5.654 -7.972 7.204 78 HB3 LYS 12 2HB LYS 12 4.495 -8.955 8.091 79 HG2 LYS 12 1HG LYS 12 5.356 -10.948 6.857 80 HG3 LYS 12 2HG LYS 12 6.614 -9.913 6.181 81 HD2 LYS 12 1HD LYS 12 7.376 -9.396 8.468 82 HD3 LYS 12 2HD LYS 12 6.156 -10.500 9.104 83 HE2 LYS 12 1HE LYS 12 7.202 -12.327 7.782 84 HE3 LYS 12 2HE LYS 12 8.474 -11.204 7.304 85 HZ1 LYS 12 3HZ LYS 12 7.877 -12.225 10.025 86 HZ2 LYS 12 1HZ LYS 12 8.901 -10.900 9.752 87 HZ3 LYS 12 2HZ LYS 12 9.300 -12.425 9.127 88 H GLU 13 H GLU 13 1.978 -9.052 7.434 89 HA GLU 13 HA GLU 13 1.584 -11.828 7.143 90 HB2 GLU 13 1HB GLU 13 0.623 -10.310 8.939 91 HB3 GLU 13 2HB GLU 13 -0.574 -9.807 7.755 92 HG2 GLU 13 1HG GLU 13 -1.349 -12.114 7.556 93 HG3 GLU 13 2HG GLU 13 -0.148 -12.616 8.746 94 H TRP 14 H TRP 14 -0.018 -9.068 5.584 95 HA TRP 14 HA TRP 14 -1.673 -10.465 3.824 96 HB2 TRP 14 1HB TRP 14 -2.013 -8.128 4.122 97 HB3 TRP 14 2HB TRP 14 -0.356 -7.752 3.669 98 HD1 TRP 14 HD1 TRP 14 -3.702 -8.831 2.069 99 HE1 TRP 14 HE1 TRP 14 -3.666 -8.106 -0.407 100 HE3 TRP 14 HE3 TRP 14 1.121 -7.166 1.777 101 HZ2 TRP 14 HZ2 TRP 14 -1.834 -6.982 -2.231 102 HZ3 TRP 14 HZ3 TRP 14 1.937 -6.281 -0.367 103 HH2 TRP 14 HH2 TRP 14 0.489 -6.191 -2.329 104 H TYR 15 H TYR 15 1.625 -9.245 3.346 105 HA TYR 15 HA TYR 15 2.043 -10.086 0.734 106 HB2 TYR 15 1HB TYR 15 3.662 -8.654 1.697 107 HB3 TYR 15 2HB TYR 15 3.930 -9.737 3.059 108 HD1 TYR 15 HD2 TYR 15 4.076 -9.990 -0.680 109 HD2 TYR 15 HD1 TYR 15 5.965 -10.795 3.045 110 HE1 TYR 15 HE2 TYR 15 5.960 -11.030 -1.867 111 HE2 TYR 15 HE1 TYR 15 7.855 -11.838 1.874 112 HH TYR 15 HH TYR 15 8.344 -11.493 -1.464 113 H GLU 16 H GLU 16 2.779 -11.852 3.749 114 HA GLU 16 HA GLU 16 3.892 -14.097 2.480 115 HB2 GLU 16 1HB GLU 16 3.819 -13.347 5.016 116 HB3 GLU 16 2HB GLU 16 2.428 -14.423 5.059 117 HG2 GLU 16 1HG GLU 16 4.055 -15.901 5.611 118 HG3 GLU 16 2HG GLU 16 4.101 -16.062 3.852 119 H HIS 17 H HIS 17 0.591 -13.259 3.295 120 HA HIS 17 HA HIS 17 -0.530 -15.828 2.753 121 HB2 HIS 17 1HB HIS 17 -1.704 -13.069 3.036 122 HB3 HIS 17 2HB HIS 17 -2.698 -14.439 2.562 123 HD1 HIS 17 HD1 HIS 17 -0.006 -14.554 5.229 124 HD2 HIS 17 HD2 HIS 17 -4.141 -14.686 4.877 125 HE1 HIS 17 HE1 HIS 17 -0.857 -15.138 7.515 126 HE2 HIS 17 HE2 HIS 17 -3.357 -14.938 7.332 127 H LYS 18 H LYS 18 -0.285 -12.809 0.881 128 HA LYS 18 HA LYS 18 -1.586 -13.943 -1.409 129 HB2 LYS 18 1HB LYS 18 0.008 -11.393 -1.108 130 HB3 LYS 18 2HB LYS 18 -0.912 -11.835 -2.540 131 HG2 LYS 18 1HG LYS 18 -2.038 -11.354 0.214 132 HG3 LYS 18 2HG LYS 18 -2.140 -10.256 -1.164 133 HD2 LYS 18 1HD LYS 18 -3.261 -13.054 -1.172 134 HD3 LYS 18 2HD LYS 18 -4.200 -11.629 -0.728 135 HE2 LYS 18 1HE LYS 18 -2.773 -11.914 -3.364 136 HE3 LYS 18 2HE LYS 18 -4.444 -12.414 -3.114 137 HZ1 LYS 18 3HZ LYS 18 -4.445 -10.228 -4.020 138 HZ2 LYS 18 1HZ LYS 18 -3.351 -9.661 -2.860 139 HZ3 LYS 18 2HZ LYS 18 -4.916 -10.100 -2.400 140 H LYS 19 H LYS 19 1.563 -14.079 -0.180 141 HA LYS 19 HA LYS 19 3.056 -14.338 -2.568 142 HB2 LYS 19 1HB LYS 19 3.985 -13.937 -0.263 143 HB3 LYS 19 2HB LYS 19 3.635 -15.618 0.111 144 HG2 LYS 19 1HG LYS 19 5.153 -16.325 -1.669 145 HG3 LYS 19 2HG LYS 19 5.522 -14.635 -2.017 146 HD2 LYS 19 1HD LYS 19 7.280 -15.440 -0.648 147 HD3 LYS 19 2HD LYS 19 6.264 -14.435 0.386 148 HE2 LYS 19 1HE LYS 19 5.121 -16.491 1.173 149 HE3 LYS 19 2HE LYS 19 6.261 -17.444 0.224 150 HZ1 LYS 19 3HZ LYS 19 8.050 -16.273 1.550 151 HZ2 LYS 19 1HZ LYS 19 7.108 -17.404 2.394 152 HZ3 LYS 19 2HZ LYS 19 6.815 -15.743 2.583 153 H GLN 20 H GLN 20 0.827 -16.384 -0.996 154 HA GLN 20 HA GLN 20 1.767 -18.806 -2.300 155 HB2 GLN 20 1HB GLN 20 -0.668 -18.258 -0.590 156 HB3 GLN 20 2HB GLN 20 -0.220 -19.840 -1.215 157 HG2 GLN 20 1HG GLN 20 1.830 -19.803 0.068 158 HG3 GLN 20 2HG GLN 20 1.470 -18.175 0.638 159 HE21 GLN 20 2HE2 GLN 20 1.901 -20.678 2.112 160 HE22 GLN 20 1HE2 GLN 20 0.483 -20.898 3.080 161 H VAL 21 H VAL 21 -0.051 -16.142 -3.116 162 HA VAL 21 HA VAL 21 -1.807 -17.600 -4.957 163 HB VAL 21 HB VAL 21 -1.842 -14.660 -4.244 164 HG11 VAL 21 1HG1 VAL 21 -2.814 -15.098 -6.426 165 HG12 VAL 21 2HG1 VAL 21 -4.075 -14.672 -5.268 166 HG13 VAL 21 3HG1 VAL 21 -3.841 -16.355 -5.737 167 HG21 VAL 21 3HG2 VAL 21 -3.589 -16.903 -3.234 168 HG22 VAL 21 1HG2 VAL 21 -3.807 -15.189 -2.879 169 HG23 VAL 21 2HG2 VAL 21 -2.370 -16.034 -2.301 170 H TRP 22 H TRP 22 0.656 -15.077 -4.864 171 HA TRP 22 HA TRP 22 0.698 -14.940 -7.779 172 HB2 TRP 22 1HB TRP 22 2.386 -13.426 -5.776 173 HB3 TRP 22 2HB TRP 22 2.274 -13.104 -7.501 174 HD1 TRP 22 HD1 TRP 22 -0.906 -13.152 -7.789 175 HE1 TRP 22 HE1 TRP 22 -2.282 -11.211 -6.796 176 HE3 TRP 22 HE3 TRP 22 2.500 -11.420 -4.398 177 HZ2 TRP 22 HZ2 TRP 22 -1.950 -9.208 -4.829 178 HZ3 TRP 22 HZ3 TRP 22 1.898 -9.487 -3.001 179 HH2 TRP 22 HH2 TRP 22 -0.281 -8.404 -3.213 180 H SER 23 H SER 23 2.824 -15.045 -8.885 181 HA SER 23 HA SER 23 4.319 -17.344 -8.158 182 HB2 SER 23 1HB SER 23 5.892 -16.507 -9.980 183 HB3 SER 23 2HB SER 23 4.225 -16.791 -10.481 184 HG SER 23 HG SER 23 3.847 -14.608 -10.465 185 H VAL 24 H VAL 24 6.230 -17.523 -7.077 186 HA VAL 24 HA VAL 24 6.796 -15.692 -5.065 187 HB VAL 24 HB VAL 24 8.632 -17.806 -6.199 188 HG11 VAL 24 1HG1 VAL 24 9.861 -16.183 -4.846 189 HG12 VAL 24 2HG1 VAL 24 9.745 -17.737 -4.021 190 HG13 VAL 24 3HG1 VAL 24 8.707 -16.399 -3.529 191 HG21 VAL 24 3HG2 VAL 24 7.772 -19.172 -4.341 192 HG22 VAL 24 1HG2 VAL 24 6.503 -18.707 -5.476 193 HG23 VAL 24 2HG2 VAL 24 6.652 -17.873 -3.930 194 H GLY 25 H GLY 25 8.319 -16.047 -8.245 195 HA2 GLY 25 1HA GLY 25 10.435 -14.240 -7.890 196 HA3 GLY 25 2HA GLY 25 9.659 -14.596 -9.427 197 H TYR 26 H TYR 26 7.159 -13.650 -9.135 198 HA TYR 26 HA TYR 26 7.533 -10.842 -9.373 199 HB2 TYR 26 1HB TYR 26 5.862 -11.984 -10.723 200 HB3 TYR 26 2HB TYR 26 5.001 -12.497 -9.276 201 HD1 TYR 26 HD2 TYR 26 6.284 -9.273 -10.691 202 HD2 TYR 26 HD1 TYR 26 3.055 -11.345 -8.849 203 HE1 TYR 26 HE2 TYR 26 4.928 -7.223 -10.776 204 HE2 TYR 26 HE1 TYR 26 1.692 -9.300 -8.927 205 HH TYR 26 HH TYR 26 2.666 -6.503 -10.713 206 H ALA 27 H ALA 27 6.172 -12.948 -6.874 207 HA ALA 27 HA ALA 27 5.033 -10.949 -5.265 208 HB1 ALA 27 3HB ALA 27 5.088 -12.595 -3.469 209 HB2 ALA 27 1HB ALA 27 6.200 -13.593 -4.405 210 HB3 ALA 27 2HB ALA 27 4.554 -13.328 -4.982 211 H THR 28 H THR 28 8.306 -12.267 -5.363 212 HA THR 28 HA THR 28 9.247 -10.908 -3.064 213 HB THR 28 HB THR 28 10.840 -11.932 -5.423 214 HG1 THR 28 HG1 THR 28 9.838 -13.693 -4.596 215 HG21 THR 28 3HG2 THR 28 12.117 -10.400 -3.997 216 HG22 THR 28 1HG2 THR 28 12.695 -12.057 -3.820 217 HG23 THR 28 2HG2 THR 28 11.669 -11.343 -2.575 218 H GLU 29 H GLU 29 9.415 -10.133 -6.548 219 HA GLU 29 HA GLU 29 10.816 -7.699 -6.213 220 HB2 GLU 29 1HB GLU 29 9.020 -8.686 -8.424 221 HB3 GLU 29 2HB GLU 29 9.844 -7.135 -8.490 222 HG2 GLU 29 1HG GLU 29 11.998 -8.331 -8.229 223 HG3 GLU 29 2HG GLU 29 11.116 -9.854 -8.330 224 H LEU 30 H LEU 30 7.359 -8.435 -6.460 225 HA LEU 30 HA LEU 30 6.364 -5.833 -6.311 226 HB2 LEU 30 1HB LEU 30 4.990 -7.783 -6.859 227 HB3 LEU 30 2HB LEU 30 5.185 -8.399 -5.232 228 HG LEU 30 HG LEU 30 3.914 -5.716 -5.598 229 HD11 LEU 30 1HD1 LEU 30 1.728 -6.787 -5.870 230 HD12 LEU 30 2HD1 LEU 30 2.516 -8.359 -6.006 231 HD13 LEU 30 3HD1 LEU 30 2.787 -7.128 -7.238 232 HD21 LEU 30 3HD2 LEU 30 2.639 -6.445 -3.634 233 HD22 LEU 30 1HD2 LEU 30 4.377 -6.531 -3.343 234 HD23 LEU 30 2HD2 LEU 30 3.465 -8.004 -3.678 235 H ALA 31 H ALA 31 7.326 -8.075 -3.766 236 HA ALA 31 HA ALA 31 6.462 -6.503 -1.589 237 HB1 ALA 31 3HB ALA 31 8.628 -8.595 -1.684 238 HB2 ALA 31 1HB ALA 31 6.918 -8.876 -1.353 239 HB3 ALA 31 2HB ALA 31 7.894 -7.937 -0.221 240 H LYS 32 H LYS 32 9.758 -6.925 -2.959 241 HA LYS 32 HA LYS 32 10.917 -5.091 -1.153 242 HB2 LYS 32 1HB LYS 32 12.110 -6.857 -2.571 243 HB3 LYS 32 2HB LYS 32 12.052 -5.678 -3.877 244 HG2 LYS 32 1HG LYS 32 13.242 -4.071 -2.423 245 HG3 LYS 32 2HG LYS 32 13.388 -5.336 -1.203 246 HD2 LYS 32 1HD LYS 32 14.621 -6.718 -2.843 247 HD3 LYS 32 2HD LYS 32 14.541 -5.377 -3.989 248 HE2 LYS 32 1HE LYS 32 15.950 -5.446 -1.328 249 HE3 LYS 32 2HE LYS 32 16.679 -5.298 -2.928 250 HZ1 LYS 32 3HZ LYS 32 16.669 -3.143 -2.026 251 HZ2 LYS 32 1HZ LYS 32 15.079 -3.285 -1.460 252 HZ3 LYS 32 2HZ LYS 32 15.377 -3.159 -3.123 253 H MET 33 H MET 33 9.344 -4.667 -4.237 254 HA MET 33 HA MET 33 10.110 -1.967 -4.655 255 HB2 MET 33 1HB MET 33 9.202 -3.262 -6.482 256 HB3 MET 33 2HB MET 33 7.708 -3.542 -5.600 257 HG2 MET 33 1HG MET 33 8.332 -0.720 -5.958 258 HG3 MET 33 2HG MET 33 8.123 -1.599 -7.472 259 HE1 MET 33 3HE MET 33 4.494 -2.914 -7.275 260 HE2 MET 33 1HE MET 33 5.996 -3.783 -6.945 261 HE3 MET 33 2HE MET 33 5.910 -2.653 -8.297 262 H PHE 34 H PHE 34 7.304 -3.482 -3.117 263 HA PHE 34 HA PHE 34 5.991 -1.145 -2.232 264 HB2 PHE 34 1HB PHE 34 5.155 -3.571 -2.242 265 HB3 PHE 34 2HB PHE 34 6.094 -3.803 -0.776 266 HD1 PHE 34 HD1 PHE 34 5.565 -2.081 1.157 267 HD2 PHE 34 HD2 PHE 34 2.958 -2.991 -2.079 268 HE1 PHE 34 HE1 PHE 34 3.646 -1.318 2.493 269 HE2 PHE 34 HE2 PHE 34 1.035 -2.221 -0.753 270 HZ PHE 34 HZ PHE 34 1.378 -1.385 1.536 271 H ASP 35 H ASP 35 8.429 -3.230 -0.776 272 HA ASP 35 HA ASP 35 8.779 -2.137 1.713 273 HB2 ASP 35 1HB ASP 35 10.446 -3.641 -0.185 274 HB3 ASP 35 2HB ASP 35 11.356 -2.705 0.991 275 H ASP 36 H ASP 36 10.785 -1.277 -1.112 276 HA ASP 36 HA ASP 36 12.164 0.691 0.426 277 HB2 ASP 36 1HB ASP 36 13.243 -0.659 -1.337 278 HB3 ASP 36 2HB ASP 36 12.286 0.188 -2.548 279 H ASP 37 H ASP 37 9.420 0.852 -1.704 280 HA ASP 37 HA ASP 37 9.768 3.757 -1.969 281 HB2 ASP 37 1HB ASP 37 8.081 1.765 -3.453 282 HB3 ASP 37 2HB ASP 37 7.760 3.493 -3.559 283 H ILE 38 H ILE 38 7.524 1.383 -0.617 284 HA ILE 38 HA ILE 38 5.635 3.532 -0.014 285 HB ILE 38 HB ILE 38 5.248 0.556 0.306 286 HG12 ILE 38 1HG1 ILE 38 4.565 2.432 -1.964 287 HG13 ILE 38 2HG1 ILE 38 5.629 1.036 -2.018 288 HG21 ILE 38 1HG2 ILE 38 3.762 1.879 1.709 289 HG22 ILE 38 2HG2 ILE 38 2.863 1.121 0.395 290 HG23 ILE 38 3HG2 ILE 38 3.269 2.836 0.311 291 HD11 ILE 38 3HD1 ILE 38 3.506 0.581 -3.095 292 HD12 ILE 38 1HD1 ILE 38 2.654 0.962 -1.598 293 HD13 ILE 38 2HD1 ILE 38 3.726 -0.436 -1.671 294 H LEU 39 H LEU 39 7.610 1.092 1.642 295 HA LEU 39 HA LEU 39 6.366 1.377 4.154 296 HB2 LEU 39 1HB LEU 39 9.095 0.364 3.421 297 HB3 LEU 39 2HB LEU 39 8.472 0.338 5.060 298 HG LEU 39 HG LEU 39 7.391 -1.162 2.677 299 HD11 LEU 39 1HD1 LEU 39 9.355 -2.148 3.721 300 HD12 LEU 39 2HD1 LEU 39 7.919 -3.125 4.029 301 HD13 LEU 39 3HD1 LEU 39 8.564 -2.082 5.296 302 HD21 LEU 39 3HD2 LEU 39 6.261 -0.988 5.469 303 HD22 LEU 39 1HD2 LEU 39 5.696 -2.062 4.189 304 HD23 LEU 39 2HD2 LEU 39 5.531 -0.315 4.011 305 HA PRO 40 HA PRO 40 9.886 4.564 5.263 306 HB2 PRO 40 1HB PRO 40 10.635 6.161 3.171 307 HB3 PRO 40 2HB PRO 40 11.552 4.746 3.703 308 HG2 PRO 40 1HG PRO 40 9.585 4.992 1.458 309 HG3 PRO 40 2HG PRO 40 11.162 4.178 1.481 310 HD2 PRO 40 1HD PRO 40 8.881 2.796 1.713 311 HD3 PRO 40 2HD PRO 40 10.333 2.337 2.626 312 H ILE 41 H ILE 41 7.144 4.762 3.282 313 HA ILE 41 HA ILE 41 6.708 7.594 3.893 314 HB ILE 41 HB ILE 41 5.092 5.811 2.067 315 HG12 ILE 41 1HG1 ILE 41 7.377 6.088 1.216 316 HG13 ILE 41 2HG1 ILE 41 6.226 6.971 0.219 317 HG21 ILE 41 1HG2 ILE 41 3.833 7.699 2.931 318 HG22 ILE 41 2HG2 ILE 41 4.187 7.927 1.219 319 HG23 ILE 41 3HG2 ILE 41 5.115 8.804 2.434 320 HD11 ILE 41 3HD1 ILE 41 8.031 8.160 2.315 321 HD12 ILE 41 1HD1 ILE 41 6.872 9.052 1.327 322 HD13 ILE 41 2HD1 ILE 41 8.252 8.257 0.568 323 H ILE 42 H ILE 42 4.763 4.568 3.902 324 HA ILE 42 HA ILE 42 3.295 5.730 6.189 325 HB ILE 42 HB ILE 42 1.285 4.578 5.477 326 HG12 ILE 42 1HG1 ILE 42 2.573 3.843 2.870 327 HG13 ILE 42 2HG1 ILE 42 2.720 2.765 4.257 328 HG21 ILE 42 1HG2 ILE 42 2.504 6.223 3.264 329 HG22 ILE 42 2HG2 ILE 42 1.631 6.838 4.668 330 HG23 ILE 42 3HG2 ILE 42 0.785 5.874 3.456 331 HD11 ILE 42 3HD1 ILE 42 0.872 2.119 2.839 332 HD12 ILE 42 1HD1 ILE 42 0.151 3.719 3.025 333 HD13 ILE 42 2HD1 ILE 42 0.299 2.649 4.422 334 H GLY 43 H GLY 43 5.543 3.543 5.677 335 HA2 GLY 43 1HA GLY 43 4.455 1.075 6.501 336 HA3 GLY 43 2HA GLY 43 6.151 1.527 6.591 337 H GLY 44 H GLY 44 5.650 3.829 8.312 338 HA2 GLY 44 1HA GLY 44 5.485 2.329 10.818 339 HA3 GLY 44 2HA GLY 44 6.133 3.951 10.616 340 H LEU 45 H LEU 45 3.215 3.630 8.971 341 HA LEU 45 HA LEU 45 1.835 5.071 11.117 342 HB2 LEU 45 1HB LEU 45 1.099 4.672 8.212 343 HB3 LEU 45 2HB LEU 45 0.183 5.628 9.362 344 HG LEU 45 HG LEU 45 3.037 6.241 8.596 345 HD11 LEU 45 1HD1 LEU 45 1.608 6.410 6.628 346 HD12 LEU 45 2HD1 LEU 45 2.124 8.004 7.177 347 HD13 LEU 45 3HD1 LEU 45 0.488 7.439 7.521 348 HD21 LEU 45 3HD2 LEU 45 2.512 8.442 9.541 349 HD22 LEU 45 1HD2 LEU 45 2.353 7.156 10.739 350 HD23 LEU 45 2HD2 LEU 45 0.912 7.855 9.997 351 H GLU 46 H GLU 46 0.044 4.277 12.112 352 HA GLU 46 HA GLU 46 -0.588 1.518 11.929 353 HB2 GLU 46 1HB GLU 46 -1.848 3.860 13.318 354 HB3 GLU 46 2HB GLU 46 -2.721 2.337 13.220 355 HG2 GLU 46 1HG GLU 46 -1.479 2.593 15.322 356 HG3 GLU 46 2HG GLU 46 -0.955 1.192 14.389 357 H ILE 47 H ILE 47 -2.130 0.480 10.802 358 HA ILE 47 HA ILE 47 -2.780 1.539 8.305 359 HB ILE 47 HB ILE 47 -2.527 -0.879 8.882 360 HG12 ILE 47 1HG1 ILE 47 -5.132 -0.249 7.490 361 HG13 ILE 47 2HG1 ILE 47 -3.549 -0.025 6.754 362 HG21 ILE 47 1HG2 ILE 47 -5.331 -0.565 9.946 363 HG22 ILE 47 2HG2 ILE 47 -3.890 -0.934 10.892 364 HG23 ILE 47 3HG2 ILE 47 -4.489 -2.096 9.709 365 HD11 ILE 47 3HD1 ILE 47 -3.107 -2.405 6.967 366 HD12 ILE 47 1HD1 ILE 47 -4.580 -2.102 6.045 367 HD13 ILE 47 2HD1 ILE 47 -4.684 -2.631 7.724 368 H GLN 48 H GLN 48 -4.494 1.754 11.287 369 HA GLN 48 HA GLN 48 -7.022 2.390 10.000 370 HB2 GLN 48 1HB GLN 48 -6.978 0.965 12.009 371 HB3 GLN 48 2HB GLN 48 -6.278 2.290 12.928 372 HG2 GLN 48 1HG GLN 48 -8.273 3.605 12.619 373 HG3 GLN 48 2HG GLN 48 -8.975 2.346 11.600 374 HE21 GLN 48 2HE2 GLN 48 -10.737 2.067 12.928 375 HE22 GLN 48 1HE2 GLN 48 -10.624 1.313 14.488 376 H ASP 49 H ASP 49 -4.251 3.995 11.120 377 HA ASP 49 HA ASP 49 -5.646 6.575 11.006 378 HB2 ASP 49 1HB ASP 49 -3.705 5.654 13.122 379 HB3 ASP 49 2HB ASP 49 -3.970 7.362 12.790 380 H ILE 50 H ILE 50 -4.847 6.487 8.812 381 HA ILE 50 HA ILE 50 -1.981 7.126 8.625 382 HB ILE 50 HB ILE 50 -3.752 5.728 6.616 383 HG12 ILE 50 1HG1 ILE 50 -1.200 4.925 8.024 384 HG13 ILE 50 2HG1 ILE 50 -2.811 4.314 8.376 385 HG21 ILE 50 1HG2 ILE 50 -2.374 7.355 5.431 386 HG22 ILE 50 2HG2 ILE 50 -1.836 5.709 5.095 387 HG23 ILE 50 3HG2 ILE 50 -0.930 6.720 6.221 388 HD11 ILE 50 3HD1 ILE 50 -1.292 3.910 5.813 389 HD12 ILE 50 1HD1 ILE 50 -2.906 3.292 6.167 390 HD13 ILE 50 2HD1 ILE 50 -1.519 2.720 7.096 391 H GLU 51 H GLU 51 -1.396 8.959 7.695 392 HA GLU 51 HA GLU 51 -3.227 11.042 7.189 393 HB2 GLU 51 1HB GLU 51 -1.063 11.614 7.949 394 HB3 GLU 51 2HB GLU 51 -0.281 10.634 6.724 395 HG2 GLU 51 1HG GLU 51 -0.014 13.019 6.330 396 HG3 GLU 51 2HG GLU 51 -0.874 12.222 5.018 397 HA PRO 52 HA PRO 52 -4.611 9.689 3.150 398 HB2 PRO 52 1HB PRO 52 -5.633 12.211 2.493 399 HB3 PRO 52 2HB PRO 52 -6.517 10.899 3.275 400 HG2 PRO 52 1HG PRO 52 -5.217 13.291 4.480 401 HG3 PRO 52 2HG PRO 52 -6.705 12.454 4.959 402 HD2 PRO 52 1HD PRO 52 -4.429 12.162 6.344 403 HD3 PRO 52 2HD PRO 52 -5.555 10.807 6.117 404 H MET 53 H MET 53 -2.907 12.807 3.562 405 HA MET 53 HA MET 53 -2.152 12.900 0.785 406 HB2 MET 53 1HB MET 53 -1.088 14.489 3.128 407 HB3 MET 53 2HB MET 53 -0.759 14.826 1.434 408 HG2 MET 53 1HG MET 53 -3.224 15.125 1.112 409 HG3 MET 53 2HG MET 53 -3.395 15.018 2.863 410 HE1 MET 53 3HE MET 53 -2.059 16.710 4.535 411 HE2 MET 53 1HE MET 53 -1.169 18.121 3.963 412 HE3 MET 53 2HE MET 53 -0.557 16.500 3.636 413 H GLN 54 H GLN 54 -1.002 11.280 3.509 414 HA GLN 54 HA GLN 54 1.761 11.093 2.690 415 HB2 GLN 54 1HB GLN 54 0.811 10.927 5.091 416 HB3 GLN 54 2HB GLN 54 0.371 9.282 4.659 417 HG2 GLN 54 1HG GLN 54 2.447 9.262 5.842 418 HG3 GLN 54 2HG GLN 54 2.740 8.818 4.160 419 HE21 GLN 54 2HE2 GLN 54 4.903 9.400 4.359 420 HE22 GLN 54 1HE2 GLN 54 5.406 11.052 4.358 421 H LEU 55 H LEU 55 -1.175 9.164 2.557 422 HA LEU 55 HA LEU 55 -0.049 6.884 1.323 423 HB2 LEU 55 1HB LEU 55 -2.317 7.047 2.415 424 HB3 LEU 55 2HB LEU 55 -2.866 7.923 0.999 425 HG LEU 55 HG LEU 55 -2.399 5.959 -0.403 426 HD11 LEU 55 1HD1 LEU 55 -0.570 5.003 0.890 427 HD12 LEU 55 2HD1 LEU 55 -1.852 3.817 0.647 428 HD13 LEU 55 3HD1 LEU 55 -1.683 4.625 2.207 429 HD21 LEU 55 3HD2 LEU 55 -4.622 6.247 0.566 430 HD22 LEU 55 1HD2 LEU 55 -4.117 5.357 2.003 431 HD23 LEU 55 2HD2 LEU 55 -4.200 4.539 0.443 432 H LEU 56 H LEU 56 -1.344 9.920 0.106 433 HA LEU 56 HA LEU 56 -1.119 9.310 -2.649 434 HB2 LEU 56 1HB LEU 56 -2.462 11.184 -1.722 435 HB3 LEU 56 2HB LEU 56 -0.982 12.004 -1.278 436 HG LEU 56 HG LEU 56 -2.247 12.729 -3.423 437 HD11 LEU 56 1HD1 LEU 56 -0.076 13.605 -2.776 438 HD12 LEU 56 2HD1 LEU 56 -0.168 13.351 -4.520 439 HD13 LEU 56 3HD1 LEU 56 0.715 12.208 -3.507 440 HD21 LEU 56 3HD2 LEU 56 -2.531 10.563 -4.433 441 HD22 LEU 56 1HD2 LEU 56 -0.786 10.302 -4.436 442 HD23 LEU 56 2HD2 LEU 56 -1.491 11.561 -5.452 443 H GLU 57 H GLU 57 1.130 10.451 -0.225 444 HA GLU 57 HA GLU 57 3.221 11.184 -1.972 445 HB2 GLU 57 1HB GLU 57 3.059 11.800 0.451 446 HB3 GLU 57 2HB GLU 57 3.485 10.143 0.852 447 HG2 GLU 57 1HG GLU 57 5.655 10.376 0.021 448 HG3 GLU 57 2HG GLU 57 5.247 11.838 -0.878 449 H VAL 58 H VAL 58 2.147 8.106 -0.684 450 HA VAL 58 HA VAL 58 4.314 6.527 -1.588 451 HB VAL 58 HB VAL 58 1.389 5.847 -1.223 452 HG11 VAL 58 1HG1 VAL 58 3.692 4.009 -1.854 453 HG12 VAL 58 2HG1 VAL 58 2.290 4.328 -2.873 454 HG13 VAL 58 3HG1 VAL 58 2.092 3.479 -1.341 455 HG21 VAL 58 3HG2 VAL 58 3.828 5.173 0.422 456 HG22 VAL 58 1HG2 VAL 58 2.168 4.693 0.780 457 HG23 VAL 58 2HG2 VAL 58 2.621 6.397 0.821 458 H ILE 59 H ILE 59 1.182 7.259 -3.118 459 HA ILE 59 HA ILE 59 1.667 6.073 -5.594 460 HB ILE 59 HB ILE 59 -0.087 8.347 -4.736 461 HG12 ILE 59 1HG1 ILE 59 -1.881 6.831 -5.523 462 HG13 ILE 59 2HG1 ILE 59 -0.659 5.642 -5.960 463 HG21 ILE 59 1HG2 ILE 59 0.684 8.994 -6.953 464 HG22 ILE 59 2HG2 ILE 59 -1.019 8.540 -6.978 465 HG23 ILE 59 3HG2 ILE 59 0.200 7.420 -7.586 466 HD11 ILE 59 3HD1 ILE 59 -1.243 6.646 -3.185 467 HD12 ILE 59 1HD1 ILE 59 -0.009 5.462 -3.612 468 HD13 ILE 59 2HD1 ILE 59 -1.715 5.085 -3.854 469 H ARG 60 H ARG 60 2.502 9.296 -4.403 470 HA ARG 60 HA ARG 60 3.575 10.152 -6.919 471 HB2 ARG 60 1HB ARG 60 2.672 11.482 -4.747 472 HB3 ARG 60 2HB ARG 60 4.407 11.573 -4.467 473 HG2 ARG 60 1HG ARG 60 4.746 12.615 -6.610 474 HG3 ARG 60 2HG ARG 60 3.039 12.420 -7.010 475 HD2 ARG 60 1HD ARG 60 2.551 13.818 -4.950 476 HD3 ARG 60 2HD ARG 60 4.274 14.198 -4.925 477 HE ARG 60 HE ARG 60 2.515 14.820 -7.211 478 HH11 ARG 60 1HH1 ARG 60 5.139 15.643 -5.052 479 HH12 ARG 60 2HH1 ARG 60 5.443 17.185 -5.790 480 HH21 ARG 60 1HH2 ARG 60 2.870 16.871 -8.161 481 HH22 ARG 60 2HH2 ARG 60 4.109 17.910 -7.522 482 H ARG 61 H ARG 61 4.797 8.444 -4.178 483 HA ARG 61 HA ARG 61 7.554 8.775 -4.499 484 HB2 ARG 61 1HB ARG 61 6.618 7.528 -2.620 485 HB3 ARG 61 2HB ARG 61 5.975 6.310 -3.709 486 HG2 ARG 61 1HG ARG 61 7.856 5.286 -2.861 487 HG3 ARG 61 2HG ARG 61 8.443 5.947 -4.387 488 HD2 ARG 61 1HD ARG 61 8.818 7.126 -1.637 489 HD3 ARG 61 2HD ARG 61 10.056 6.372 -2.642 490 HE ARG 61 HE ARG 61 9.483 8.264 -4.252 491 HH11 ARG 61 1HH1 ARG 61 9.460 8.519 -0.771 492 HH12 ARG 61 2HH1 ARG 61 9.655 10.247 -0.758 493 HH21 ARG 61 1HH2 ARG 61 9.693 10.561 -4.258 494 HH22 ARG 61 2HH2 ARG 61 9.783 11.395 -2.734 495 H PHE 62 H PHE 62 5.266 6.594 -6.070 496 HA PHE 62 HA PHE 62 7.253 5.505 -7.838 497 HB2 PHE 62 1HB PHE 62 4.242 5.320 -7.830 498 HB3 PHE 62 2HB PHE 62 5.271 4.482 -8.989 499 HD1 PHE 62 HD2 PHE 62 6.864 2.764 -8.197 500 HD2 PHE 62 HD1 PHE 62 3.961 4.512 -5.629 501 HE1 PHE 62 HE2 PHE 62 7.173 0.921 -6.601 502 HE2 PHE 62 HE1 PHE 62 4.268 2.674 -4.024 503 HZ PHE 62 HZ PHE 62 5.874 0.875 -4.510 504 H GLU 63 H GLU 63 5.276 8.314 -7.865 505 HA GLU 63 HA GLU 63 5.226 8.718 -10.678 506 HB2 GLU 63 1HB GLU 63 3.696 9.884 -9.098 507 HB3 GLU 63 2HB GLU 63 5.067 10.801 -8.488 508 HG2 GLU 63 1HG GLU 63 5.370 11.882 -10.598 509 HG3 GLU 63 2HG GLU 63 4.168 10.843 -11.359 510 H ASP 64 H ASP 64 7.425 9.714 -8.081 511 HA ASP 64 HA ASP 64 9.251 11.204 -9.585 512 HB2 ASP 64 1HB ASP 64 9.624 9.431 -7.176 513 HB3 ASP 64 2HB ASP 64 10.984 10.255 -7.923 514 H ARG 65 H ARG 65 8.765 7.765 -9.311 515 HA ARG 65 HA ARG 65 11.236 7.119 -10.686 516 HB2 ARG 65 1HB ARG 65 8.983 5.307 -9.797 517 HB3 ARG 65 2HB ARG 65 10.575 4.793 -10.342 518 HG2 ARG 65 1HG ARG 65 11.596 5.915 -8.432 519 HG3 ARG 65 2HG ARG 65 10.002 6.436 -7.886 520 HD2 ARG 65 1HD ARG 65 10.732 4.490 -6.637 521 HD3 ARG 65 2HD ARG 65 9.333 4.094 -7.631 522 HE ARG 65 HE ARG 65 10.605 2.526 -8.667 523 HH11 ARG 65 1HH1 ARG 65 12.782 4.931 -7.346 524 HH12 ARG 65 2HH1 ARG 65 14.214 4.022 -7.720 525 HH21 ARG 65 1HH2 ARG 65 12.494 1.317 -9.138 526 HH22 ARG 65 2HH2 ARG 65 14.048 1.976 -8.733 527 H GLY 66 H GLY 66 8.341 8.241 -11.687 528 HA2 GLY 66 1HA GLY 66 7.288 8.312 -13.721 529 HA3 GLY 66 2HA GLY 66 8.743 7.595 -14.402 530 H ALA 67 H ALA 67 6.586 6.240 -11.951 531 HA ALA 67 HA ALA 67 5.807 4.173 -13.898 532 HB1 ALA 67 3HB ALA 67 7.520 3.304 -12.352 533 HB2 ALA 67 1HB ALA 67 5.972 2.475 -12.181 534 HB3 ALA 67 2HB ALA 67 6.460 3.683 -10.994 535 H MET 68 H MET 68 3.818 5.179 -14.263 536 HA MET 68 HA MET 68 2.056 5.851 -12.101 537 HB2 MET 68 1HB MET 68 1.604 5.547 -15.068 538 HB3 MET 68 2HB MET 68 0.326 5.992 -13.949 539 HG2 MET 68 1HG MET 68 2.874 7.556 -14.282 540 HG3 MET 68 2HG MET 68 1.395 7.887 -15.179 541 HE1 MET 68 3HE MET 68 3.360 8.363 -11.894 542 HE2 MET 68 1HE MET 68 2.293 7.061 -11.368 543 HE3 MET 68 2HE MET 68 2.109 8.680 -10.692 544 H GLU 69 H GLU 69 2.559 3.101 -14.186 545 HA GLU 69 HA GLU 69 0.303 1.582 -13.537 546 HB2 GLU 69 1HB GLU 69 3.093 0.568 -14.109 547 HB3 GLU 69 2HB GLU 69 1.600 -0.344 -14.271 548 HG2 GLU 69 1HG GLU 69 0.881 1.062 -16.085 549 HG3 GLU 69 2HG GLU 69 2.284 2.110 -15.870 550 H ARG 70 H ARG 70 3.539 1.622 -12.069 551 HA ARG 70 HA ARG 70 2.892 -0.241 -10.027 552 HB2 ARG 70 1HB ARG 70 5.132 1.790 -10.128 553 HB3 ARG 70 2HB ARG 70 5.021 0.454 -8.992 554 HG2 ARG 70 1HG ARG 70 5.091 -1.113 -10.918 555 HG3 ARG 70 2HG ARG 70 5.364 0.273 -11.976 556 HD2 ARG 70 1HD ARG 70 7.387 0.823 -10.648 557 HD3 ARG 70 2HD ARG 70 7.133 -0.650 -9.715 558 HE ARG 70 HE ARG 70 7.334 -0.987 -12.599 559 HH11 ARG 70 1HH1 ARG 70 8.998 -1.055 -9.509 560 HH12 ARG 70 2HH1 ARG 70 10.305 -2.034 -10.091 561 HH21 ARG 70 1HH2 ARG 70 9.062 -2.277 -13.359 562 HH22 ARG 70 2HH2 ARG 70 10.355 -2.706 -12.278 563 H ALA 71 H ALA 71 2.560 3.205 -10.350 564 HA ALA 71 HA ALA 71 2.127 3.797 -7.610 565 HB1 ALA 71 3HB ALA 71 2.673 5.535 -9.243 566 HB2 ALA 71 1HB ALA 71 1.160 5.893 -8.410 567 HB3 ALA 71 2HB ALA 71 1.130 5.259 -10.055 568 H ASN 72 H ASN 72 -0.016 2.991 -10.311 569 HA ASN 72 HA ASN 72 -2.438 3.080 -8.870 570 HB2 ASN 72 1HB ASN 72 -1.595 1.607 -11.364 571 HB3 ASN 72 2HB ASN 72 -3.201 1.397 -10.677 572 HD21 ASN 72 2HD2 ASN 72 -2.406 2.513 -13.240 573 HD22 ASN 72 1HD2 ASN 72 -3.053 4.120 -13.278 574 H LYS 73 H LYS 73 -0.132 0.450 -9.487 575 HA LYS 73 HA LYS 73 -1.532 -1.534 -8.054 576 HB2 LYS 73 1HB LYS 73 1.238 -1.231 -9.060 577 HB3 LYS 73 2HB LYS 73 1.011 -2.369 -7.739 578 HG2 LYS 73 1HG LYS 73 0.802 -3.684 -9.637 579 HG3 LYS 73 2HG LYS 73 -0.868 -3.361 -9.178 580 HD2 LYS 73 1HD LYS 73 -0.900 -1.509 -10.836 581 HD3 LYS 73 2HD LYS 73 0.714 -1.996 -11.352 582 HE2 LYS 73 1HE LYS 73 -1.839 -3.581 -11.542 583 HE3 LYS 73 2HE LYS 73 -0.857 -2.965 -12.868 584 HZ1 LYS 73 3HZ LYS 73 -0.148 -5.138 -10.972 585 HZ2 LYS 73 1HZ LYS 73 0.946 -4.469 -12.080 586 HZ3 LYS 73 2HZ LYS 73 -0.431 -5.283 -12.633 587 H ALA 74 H ALA 74 0.737 0.961 -7.035 588 HA ALA 74 HA ALA 74 1.118 0.117 -4.387 589 HB1 ALA 74 3HB ALA 74 1.703 2.419 -3.883 590 HB2 ALA 74 1HB ALA 74 0.970 2.961 -5.394 591 HB3 ALA 74 2HB ALA 74 2.408 1.936 -5.425 592 H ARG 75 H ARG 75 -1.240 2.448 -5.694 593 HA ARG 75 HA ARG 75 -2.755 2.870 -3.409 594 HB2 ARG 75 1HB ARG 75 -3.039 4.104 -5.536 595 HB3 ARG 75 2HB ARG 75 -3.770 2.676 -6.253 596 HG2 ARG 75 1HG ARG 75 -5.432 2.870 -4.254 597 HG3 ARG 75 2HG ARG 75 -4.868 4.541 -4.204 598 HD2 ARG 75 1HD ARG 75 -6.066 3.145 -6.595 599 HD3 ARG 75 2HD ARG 75 -6.885 4.310 -5.561 600 HE ARG 75 HE ARG 75 -5.495 6.025 -6.444 601 HH11 ARG 75 1HH1 ARG 75 -5.126 2.936 -8.054 602 HH12 ARG 75 2HH1 ARG 75 -4.468 3.628 -9.502 603 HH21 ARG 75 1HH2 ARG 75 -4.660 6.931 -8.370 604 HH22 ARG 75 2HH2 ARG 75 -4.195 5.889 -9.679 605 H ARG 76 H ARG 76 -3.145 0.359 -5.892 606 HA ARG 76 HA ARG 76 -5.447 -0.846 -4.865 607 HB2 ARG 76 1HB ARG 76 -4.733 -1.413 -7.081 608 HB3 ARG 76 2HB ARG 76 -3.185 -2.010 -6.490 609 HG2 ARG 76 1HG ARG 76 -4.439 -3.762 -5.229 610 HG3 ARG 76 2HG ARG 76 -5.898 -3.228 -6.059 611 HD2 ARG 76 1HD ARG 76 -5.052 -3.889 -8.166 612 HD3 ARG 76 2HD ARG 76 -3.422 -4.105 -7.520 613 HE ARG 76 HE ARG 76 -4.517 -5.924 -6.100 614 HH11 ARG 76 1HH1 ARG 76 -5.547 -5.097 -9.354 615 HH12 ARG 76 2HH1 ARG 76 -6.205 -6.668 -9.674 616 HH21 ARG 76 1HH2 ARG 76 -5.361 -7.968 -6.523 617 HH22 ARG 76 2HH2 ARG 76 -6.111 -8.317 -8.052 618 H ARG 77 H ARG 77 -2.042 -1.775 -4.378 619 HA ARG 77 HA ARG 77 -2.544 -3.970 -2.725 620 HB2 ARG 77 1HB ARG 77 -0.151 -2.171 -3.009 621 HB3 ARG 77 2HB ARG 77 -0.160 -3.543 -1.908 622 HG2 ARG 77 1HG ARG 77 -0.462 -5.079 -3.706 623 HG3 ARG 77 2HG ARG 77 -0.726 -3.763 -4.853 624 HD2 ARG 77 1HD ARG 77 1.828 -4.244 -3.329 625 HD3 ARG 77 2HD ARG 77 1.540 -4.734 -4.999 626 HE ARG 77 HE ARG 77 0.988 -2.061 -4.964 627 HH11 ARG 77 1HH1 ARG 77 3.754 -4.004 -4.060 628 HH12 ARG 77 2HH1 ARG 77 4.914 -2.788 -4.485 629 HH21 ARG 77 1HH2 ARG 77 2.518 -0.443 -5.525 630 HH22 ARG 77 2HH2 ARG 77 4.212 -0.765 -5.325 631 H CYS 78 H CYS 78 -2.039 -0.559 -1.903 632 HA CYS 78 HA CYS 78 -2.092 -0.857 0.883 633 HB2 CYS 78 1HB CYS 78 -3.117 1.453 -0.781 634 HB3 CYS 78 2HB CYS 78 -2.778 1.509 0.946 635 HG CYS 78 HG CYS 78 -0.563 1.290 -1.630 636 H GLY 79 H GLY 79 -4.736 -0.226 -1.426 637 HA2 GLY 79 1HA GLY 79 -6.867 -0.286 0.391 638 HA3 GLY 79 2HA GLY 79 -6.983 -0.692 -1.315 639 H GLU 80 H GLU 80 -5.242 -2.950 -1.304 640 HA GLU 80 HA GLU 80 -6.951 -5.014 -0.464 641 HB2 GLU 80 1HB GLU 80 -4.023 -5.000 -1.181 642 HB3 GLU 80 2HB GLU 80 -4.862 -6.474 -0.720 643 HG2 GLU 80 1HG GLU 80 -6.474 -6.020 -2.589 644 HG3 GLU 80 2HG GLU 80 -5.395 -4.724 -3.104 645 H VAL 81 H VAL 81 -3.936 -3.800 0.995 646 HA VAL 81 HA VAL 81 -3.972 -5.475 3.252 647 HB VAL 81 HB VAL 81 -2.816 -2.681 3.083 648 HG11 VAL 81 1HG1 VAL 81 -1.307 -3.429 4.849 649 HG12 VAL 81 2HG1 VAL 81 -2.130 -4.987 4.900 650 HG13 VAL 81 3HG1 VAL 81 -2.989 -3.519 5.368 651 HG21 VAL 81 3HG2 VAL 81 -0.716 -3.767 2.475 652 HG22 VAL 81 1HG2 VAL 81 -1.972 -4.107 1.286 653 HG23 VAL 81 2HG2 VAL 81 -1.521 -5.337 2.467 654 H PHE 82 H PHE 82 -5.296 -2.215 2.744 655 HA PHE 82 HA PHE 82 -6.322 -1.744 5.287 656 HB2 PHE 82 1HB PHE 82 -7.323 -0.908 2.568 657 HB3 PHE 82 2HB PHE 82 -8.117 -0.396 4.051 658 HD1 PHE 82 HD2 PHE 82 -5.947 0.252 5.829 659 HD2 PHE 82 HD1 PHE 82 -6.280 0.913 1.642 660 HE1 PHE 82 HE2 PHE 82 -4.390 2.148 6.007 661 HE2 PHE 82 HE1 PHE 82 -4.726 2.810 1.812 662 HZ PHE 82 HZ PHE 82 -3.777 3.430 3.997 663 H ARG 83 H ARG 83 -7.946 -3.270 2.509 664 HA ARG 83 HA ARG 83 -10.363 -3.819 3.842 665 HB2 ARG 83 1HB ARG 83 -10.144 -3.815 1.396 666 HB3 ARG 83 2HB ARG 83 -9.120 -5.241 1.480 667 HG2 ARG 83 1HG ARG 83 -10.947 -6.566 2.309 668 HG3 ARG 83 2HG ARG 83 -11.983 -5.141 2.405 669 HD2 ARG 83 1HD ARG 83 -10.794 -6.291 -0.118 670 HD3 ARG 83 2HD ARG 83 -12.464 -6.487 0.413 671 HE ARG 83 HE ARG 83 -11.247 -3.901 -0.351 672 HH11 ARG 83 1HH1 ARG 83 -13.984 -6.075 -0.151 673 HH12 ARG 83 2HH1 ARG 83 -15.092 -4.960 -0.898 674 HH21 ARG 83 1HH2 ARG 83 -12.693 -2.434 -1.357 675 HH22 ARG 83 2HH2 ARG 83 -14.362 -2.884 -1.562 676 H TYR 84 H TYR 84 -7.438 -5.740 3.373 677 HA TYR 84 HA TYR 84 -8.275 -8.138 4.527 678 HB2 TYR 84 1HB TYR 84 -6.165 -7.892 3.307 679 HB3 TYR 84 2HB TYR 84 -5.541 -6.838 4.567 680 HD1 TYR 84 HD2 TYR 84 -6.940 -10.286 4.177 681 HD2 TYR 84 HD1 TYR 84 -4.144 -7.760 6.148 682 HE1 TYR 84 HE2 TYR 84 -5.988 -12.243 5.322 683 HE2 TYR 84 HE1 TYR 84 -3.180 -9.709 7.296 684 HH TYR 84 HH TYR 84 -3.756 -11.952 7.930 685 H ALA 85 H ALA 85 -6.873 -5.245 6.007 686 HA ALA 85 HA ALA 85 -6.845 -6.274 8.651 687 HB1 ALA 85 3HB ALA 85 -6.434 -3.978 9.343 688 HB2 ALA 85 1HB ALA 85 -6.853 -3.407 7.728 689 HB3 ALA 85 2HB ALA 85 -5.426 -4.416 7.964 690 H ILE 86 H ILE 86 -9.242 -4.514 6.761 691 HA ILE 86 HA ILE 86 -11.006 -3.896 8.863 692 HB ILE 86 HB ILE 86 -11.612 -4.435 5.950 693 HG12 ILE 86 1HG1 ILE 86 -11.318 -1.848 7.495 694 HG13 ILE 86 2HG1 ILE 86 -10.123 -2.515 6.387 695 HG21 ILE 86 1HG2 ILE 86 -13.622 -4.779 7.264 696 HG22 ILE 86 2HG2 ILE 86 -13.745 -3.271 6.356 697 HG23 ILE 86 3HG2 ILE 86 -13.379 -3.234 8.081 698 HD11 ILE 86 3HD1 ILE 86 -11.412 -0.723 5.364 699 HD12 ILE 86 1HD1 ILE 86 -12.900 -1.628 5.642 700 HD13 ILE 86 2HD1 ILE 86 -11.678 -2.259 4.539 701 H VAL 87 H VAL 87 -10.777 -6.744 6.765 702 HA VAL 87 HA VAL 87 -13.054 -8.072 7.766 703 HB VAL 87 HB VAL 87 -10.584 -9.317 6.545 704 HG11 VAL 87 1HG1 VAL 87 -12.094 -11.145 5.914 705 HG12 VAL 87 2HG1 VAL 87 -13.409 -10.354 6.783 706 HG13 VAL 87 3HG1 VAL 87 -12.004 -10.952 7.664 707 HG21 VAL 87 3HG2 VAL 87 -11.809 -9.197 4.429 708 HG22 VAL 87 1HG2 VAL 87 -11.520 -7.594 5.105 709 HG23 VAL 87 2HG2 VAL 87 -13.116 -8.332 5.237 710 H THR 88 H THR 88 -9.646 -8.188 8.735 711 HA THR 88 HA THR 88 -10.149 -10.213 10.724 712 HB THR 88 HB THR 88 -8.000 -10.214 9.609 713 HG1 THR 88 HG1 THR 88 -8.237 -10.659 12.023 714 HG21 THR 88 3HG2 THR 88 -7.582 -7.492 10.833 715 HG22 THR 88 1HG2 THR 88 -7.793 -7.847 9.118 716 HG23 THR 88 2HG2 THR 88 -6.361 -8.427 9.969 717 H GLY 89 H GLY 89 -10.586 -6.873 10.610 718 HA2 GLY 89 1HA GLY 89 -11.657 -5.644 12.289 719 HA3 GLY 89 2HA GLY 89 -11.238 -6.897 13.444 720 H ARG 90 H ARG 90 -8.755 -5.566 11.417 721 HA ARG 90 HA ARG 90 -7.632 -4.201 13.772 722 HB2 ARG 90 1HB ARG 90 -6.233 -4.970 11.200 723 HB3 ARG 90 2HB ARG 90 -5.475 -4.346 12.660 724 HG2 ARG 90 1HG ARG 90 -6.094 -6.345 13.875 725 HG3 ARG 90 2HG ARG 90 -6.948 -6.964 12.461 726 HD2 ARG 90 1HD ARG 90 -4.569 -6.564 11.340 727 HD3 ARG 90 2HD ARG 90 -4.037 -6.793 13.007 728 HE ARG 90 HE ARG 90 -5.828 -8.841 12.409 729 HH11 ARG 90 1HH1 ARG 90 -2.613 -7.810 11.469 730 HH12 ARG 90 2HH1 ARG 90 -2.134 -9.393 10.926 731 HH21 ARG 90 1HH2 ARG 90 -5.203 -10.899 11.663 732 HH22 ARG 90 2HH2 ARG 90 -3.610 -11.129 10.999 733 H ALA 91 H ALA 91 -9.330 -3.626 11.011 734 HA ALA 91 HA ALA 91 -8.928 -0.765 11.267 735 HB1 ALA 91 3HB ALA 91 -7.338 -1.362 9.499 736 HB2 ALA 91 1HB ALA 91 -8.680 -0.419 8.850 737 HB3 ALA 91 2HB ALA 91 -8.627 -2.165 8.604 738 H LYS 92 H LYS 92 -10.701 0.397 10.017 739 HA LYS 92 HA LYS 92 -13.039 -1.324 9.613 740 HB2 LYS 92 1HB LYS 92 -13.074 1.182 11.308 741 HB3 LYS 92 2HB LYS 92 -14.462 0.168 10.933 742 HG2 LYS 92 1HG LYS 92 -13.358 -1.709 12.097 743 HG3 LYS 92 2HG LYS 92 -12.042 -0.624 12.539 744 HD2 LYS 92 1HD LYS 92 -13.661 0.789 13.752 745 HD3 LYS 92 2HD LYS 92 -14.933 -0.372 13.359 746 HE2 LYS 92 1HE LYS 92 -12.438 -0.948 14.958 747 HE3 LYS 92 2HE LYS 92 -14.060 -0.738 15.614 748 HZ1 LYS 92 3HZ LYS 92 -13.254 -3.101 15.275 749 HZ2 LYS 92 1HZ LYS 92 -13.438 -2.835 13.611 750 HZ3 LYS 92 2HZ LYS 92 -14.782 -2.730 14.642 751 H TYR 93 H TYR 93 -11.763 1.984 9.332 752 HA TYR 93 HA TYR 93 -13.180 2.164 6.754 753 HB2 TYR 93 1HB TYR 93 -14.040 3.848 8.260 754 HB3 TYR 93 2HB TYR 93 -12.414 4.366 8.684 755 HD1 TYR 93 HD1 TYR 93 -14.756 4.148 5.787 756 HD2 TYR 93 HD2 TYR 93 -11.412 6.122 7.526 757 HE1 TYR 93 HE1 TYR 93 -14.822 5.832 3.994 758 HE2 TYR 93 HE2 TYR 93 -11.469 7.808 5.740 759 HH TYR 93 HH TYR 93 -12.259 8.077 3.489 760 H ASN 94 H ASN 94 -11.943 2.295 4.991 761 HA ASN 94 HA ASN 94 -9.080 2.737 5.388 762 HB2 ASN 94 1HB ASN 94 -8.844 1.783 3.063 763 HB3 ASN 94 2HB ASN 94 -9.407 0.671 4.294 764 HD21 ASN 94 2HD2 ASN 94 -11.390 3.074 2.592 765 HD22 ASN 94 1HD2 ASN 94 -12.369 1.909 1.766 766 HA PRO 95 HA PRO 95 -9.422 6.741 3.565 767 HB2 PRO 95 1HB PRO 95 -6.527 6.703 3.233 768 HB3 PRO 95 2HB PRO 95 -7.505 7.652 4.354 769 HG2 PRO 95 1HG PRO 95 -5.871 5.645 5.163 770 HG3 PRO 95 2HG PRO 95 -7.363 6.077 6.017 771 HD2 PRO 95 1HD PRO 95 -6.861 3.840 4.086 772 HD3 PRO 95 2HD PRO 95 -7.780 3.830 5.608 773 H ALA 96 H ALA 96 -9.713 4.468 1.748 774 HA ALA 96 HA ALA 96 -8.022 4.818 -0.506 775 HB1 ALA 96 3HB ALA 96 -10.753 3.545 -0.391 776 HB2 ALA 96 1HB ALA 96 -9.219 2.724 -0.093 777 HB3 ALA 96 2HB ALA 96 -9.575 3.376 -1.693 778 HA PRO 97 HA PRO 97 -11.639 7.555 -2.270 779 HB2 PRO 97 1HB PRO 97 -13.284 8.666 -0.387 780 HB3 PRO 97 2HB PRO 97 -13.683 7.206 -1.299 781 HG2 PRO 97 1HG PRO 97 -12.586 7.471 1.470 782 HG3 PRO 97 2HG PRO 97 -13.840 6.375 0.862 783 HD2 PRO 97 1HD PRO 97 -11.311 5.555 1.286 784 HD3 PRO 97 2HD PRO 97 -12.298 4.909 -0.041 785 H ASP 98 H ASP 98 -10.297 8.105 0.925 786 HA ASP 98 HA ASP 98 -9.998 10.914 0.739 787 HB2 ASP 98 1HB ASP 98 -8.352 8.937 2.338 788 HB3 ASP 98 2HB ASP 98 -8.428 10.676 2.609 789 H LEU 99 H LEU 99 -7.910 8.188 -0.048 790 HA LEU 99 HA LEU 99 -5.621 9.501 -0.885 791 HB2 LEU 99 1HB LEU 99 -5.875 7.056 -0.670 792 HB3 LEU 99 2HB LEU 99 -6.931 7.037 -2.062 793 HG LEU 99 HG LEU 99 -4.519 6.251 -2.376 794 HD11 LEU 99 1HD1 LEU 99 -5.599 8.396 -4.194 795 HD12 LEU 99 2HD1 LEU 99 -5.993 6.678 -4.253 796 HD13 LEU 99 3HD1 LEU 99 -4.354 7.219 -4.613 797 HD21 LEU 99 3HD2 LEU 99 -2.878 7.995 -2.843 798 HD22 LEU 99 1HD2 LEU 99 -3.416 8.038 -1.165 799 HD23 LEU 99 2HD2 LEU 99 -4.032 9.221 -2.318 800 H ALA 100 H ALA 100 -8.581 8.783 -2.690 801 HA ALA 100 HA ALA 100 -7.726 9.847 -5.155 802 HB1 ALA 100 3HB ALA 100 -10.065 9.763 -5.805 803 HB2 ALA 100 1HB ALA 100 -10.542 9.542 -4.123 804 HB3 ALA 100 2HB ALA 100 -9.607 8.293 -4.945 805 H ASP 101 H ASP 101 -9.526 11.297 -2.448 806 HA ASP 101 HA ASP 101 -9.997 13.753 -3.822 807 HB2 ASP 101 1HB ASP 101 -11.354 12.900 -1.869 808 HB3 ASP 101 2HB ASP 101 -10.009 13.358 -0.828 809 H ALA 102 H ALA 102 -7.546 12.612 -1.576 810 HA ALA 102 HA ALA 102 -6.181 15.058 -1.236 811 HB1 ALA 102 3HB ALA 102 -5.805 13.119 0.215 812 HB2 ALA 102 1HB ALA 102 -4.295 13.700 -0.488 813 HB3 ALA 102 2HB ALA 102 -5.069 12.253 -1.133 814 H MET 103 H MET 103 -5.822 12.429 -3.577 815 HA MET 103 HA MET 103 -3.639 13.425 -5.007 816 HB2 MET 103 1HB MET 103 -4.597 11.150 -5.269 817 HB3 MET 103 2HB MET 103 -5.992 11.849 -6.076 818 HG2 MET 103 1HG MET 103 -4.517 12.681 -7.859 819 HG3 MET 103 2HG MET 103 -3.146 11.922 -7.051 820 HE1 MET 103 3HE MET 103 -3.757 8.149 -7.482 821 HE2 MET 103 1HE MET 103 -4.105 9.147 -6.068 822 HE3 MET 103 2HE MET 103 -2.634 9.421 -7.000 823 H LYS 104 H LYS 104 -7.075 14.128 -5.253 824 HA LYS 104 HA LYS 104 -6.965 15.778 -7.543 825 HB2 LYS 104 1HB LYS 104 -8.906 15.720 -5.233 826 HB3 LYS 104 2HB LYS 104 -9.144 16.677 -6.687 827 HG2 LYS 104 1HG LYS 104 -9.379 14.748 -8.029 828 HG3 LYS 104 2HG LYS 104 -8.801 13.695 -6.736 829 HD2 LYS 104 1HD LYS 104 -10.772 14.143 -5.426 830 HD3 LYS 104 2HD LYS 104 -11.324 15.339 -6.598 831 HE2 LYS 104 1HE LYS 104 -10.935 12.408 -7.189 832 HE3 LYS 104 2HE LYS 104 -12.482 13.152 -6.784 833 HZ1 LYS 104 3HZ LYS 104 -12.326 12.982 -9.140 834 HZ2 LYS 104 1HZ LYS 104 -10.799 13.715 -9.165 835 HZ3 LYS 104 2HZ LYS 104 -12.166 14.623 -8.739 836 H GLY 105 H GLY 105 -7.142 16.614 -4.103 837 HA2 GLY 105 1HA GLY 105 -6.957 19.406 -4.477 838 HA3 GLY 105 2HA GLY 105 -6.657 18.554 -2.970 839 H TYR 106 H TYR 106 -4.518 16.935 -4.106 840 HA TYR 106 HA TYR 106 -2.317 18.587 -3.507 841 HB2 TYR 106 1HB TYR 106 -2.672 15.942 -3.582 842 HB3 TYR 106 2HB TYR 106 -1.943 16.141 -5.170 843 HD1 TYR 106 HD2 TYR 106 -1.405 16.344 -1.560 844 HD2 TYR 106 HD1 TYR 106 0.400 16.790 -5.387 845 HE1 TYR 106 HE2 TYR 106 0.816 16.304 -0.509 846 HE2 TYR 106 HE1 TYR 106 2.628 16.745 -4.346 847 HH TYR 106 HH TYR 106 3.121 15.773 -1.117 848 H ARG 107 H ARG 107 -3.944 17.797 -6.489 849 HA ARG 107 HA ARG 107 -1.790 18.945 -8.082 850 HB2 ARG 107 1HB ARG 107 -4.350 17.593 -8.948 851 HB3 ARG 107 2HB ARG 107 -3.056 18.117 -10.021 852 HG2 ARG 107 1HG ARG 107 -1.517 16.601 -8.770 853 HG3 ARG 107 2HG ARG 107 -2.925 15.982 -7.908 854 HD2 ARG 107 1HD ARG 107 -3.903 15.249 -10.012 855 HD3 ARG 107 2HD ARG 107 -2.527 15.912 -10.896 856 HE ARG 107 HE ARG 107 -2.637 13.417 -9.497 857 HH11 ARG 107 1HH1 ARG 107 -0.498 15.998 -10.483 858 HH12 ARG 107 2HH1 ARG 107 0.924 15.003 -10.506 859 HH21 ARG 107 1HH2 ARG 107 -0.769 12.081 -9.518 860 HH22 ARG 107 2HH2 ARG 107 0.772 12.766 -9.971 861 H LYS 108 H LYS 108 -4.421 20.084 -6.474 862 HA LYS 108 HA LYS 108 -5.078 22.193 -8.356 863 HB2 LYS 108 1HB LYS 108 -5.803 21.823 -5.440 864 HB3 LYS 108 2HB LYS 108 -6.412 23.113 -6.468 865 HG2 LYS 108 1HG LYS 108 -7.497 21.476 -7.903 866 HG3 LYS 108 2HG LYS 108 -6.865 20.168 -6.900 867 HD2 LYS 108 1HD LYS 108 -8.130 20.980 -4.996 868 HD3 LYS 108 2HD LYS 108 -8.707 22.355 -5.938 869 HE2 LYS 108 1HE LYS 108 -9.282 19.447 -6.491 870 HE3 LYS 108 2HE LYS 108 -10.407 20.616 -5.801 871 HZ1 LYS 108 3HZ LYS 108 -10.907 20.444 -8.090 872 HZ2 LYS 108 1HZ LYS 108 -9.279 20.593 -8.544 873 HZ3 LYS 108 2HZ LYS 108 -10.102 21.925 -7.896 874 H LYS 109 H LYS 109 -2.786 21.467 -6.018 875 HA LYS 109 HA LYS 109 -1.066 22.513 -5.038 876 HB2 LYS 109 1HB LYS 109 -0.465 22.846 -7.418 877 HB3 LYS 109 2HB LYS 109 -1.256 24.416 -7.374 878 HG2 LYS 109 1HG LYS 109 0.328 25.223 -5.748 879 HG3 LYS 109 2HG LYS 109 1.066 23.625 -5.626 880 HD2 LYS 109 1HD LYS 109 1.797 23.756 -7.936 881 HD3 LYS 109 2HD LYS 109 0.989 25.315 -8.124 882 HE2 LYS 109 1HE LYS 109 2.460 26.306 -6.468 883 HE3 LYS 109 2HE LYS 109 3.236 24.747 -6.195 884 HZ1 LYS 109 3HZ LYS 109 3.223 26.152 -8.807 885 HZ2 LYS 109 1HZ LYS 109 4.113 24.771 -8.395 886 HZ3 LYS 109 2HZ LYS 109 4.485 26.267 -7.685 887 H ASN 110 H ASN 110 -2.836 23.080 -3.442 888 HA ASN 110 HA ASN 110 -2.883 25.976 -3.031 889 HB2 ASN 110 1HB ASN 110 -4.192 23.682 -1.555 890 HB3 ASN 110 2HB ASN 110 -4.147 25.314 -0.899 891 HD21 ASN 110 2HD2 ASN 110 -6.441 23.705 -1.676 892 HD22 ASN 110 1HD2 ASN 110 -7.289 24.626 -2.872 893 H LEU 111 H LEU 111 -2.047 23.052 -1.208 894 HA LEU 111 HA LEU 111 -0.243 22.447 0.013 895 HB2 LEU 111 1HB LEU 111 1.099 23.371 -1.819 896 HB3 LEU 111 2HB LEU 111 1.017 24.959 -1.085 897 HG LEU 111 HG LEU 111 2.259 24.068 0.880 898 HD11 LEU 111 1HD1 LEU 111 2.575 21.618 -0.849 899 HD12 LEU 111 2HD1 LEU 111 1.644 21.717 0.645 900 HD13 LEU 111 3HD1 LEU 111 3.395 21.921 0.683 901 HD21 LEU 111 3HD2 LEU 111 3.414 25.258 -0.904 902 HD22 LEU 111 1HD2 LEU 111 3.617 23.749 -1.793 903 HD23 LEU 111 2HD2 LEU 111 4.430 23.976 -0.245 904 H GLU 112 H GLU 112 -0.204 25.990 0.249 905 HA GLU 112 HA GLU 112 -0.282 25.696 3.173 906 HB2 GLU 112 1HB GLU 112 1.685 26.845 1.808 907 HB3 GLU 112 2HB GLU 112 0.592 28.220 1.826 908 HG2 GLU 112 1HG GLU 112 1.104 26.871 4.406 909 HG3 GLU 112 2HG GLU 112 2.423 27.805 3.702 910 H HIS 113 H HIS 113 -1.586 27.290 4.331 911 HA HIS 113 HA HIS 113 -4.138 27.387 3.000 912 HB2 HIS 113 1HB HIS 113 -3.345 28.132 5.820 913 HB3 HIS 113 2HB HIS 113 -5.003 28.094 5.218 914 HD1 HIS 113 HD1 HIS 113 -2.306 25.944 6.517 915 HD2 HIS 113 HD2 HIS 113 -5.943 25.452 4.558 916 HE1 HIS 113 HE1 HIS 113 -2.877 23.504 6.743 917 HE2 HIS 113 HE2 HIS 113 -4.948 23.193 5.344 918 H HIS 114 H HIS 114 -1.607 29.630 3.641 919 HA HIS 114 HA HIS 114 -3.182 31.990 3.247 920 HB2 HIS 114 1HB HIS 114 -0.222 31.461 2.960 921 HB3 HIS 114 2HB HIS 114 -0.941 33.037 2.658 922 HD1 HIS 114 HD1 HIS 114 0.328 30.882 5.317 923 HD2 HIS 114 HD2 HIS 114 -2.110 34.236 5.022 924 HE1 HIS 114 HE1 HIS 114 0.221 31.850 7.640 925 HE2 HIS 114 HE2 HIS 114 -1.421 33.759 7.470 926 H HIS 115 H HIS 115 -2.049 29.510 1.218 927 HA HIS 115 HA HIS 115 -2.429 31.163 -1.181 928 HB2 HIS 115 1HB HIS 115 -0.238 29.979 -0.959 929 HB3 HIS 115 2HB HIS 115 -1.104 28.447 -0.971 930 HD1 HIS 115 HD1 HIS 115 -0.163 31.324 -3.201 931 HD2 HIS 115 HD2 HIS 115 -1.877 27.542 -3.482 932 HE1 HIS 115 HE1 HIS 115 -0.238 30.790 -5.661 933 HE2 HIS 115 HE2 HIS 115 -1.381 28.546 -5.814 934 H HIS 116 H HIS 116 -4.759 30.912 -0.515 935 HA HIS 116 HA HIS 116 -5.966 28.378 -1.242 936 HB2 HIS 116 1HB HIS 116 -6.913 29.835 0.563 937 HB3 HIS 116 2HB HIS 116 -7.288 31.044 -0.658 938 HD1 HIS 116 HD1 HIS 116 -8.120 27.373 0.014 939 HD2 HIS 116 HD2 HIS 116 -9.809 30.825 -1.589 940 HE1 HIS 116 HE1 HIS 116 -10.485 26.763 -0.579 941 HE2 HIS 116 HE2 HIS 116 -11.473 28.840 -1.606 942 H HIS 117 H HIS 117 -6.200 27.840 -3.291 943 HA HIS 117 HA HIS 117 -5.320 29.220 -5.446 944 HB2 HIS 117 1HB HIS 117 -6.066 26.775 -5.279 945 HB3 HIS 117 2HB HIS 117 -7.674 27.356 -5.690 946 HD1 HIS 117 HD1 HIS 117 -4.752 26.019 -7.216 947 HD2 HIS 117 HD2 HIS 117 -7.538 28.914 -8.283 948 HE1 HIS 117 HE1 HIS 117 -4.521 26.297 -9.704 949 HE2 HIS 117 HE2 HIS 117 -6.072 28.194 -10.290 950 H HIS 118 H HIS 118 -8.794 28.959 -4.644 951 HA HIS 118 HA HIS 118 -9.144 31.675 -5.664 952 HB2 HIS 118 1HB HIS 118 -9.699 30.173 -7.545 953 HB3 HIS 118 2HB HIS 118 -10.869 29.339 -6.528 954 HD1 HIS 118 HD1 HIS 118 -13.187 30.265 -6.477 955 HD2 HIS 118 HD2 HIS 118 -10.444 32.939 -8.105 956 HE1 HIS 118 HE1 HIS 118 -14.555 32.178 -7.385 957 HE2 HIS 118 HE2 HIS 118 -12.879 33.772 -8.390 Start of MODEL 5 1 H1 SER 1 1H SER 1 8.418 2.125 18.892 2 H2 SER 1 2H SER 1 8.759 1.901 20.538 3 H3 SER 1 3H SER 1 7.247 2.508 20.059 4 HA SER 1 HA SER 1 8.305 -0.206 19.548 5 HB2 SER 1 1HB SER 1 5.979 0.761 21.233 6 HB3 SER 1 2HB SER 1 6.465 -0.920 21.011 7 HG SER 1 HG SER 1 8.457 -0.408 22.011 8 H SER 2 H SER 2 6.624 -1.641 18.614 9 HA SER 2 HA SER 2 5.213 -0.183 16.492 10 HB2 SER 2 1HB SER 2 5.970 -3.111 16.658 11 HB3 SER 2 2HB SER 2 5.281 -2.291 15.253 12 HG SER 2 HG SER 2 7.766 -1.609 16.468 13 H ASN 3 H ASN 3 3.091 -0.911 15.850 14 HA ASN 3 HA ASN 3 1.542 -2.085 18.059 15 HB2 ASN 3 1HB ASN 3 0.851 0.160 17.071 16 HB3 ASN 3 2HB ASN 3 0.481 -0.693 15.579 17 HD21 ASN 3 2HD2 ASN 3 -1.380 0.817 17.055 18 HD22 ASN 3 1HD2 ASN 3 -2.598 -0.268 17.646 19 H ASN 4 H ASN 4 0.273 -3.918 17.678 20 HA ASN 4 HA ASN 4 1.150 -5.788 15.780 21 HB2 ASN 4 1HB ASN 4 -1.459 -5.687 17.312 22 HB3 ASN 4 2HB ASN 4 -0.882 -7.085 16.412 23 HD21 ASN 4 2HD2 ASN 4 -1.496 -6.881 19.227 24 HD22 ASN 4 1HD2 ASN 4 -0.043 -7.272 20.078 25 H ASN 5 H ASN 5 -1.019 -3.163 15.525 26 HA ASN 5 HA ASN 5 -2.104 -4.206 12.999 27 HB2 ASN 5 1HB ASN 5 -3.205 -2.164 14.933 28 HB3 ASN 5 2HB ASN 5 -3.859 -2.395 13.315 29 HD21 ASN 5 2HD2 ASN 5 -5.857 -3.025 14.151 30 HD22 ASN 5 1HD2 ASN 5 -6.097 -4.580 14.881 31 H SER 6 H SER 6 0.512 -2.718 13.593 32 HA SER 6 HA SER 6 0.299 -0.271 12.141 33 HB2 SER 6 1HB SER 6 2.699 -2.030 12.708 34 HB3 SER 6 2HB SER 6 2.787 -0.430 11.970 35 HG SER 6 HG SER 6 1.867 0.424 13.872 36 H PHE 7 H PHE 7 1.268 0.110 9.992 37 HA PHE 7 HA PHE 7 -0.079 -1.490 8.142 38 HB2 PHE 7 1HB PHE 7 0.648 0.944 7.881 39 HB3 PHE 7 2HB PHE 7 2.219 0.310 7.398 40 HD1 PHE 7 HD1 PHE 7 -1.301 0.652 6.480 41 HD2 PHE 7 HD2 PHE 7 2.503 -0.821 5.273 42 HE1 PHE 7 HE1 PHE 7 -2.143 0.375 4.185 43 HE2 PHE 7 HE2 PHE 7 1.666 -1.102 2.978 44 HZ PHE 7 HZ PHE 7 -0.657 -0.503 2.428 45 H SER 8 H SER 8 3.445 -1.309 8.764 46 HA SER 8 HA SER 8 4.257 -3.139 6.843 47 HB2 SER 8 1HB SER 8 5.448 -2.613 9.571 48 HB3 SER 8 2HB SER 8 6.247 -3.532 8.296 49 HG SER 8 HG SER 8 5.589 -0.788 8.365 50 H ALA 9 H ALA 9 3.041 -3.763 10.102 51 HA ALA 9 HA ALA 9 3.702 -6.509 10.180 52 HB1 ALA 9 3HB ALA 9 1.533 -5.051 11.690 53 HB2 ALA 9 1HB ALA 9 3.214 -5.205 12.196 54 HB3 ALA 9 2HB ALA 9 2.192 -6.636 12.088 55 H ILE 10 H ILE 10 0.660 -4.830 9.451 56 HA ILE 10 HA ILE 10 -0.771 -7.213 8.840 57 HB ILE 10 HB ILE 10 -1.411 -4.366 8.048 58 HG12 ILE 10 1HG1 ILE 10 -2.267 -6.009 10.441 59 HG13 ILE 10 2HG1 ILE 10 -1.140 -4.657 10.474 60 HG21 ILE 10 1HG2 ILE 10 -3.187 -6.802 8.219 61 HG22 ILE 10 2HG2 ILE 10 -2.637 -6.030 6.733 62 HG23 ILE 10 3HG2 ILE 10 -3.711 -5.164 7.830 63 HD11 ILE 10 3HD1 ILE 10 -2.926 -3.158 9.765 64 HD12 ILE 10 1HD1 ILE 10 -3.328 -3.996 11.264 65 HD13 ILE 10 2HD1 ILE 10 -4.051 -4.517 9.741 66 H TYR 11 H TYR 11 0.944 -4.803 6.912 67 HA TYR 11 HA TYR 11 0.344 -5.739 4.356 68 HB2 TYR 11 1HB TYR 11 1.545 -3.690 4.513 69 HB3 TYR 11 2HB TYR 11 2.831 -4.430 5.464 70 HD1 TYR 11 HD2 TYR 11 1.253 -4.512 2.100 71 HD2 TYR 11 HD1 TYR 11 4.751 -5.259 4.403 72 HE1 TYR 11 HE2 TYR 11 2.498 -5.007 0.043 73 HE2 TYR 11 HE1 TYR 11 6.005 -5.755 2.346 74 HH TYR 11 HH TYR 11 5.516 -6.509 0.045 75 H LYS 12 H LYS 12 2.823 -6.819 6.650 76 HA LYS 12 HA LYS 12 3.998 -8.647 4.824 77 HB2 LYS 12 1HB LYS 12 5.175 -7.703 6.798 78 HB3 LYS 12 2HB LYS 12 4.155 -8.690 7.836 79 HG2 LYS 12 1HG LYS 12 5.108 -10.695 7.030 80 HG3 LYS 12 2HG LYS 12 5.899 -9.863 5.690 81 HD2 LYS 12 1HD LYS 12 7.325 -8.670 7.270 82 HD3 LYS 12 2HD LYS 12 6.522 -9.480 8.616 83 HE2 LYS 12 1HE LYS 12 7.328 -11.626 7.862 84 HE3 LYS 12 2HE LYS 12 8.029 -10.890 6.419 85 HZ1 LYS 12 3HZ LYS 12 9.649 -11.329 8.224 86 HZ2 LYS 12 1HZ LYS 12 8.837 -10.195 9.188 87 HZ3 LYS 12 2HZ LYS 12 9.586 -9.701 7.749 88 H GLU 13 H GLU 13 1.489 -8.945 7.301 89 HA GLU 13 HA GLU 13 1.188 -11.749 7.127 90 HB2 GLU 13 1HB GLU 13 0.187 -10.338 8.932 91 HB3 GLU 13 2HB GLU 13 -0.957 -9.701 7.758 92 HG2 GLU 13 1HG GLU 13 -1.850 -11.951 7.411 93 HG3 GLU 13 2HG GLU 13 -0.709 -12.583 8.595 94 H TRP 14 H TRP 14 -0.333 -9.068 5.406 95 HA TRP 14 HA TRP 14 -1.963 -10.600 3.686 96 HB2 TRP 14 1HB TRP 14 -2.446 -8.286 3.915 97 HB3 TRP 14 2HB TRP 14 -0.797 -7.824 3.522 98 HD1 TRP 14 HD1 TRP 14 -4.038 -9.039 1.825 99 HE1 TRP 14 HE1 TRP 14 -3.926 -8.380 -0.674 100 HE3 TRP 14 HE3 TRP 14 0.756 -7.285 1.670 101 HZ2 TRP 14 HZ2 TRP 14 -2.040 -7.273 -2.453 102 HZ3 TRP 14 HZ3 TRP 14 1.638 -6.440 -0.457 103 HH2 TRP 14 HH2 TRP 14 0.269 -6.434 -2.480 104 H TYR 15 H TYR 15 1.264 -9.186 3.215 105 HA TYR 15 HA TYR 15 1.794 -10.087 0.641 106 HB2 TYR 15 1HB TYR 15 3.360 -8.571 1.396 107 HB3 TYR 15 2HB TYR 15 3.475 -9.318 2.984 108 HD1 TYR 15 HD1 TYR 15 4.337 -9.986 -0.595 109 HD2 TYR 15 HD2 TYR 15 5.326 -10.600 3.498 110 HE1 TYR 15 HE1 TYR 15 6.399 -11.145 -1.270 111 HE2 TYR 15 HE2 TYR 15 7.388 -11.759 2.833 112 HH TYR 15 HH TYR 15 8.632 -11.665 -0.297 113 H GLU 16 H GLU 16 2.467 -11.693 3.734 114 HA GLU 16 HA GLU 16 3.781 -13.927 2.617 115 HB2 GLU 16 1HB GLU 16 3.879 -13.116 5.004 116 HB3 GLU 16 2HB GLU 16 2.290 -13.827 5.238 117 HG2 GLU 16 1HG GLU 16 3.113 -16.011 4.906 118 HG3 GLU 16 2HG GLU 16 4.654 -15.408 4.292 119 H HIS 17 H HIS 17 0.429 -13.214 3.294 120 HA HIS 17 HA HIS 17 -0.543 -15.863 2.820 121 HB2 HIS 17 1HB HIS 17 -1.732 -14.161 4.196 122 HB3 HIS 17 2HB HIS 17 -2.035 -13.235 2.734 123 HD1 HIS 17 HD1 HIS 17 -2.522 -16.969 3.316 124 HD2 HIS 17 HD2 HIS 17 -4.682 -13.552 2.350 125 HE1 HIS 17 HE1 HIS 17 -4.869 -17.754 2.885 126 HE2 HIS 17 HE2 HIS 17 -6.196 -15.643 2.477 127 H LYS 18 H LYS 18 -0.251 -12.909 0.897 128 HA LYS 18 HA LYS 18 -1.461 -14.017 -1.434 129 HB2 LYS 18 1HB LYS 18 0.063 -11.540 -0.801 130 HB3 LYS 18 2HB LYS 18 -0.077 -12.014 -2.488 131 HG2 LYS 18 1HG LYS 18 -2.375 -11.541 -0.599 132 HG3 LYS 18 2HG LYS 18 -1.812 -10.429 -1.851 133 HD2 LYS 18 1HD LYS 18 -2.234 -12.284 -3.514 134 HD3 LYS 18 2HD LYS 18 -3.054 -13.150 -2.214 135 HE2 LYS 18 1HE LYS 18 -3.798 -10.446 -3.324 136 HE3 LYS 18 2HE LYS 18 -4.663 -11.959 -3.584 137 HZ1 LYS 18 3HZ LYS 18 -5.791 -10.739 -1.909 138 HZ2 LYS 18 1HZ LYS 18 -4.363 -10.484 -1.034 139 HZ3 LYS 18 2HZ LYS 18 -5.019 -12.043 -1.142 140 H LYS 19 H LYS 19 1.783 -13.976 -0.156 141 HA LYS 19 HA LYS 19 3.115 -14.800 -2.512 142 HB2 LYS 19 1HB LYS 19 4.316 -13.852 -0.601 143 HB3 LYS 19 2HB LYS 19 3.862 -15.230 0.390 144 HG2 LYS 19 1HG LYS 19 5.256 -16.692 -0.820 145 HG3 LYS 19 2HG LYS 19 5.481 -15.523 -2.121 146 HD2 LYS 19 1HD LYS 19 7.464 -15.690 -0.684 147 HD3 LYS 19 2HD LYS 19 6.749 -14.079 -0.628 148 HE2 LYS 19 1HE LYS 19 5.671 -14.620 1.490 149 HE3 LYS 19 2HE LYS 19 6.341 -16.249 1.428 150 HZ1 LYS 19 3HZ LYS 19 8.536 -15.382 1.627 151 HZ2 LYS 19 1HZ LYS 19 7.597 -14.687 2.858 152 HZ3 LYS 19 2HZ LYS 19 7.990 -13.784 1.475 153 H GLN 20 H GLN 20 0.980 -16.413 -0.417 154 HA GLN 20 HA GLN 20 1.884 -19.085 -1.001 155 HB2 GLN 20 1HB GLN 20 -0.751 -18.099 0.121 156 HB3 GLN 20 2HB GLN 20 -0.239 -19.780 0.060 157 HG2 GLN 20 1HG GLN 20 1.556 -19.349 1.592 158 HG3 GLN 20 2HG GLN 20 1.228 -17.618 1.558 159 HE21 GLN 20 2HE2 GLN 20 1.299 -19.429 3.825 160 HE22 GLN 20 1HE2 GLN 20 -0.257 -19.336 4.575 161 H VAL 21 H VAL 21 0.340 -16.707 -2.740 162 HA VAL 21 HA VAL 21 -0.969 -18.651 -4.525 163 HB VAL 21 HB VAL 21 -1.555 -15.699 -4.212 164 HG11 VAL 21 1HG1 VAL 21 -2.920 -17.769 -5.931 165 HG12 VAL 21 2HG1 VAL 21 -1.895 -16.454 -6.507 166 HG13 VAL 21 3HG1 VAL 21 -3.434 -16.095 -5.724 167 HG21 VAL 21 3HG2 VAL 21 -2.346 -17.009 -2.315 168 HG22 VAL 21 1HG2 VAL 21 -3.184 -18.109 -3.411 169 HG23 VAL 21 2HG2 VAL 21 -3.698 -16.426 -3.285 170 H TRP 22 H TRP 22 1.031 -15.750 -4.385 171 HA TRP 22 HA TRP 22 1.533 -15.715 -7.216 172 HB2 TRP 22 1HB TRP 22 2.947 -14.242 -4.984 173 HB3 TRP 22 2HB TRP 22 3.124 -13.915 -6.702 174 HD1 TRP 22 HD1 TRP 22 -0.144 -14.094 -7.254 175 HE1 TRP 22 HE1 TRP 22 -1.547 -12.036 -6.582 176 HE3 TRP 22 HE3 TRP 22 3.102 -11.949 -3.938 177 HZ2 TRP 22 HZ2 TRP 22 -1.299 -9.805 -4.876 178 HZ3 TRP 22 HZ3 TRP 22 2.444 -9.851 -2.831 179 HH2 TRP 22 HH2 TRP 22 0.287 -8.806 -3.290 180 H SER 23 H SER 23 3.771 -15.737 -8.069 181 HA SER 23 HA SER 23 5.298 -17.981 -7.136 182 HB2 SER 23 1HB SER 23 6.005 -15.866 -9.191 183 HB3 SER 23 2HB SER 23 6.835 -17.405 -8.962 184 HG SER 23 HG SER 23 4.113 -17.647 -9.329 185 H VAL 24 H VAL 24 7.486 -17.865 -6.326 186 HA VAL 24 HA VAL 24 7.717 -16.040 -4.207 187 HB VAL 24 HB VAL 24 8.780 -18.264 -4.205 188 HG11 VAL 24 1HG1 VAL 24 10.943 -18.589 -5.329 189 HG12 VAL 24 2HG1 VAL 24 10.737 -17.034 -6.139 190 HG13 VAL 24 3HG1 VAL 24 9.619 -18.356 -6.472 191 HG21 VAL 24 3HG2 VAL 24 9.512 -16.597 -2.605 192 HG22 VAL 24 1HG2 VAL 24 10.683 -15.969 -3.766 193 HG23 VAL 24 2HG2 VAL 24 10.875 -17.596 -3.115 194 H GLY 25 H GLY 25 9.125 -16.014 -7.444 195 HA2 GLY 25 1HA GLY 25 10.906 -13.852 -7.013 196 HA3 GLY 25 2HA GLY 25 10.305 -14.398 -8.573 197 H TYR 26 H TYR 26 7.593 -14.006 -8.260 198 HA TYR 26 HA TYR 26 7.370 -11.232 -8.782 199 HB2 TYR 26 1HB TYR 26 5.878 -12.862 -9.849 200 HB3 TYR 26 2HB TYR 26 5.197 -13.287 -8.283 201 HD1 TYR 26 HD1 TYR 26 5.595 -10.436 -10.638 202 HD2 TYR 26 HD2 TYR 26 3.343 -12.129 -7.453 203 HE1 TYR 26 HE1 TYR 26 3.912 -8.665 -10.897 204 HE2 TYR 26 HE2 TYR 26 1.648 -10.364 -7.706 205 HH TYR 26 HH TYR 26 1.537 -8.298 -10.408 206 H ALA 27 H ALA 27 6.529 -13.262 -6.008 207 HA ALA 27 HA ALA 27 5.212 -11.252 -4.520 208 HB1 ALA 27 3HB ALA 27 6.667 -13.698 -3.522 209 HB2 ALA 27 1HB ALA 27 4.979 -13.633 -4.026 210 HB3 ALA 27 2HB ALA 27 5.510 -12.733 -2.605 211 H THR 28 H THR 28 8.582 -12.357 -4.554 212 HA THR 28 HA THR 28 9.476 -10.627 -2.508 213 HB THR 28 HB THR 28 11.086 -11.825 -4.772 214 HG1 THR 28 HG1 THR 28 10.324 -13.554 -3.715 215 HG21 THR 28 3HG2 THR 28 12.271 -10.027 -3.605 216 HG22 THR 28 1HG2 THR 28 12.986 -11.595 -3.231 217 HG23 THR 28 2HG2 THR 28 11.937 -10.801 -2.056 218 H GLU 29 H GLU 29 9.500 -10.338 -6.053 219 HA GLU 29 HA GLU 29 10.839 -7.869 -6.172 220 HB2 GLU 29 1HB GLU 29 10.371 -9.517 -8.059 221 HB3 GLU 29 2HB GLU 29 8.763 -8.812 -8.146 222 HG2 GLU 29 1HG GLU 29 10.231 -7.853 -9.819 223 HG3 GLU 29 2HG GLU 29 9.732 -6.635 -8.644 224 H LEU 30 H LEU 30 7.448 -8.696 -5.802 225 HA LEU 30 HA LEU 30 6.414 -6.068 -6.054 226 HB2 LEU 30 1HB LEU 30 5.081 -8.152 -6.263 227 HB3 LEU 30 2HB LEU 30 5.284 -8.432 -4.547 228 HG LEU 30 HG LEU 30 3.984 -5.900 -5.496 229 HD11 LEU 30 1HD1 LEU 30 2.836 -7.690 -6.674 230 HD12 LEU 30 2HD1 LEU 30 1.818 -7.025 -5.397 231 HD13 LEU 30 3HD1 LEU 30 2.632 -8.570 -5.159 232 HD21 LEU 30 3HD2 LEU 30 4.548 -6.120 -3.119 233 HD22 LEU 30 1HD2 LEU 30 3.618 -7.616 -3.039 234 HD23 LEU 30 2HD2 LEU 30 2.802 -6.087 -3.365 235 H ALA 31 H ALA 31 7.195 -8.066 -3.213 236 HA ALA 31 HA ALA 31 6.568 -6.103 -1.292 237 HB1 ALA 31 3HB ALA 31 8.479 -8.428 -1.075 238 HB2 ALA 31 1HB ALA 31 6.750 -8.462 -0.724 239 HB3 ALA 31 2HB ALA 31 7.835 -7.494 0.274 240 H LYS 32 H LYS 32 9.495 -6.831 -3.078 241 HA LYS 32 HA LYS 32 11.266 -5.084 -1.775 242 HB2 LYS 32 1HB LYS 32 12.033 -6.769 -3.332 243 HB3 LYS 32 2HB LYS 32 11.128 -6.031 -4.642 244 HG2 LYS 32 1HG LYS 32 12.584 -4.076 -4.553 245 HG3 LYS 32 2HG LYS 32 13.491 -4.814 -3.229 246 HD2 LYS 32 1HD LYS 32 14.122 -6.669 -4.666 247 HD3 LYS 32 2HD LYS 32 13.168 -5.992 -5.988 248 HE2 LYS 32 1HE LYS 32 14.607 -4.039 -6.054 249 HE3 LYS 32 2HE LYS 32 15.532 -4.652 -4.682 250 HZ1 LYS 32 3HZ LYS 32 16.202 -6.545 -6.013 251 HZ2 LYS 32 1HZ LYS 32 16.643 -5.099 -6.784 252 HZ3 LYS 32 2HZ LYS 32 15.300 -5.978 -7.329 253 H MET 33 H MET 33 9.279 -4.596 -4.680 254 HA MET 33 HA MET 33 9.828 -1.909 -5.150 255 HB2 MET 33 1HB MET 33 8.620 -3.285 -6.744 256 HB3 MET 33 2HB MET 33 7.292 -3.492 -5.614 257 HG2 MET 33 1HG MET 33 6.842 -1.071 -5.750 258 HG3 MET 33 2HG MET 33 8.118 -0.931 -6.959 259 HE1 MET 33 3HE MET 33 4.571 -2.356 -6.118 260 HE2 MET 33 1HE MET 33 5.492 -3.823 -6.452 261 HE3 MET 33 2HE MET 33 4.210 -3.316 -7.554 262 H PHE 34 H PHE 34 7.234 -3.369 -3.255 263 HA PHE 34 HA PHE 34 5.944 -1.021 -2.412 264 HB2 PHE 34 1HB PHE 34 5.333 -3.583 -2.250 265 HB3 PHE 34 2HB PHE 34 6.107 -3.465 -0.677 266 HD1 PHE 34 HD2 PHE 34 5.201 -1.720 0.961 267 HD2 PHE 34 HD1 PHE 34 3.133 -2.957 -2.549 268 HE1 PHE 34 HE2 PHE 34 3.091 -0.897 1.916 269 HE2 PHE 34 HE1 PHE 34 1.019 -2.138 -1.599 270 HZ PHE 34 HZ PHE 34 0.994 -1.107 0.636 271 H ASP 35 H ASP 35 8.520 -2.948 -0.891 272 HA ASP 35 HA ASP 35 8.630 -1.463 1.496 273 HB2 ASP 35 1HB ASP 35 9.559 -3.671 1.425 274 HB3 ASP 35 2HB ASP 35 10.687 -3.213 0.154 275 H ASP 36 H ASP 36 10.630 -1.241 -1.456 276 HA ASP 36 HA ASP 36 12.419 0.656 -0.404 277 HB2 ASP 36 1HB ASP 36 11.736 -0.183 -3.195 278 HB3 ASP 36 2HB ASP 36 12.818 1.178 -2.920 279 H ASP 37 H ASP 37 9.356 1.137 -2.127 280 HA ASP 37 HA ASP 37 9.910 4.026 -2.095 281 HB2 ASP 37 1HB ASP 37 8.209 2.329 -3.892 282 HB3 ASP 37 2HB ASP 37 7.947 4.066 -3.779 283 H ILE 38 H ILE 38 7.868 1.696 -0.620 284 HA ILE 38 HA ILE 38 5.896 3.789 0.026 285 HB ILE 38 HB ILE 38 5.502 0.802 0.236 286 HG12 ILE 38 1HG1 ILE 38 4.775 2.739 -1.967 287 HG13 ILE 38 2HG1 ILE 38 5.811 1.327 -2.085 288 HG21 ILE 38 1HG2 ILE 38 3.126 1.374 0.406 289 HG22 ILE 38 2HG2 ILE 38 3.541 3.088 0.369 290 HG23 ILE 38 3HG2 ILE 38 4.068 2.082 1.719 291 HD11 ILE 38 3HD1 ILE 38 2.852 1.269 -1.547 292 HD12 ILE 38 1HD1 ILE 38 3.907 -0.128 -1.752 293 HD13 ILE 38 2HD1 ILE 38 3.621 0.967 -3.104 294 H LEU 39 H LEU 39 7.964 1.301 1.420 295 HA LEU 39 HA LEU 39 6.851 1.241 3.986 296 HB2 LEU 39 1HB LEU 39 8.781 -0.161 2.720 297 HB3 LEU 39 2HB LEU 39 9.762 0.808 3.798 298 HG LEU 39 HG LEU 39 9.169 -1.458 4.672 299 HD11 LEU 39 1HD1 LEU 39 8.161 0.882 6.276 300 HD12 LEU 39 2HD1 LEU 39 9.831 0.329 6.180 301 HD13 LEU 39 3HD1 LEU 39 8.604 -0.699 6.919 302 HD21 LEU 39 3HD2 LEU 39 6.400 -0.278 4.826 303 HD22 LEU 39 1HD2 LEU 39 6.908 -1.821 5.514 304 HD23 LEU 39 2HD2 LEU 39 6.910 -1.591 3.765 305 HA PRO 40 HA PRO 40 10.194 4.533 5.336 306 HB2 PRO 40 1HB PRO 40 10.929 6.293 3.373 307 HB3 PRO 40 2HB PRO 40 11.875 4.872 3.830 308 HG2 PRO 40 1HG PRO 40 9.955 5.224 1.560 309 HG3 PRO 40 2HG PRO 40 11.545 4.437 1.570 310 HD2 PRO 40 1HD PRO 40 9.278 3.015 1.650 311 HD3 PRO 40 2HD PRO 40 10.721 2.506 2.554 312 H ILE 41 H ILE 41 7.435 4.827 3.390 313 HA ILE 41 HA ILE 41 7.005 7.626 4.161 314 HB ILE 41 HB ILE 41 5.481 5.955 2.155 315 HG12 ILE 41 1HG1 ILE 41 7.557 8.130 1.789 316 HG13 ILE 41 2HG1 ILE 41 7.756 6.425 1.400 317 HG21 ILE 41 1HG2 ILE 41 5.308 8.904 2.779 318 HG22 ILE 41 2HG2 ILE 41 4.093 7.687 3.172 319 HG23 ILE 41 3HG2 ILE 41 4.444 8.068 1.485 320 HD11 ILE 41 3HD1 ILE 41 6.051 6.615 -0.327 321 HD12 ILE 41 1HD1 ILE 41 7.368 7.758 -0.592 322 HD13 ILE 41 2HD1 ILE 41 5.833 8.320 0.071 323 H ILE 42 H ILE 42 5.150 4.541 4.067 324 HA ILE 42 HA ILE 42 3.665 5.584 6.398 325 HB ILE 42 HB ILE 42 1.633 4.496 5.624 326 HG12 ILE 42 1HG1 ILE 42 2.836 4.046 2.922 327 HG13 ILE 42 2HG1 ILE 42 3.072 2.837 4.183 328 HG21 ILE 42 1HG2 ILE 42 2.008 6.832 5.050 329 HG22 ILE 42 2HG2 ILE 42 1.076 6.007 3.802 330 HG23 ILE 42 3HG2 ILE 42 2.788 6.343 3.547 331 HD11 ILE 42 3HD1 ILE 42 1.169 2.287 2.798 332 HD12 ILE 42 1HD1 ILE 42 0.429 3.845 3.170 333 HD13 ILE 42 2HD1 ILE 42 0.660 2.651 4.450 334 H GLY 43 H GLY 43 5.805 3.314 5.565 335 HA2 GLY 43 1HA GLY 43 4.643 0.854 6.257 336 HA3 GLY 43 2HA GLY 43 6.359 1.225 6.335 337 H GLY 44 H GLY 44 6.288 3.267 8.244 338 HA2 GLY 44 1HA GLY 44 6.003 1.642 10.624 339 HA3 GLY 44 2HA GLY 44 6.723 3.241 10.526 340 H LEU 45 H LEU 45 3.705 3.235 8.991 341 HA LEU 45 HA LEU 45 2.570 4.608 11.312 342 HB2 LEU 45 1HB LEU 45 1.559 4.398 8.471 343 HB3 LEU 45 2HB LEU 45 0.834 5.368 9.738 344 HG LEU 45 HG LEU 45 3.593 5.784 8.581 345 HD11 LEU 45 1HD1 LEU 45 1.060 7.382 8.236 346 HD12 LEU 45 2HD1 LEU 45 1.821 6.365 7.010 347 HD13 LEU 45 3HD1 LEU 45 2.652 7.805 7.599 348 HD21 LEU 45 3HD2 LEU 45 3.595 7.851 9.886 349 HD22 LEU 45 1HD2 LEU 45 3.471 6.432 10.927 350 HD23 LEU 45 2HD2 LEU 45 2.040 7.408 10.592 351 H GLU 46 H GLU 46 0.165 4.253 11.647 352 HA GLU 46 HA GLU 46 -0.320 1.382 11.832 353 HB2 GLU 46 1HB GLU 46 -1.862 3.723 12.977 354 HB3 GLU 46 2HB GLU 46 -2.205 2.026 13.292 355 HG2 GLU 46 1HG GLU 46 -0.078 1.759 14.394 356 HG3 GLU 46 2HG GLU 46 0.371 3.416 13.993 357 H ILE 47 H ILE 47 -2.082 0.370 10.866 358 HA ILE 47 HA ILE 47 -2.833 1.498 8.367 359 HB ILE 47 HB ILE 47 -2.572 -0.993 8.981 360 HG12 ILE 47 1HG1 ILE 47 -5.027 -0.228 7.395 361 HG13 ILE 47 2HG1 ILE 47 -3.384 -0.021 6.799 362 HG21 ILE 47 1HG2 ILE 47 -5.432 -0.549 9.825 363 HG22 ILE 47 2HG2 ILE 47 -4.094 -1.039 10.866 364 HG23 ILE 47 3HG2 ILE 47 -4.668 -2.122 9.597 365 HD11 ILE 47 3HD1 ILE 47 -4.381 -2.043 5.925 366 HD12 ILE 47 1HD1 ILE 47 -4.672 -2.625 7.562 367 HD13 ILE 47 2HD1 ILE 47 -3.022 -2.427 6.980 368 H GLN 48 H GLN 48 -4.109 1.783 11.490 369 HA GLN 48 HA GLN 48 -6.787 2.506 10.587 370 HB2 GLN 48 1HB GLN 48 -5.663 2.683 13.384 371 HB3 GLN 48 2HB GLN 48 -7.353 2.704 12.912 372 HG2 GLN 48 1HG GLN 48 -7.205 0.380 12.214 373 HG3 GLN 48 2HG GLN 48 -5.493 0.354 12.638 374 HE21 GLN 48 2HE2 GLN 48 -7.618 -1.297 13.694 375 HE22 GLN 48 1HE2 GLN 48 -7.668 -0.999 15.403 376 H ASP 49 H ASP 49 -3.801 3.955 10.825 377 HA ASP 49 HA ASP 49 -4.982 6.613 11.104 378 HB2 ASP 49 1HB ASP 49 -4.116 5.915 13.341 379 HB3 ASP 49 2HB ASP 49 -2.510 5.766 12.632 380 H ILE 50 H ILE 50 -4.640 6.513 8.792 381 HA ILE 50 HA ILE 50 -1.923 7.410 8.149 382 HB ILE 50 HB ILE 50 -3.627 5.594 6.438 383 HG12 ILE 50 1HG1 ILE 50 -0.888 5.283 7.689 384 HG13 ILE 50 2HG1 ILE 50 -2.350 4.407 8.129 385 HG21 ILE 50 1HG2 ILE 50 -1.025 6.954 5.732 386 HG22 ILE 50 2HG2 ILE 50 -2.613 7.364 5.079 387 HG23 ILE 50 3HG2 ILE 50 -1.896 5.790 4.732 388 HD11 ILE 50 3HD1 ILE 50 -2.368 3.330 5.954 389 HD12 ILE 50 1HD1 ILE 50 -0.845 3.044 6.796 390 HD13 ILE 50 2HD1 ILE 50 -0.922 4.230 5.493 391 H GLU 51 H GLU 51 -1.976 9.404 7.548 392 HA GLU 51 HA GLU 51 -4.407 10.736 6.847 393 HB2 GLU 51 1HB GLU 51 -2.863 12.714 6.555 394 HB3 GLU 51 2HB GLU 51 -2.847 11.967 8.147 395 HG2 GLU 51 1HG GLU 51 -0.827 10.633 7.202 396 HG3 GLU 51 2HG GLU 51 -0.764 11.933 6.015 397 HA PRO 52 HA PRO 52 -4.636 10.032 2.554 398 HB2 PRO 52 1HB PRO 52 -5.385 12.615 1.771 399 HB3 PRO 52 2HB PRO 52 -6.474 11.312 2.251 400 HG2 PRO 52 1HG PRO 52 -5.441 13.606 3.842 401 HG3 PRO 52 2HG PRO 52 -7.028 12.817 3.899 402 HD2 PRO 52 1HD PRO 52 -5.190 12.380 5.794 403 HD3 PRO 52 2HD PRO 52 -6.253 11.076 5.223 404 H MET 53 H MET 53 -3.008 13.054 3.504 405 HA MET 53 HA MET 53 -1.654 13.455 1.058 406 HB2 MET 53 1HB MET 53 -1.149 14.425 3.862 407 HB3 MET 53 2HB MET 53 -0.061 14.831 2.541 408 HG2 MET 53 1HG MET 53 -3.006 15.446 2.596 409 HG3 MET 53 2HG MET 53 -1.724 16.583 3.009 410 HE1 MET 53 3HE MET 53 0.078 17.478 1.271 411 HE2 MET 53 1HE MET 53 0.165 16.936 -0.404 412 HE3 MET 53 2HE MET 53 0.523 15.811 0.907 413 H GLN 54 H GLN 54 -0.921 11.496 3.851 414 HA GLN 54 HA GLN 54 1.834 11.069 3.139 415 HB2 GLN 54 1HB GLN 54 0.732 10.947 5.479 416 HB3 GLN 54 2HB GLN 54 0.210 9.342 4.994 417 HG2 GLN 54 1HG GLN 54 2.199 9.153 6.296 418 HG3 GLN 54 2HG GLN 54 2.573 8.729 4.627 419 HE21 GLN 54 2HE2 GLN 54 4.765 9.132 5.064 420 HE22 GLN 54 1HE2 GLN 54 5.391 10.744 5.149 421 H LEU 55 H LEU 55 -1.219 9.346 2.820 422 HA LEU 55 HA LEU 55 -0.124 6.988 1.675 423 HB2 LEU 55 1HB LEU 55 -2.381 7.201 2.756 424 HB3 LEU 55 2HB LEU 55 -2.917 8.083 1.340 425 HG LEU 55 HG LEU 55 -2.558 6.112 -0.057 426 HD11 LEU 55 1HD1 LEU 55 -0.676 5.134 1.131 427 HD12 LEU 55 2HD1 LEU 55 -1.979 3.959 0.959 428 HD13 LEU 55 3HD1 LEU 55 -1.717 4.764 2.506 429 HD21 LEU 55 3HD2 LEU 55 -4.318 4.688 0.886 430 HD22 LEU 55 1HD2 LEU 55 -4.733 6.398 1.002 431 HD23 LEU 55 2HD2 LEU 55 -4.167 5.527 2.428 432 H LEU 56 H LEU 56 -1.431 9.996 0.332 433 HA LEU 56 HA LEU 56 -1.095 9.212 -2.383 434 HB2 LEU 56 1HB LEU 56 -2.619 11.026 -1.666 435 HB3 LEU 56 2HB LEU 56 -1.235 11.990 -1.195 436 HG LEU 56 HG LEU 56 -2.452 12.411 -3.485 437 HD11 LEU 56 1HD1 LEU 56 -0.396 13.283 -4.430 438 HD12 LEU 56 2HD1 LEU 56 0.548 12.315 -3.299 439 HD13 LEU 56 3HD1 LEU 56 -0.476 13.618 -2.699 440 HD21 LEU 56 3HD2 LEU 56 -2.294 10.127 -4.302 441 HD22 LEU 56 1HD2 LEU 56 -0.534 10.219 -4.226 442 HD23 LEU 56 2HD2 LEU 56 -1.422 11.245 -5.352 443 H GLU 57 H GLU 57 1.000 10.576 0.050 444 HA GLU 57 HA GLU 57 3.081 11.481 -1.579 445 HB2 GLU 57 1HB GLU 57 2.841 11.711 0.960 446 HB3 GLU 57 2HB GLU 57 3.505 10.087 1.062 447 HG2 GLU 57 1HG GLU 57 5.233 11.736 1.410 448 HG3 GLU 57 2HG GLU 57 5.527 10.839 -0.081 449 H VAL 58 H VAL 58 2.334 8.267 -0.316 450 HA VAL 58 HA VAL 58 4.459 6.827 -1.442 451 HB VAL 58 HB VAL 58 1.597 6.018 -0.908 452 HG11 VAL 58 1HG1 VAL 58 3.928 4.300 -1.732 453 HG12 VAL 58 2HG1 VAL 58 2.437 4.563 -2.634 454 HG13 VAL 58 3HG1 VAL 58 2.401 3.683 -1.106 455 HG21 VAL 58 3HG2 VAL 58 2.545 4.874 1.021 456 HG22 VAL 58 1HG2 VAL 58 2.933 6.593 1.061 457 HG23 VAL 58 2HG2 VAL 58 4.158 5.423 0.568 458 H ILE 59 H ILE 59 1.205 7.378 -2.742 459 HA ILE 59 HA ILE 59 1.545 6.065 -5.185 460 HB ILE 59 HB ILE 59 -0.222 8.421 -4.561 461 HG12 ILE 59 1HG1 ILE 59 -0.662 6.587 -3.049 462 HG13 ILE 59 2HG1 ILE 59 -1.982 6.721 -4.207 463 HG21 ILE 59 1HG2 ILE 59 -0.387 6.435 -6.812 464 HG22 ILE 59 2HG2 ILE 59 -0.004 8.154 -6.945 465 HG23 ILE 59 3HG2 ILE 59 -1.610 7.648 -6.425 466 HD11 ILE 59 3HD1 ILE 59 -1.407 4.409 -3.828 467 HD12 ILE 59 1HD1 ILE 59 0.265 4.724 -4.293 468 HD13 ILE 59 2HD1 ILE 59 -1.026 4.869 -5.487 469 H ARG 60 H ARG 60 1.940 9.482 -4.364 470 HA ARG 60 HA ARG 60 2.654 10.332 -6.973 471 HB2 ARG 60 1HB ARG 60 1.768 11.767 -5.083 472 HB3 ARG 60 2HB ARG 60 3.374 11.682 -4.372 473 HG2 ARG 60 1HG ARG 60 4.288 12.693 -6.444 474 HG3 ARG 60 2HG ARG 60 2.632 12.887 -7.028 475 HD2 ARG 60 1HD ARG 60 3.379 14.953 -6.037 476 HD3 ARG 60 2HD ARG 60 2.122 14.234 -5.027 477 HE ARG 60 HE ARG 60 3.884 13.510 -3.510 478 HH11 ARG 60 1HH1 ARG 60 4.713 15.938 -5.875 479 HH12 ARG 60 2HH1 ARG 60 6.074 16.544 -4.990 480 HH21 ARG 60 1HH2 ARG 60 5.657 14.278 -2.316 481 HH22 ARG 60 2HH2 ARG 60 6.613 15.591 -2.946 482 H ARG 61 H ARG 61 4.449 9.084 -4.247 483 HA ARG 61 HA ARG 61 7.059 9.660 -4.964 484 HB2 ARG 61 1HB ARG 61 6.758 8.577 -2.907 485 HB3 ARG 61 2HB ARG 61 5.763 7.313 -3.609 486 HG2 ARG 61 1HG ARG 61 7.822 6.338 -2.997 487 HG3 ARG 61 2HG ARG 61 7.808 6.458 -4.754 488 HD2 ARG 61 1HD ARG 61 9.235 8.408 -4.666 489 HD3 ARG 61 2HD ARG 61 9.174 8.404 -2.900 490 HE ARG 61 HE ARG 61 10.198 6.015 -4.252 491 HH11 ARG 61 1HH1 ARG 61 10.912 8.960 -2.481 492 HH12 ARG 61 2HH1 ARG 61 12.445 8.376 -1.888 493 HH21 ARG 61 1HH2 ARG 61 12.218 5.262 -3.500 494 HH22 ARG 61 2HH2 ARG 61 13.176 6.270 -2.460 495 H PHE 62 H PHE 62 4.979 6.989 -6.058 496 HA PHE 62 HA PHE 62 6.890 5.954 -7.896 497 HB2 PHE 62 1HB PHE 62 3.896 5.635 -7.728 498 HB3 PHE 62 2HB PHE 62 4.886 4.812 -8.929 499 HD1 PHE 62 HD2 PHE 62 6.729 3.280 -8.115 500 HD2 PHE 62 HD1 PHE 62 3.646 4.758 -5.583 501 HE1 PHE 62 HE2 PHE 62 7.180 1.466 -6.516 502 HE2 PHE 62 HE1 PHE 62 4.092 2.946 -3.979 503 HZ PHE 62 HZ PHE 62 5.859 1.298 -4.445 504 H GLU 63 H GLU 63 4.422 8.437 -8.148 505 HA GLU 63 HA GLU 63 4.499 8.674 -10.980 506 HB2 GLU 63 1HB GLU 63 3.605 10.599 -8.833 507 HB3 GLU 63 2HB GLU 63 3.454 10.927 -10.555 508 HG2 GLU 63 1HG GLU 63 2.096 8.868 -10.773 509 HG3 GLU 63 2HG GLU 63 2.157 8.693 -9.019 510 H ASP 64 H ASP 64 6.216 10.321 -8.355 511 HA ASP 64 HA ASP 64 7.724 12.104 -9.894 512 HB2 ASP 64 1HB ASP 64 8.153 10.775 -7.248 513 HB3 ASP 64 2HB ASP 64 9.498 11.633 -7.991 514 H ARG 65 H ARG 65 8.065 8.688 -9.337 515 HA ARG 65 HA ARG 65 10.682 8.453 -10.486 516 HB2 ARG 65 1HB ARG 65 8.591 6.295 -10.131 517 HB3 ARG 65 2HB ARG 65 10.313 6.056 -10.388 518 HG2 ARG 65 1HG ARG 65 9.115 7.391 -7.972 519 HG3 ARG 65 2HG ARG 65 9.588 5.694 -8.056 520 HD2 ARG 65 1HD ARG 65 11.432 8.042 -8.472 521 HD3 ARG 65 2HD ARG 65 11.294 7.110 -6.981 522 HE ARG 65 HE ARG 65 12.442 6.184 -9.525 523 HH11 ARG 65 1HH1 ARG 65 11.702 5.584 -6.152 524 HH12 ARG 65 2HH1 ARG 65 12.862 4.305 -5.988 525 HH21 ARG 65 1HH2 ARG 65 13.967 4.494 -9.313 526 HH22 ARG 65 2HH2 ARG 65 14.142 3.668 -7.794 527 H GLY 66 H GLY 66 7.443 8.610 -11.690 528 HA2 GLY 66 1HA GLY 66 6.811 8.807 -13.940 529 HA3 GLY 66 2HA GLY 66 8.393 8.203 -14.421 530 H ALA 67 H ALA 67 7.117 6.378 -11.946 531 HA ALA 67 HA ALA 67 6.574 4.187 -13.777 532 HB1 ALA 67 3HB ALA 67 6.654 2.766 -11.809 533 HB2 ALA 67 1HB ALA 67 6.742 4.186 -10.765 534 HB3 ALA 67 2HB ALA 67 8.071 3.816 -11.862 535 H MET 68 H MET 68 4.584 4.918 -14.607 536 HA MET 68 HA MET 68 2.456 5.761 -12.923 537 HB2 MET 68 1HB MET 68 2.112 4.765 -15.742 538 HB3 MET 68 2HB MET 68 1.137 5.944 -14.878 539 HG2 MET 68 1HG MET 68 3.853 6.277 -16.090 540 HG3 MET 68 2HG MET 68 2.382 7.197 -16.393 541 HE1 MET 68 3HE MET 68 1.451 7.632 -13.256 542 HE2 MET 68 1HE MET 68 1.305 8.855 -14.522 543 HE3 MET 68 2HE MET 68 2.113 9.248 -13.003 544 H GLU 69 H GLU 69 3.389 2.698 -14.343 545 HA GLU 69 HA GLU 69 1.021 1.257 -13.810 546 HB2 GLU 69 1HB GLU 69 3.894 0.323 -13.921 547 HB3 GLU 69 2HB GLU 69 2.508 -0.751 -13.845 548 HG2 GLU 69 1HG GLU 69 1.746 -0.007 -15.996 549 HG3 GLU 69 2HG GLU 69 3.016 1.218 -16.063 550 H ARG 70 H ARG 70 3.977 1.756 -11.953 551 HA ARG 70 HA ARG 70 3.203 0.071 -9.798 552 HB2 ARG 70 1HB ARG 70 5.316 2.233 -9.786 553 HB3 ARG 70 2HB ARG 70 5.211 0.845 -8.707 554 HG2 ARG 70 1HG ARG 70 5.583 -0.655 -10.600 555 HG3 ARG 70 2HG ARG 70 5.691 0.736 -11.679 556 HD2 ARG 70 1HD ARG 70 7.608 1.539 -10.237 557 HD3 ARG 70 2HD ARG 70 7.573 -0.049 -9.462 558 HE ARG 70 HE ARG 70 8.008 0.331 -12.365 559 HH11 ARG 70 1HH1 ARG 70 8.921 -1.133 -9.304 560 HH12 ARG 70 2HH1 ARG 70 9.983 -2.293 -10.040 561 HH21 ARG 70 1HH2 ARG 70 9.416 -1.177 -13.319 562 HH22 ARG 70 2HH2 ARG 70 10.271 -2.318 -12.315 563 H ALA 71 H ALA 71 2.912 3.507 -10.463 564 HA ALA 71 HA ALA 71 2.114 4.364 -7.912 565 HB1 ALA 71 3HB ALA 71 1.107 6.276 -9.055 566 HB2 ALA 71 1HB ALA 71 1.269 5.444 -10.601 567 HB3 ALA 71 2HB ALA 71 2.709 5.919 -9.700 568 H ASN 72 H ASN 72 0.238 3.144 -10.658 569 HA ASN 72 HA ASN 72 -2.273 3.319 -9.304 570 HB2 ASN 72 1HB ASN 72 -1.352 2.015 -11.848 571 HB3 ASN 72 2HB ASN 72 -2.957 1.673 -11.209 572 HD21 ASN 72 2HD2 ASN 72 -0.871 4.090 -12.593 573 HD22 ASN 72 1HD2 ASN 72 -2.120 5.233 -12.953 574 H LYS 73 H LYS 73 0.099 0.745 -9.834 575 HA LYS 73 HA LYS 73 -1.361 -1.371 -8.713 576 HB2 LYS 73 1HB LYS 73 1.589 -0.843 -8.977 577 HB3 LYS 73 2HB LYS 73 0.999 -2.272 -8.139 578 HG2 LYS 73 1HG LYS 73 -0.173 -2.983 -10.157 579 HG3 LYS 73 2HG LYS 73 0.394 -1.539 -10.999 580 HD2 LYS 73 1HD LYS 73 2.682 -2.260 -10.809 581 HD3 LYS 73 2HD LYS 73 2.211 -3.623 -9.791 582 HE2 LYS 73 1HE LYS 73 0.979 -4.607 -11.633 583 HE3 LYS 73 2HE LYS 73 1.349 -3.219 -12.654 584 HZ1 LYS 73 3HZ LYS 73 2.775 -5.211 -13.018 585 HZ2 LYS 73 1HZ LYS 73 3.435 -4.978 -11.475 586 HZ3 LYS 73 2HZ LYS 73 3.633 -3.794 -12.679 587 H ALA 74 H ALA 74 0.759 1.034 -7.213 588 HA ALA 74 HA ALA 74 0.703 0.078 -4.593 589 HB1 ALA 74 3HB ALA 74 1.288 2.323 -3.897 590 HB2 ALA 74 1HB ALA 74 0.743 2.982 -5.441 591 HB3 ALA 74 2HB ALA 74 2.158 1.925 -5.378 592 H ARG 75 H ARG 75 -1.441 2.409 -6.191 593 HA ARG 75 HA ARG 75 -3.128 2.960 -4.051 594 HB2 ARG 75 1HB ARG 75 -3.061 4.163 -6.249 595 HB3 ARG 75 2HB ARG 75 -3.931 2.811 -6.961 596 HG2 ARG 75 1HG ARG 75 -5.756 3.238 -5.286 597 HG3 ARG 75 2HG ARG 75 -4.907 4.726 -4.859 598 HD2 ARG 75 1HD ARG 75 -6.069 3.976 -7.536 599 HD3 ARG 75 2HD ARG 75 -6.606 5.263 -6.456 600 HE ARG 75 HE ARG 75 -4.283 6.223 -6.908 601 HH11 ARG 75 1HH1 ARG 75 -6.135 4.360 -9.209 602 HH12 ARG 75 2HH1 ARG 75 -5.389 5.086 -10.599 603 HH21 ARG 75 1HH2 ARG 75 -3.314 7.219 -8.744 604 HH22 ARG 75 2HH2 ARG 75 -3.799 6.730 -10.340 605 H ARG 76 H ARG 76 -3.453 0.499 -6.587 606 HA ARG 76 HA ARG 76 -5.960 -0.477 -5.791 607 HB2 ARG 76 1HB ARG 76 -3.724 -1.874 -7.265 608 HB3 ARG 76 2HB ARG 76 -5.353 -2.513 -7.096 609 HG2 ARG 76 1HG ARG 76 -6.228 -0.572 -8.315 610 HG3 ARG 76 2HG ARG 76 -4.580 0.034 -8.507 611 HD2 ARG 76 1HD ARG 76 -3.982 -2.022 -9.714 612 HD3 ARG 76 2HD ARG 76 -5.641 -2.592 -9.549 613 HE ARG 76 HE ARG 76 -5.305 -0.030 -10.876 614 HH11 ARG 76 1HH1 ARG 76 -5.714 -3.489 -11.210 615 HH12 ARG 76 2HH1 ARG 76 -6.229 -3.407 -12.863 616 HH21 ARG 76 1HH2 ARG 76 -5.958 0.098 -13.062 617 HH22 ARG 76 2HH2 ARG 76 -6.373 -1.364 -13.922 618 H ARG 77 H ARG 77 -2.689 -1.691 -5.005 619 HA ARG 77 HA ARG 77 -3.904 -3.818 -3.481 620 HB2 ARG 77 1HB ARG 77 -1.103 -3.234 -4.335 621 HB3 ARG 77 2HB ARG 77 -1.407 -4.406 -3.052 622 HG2 ARG 77 1HG ARG 77 -2.965 -5.594 -4.576 623 HG3 ARG 77 2HG ARG 77 -2.503 -4.480 -5.857 624 HD2 ARG 77 1HD ARG 77 -0.310 -5.332 -5.949 625 HD3 ARG 77 2HD ARG 77 -0.482 -6.155 -4.396 626 HE ARG 77 HE ARG 77 -2.271 -7.512 -5.655 627 HH11 ARG 77 1HH1 ARG 77 0.652 -6.272 -7.147 628 HH12 ARG 77 2HH1 ARG 77 0.769 -7.566 -8.301 629 HH21 ARG 77 1HH2 ARG 77 -2.133 -9.188 -7.175 630 HH22 ARG 77 2HH2 ARG 77 -0.829 -9.227 -8.319 631 H CYS 78 H CYS 78 -2.499 -0.712 -2.737 632 HA CYS 78 HA CYS 78 -2.181 -1.215 0.038 633 HB2 CYS 78 1HB CYS 78 -2.825 1.350 -1.430 634 HB3 CYS 78 2HB CYS 78 -2.531 1.270 0.303 635 HG CYS 78 HG CYS 78 -0.324 0.754 -2.236 636 H GLY 79 H GLY 79 -4.899 -0.040 -1.916 637 HA2 GLY 79 1HA GLY 79 -6.803 0.163 0.124 638 HA3 GLY 79 2HA GLY 79 -7.159 -0.163 -1.568 639 H GLU 80 H GLU 80 -5.655 -2.640 -1.676 640 HA GLU 80 HA GLU 80 -7.631 -4.423 -0.704 641 HB2 GLU 80 1HB GLU 80 -6.172 -4.856 -2.703 642 HB3 GLU 80 2HB GLU 80 -4.838 -5.161 -1.594 643 HG2 GLU 80 1HG GLU 80 -6.175 -6.966 -0.554 644 HG3 GLU 80 2HG GLU 80 -7.421 -6.699 -1.770 645 H VAL 81 H VAL 81 -4.376 -3.563 0.424 646 HA VAL 81 HA VAL 81 -4.239 -5.333 2.597 647 HB VAL 81 HB VAL 81 -3.045 -2.557 2.361 648 HG11 VAL 81 1HG1 VAL 81 -2.337 -4.807 4.245 649 HG12 VAL 81 2HG1 VAL 81 -3.146 -3.303 4.688 650 HG13 VAL 81 3HG1 VAL 81 -1.484 -3.270 4.101 651 HG21 VAL 81 3HG2 VAL 81 -1.833 -5.267 1.816 652 HG22 VAL 81 1HG2 VAL 81 -0.999 -3.717 1.710 653 HG23 VAL 81 2HG2 VAL 81 -2.315 -4.088 0.595 654 H PHE 82 H PHE 82 -5.471 -2.004 2.400 655 HA PHE 82 HA PHE 82 -6.304 -1.724 5.050 656 HB2 PHE 82 1HB PHE 82 -7.373 -0.549 2.485 657 HB3 PHE 82 2HB PHE 82 -8.041 -0.129 4.058 658 HD1 PHE 82 HD2 PHE 82 -6.134 0.534 5.833 659 HD2 PHE 82 HD1 PHE 82 -5.824 0.883 1.607 660 HE1 PHE 82 HE2 PHE 82 -4.409 2.265 6.108 661 HE2 PHE 82 HE1 PHE 82 -4.097 2.616 1.872 662 HZ PHE 82 HZ PHE 82 -3.389 3.308 4.123 663 H ARG 83 H ARG 83 -8.028 -3.050 2.248 664 HA ARG 83 HA ARG 83 -10.448 -3.557 3.637 665 HB2 ARG 83 1HB ARG 83 -10.278 -3.355 1.178 666 HB3 ARG 83 2HB ARG 83 -9.392 -4.872 1.130 667 HG2 ARG 83 1HG ARG 83 -11.300 -6.090 1.888 668 HG3 ARG 83 2HG ARG 83 -12.189 -4.599 2.203 669 HD2 ARG 83 1HD ARG 83 -11.273 -5.598 -0.490 670 HD3 ARG 83 2HD ARG 83 -12.926 -5.617 0.122 671 HE ARG 83 HE ARG 83 -11.528 -3.054 -0.122 672 HH11 ARG 83 1HH1 ARG 83 -14.086 -5.211 -1.160 673 HH12 ARG 83 2HH1 ARG 83 -14.910 -3.984 -2.077 674 HH21 ARG 83 1HH2 ARG 83 -12.636 -1.438 -1.315 675 HH22 ARG 83 2HH2 ARG 83 -14.103 -1.854 -2.153 676 H TYR 84 H TYR 84 -7.605 -5.524 2.911 677 HA TYR 84 HA TYR 84 -8.436 -7.968 3.955 678 HB2 TYR 84 1HB TYR 84 -6.336 -7.786 2.766 679 HB3 TYR 84 2HB TYR 84 -5.700 -6.670 3.968 680 HD1 TYR 84 HD2 TYR 84 -6.442 -10.179 3.211 681 HD2 TYR 84 HD1 TYR 84 -4.893 -7.492 6.128 682 HE1 TYR 84 HE2 TYR 84 -5.453 -12.072 4.432 683 HE2 TYR 84 HE1 TYR 84 -3.897 -9.372 7.343 684 HH TYR 84 HH TYR 84 -3.997 -11.642 7.601 685 H ALA 85 H ALA 85 -6.964 -5.184 5.551 686 HA ALA 85 HA ALA 85 -6.833 -6.283 8.130 687 HB1 ALA 85 3HB ALA 85 -7.101 -3.392 7.332 688 HB2 ALA 85 1HB ALA 85 -5.592 -4.290 7.475 689 HB3 ALA 85 2HB ALA 85 -6.575 -3.988 8.905 690 H ILE 86 H ILE 86 -9.412 -4.494 6.478 691 HA ILE 86 HA ILE 86 -11.120 -4.240 8.701 692 HB ILE 86 HB ILE 86 -11.848 -4.482 5.774 693 HG12 ILE 86 1HG1 ILE 86 -11.497 -2.042 7.537 694 HG13 ILE 86 2HG1 ILE 86 -10.342 -2.594 6.330 695 HG21 ILE 86 1HG2 ILE 86 -13.492 -3.501 8.107 696 HG22 ILE 86 2HG2 ILE 86 -13.768 -4.976 7.177 697 HG23 ILE 86 3HG2 ILE 86 -13.963 -3.399 6.410 698 HD11 ILE 86 3HD1 ILE 86 -12.017 -2.212 4.580 699 HD12 ILE 86 1HD1 ILE 86 -11.645 -0.745 5.487 700 HD13 ILE 86 2HD1 ILE 86 -13.142 -1.623 5.805 701 H VAL 87 H VAL 87 -10.817 -6.790 6.260 702 HA VAL 87 HA VAL 87 -12.920 -8.414 7.263 703 HB VAL 87 HB VAL 87 -10.537 -9.232 5.590 704 HG11 VAL 87 1HG1 VAL 87 -11.937 -11.103 4.864 705 HG12 VAL 87 2HG1 VAL 87 -13.200 -10.593 5.985 706 HG13 VAL 87 3HG1 VAL 87 -11.646 -11.152 6.603 707 HG21 VAL 87 3HG2 VAL 87 -12.030 -8.949 3.675 708 HG22 VAL 87 1HG2 VAL 87 -11.812 -7.434 4.549 709 HG23 VAL 87 2HG2 VAL 87 -13.298 -8.361 4.748 710 H THR 88 H THR 88 -9.497 -8.175 8.004 711 HA THR 88 HA THR 88 -9.546 -10.566 9.643 712 HB THR 88 HB THR 88 -7.149 -9.839 10.180 713 HG1 THR 88 HG1 THR 88 -7.411 -8.187 7.905 714 HG21 THR 88 3HG2 THR 88 -7.923 -10.366 7.312 715 HG22 THR 88 1HG2 THR 88 -7.660 -11.585 8.560 716 HG23 THR 88 2HG2 THR 88 -6.314 -10.594 7.997 717 H GLY 89 H GLY 89 -10.735 -7.601 10.090 718 HA2 GLY 89 1HA GLY 89 -11.502 -6.521 11.966 719 HA3 GLY 89 2HA GLY 89 -10.969 -7.908 12.902 720 H ARG 90 H ARG 90 -8.855 -6.040 10.865 721 HA ARG 90 HA ARG 90 -7.368 -5.192 13.254 722 HB2 ARG 90 1HB ARG 90 -6.490 -5.434 10.370 723 HB3 ARG 90 2HB ARG 90 -5.474 -4.855 11.679 724 HG2 ARG 90 1HG ARG 90 -5.712 -7.058 12.785 725 HG3 ARG 90 2HG ARG 90 -6.619 -7.623 11.377 726 HD2 ARG 90 1HD ARG 90 -4.717 -7.170 9.940 727 HD3 ARG 90 2HD ARG 90 -3.814 -6.521 11.303 728 HE ARG 90 HE ARG 90 -4.228 -9.300 10.634 729 HH11 ARG 90 1HH1 ARG 90 -3.375 -7.040 13.179 730 HH12 ARG 90 2HH1 ARG 90 -2.422 -8.191 14.053 731 HH21 ARG 90 1HH2 ARG 90 -2.927 -10.793 11.757 732 HH22 ARG 90 2HH2 ARG 90 -2.193 -10.333 13.268 733 H ALA 91 H ALA 91 -9.193 -4.020 10.560 734 HA ALA 91 HA ALA 91 -8.549 -1.270 11.366 735 HB1 ALA 91 3HB ALA 91 -7.286 -1.747 9.329 736 HB2 ALA 91 1HB ALA 91 -8.535 -0.535 9.043 737 HB3 ALA 91 2HB ALA 91 -8.779 -2.198 8.505 738 H LYS 92 H LYS 92 -10.172 0.281 10.863 739 HA LYS 92 HA LYS 92 -12.869 -0.902 10.754 740 HB2 LYS 92 1HB LYS 92 -12.086 1.808 11.845 741 HB3 LYS 92 2HB LYS 92 -13.638 1.004 12.016 742 HG2 LYS 92 1HG LYS 92 -12.724 -0.620 13.495 743 HG3 LYS 92 2HG LYS 92 -11.078 -0.068 13.173 744 HD2 LYS 92 1HD LYS 92 -11.707 2.146 14.132 745 HD3 LYS 92 2HD LYS 92 -13.263 1.453 14.590 746 HE2 LYS 92 1HE LYS 92 -12.164 -0.162 16.017 747 HE3 LYS 92 2HE LYS 92 -10.582 0.411 15.488 748 HZ1 LYS 92 3HZ LYS 92 -10.990 2.519 16.517 749 HZ2 LYS 92 1HZ LYS 92 -11.260 1.298 17.667 750 HZ3 LYS 92 2HZ LYS 92 -12.575 2.079 16.929 751 H TYR 93 H TYR 93 -11.331 2.221 10.068 752 HA TYR 93 HA TYR 93 -12.895 2.397 7.581 753 HB2 TYR 93 1HB TYR 93 -13.455 4.091 9.327 754 HB3 TYR 93 2HB TYR 93 -11.790 4.652 9.279 755 HD1 TYR 93 HD1 TYR 93 -10.963 5.933 7.359 756 HD2 TYR 93 HD2 TYR 93 -15.009 4.639 7.568 757 HE1 TYR 93 HE1 TYR 93 -11.557 7.526 5.582 758 HE2 TYR 93 HE2 TYR 93 -15.615 6.220 5.787 759 HH TYR 93 HH TYR 93 -14.636 8.477 4.953 760 H ASN 94 H ASN 94 -11.764 2.533 5.727 761 HA ASN 94 HA ASN 94 -8.858 2.812 5.945 762 HB2 ASN 94 1HB ASN 94 -8.768 1.781 3.702 763 HB3 ASN 94 2HB ASN 94 -9.565 0.750 4.879 764 HD21 ASN 94 2HD2 ASN 94 -9.716 0.759 1.971 765 HD22 ASN 94 1HD2 ASN 94 -11.391 0.934 1.577 766 HA PRO 95 HA PRO 95 -9.262 6.867 4.250 767 HB2 PRO 95 1HB PRO 95 -6.398 6.837 3.748 768 HB3 PRO 95 2HB PRO 95 -7.306 7.750 4.952 769 HG2 PRO 95 1HG PRO 95 -5.627 5.712 5.584 770 HG3 PRO 95 2HG PRO 95 -7.042 6.149 6.559 771 HD2 PRO 95 1HD PRO 95 -6.709 3.920 4.588 772 HD3 PRO 95 2HD PRO 95 -7.552 3.928 6.152 773 H ALA 96 H ALA 96 -9.457 4.495 2.400 774 HA ALA 96 HA ALA 96 -7.972 5.009 0.062 775 HB1 ALA 96 3HB ALA 96 -10.634 3.623 0.361 776 HB2 ALA 96 1HB ALA 96 -9.042 2.866 0.436 777 HB3 ALA 96 2HB ALA 96 -9.609 3.576 -1.075 778 HA PRO 97 HA PRO 97 -11.922 7.614 -1.353 779 HB2 PRO 97 1HB PRO 97 -12.743 8.518 1.360 780 HB3 PRO 97 2HB PRO 97 -13.738 8.157 -0.055 781 HG2 PRO 97 1HG PRO 97 -13.645 6.466 1.990 782 HG3 PRO 97 2HG PRO 97 -13.671 5.867 0.320 783 HD2 PRO 97 1HD PRO 97 -11.376 6.079 2.222 784 HD3 PRO 97 2HD PRO 97 -11.759 4.798 1.053 785 H ASP 98 H ASP 98 -10.189 8.435 1.638 786 HA ASP 98 HA ASP 98 -9.856 11.183 1.049 787 HB2 ASP 98 1HB ASP 98 -8.576 9.282 2.970 788 HB3 ASP 98 2HB ASP 98 -7.834 10.857 2.706 789 H LEU 99 H LEU 99 -7.862 8.338 0.477 790 HA LEU 99 HA LEU 99 -5.591 9.527 -0.575 791 HB2 LEU 99 1HB LEU 99 -5.809 7.136 -0.078 792 HB3 LEU 99 2HB LEU 99 -6.947 6.951 -1.391 793 HG LEU 99 HG LEU 99 -4.531 6.145 -1.733 794 HD11 LEU 99 1HD1 LEU 99 -6.123 6.246 -3.545 795 HD12 LEU 99 2HD1 LEU 99 -4.539 6.796 -4.096 796 HD13 LEU 99 3HD1 LEU 99 -5.812 7.969 -3.756 797 HD21 LEU 99 3HD2 LEU 99 -3.399 8.113 -0.875 798 HD22 LEU 99 1HD2 LEU 99 -4.124 9.102 -2.141 799 HD23 LEU 99 2HD2 LEU 99 -2.973 7.834 -2.563 800 H ALA 100 H ALA 100 -8.571 8.563 -2.247 801 HA ALA 100 HA ALA 100 -7.758 9.371 -4.822 802 HB1 ALA 100 3HB ALA 100 -10.108 9.170 -5.426 803 HB2 ALA 100 1HB ALA 100 -10.556 9.135 -3.721 804 HB3 ALA 100 2HB ALA 100 -9.612 7.816 -4.411 805 H ASP 101 H ASP 101 -9.514 11.056 -2.252 806 HA ASP 101 HA ASP 101 -10.184 13.298 -3.870 807 HB2 ASP 101 1HB ASP 101 -11.381 12.555 -1.754 808 HB3 ASP 101 2HB ASP 101 -10.059 13.302 -0.858 809 H ALA 102 H ALA 102 -7.694 12.715 -1.430 810 HA ALA 102 HA ALA 102 -6.561 15.298 -1.485 811 HB1 ALA 102 3HB ALA 102 -6.113 13.730 0.327 812 HB2 ALA 102 1HB ALA 102 -4.610 14.278 -0.417 813 HB3 ALA 102 2HB ALA 102 -5.245 12.676 -0.789 814 H MET 103 H MET 103 -5.928 12.382 -3.356 815 HA MET 103 HA MET 103 -3.657 13.221 -4.745 816 HB2 MET 103 1HB MET 103 -4.514 10.917 -4.804 817 HB3 MET 103 2HB MET 103 -5.913 11.459 -5.721 818 HG2 MET 103 1HG MET 103 -4.394 12.186 -7.528 819 HG3 MET 103 2HG MET 103 -3.042 11.515 -6.616 820 HE1 MET 103 3HE MET 103 -3.828 7.704 -6.611 821 HE2 MET 103 1HE MET 103 -4.509 8.805 -5.410 822 HE3 MET 103 2HE MET 103 -2.847 9.016 -5.953 823 H LYS 104 H LYS 104 -7.078 13.680 -5.429 824 HA LYS 104 HA LYS 104 -6.721 14.992 -7.923 825 HB2 LYS 104 1HB LYS 104 -8.811 13.844 -7.179 826 HB3 LYS 104 2HB LYS 104 -9.077 15.151 -6.036 827 HG2 LYS 104 1HG LYS 104 -10.439 15.496 -7.977 828 HG3 LYS 104 2HG LYS 104 -9.182 16.735 -7.921 829 HD2 LYS 104 1HD LYS 104 -7.916 15.637 -9.618 830 HD3 LYS 104 2HD LYS 104 -8.943 14.202 -9.538 831 HE2 LYS 104 1HE LYS 104 -9.804 16.947 -10.450 832 HE3 LYS 104 2HE LYS 104 -9.458 15.573 -11.500 833 HZ1 LYS 104 3HZ LYS 104 -11.828 15.825 -11.128 834 HZ2 LYS 104 1HZ LYS 104 -11.608 15.693 -9.455 835 HZ3 LYS 104 2HZ LYS 104 -11.279 14.368 -10.457 836 H GLY 105 H GLY 105 -7.156 16.106 -4.606 837 HA2 GLY 105 1HA GLY 105 -7.425 18.865 -5.294 838 HA3 GLY 105 2HA GLY 105 -7.169 18.215 -3.684 839 H TYR 106 H TYR 106 -4.723 16.867 -4.222 840 HA TYR 106 HA TYR 106 -2.926 18.886 -3.572 841 HB2 TYR 106 1HB TYR 106 -2.510 16.560 -2.996 842 HB3 TYR 106 2HB TYR 106 -2.368 16.134 -4.698 843 HD1 TYR 106 HD1 TYR 106 -0.768 17.971 -1.929 844 HD2 TYR 106 HD2 TYR 106 -0.327 16.471 -5.883 845 HE1 TYR 106 HE1 TYR 106 1.642 18.450 -1.838 846 HE2 TYR 106 HE2 TYR 106 2.084 16.941 -5.802 847 HH TYR 106 HH TYR 106 3.705 17.781 -2.892 848 H ARG 107 H ARG 107 -3.641 17.447 -6.711 849 HA ARG 107 HA ARG 107 -1.352 18.487 -8.022 850 HB2 ARG 107 1HB ARG 107 -3.958 17.611 -9.268 851 HB3 ARG 107 2HB ARG 107 -2.416 17.789 -10.094 852 HG2 ARG 107 1HG ARG 107 -1.509 16.014 -8.573 853 HG3 ARG 107 2HG ARG 107 -3.161 15.757 -8.009 854 HD2 ARG 107 1HD ARG 107 -3.769 15.437 -10.466 855 HD3 ARG 107 2HD ARG 107 -2.034 15.317 -10.760 856 HE ARG 107 HE ARG 107 -3.704 13.424 -9.278 857 HH11 ARG 107 1HH1 ARG 107 -0.559 14.271 -10.585 858 HH12 ARG 107 2HH1 ARG 107 0.109 12.683 -10.334 859 HH21 ARG 107 1HH2 ARG 107 -2.795 11.352 -8.935 860 HH22 ARG 107 2HH2 ARG 107 -1.129 11.057 -9.347 861 H LYS 108 H LYS 108 -4.204 20.009 -6.999 862 HA LYS 108 HA LYS 108 -4.413 21.902 -9.149 863 HB2 LYS 108 1HB LYS 108 -5.552 22.092 -6.358 864 HB3 LYS 108 2HB LYS 108 -6.037 23.049 -7.749 865 HG2 LYS 108 1HG LYS 108 -6.803 20.969 -8.849 866 HG3 LYS 108 2HG LYS 108 -6.418 20.091 -7.369 867 HD2 LYS 108 1HD LYS 108 -8.391 22.366 -7.595 868 HD3 LYS 108 2HD LYS 108 -8.809 20.657 -7.520 869 HE2 LYS 108 1HE LYS 108 -9.123 21.422 -5.334 870 HE3 LYS 108 2HE LYS 108 -7.551 20.631 -5.294 871 HZ1 LYS 108 3HZ LYS 108 -7.925 23.563 -5.610 872 HZ2 LYS 108 1HZ LYS 108 -6.463 22.743 -5.352 873 HZ3 LYS 108 2HZ LYS 108 -7.632 22.800 -4.127 874 H LYS 109 H LYS 109 -2.415 21.600 -6.393 875 HA LYS 109 HA LYS 109 -1.889 24.452 -6.210 876 HB2 LYS 109 1HB LYS 109 -1.924 22.969 -4.186 877 HB3 LYS 109 2HB LYS 109 -0.469 22.189 -4.791 878 HG2 LYS 109 1HG LYS 109 0.786 24.215 -4.582 879 HG3 LYS 109 2HG LYS 109 -0.667 25.132 -4.194 880 HD2 LYS 109 1HD LYS 109 0.404 24.791 -2.135 881 HD3 LYS 109 2HD LYS 109 -0.901 23.609 -2.170 882 HE2 LYS 109 1HE LYS 109 1.957 23.000 -2.909 883 HE3 LYS 109 2HE LYS 109 1.281 22.747 -1.303 884 HZ1 LYS 109 3HZ LYS 109 1.166 20.693 -2.384 885 HZ2 LYS 109 1HZ LYS 109 0.571 21.369 -3.821 886 HZ3 LYS 109 2HZ LYS 109 -0.419 21.300 -2.445 887 H ASN 110 H ASN 110 -1.007 22.081 -8.279 888 HA ASN 110 HA ASN 110 1.578 23.371 -8.836 889 HB2 ASN 110 1HB ASN 110 1.641 20.885 -8.466 890 HB3 ASN 110 2HB ASN 110 0.614 20.703 -9.887 891 HD21 ASN 110 2HD2 ASN 110 2.095 19.610 -11.114 892 HD22 ASN 110 1HD2 ASN 110 3.543 20.333 -11.717 893 H LEU 111 H LEU 111 1.237 24.972 -10.217 894 HA LEU 111 HA LEU 111 -0.995 25.007 -12.006 895 HB2 LEU 111 1HB LEU 111 -0.077 27.038 -10.941 896 HB3 LEU 111 2HB LEU 111 1.396 26.843 -11.873 897 HG LEU 111 HG LEU 111 0.060 27.119 -13.955 898 HD11 LEU 111 1HD1 LEU 111 -2.153 27.786 -12.022 899 HD12 LEU 111 2HD1 LEU 111 -2.102 26.410 -13.128 900 HD13 LEU 111 3HD1 LEU 111 -2.202 28.053 -13.765 901 HD21 LEU 111 3HD2 LEU 111 -0.121 29.373 -11.962 902 HD22 LEU 111 1HD2 LEU 111 -0.249 29.535 -13.713 903 HD23 LEU 111 2HD2 LEU 111 1.266 28.999 -12.986 904 H GLU 112 H GLU 112 2.516 24.747 -12.438 905 HA GLU 112 HA GLU 112 2.074 24.115 -15.268 906 HB2 GLU 112 1HB GLU 112 4.649 24.830 -13.844 907 HB3 GLU 112 2HB GLU 112 4.434 24.645 -15.582 908 HG2 GLU 112 1HG GLU 112 2.939 26.558 -15.625 909 HG3 GLU 112 2HG GLU 112 3.079 26.724 -13.876 910 H HIS 113 H HIS 113 2.398 22.095 -16.004 911 HA HIS 113 HA HIS 113 2.678 19.978 -14.140 912 HB2 HIS 113 1HB HIS 113 2.780 19.973 -17.161 913 HB3 HIS 113 2HB HIS 113 2.783 18.510 -16.179 914 HD1 HIS 113 HD1 HIS 113 0.504 18.399 -17.891 915 HD2 HIS 113 HD2 HIS 113 0.376 20.755 -14.463 916 HE1 HIS 113 HE1 HIS 113 -1.936 18.750 -17.392 917 HE2 HIS 113 HE2 HIS 113 -1.978 20.374 -15.465 918 H HIS 114 H HIS 114 4.924 21.659 -16.189 919 HA HIS 114 HA HIS 114 7.085 20.094 -14.954 920 HB2 HIS 114 1HB HIS 114 7.037 21.755 -17.472 921 HB3 HIS 114 2HB HIS 114 8.545 21.309 -16.681 922 HD1 HIS 114 HD1 HIS 114 9.477 19.043 -17.201 923 HD2 HIS 114 HD2 HIS 114 5.506 19.455 -18.383 924 HE1 HIS 114 HE1 HIS 114 8.929 16.955 -18.498 925 HE2 HIS 114 HE2 HIS 114 6.589 17.322 -19.369 926 H HIS 115 H HIS 115 7.415 21.011 -13.061 927 HA HIS 115 HA HIS 115 6.912 23.702 -12.427 928 HB2 HIS 115 1HB HIS 115 7.143 21.625 -10.882 929 HB3 HIS 115 2HB HIS 115 8.865 21.983 -10.912 930 HD1 HIS 115 HD1 HIS 115 7.458 22.096 -8.254 931 HD2 HIS 115 HD2 HIS 115 7.779 25.390 -10.782 932 HE1 HIS 115 HE1 HIS 115 7.144 24.118 -6.788 933 HE2 HIS 115 HE2 HIS 115 7.165 26.082 -8.363 934 H HIS 116 H HIS 116 9.824 21.963 -13.371 935 HA HIS 116 HA HIS 116 11.454 24.347 -13.293 936 HB2 HIS 116 1HB HIS 116 12.453 22.124 -12.882 937 HB3 HIS 116 2HB HIS 116 12.024 21.634 -14.517 938 HD1 HIS 116 HD1 HIS 116 14.316 23.979 -12.667 939 HD2 HIS 116 HD2 HIS 116 13.794 22.426 -16.484 940 HE1 HIS 116 HE1 HIS 116 16.337 24.703 -13.975 941 HE2 HIS 116 HE2 HIS 116 15.862 23.976 -16.337 942 H HIS 117 H HIS 117 11.780 25.738 -14.917 943 HA HIS 117 HA HIS 117 10.068 25.474 -17.235 944 HB2 HIS 117 1HB HIS 117 11.824 27.689 -16.193 945 HB3 HIS 117 2HB HIS 117 11.055 27.780 -17.775 946 HD1 HIS 117 HD1 HIS 117 9.438 29.650 -17.232 947 HD2 HIS 117 HD2 HIS 117 9.132 26.421 -14.630 948 HE1 HIS 117 HE1 HIS 117 7.384 30.083 -15.849 949 HE2 HIS 117 HE2 HIS 117 7.071 27.981 -14.491 950 H HIS 118 H HIS 118 10.806 25.748 -19.405 951 HA HIS 118 HA HIS 118 13.287 24.262 -19.820 952 HB2 HIS 118 1HB HIS 118 11.173 25.006 -21.853 953 HB3 HIS 118 2HB HIS 118 12.487 23.858 -22.075 954 HD1 HIS 118 HD1 HIS 118 12.174 21.495 -21.118 955 HD2 HIS 118 HD2 HIS 118 9.003 24.071 -20.337 956 HE1 HIS 118 HE1 HIS 118 10.303 20.039 -20.266 957 HE2 HIS 118 HE2 HIS 118 8.336 21.598 -20.018 Start of MODEL 6 1 H1 SER 1 1H SER 1 1.494 -14.772 10.966 2 H2 SER 1 2H SER 1 0.326 -13.988 10.019 3 H3 SER 1 3H SER 1 0.088 -15.599 10.516 4 HA SER 1 HA SER 1 -1.248 -14.136 11.832 5 HB2 SER 1 1HB SER 1 -0.104 -14.713 14.101 6 HB3 SER 1 2HB SER 1 -0.615 -16.031 13.047 7 HG SER 1 HG SER 1 1.683 -15.914 14.008 8 H SER 2 H SER 2 -1.289 -11.959 11.581 9 HA SER 2 HA SER 2 0.939 -10.359 12.575 10 HB2 SER 2 1HB SER 2 -0.401 -8.455 11.604 11 HB3 SER 2 2HB SER 2 0.081 -9.681 10.428 12 HG SER 2 HG SER 2 -2.428 -9.695 11.744 13 H ASN 3 H ASN 3 0.932 -9.718 14.629 14 HA ASN 3 HA ASN 3 -1.649 -9.559 16.033 15 HB2 ASN 3 1HB ASN 3 -0.420 -9.881 18.106 16 HB3 ASN 3 2HB ASN 3 -0.020 -11.163 16.973 17 HD21 ASN 3 2HD2 ASN 3 1.463 -10.253 19.271 18 HD22 ASN 3 1HD2 ASN 3 3.017 -9.755 18.697 19 H ASN 4 H ASN 4 0.728 -7.670 14.654 20 HA ASN 4 HA ASN 4 0.361 -5.406 16.462 21 HB2 ASN 4 1HB ASN 4 2.048 -5.846 14.005 22 HB3 ASN 4 2HB ASN 4 1.817 -4.240 14.679 23 HD21 ASN 4 2HD2 ASN 4 2.045 -7.129 16.653 24 HD22 ASN 4 1HD2 ASN 4 3.581 -6.752 17.345 25 H ASN 5 H ASN 5 -0.246 -3.272 15.488 26 HA ASN 5 HA ASN 5 -2.359 -3.645 13.467 27 HB2 ASN 5 1HB ASN 5 -2.034 -1.469 15.545 28 HB3 ASN 5 2HB ASN 5 -3.306 -1.515 14.332 29 HD21 ASN 5 2HD2 ASN 5 -3.570 -4.442 14.560 30 HD22 ASN 5 1HD2 ASN 5 -4.423 -4.711 16.038 31 H SER 6 H SER 6 0.712 -2.901 13.508 32 HA SER 6 HA SER 6 0.789 -0.374 12.163 33 HB2 SER 6 1HB SER 6 2.967 -2.468 12.285 34 HB3 SER 6 2HB SER 6 3.156 -0.729 12.048 35 HG SER 6 HG SER 6 1.934 -0.776 14.255 36 H PHE 7 H PHE 7 1.494 -0.049 9.972 37 HA PHE 7 HA PHE 7 -0.020 -1.538 8.150 38 HB2 PHE 7 1HB PHE 7 0.720 0.846 7.869 39 HB3 PHE 7 2HB PHE 7 2.325 0.244 7.468 40 HD1 PHE 7 HD1 PHE 7 -1.133 0.581 6.343 41 HD2 PHE 7 HD2 PHE 7 2.750 -0.851 5.350 42 HE1 PHE 7 HE1 PHE 7 -1.822 0.360 3.989 43 HE2 PHE 7 HE2 PHE 7 2.071 -1.078 2.997 44 HZ PHE 7 HZ PHE 7 -0.218 -0.471 2.314 45 H SER 8 H SER 8 3.485 -1.575 8.768 46 HA SER 8 HA SER 8 4.183 -3.347 6.717 47 HB2 SER 8 1HB SER 8 5.522 -2.914 9.397 48 HB3 SER 8 2HB SER 8 6.242 -3.775 8.036 49 HG SER 8 HG SER 8 5.526 -1.034 8.198 50 H ALA 9 H ALA 9 2.999 -3.967 9.971 51 HA ALA 9 HA ALA 9 3.588 -6.720 10.075 52 HB1 ALA 9 3HB ALA 9 1.962 -6.821 11.890 53 HB2 ALA 9 1HB ALA 9 1.362 -5.221 11.451 54 HB3 ALA 9 2HB ALA 9 3.007 -5.409 12.058 55 H ILE 10 H ILE 10 0.602 -5.008 9.173 56 HA ILE 10 HA ILE 10 -0.759 -7.420 8.467 57 HB ILE 10 HB ILE 10 -1.464 -4.569 7.750 58 HG12 ILE 10 1HG1 ILE 10 -2.347 -6.313 10.063 59 HG13 ILE 10 2HG1 ILE 10 -1.260 -4.933 10.177 60 HG21 ILE 10 1HG2 ILE 10 -3.154 -7.070 7.778 61 HG22 ILE 10 2HG2 ILE 10 -2.605 -6.206 6.342 62 HG23 ILE 10 3HG2 ILE 10 -3.738 -5.436 7.455 63 HD11 ILE 10 3HD1 ILE 10 -4.156 -4.849 9.372 64 HD12 ILE 10 1HD1 ILE 10 -3.071 -3.462 9.455 65 HD13 ILE 10 2HD1 ILE 10 -3.481 -4.349 10.922 66 H TYR 11 H TYR 11 1.129 -5.023 6.742 67 HA TYR 11 HA TYR 11 0.664 -5.914 4.115 68 HB2 TYR 11 1HB TYR 11 1.848 -3.988 3.951 69 HB3 TYR 11 2HB TYR 11 2.640 -4.231 5.500 70 HD1 TYR 11 HD1 TYR 11 2.792 -5.136 1.895 71 HD2 TYR 11 HD2 TYR 11 4.856 -5.005 5.615 72 HE1 TYR 11 HE1 TYR 11 4.901 -5.666 0.743 73 HE2 TYR 11 HE2 TYR 11 6.964 -5.536 4.474 74 HH TYR 11 HH TYR 11 7.383 -5.312 1.182 75 H LYS 12 H LYS 12 2.902 -6.983 6.613 76 HA LYS 12 HA LYS 12 4.281 -8.879 5.015 77 HB2 LYS 12 1HB LYS 12 5.109 -7.889 7.158 78 HB3 LYS 12 2HB LYS 12 3.915 -8.853 8.015 79 HG2 LYS 12 1HG LYS 12 4.989 -10.894 7.251 80 HG3 LYS 12 2HG LYS 12 6.168 -9.945 6.340 81 HD2 LYS 12 1HD LYS 12 6.927 -8.904 8.429 82 HD3 LYS 12 2HD LYS 12 5.768 -9.882 9.330 83 HE2 LYS 12 1HE LYS 12 6.900 -11.916 8.561 84 HE3 LYS 12 2HE LYS 12 8.067 -10.927 7.682 85 HZ1 LYS 12 3HZ LYS 12 8.768 -9.949 9.779 86 HZ2 LYS 12 1HZ LYS 12 8.940 -11.635 9.823 87 HZ3 LYS 12 2HZ LYS 12 7.644 -10.894 10.625 88 H GLU 13 H GLU 13 1.545 -9.084 7.251 89 HA GLU 13 HA GLU 13 1.018 -11.828 7.072 90 HB2 GLU 13 1HB GLU 13 -0.050 -10.277 8.683 91 HB3 GLU 13 2HB GLU 13 -0.940 -9.534 7.364 92 HG2 GLU 13 1HG GLU 13 -2.426 -10.993 8.464 93 HG3 GLU 13 2HG GLU 13 -1.995 -11.761 6.938 94 H TRP 14 H TRP 14 -0.164 -9.115 5.153 95 HA TRP 14 HA TRP 14 -1.760 -10.513 3.333 96 HB2 TRP 14 1HB TRP 14 -1.955 -8.142 3.513 97 HB3 TRP 14 2HB TRP 14 -0.248 -7.908 3.169 98 HD1 TRP 14 HD1 TRP 14 -3.384 -9.241 1.284 99 HE1 TRP 14 HE1 TRP 14 -3.195 -8.458 -1.172 100 HE3 TRP 14 HE3 TRP 14 1.181 -6.947 1.516 101 HZ2 TRP 14 HZ2 TRP 14 -1.341 -7.067 -2.782 102 HZ3 TRP 14 HZ3 TRP 14 2.090 -5.913 -0.522 103 HH2 TRP 14 HH2 TRP 14 0.854 -5.974 -2.626 104 H TYR 15 H TYR 15 1.610 -9.394 2.980 105 HA TYR 15 HA TYR 15 2.149 -10.523 0.496 106 HB2 TYR 15 1HB TYR 15 3.748 -9.004 1.287 107 HB3 TYR 15 2HB TYR 15 3.875 -9.803 2.849 108 HD1 TYR 15 HD1 TYR 15 4.536 -10.500 -0.774 109 HD2 TYR 15 HD2 TYR 15 5.732 -11.093 3.268 110 HE1 TYR 15 HE1 TYR 15 6.521 -11.729 -1.545 111 HE2 TYR 15 HE2 TYR 15 7.719 -12.324 2.507 112 HH TYR 15 HH TYR 15 8.724 -12.346 -0.771 113 H GLU 16 H GLU 16 2.566 -11.929 3.727 114 HA GLU 16 HA GLU 16 3.887 -14.269 3.055 115 HB2 GLU 16 1HB GLU 16 3.217 -13.262 5.362 116 HB3 GLU 16 2HB GLU 16 1.754 -14.215 5.174 117 HG2 GLU 16 1HG GLU 16 4.561 -15.301 5.201 118 HG3 GLU 16 2HG GLU 16 3.435 -15.332 6.553 119 H HIS 17 H HIS 17 0.398 -13.657 3.181 120 HA HIS 17 HA HIS 17 -0.185 -16.383 2.412 121 HB2 HIS 17 1HB HIS 17 -2.060 -14.034 2.759 122 HB3 HIS 17 2HB HIS 17 -2.536 -15.721 2.590 123 HD1 HIS 17 HD1 HIS 17 -0.065 -16.546 4.659 124 HD2 HIS 17 HD2 HIS 17 -3.282 -13.991 5.302 125 HE1 HIS 17 HE1 HIS 17 -0.385 -16.473 7.143 126 HE2 HIS 17 HE2 HIS 17 -2.142 -14.705 7.512 127 H LYS 18 H LYS 18 -0.230 -13.191 0.924 128 HA LYS 18 HA LYS 18 -1.676 -13.997 -1.401 129 HB2 LYS 18 1HB LYS 18 -1.472 -11.645 -0.447 130 HB3 LYS 18 2HB LYS 18 0.131 -11.593 -1.167 131 HG2 LYS 18 1HG LYS 18 -1.358 -10.497 -2.649 132 HG3 LYS 18 2HG LYS 18 -0.941 -12.048 -3.379 133 HD2 LYS 18 1HD LYS 18 -3.041 -12.998 -2.681 134 HD3 LYS 18 2HD LYS 18 -3.446 -11.534 -1.783 135 HE2 LYS 18 1HE LYS 18 -4.651 -11.469 -3.836 136 HE3 LYS 18 2HE LYS 18 -3.355 -10.280 -3.940 137 HZ1 LYS 18 3HZ LYS 18 -3.527 -12.921 -5.262 138 HZ2 LYS 18 1HZ LYS 18 -2.059 -12.084 -5.126 139 HZ3 LYS 18 2HZ LYS 18 -3.350 -11.399 -5.978 140 H LYS 19 H LYS 19 1.637 -14.188 -0.461 141 HA LYS 19 HA LYS 19 2.812 -14.192 -3.047 142 HB2 LYS 19 1HB LYS 19 4.818 -14.758 -2.001 143 HB3 LYS 19 2HB LYS 19 3.951 -13.882 -0.748 144 HG2 LYS 19 1HG LYS 19 3.220 -16.106 0.159 145 HG3 LYS 19 2HG LYS 19 4.339 -16.854 -0.981 146 HD2 LYS 19 1HD LYS 19 6.117 -15.327 0.051 147 HD3 LYS 19 2HD LYS 19 4.951 -15.060 1.348 148 HE2 LYS 19 1HE LYS 19 6.237 -17.647 0.508 149 HE3 LYS 19 2HE LYS 19 6.377 -16.818 2.057 150 HZ1 LYS 19 3HZ LYS 19 3.876 -18.016 0.999 151 HZ2 LYS 19 1HZ LYS 19 4.080 -17.316 2.532 152 HZ3 LYS 19 2HZ LYS 19 4.892 -18.752 2.134 153 H GLN 20 H GLN 20 0.866 -16.444 -1.452 154 HA GLN 20 HA GLN 20 1.907 -18.803 -2.720 155 HB2 GLN 20 1HB GLN 20 -0.720 -18.274 -1.320 156 HB3 GLN 20 2HB GLN 20 -0.211 -19.851 -1.910 157 HG2 GLN 20 1HG GLN 20 1.739 -19.759 -0.421 158 HG3 GLN 20 2HG GLN 20 1.173 -18.209 0.198 159 HE21 GLN 20 2HE2 GLN 20 1.621 -20.792 1.530 160 HE22 GLN 20 1HE2 GLN 20 0.121 -21.181 2.302 161 H VAL 21 H VAL 21 -0.329 -16.294 -3.505 162 HA VAL 21 HA VAL 21 -1.506 -17.753 -5.724 163 HB VAL 21 HB VAL 21 -1.838 -14.830 -5.022 164 HG11 VAL 21 1HG1 VAL 21 -3.513 -16.690 -6.703 165 HG12 VAL 21 2HG1 VAL 21 -2.494 -15.379 -7.297 166 HG13 VAL 21 3HG1 VAL 21 -3.913 -15.016 -6.316 167 HG21 VAL 21 3HG2 VAL 21 -3.928 -15.494 -3.914 168 HG22 VAL 21 1HG2 VAL 21 -2.511 -16.189 -3.124 169 HG23 VAL 21 2HG2 VAL 21 -3.516 -17.190 -4.173 170 H TRP 22 H TRP 22 0.963 -15.385 -5.097 171 HA TRP 22 HA TRP 22 1.437 -14.974 -7.950 172 HB2 TRP 22 1HB TRP 22 2.808 -13.771 -5.533 173 HB3 TRP 22 2HB TRP 22 3.156 -13.355 -7.204 174 HD1 TRP 22 HD1 TRP 22 -0.018 -13.200 -8.067 175 HE1 TRP 22 HE1 TRP 22 -1.325 -11.096 -7.366 176 HE3 TRP 22 HE3 TRP 22 3.013 -11.598 -4.270 177 HZ2 TRP 22 HZ2 TRP 22 -1.094 -9.032 -5.458 178 HZ3 TRP 22 HZ3 TRP 22 2.401 -9.542 -3.061 179 HH2 TRP 22 HH2 TRP 22 0.388 -8.290 -3.642 180 H SER 23 H SER 23 3.890 -14.931 -8.490 181 HA SER 23 HA SER 23 5.124 -17.397 -7.595 182 HB2 SER 23 1HB SER 23 6.110 -15.300 -9.551 183 HB3 SER 23 2HB SER 23 6.829 -16.891 -9.288 184 HG SER 23 HG SER 23 4.673 -17.726 -9.881 185 H VAL 24 H VAL 24 7.103 -17.473 -6.460 186 HA VAL 24 HA VAL 24 7.192 -15.650 -4.331 187 HB VAL 24 HB VAL 24 7.997 -17.951 -4.120 188 HG11 VAL 24 1HG1 VAL 24 9.090 -18.251 -6.251 189 HG12 VAL 24 2HG1 VAL 24 10.236 -18.571 -4.950 190 HG13 VAL 24 3HG1 VAL 24 10.305 -17.044 -5.831 191 HG21 VAL 24 3HG2 VAL 24 8.728 -16.317 -2.486 192 HG22 VAL 24 1HG2 VAL 24 10.107 -15.890 -3.500 193 HG23 VAL 24 2HG2 VAL 24 10.003 -17.499 -2.784 194 H GLY 25 H GLY 25 9.009 -15.740 -7.342 195 HA2 GLY 25 1HA GLY 25 10.992 -13.854 -6.683 196 HA3 GLY 25 2HA GLY 25 10.413 -14.200 -8.307 197 H TYR 26 H TYR 26 7.921 -13.350 -8.432 198 HA TYR 26 HA TYR 26 8.176 -10.525 -8.428 199 HB2 TYR 26 1HB TYR 26 6.792 -11.659 -10.095 200 HB3 TYR 26 2HB TYR 26 5.706 -12.228 -8.830 201 HD1 TYR 26 HD1 TYR 26 7.132 -9.035 -10.138 202 HD2 TYR 26 HD2 TYR 26 3.774 -11.004 -8.422 203 HE1 TYR 26 HE1 TYR 26 5.823 -6.966 -10.341 204 HE2 TYR 26 HE2 TYR 26 2.454 -8.937 -8.622 205 HH TYR 26 HH TYR 26 3.539 -6.223 -10.441 206 H ALA 27 H ALA 27 6.637 -12.823 -6.257 207 HA ALA 27 HA ALA 27 5.136 -11.043 -4.718 208 HB1 ALA 27 3HB ALA 27 4.959 -13.481 -4.528 209 HB2 ALA 27 1HB ALA 27 5.222 -12.723 -2.958 210 HB3 ALA 27 2HB ALA 27 6.555 -13.536 -3.779 211 H THR 28 H THR 28 8.485 -12.151 -4.264 212 HA THR 28 HA THR 28 8.972 -10.449 -2.039 213 HB THR 28 HB THR 28 11.073 -11.627 -3.863 214 HG1 THR 28 HG1 THR 28 9.996 -13.417 -3.290 215 HG21 THR 28 3HG2 THR 28 11.063 -10.948 -0.915 216 HG22 THR 28 1HG2 THR 28 11.883 -10.034 -2.181 217 HG23 THR 28 2HG2 THR 28 12.406 -11.675 -1.797 218 H GLU 29 H GLU 29 9.314 -10.107 -5.510 219 HA GLU 29 HA GLU 29 10.850 -7.732 -5.522 220 HB2 GLU 29 1HB GLU 29 10.598 -9.088 -7.524 221 HB3 GLU 29 2HB GLU 29 8.862 -8.812 -7.525 222 HG2 GLU 29 1HG GLU 29 9.152 -6.511 -8.064 223 HG3 GLU 29 2HG GLU 29 10.896 -6.622 -7.827 224 H LEU 30 H LEU 30 7.357 -8.313 -5.668 225 HA LEU 30 HA LEU 30 6.565 -5.610 -5.626 226 HB2 LEU 30 1HB LEU 30 5.096 -7.477 -6.281 227 HB3 LEU 30 2HB LEU 30 5.112 -8.068 -4.634 228 HG LEU 30 HG LEU 30 4.108 -5.300 -5.118 229 HD11 LEU 30 1HD1 LEU 30 3.023 -6.627 -6.864 230 HD12 LEU 30 2HD1 LEU 30 1.878 -6.155 -5.609 231 HD13 LEU 30 3HD1 LEU 30 2.510 -7.801 -5.653 232 HD21 LEU 30 3HD2 LEU 30 3.280 -7.534 -3.268 233 HD22 LEU 30 1HD2 LEU 30 2.619 -5.899 -3.277 234 HD23 LEU 30 2HD2 LEU 30 4.305 -6.166 -2.840 235 H ALA 31 H ALA 31 7.236 -7.959 -3.087 236 HA ALA 31 HA ALA 31 6.483 -6.391 -0.882 237 HB1 ALA 31 3HB ALA 31 6.946 -8.796 -0.733 238 HB2 ALA 31 1HB ALA 31 7.879 -7.874 0.446 239 HB3 ALA 31 2HB ALA 31 8.657 -8.479 -1.017 240 H LYS 32 H LYS 32 9.584 -6.702 -2.582 241 HA LYS 32 HA LYS 32 11.003 -4.900 -0.913 242 HB2 LYS 32 1HB LYS 32 12.071 -6.587 -2.399 243 HB3 LYS 32 2HB LYS 32 11.573 -5.639 -3.793 244 HG2 LYS 32 1HG LYS 32 12.936 -3.764 -2.990 245 HG3 LYS 32 2HG LYS 32 13.453 -4.746 -1.620 246 HD2 LYS 32 1HD LYS 32 14.446 -6.369 -3.167 247 HD3 LYS 32 2HD LYS 32 13.942 -5.368 -4.530 248 HE2 LYS 32 1HE LYS 32 16.247 -4.916 -4.084 249 HE3 LYS 32 2HE LYS 32 15.301 -3.512 -3.594 250 HZ1 LYS 32 3HZ LYS 32 16.696 -3.783 -1.813 251 HZ2 LYS 32 1HZ LYS 32 16.721 -5.474 -1.927 252 HZ3 LYS 32 2HZ LYS 32 15.365 -4.688 -1.286 253 H MET 33 H MET 33 9.026 -4.508 -3.776 254 HA MET 33 HA MET 33 9.609 -1.798 -4.301 255 HB2 MET 33 1HB MET 33 8.465 -3.154 -5.936 256 HB3 MET 33 2HB MET 33 7.138 -3.456 -4.826 257 HG2 MET 33 1HG MET 33 7.687 -0.631 -5.476 258 HG3 MET 33 2HG MET 33 7.050 -1.637 -6.777 259 HE1 MET 33 3HE MET 33 5.226 -3.707 -5.303 260 HE2 MET 33 1HE MET 33 4.706 -2.823 -6.738 261 HE3 MET 33 2HE MET 33 3.666 -2.886 -5.316 262 H PHE 34 H PHE 34 6.906 -3.267 -2.489 263 HA PHE 34 HA PHE 34 5.851 -0.947 -1.351 264 HB2 PHE 34 1HB PHE 34 5.832 -3.835 -0.693 265 HB3 PHE 34 2HB PHE 34 5.499 -2.752 0.652 266 HD1 PHE 34 HD1 PHE 34 4.444 -3.421 -2.859 267 HD2 PHE 34 HD2 PHE 34 3.359 -2.009 1.007 268 HE1 PHE 34 HE1 PHE 34 2.101 -3.226 -3.588 269 HE2 PHE 34 HE2 PHE 34 1.018 -1.809 0.284 270 HZ PHE 34 HZ PHE 34 0.385 -2.421 -2.013 271 H ASP 35 H ASP 35 8.523 -2.993 -0.360 272 HA ASP 35 HA ASP 35 9.059 -1.900 2.153 273 HB2 ASP 35 1HB ASP 35 10.035 -4.005 1.344 274 HB3 ASP 35 2HB ASP 35 10.972 -3.121 0.148 275 H ASP 36 H ASP 36 10.823 -1.270 -0.871 276 HA ASP 36 HA ASP 36 12.573 0.558 0.346 277 HB2 ASP 36 1HB ASP 36 13.041 -0.757 -1.725 278 HB3 ASP 36 2HB ASP 36 11.973 0.334 -2.605 279 H ASP 37 H ASP 37 9.552 1.074 -1.394 280 HA ASP 37 HA ASP 37 10.033 3.966 -1.286 281 HB2 ASP 37 1HB ASP 37 8.044 2.339 -2.864 282 HB3 ASP 37 2HB ASP 37 8.022 4.098 -2.802 283 H ILE 38 H ILE 38 7.496 1.604 -0.497 284 HA ILE 38 HA ILE 38 5.774 3.668 0.497 285 HB ILE 38 HB ILE 38 5.399 0.685 0.714 286 HG12 ILE 38 1HG1 ILE 38 4.686 2.604 -1.509 287 HG13 ILE 38 2HG1 ILE 38 5.790 1.243 -1.604 288 HG21 ILE 38 1HG2 ILE 38 3.420 2.960 0.757 289 HG22 ILE 38 2HG2 ILE 38 3.916 1.991 2.144 290 HG23 ILE 38 3HG2 ILE 38 3.017 1.244 0.822 291 HD11 ILE 38 3HD1 ILE 38 2.815 1.085 -1.199 292 HD12 ILE 38 1HD1 ILE 38 3.919 -0.289 -1.275 293 HD13 ILE 38 2HD1 ILE 38 3.693 0.740 -2.690 294 H LEU 39 H LEU 39 7.926 1.270 1.971 295 HA LEU 39 HA LEU 39 6.682 1.335 4.500 296 HB2 LEU 39 1HB LEU 39 9.455 0.492 3.726 297 HB3 LEU 39 2HB LEU 39 8.828 0.349 5.358 298 HG LEU 39 HG LEU 39 7.936 -1.114 2.887 299 HD11 LEU 39 1HD1 LEU 39 9.790 -2.086 4.090 300 HD12 LEU 39 2HD1 LEU 39 8.349 -3.076 4.306 301 HD13 LEU 39 3HD1 LEU 39 8.886 -2.009 5.602 302 HD21 LEU 39 3HD2 LEU 39 5.929 -0.317 4.032 303 HD22 LEU 39 1HD2 LEU 39 6.511 -1.011 5.543 304 HD23 LEU 39 2HD2 LEU 39 6.107 -2.065 4.188 305 HA PRO 40 HA PRO 40 10.052 4.581 5.823 306 HB2 PRO 40 1HB PRO 40 10.864 6.230 3.782 307 HB3 PRO 40 2HB PRO 40 11.797 4.855 4.379 308 HG2 PRO 40 1HG PRO 40 10.008 5.039 1.994 309 HG3 PRO 40 2HG PRO 40 11.584 4.242 2.154 310 HD2 PRO 40 1HD PRO 40 9.291 2.850 2.204 311 HD3 PRO 40 2HD PRO 40 10.680 2.390 3.206 312 H ILE 41 H ILE 41 7.499 4.867 3.537 313 HA ILE 41 HA ILE 41 6.946 7.640 4.237 314 HB ILE 41 HB ILE 41 5.458 5.799 2.355 315 HG12 ILE 41 1HG1 ILE 41 7.433 8.029 1.822 316 HG13 ILE 41 2HG1 ILE 41 7.726 6.310 1.582 317 HG21 ILE 41 1HG2 ILE 41 4.025 7.564 3.277 318 HG22 ILE 41 2HG2 ILE 41 4.330 7.812 1.557 319 HG23 ILE 41 3HG2 ILE 41 5.191 8.782 2.758 320 HD11 ILE 41 3HD1 ILE 41 5.714 7.981 0.092 321 HD12 ILE 41 1HD1 ILE 41 6.018 6.260 -0.153 322 HD13 ILE 41 2HD1 ILE 41 7.278 7.439 -0.519 323 H ILE 42 H ILE 42 5.036 4.593 4.214 324 HA ILE 42 HA ILE 42 3.671 5.610 6.626 325 HB ILE 42 HB ILE 42 1.550 4.712 5.862 326 HG12 ILE 42 1HG1 ILE 42 2.622 4.324 3.100 327 HG13 ILE 42 2HG1 ILE 42 2.851 3.041 4.286 328 HG21 ILE 42 1HG2 ILE 42 2.795 6.589 3.863 329 HG22 ILE 42 2HG2 ILE 42 2.054 7.037 5.401 330 HG23 ILE 42 3HG2 ILE 42 1.066 6.346 4.113 331 HD11 ILE 42 3HD1 ILE 42 0.865 2.638 2.985 332 HD12 ILE 42 1HD1 ILE 42 0.225 4.223 3.425 333 HD13 ILE 42 2HD1 ILE 42 0.439 2.984 4.663 334 H GLY 43 H GLY 43 5.510 3.145 5.413 335 HA2 GLY 43 1HA GLY 43 4.147 0.816 6.200 336 HA3 GLY 43 2HA GLY 43 5.889 0.965 6.044 337 H GLY 44 H GLY 44 6.163 3.036 8.017 338 HA2 GLY 44 1HA GLY 44 6.147 1.334 10.358 339 HA3 GLY 44 2HA GLY 44 6.889 2.920 10.223 340 H LEU 45 H LEU 45 3.764 3.109 9.037 341 HA LEU 45 HA LEU 45 2.903 4.347 11.541 342 HB2 LEU 45 1HB LEU 45 1.674 4.440 8.785 343 HB3 LEU 45 2HB LEU 45 1.125 5.354 10.178 344 HG LEU 45 HG LEU 45 3.813 5.666 8.834 345 HD11 LEU 45 1HD1 LEU 45 1.971 6.479 7.457 346 HD12 LEU 45 2HD1 LEU 45 2.950 7.810 8.073 347 HD13 LEU 45 3HD1 LEU 45 1.386 7.450 8.807 348 HD21 LEU 45 3HD2 LEU 45 2.527 7.205 11.087 349 HD22 LEU 45 1HD2 LEU 45 4.028 7.649 10.272 350 HD23 LEU 45 2HD2 LEU 45 3.939 6.155 11.206 351 H GLU 46 H GLU 46 0.515 4.116 12.020 352 HA GLU 46 HA GLU 46 -0.124 1.279 12.103 353 HB2 GLU 46 1HB GLU 46 -0.343 2.616 14.148 354 HB3 GLU 46 2HB GLU 46 -1.487 3.681 13.343 355 HG2 GLU 46 1HG GLU 46 -3.124 1.962 13.229 356 HG3 GLU 46 2HG GLU 46 -1.967 0.742 13.757 357 H ILE 47 H ILE 47 -1.884 0.351 11.099 358 HA ILE 47 HA ILE 47 -2.564 1.480 8.605 359 HB ILE 47 HB ILE 47 -2.444 -0.980 9.192 360 HG12 ILE 47 1HG1 ILE 47 -4.968 -0.102 7.781 361 HG13 ILE 47 2HG1 ILE 47 -3.364 -0.047 7.060 362 HG21 ILE 47 1HG2 ILE 47 -4.504 -2.046 9.991 363 HG22 ILE 47 2HG2 ILE 47 -5.217 -0.455 10.252 364 HG23 ILE 47 3HG2 ILE 47 -3.814 -0.957 11.195 365 HD11 ILE 47 3HD1 ILE 47 -4.586 -1.998 6.320 366 HD12 ILE 47 1HD1 ILE 47 -4.802 -2.518 7.993 367 HD13 ILE 47 2HD1 ILE 47 -3.186 -2.470 7.285 368 H GLN 48 H GLN 48 -4.010 1.762 11.700 369 HA GLN 48 HA GLN 48 -6.600 2.583 10.722 370 HB2 GLN 48 1HB GLN 48 -5.483 2.772 13.523 371 HB3 GLN 48 2HB GLN 48 -7.168 2.923 13.056 372 HG2 GLN 48 1HG GLN 48 -7.160 0.585 12.317 373 HG3 GLN 48 2HG GLN 48 -5.482 0.440 12.841 374 HE21 GLN 48 2HE2 GLN 48 -7.806 -1.032 13.750 375 HE22 GLN 48 1HE2 GLN 48 -7.949 -0.731 15.450 376 H ASP 49 H ASP 49 -3.583 4.084 11.204 377 HA ASP 49 HA ASP 49 -4.858 6.727 11.135 378 HB2 ASP 49 1HB ASP 49 -4.195 6.225 13.493 379 HB3 ASP 49 2HB ASP 49 -2.527 6.075 12.952 380 H ILE 50 H ILE 50 -4.302 6.655 8.923 381 HA ILE 50 HA ILE 50 -1.504 7.432 8.465 382 HB ILE 50 HB ILE 50 -3.216 5.747 6.624 383 HG12 ILE 50 1HG1 ILE 50 -0.590 5.141 8.001 384 HG13 ILE 50 2HG1 ILE 50 -2.161 4.513 8.486 385 HG21 ILE 50 1HG2 ILE 50 -1.239 5.729 5.131 386 HG22 ILE 50 2HG2 ILE 50 -0.483 6.940 6.168 387 HG23 ILE 50 3HG2 ILE 50 -1.968 7.326 5.298 388 HD11 ILE 50 3HD1 ILE 50 -2.339 3.336 6.353 389 HD12 ILE 50 1HD1 ILE 50 -0.900 2.858 7.252 390 HD13 ILE 50 2HD1 ILE 50 -0.757 3.961 5.884 391 H GLU 51 H GLU 51 -1.266 9.335 7.405 392 HA GLU 51 HA GLU 51 -3.572 10.952 6.960 393 HB2 GLU 51 1HB GLU 51 -0.721 11.464 6.094 394 HB3 GLU 51 2HB GLU 51 -2.010 12.655 6.177 395 HG2 GLU 51 1HG GLU 51 -2.130 12.198 8.640 396 HG3 GLU 51 2HG GLU 51 -0.655 11.247 8.454 397 HA PRO 52 HA PRO 52 -4.510 9.931 2.707 398 HB2 PRO 52 1HB PRO 52 -5.218 12.814 2.550 399 HB3 PRO 52 2HB PRO 52 -6.188 11.394 2.142 400 HG2 PRO 52 1HG PRO 52 -6.671 12.795 4.361 401 HG3 PRO 52 2HG PRO 52 -6.822 11.029 4.338 402 HD2 PRO 52 1HD PRO 52 -4.649 12.735 5.473 403 HD3 PRO 52 2HD PRO 52 -5.329 11.213 6.087 404 H MET 53 H MET 53 -2.759 12.840 3.629 405 HA MET 53 HA MET 53 -1.600 13.396 1.110 406 HB2 MET 53 1HB MET 53 -0.646 14.098 3.895 407 HB3 MET 53 2HB MET 53 0.019 14.768 2.413 408 HG2 MET 53 1HG MET 53 -2.127 15.783 1.889 409 HG3 MET 53 2HG MET 53 -2.825 15.083 3.350 410 HE1 MET 53 3HE MET 53 0.757 16.640 2.856 411 HE2 MET 53 1HE MET 53 0.484 18.307 3.368 412 HE3 MET 53 2HE MET 53 -0.275 17.701 1.897 413 H GLN 54 H GLN 54 -0.655 11.350 3.805 414 HA GLN 54 HA GLN 54 1.979 10.845 2.804 415 HB2 GLN 54 1HB GLN 54 0.317 9.730 5.029 416 HB3 GLN 54 2HB GLN 54 1.792 8.906 4.538 417 HG2 GLN 54 1HG GLN 54 3.112 10.820 5.031 418 HG3 GLN 54 2HG GLN 54 1.678 11.806 5.308 419 HE21 GLN 54 2HE2 GLN 54 3.964 11.158 7.046 420 HE22 GLN 54 1HE2 GLN 54 3.266 10.495 8.486 421 H LEU 55 H LEU 55 -1.113 9.120 2.718 422 HA LEU 55 HA LEU 55 -0.096 6.840 1.383 423 HB2 LEU 55 1HB LEU 55 -2.334 7.036 2.551 424 HB3 LEU 55 2HB LEU 55 -2.898 7.938 1.158 425 HG LEU 55 HG LEU 55 -2.523 5.995 -0.280 426 HD11 LEU 55 1HD1 LEU 55 -1.680 4.602 2.259 427 HD12 LEU 55 2HD1 LEU 55 -0.634 5.004 0.896 428 HD13 LEU 55 3HD1 LEU 55 -1.932 3.827 0.694 429 HD21 LEU 55 3HD2 LEU 55 -4.279 4.554 0.618 430 HD22 LEU 55 1HD2 LEU 55 -4.697 6.257 0.808 431 HD23 LEU 55 2HD2 LEU 55 -4.118 5.331 2.192 432 H LEU 56 H LEU 56 -1.280 9.967 0.319 433 HA LEU 56 HA LEU 56 -1.131 9.423 -2.465 434 HB2 LEU 56 1HB LEU 56 -2.450 11.276 -1.500 435 HB3 LEU 56 2HB LEU 56 -0.972 12.065 -1.000 436 HG LEU 56 HG LEU 56 -2.218 12.864 -3.147 437 HD11 LEU 56 1HD1 LEU 56 -0.117 13.574 -4.152 438 HD12 LEU 56 2HD1 LEU 56 0.759 12.407 -3.161 439 HD13 LEU 56 3HD1 LEU 56 -0.080 13.758 -2.398 440 HD21 LEU 56 3HD2 LEU 56 -2.376 10.668 -4.206 441 HD22 LEU 56 1HD2 LEU 56 -0.614 10.569 -4.260 442 HD23 LEU 56 2HD2 LEU 56 -1.458 11.801 -5.198 443 H GLU 57 H GLU 57 1.145 10.621 -0.056 444 HA GLU 57 HA GLU 57 3.218 11.351 -1.794 445 HB2 GLU 57 1HB GLU 57 3.049 11.797 0.712 446 HB3 GLU 57 2HB GLU 57 3.618 10.150 0.947 447 HG2 GLU 57 1HG GLU 57 5.456 11.695 1.136 448 HG3 GLU 57 2HG GLU 57 5.660 10.690 -0.299 449 H VAL 58 H VAL 58 2.265 8.251 -0.441 450 HA VAL 58 HA VAL 58 4.386 6.672 -1.365 451 HB VAL 58 HB VAL 58 1.460 6.003 -0.990 452 HG11 VAL 58 1HG1 VAL 58 2.181 3.636 -0.992 453 HG12 VAL 58 2HG1 VAL 58 3.776 4.160 -1.535 454 HG13 VAL 58 3HG1 VAL 58 2.369 4.421 -2.561 455 HG21 VAL 58 3HG2 VAL 58 2.208 4.953 1.072 456 HG22 VAL 58 1HG2 VAL 58 2.669 6.656 1.039 457 HG23 VAL 58 2HG2 VAL 58 3.875 5.407 0.715 458 H ILE 59 H ILE 59 1.236 7.294 -2.860 459 HA ILE 59 HA ILE 59 1.720 6.026 -5.307 460 HB ILE 59 HB ILE 59 -0.212 8.081 -4.369 461 HG12 ILE 59 1HG1 ILE 59 -1.850 6.457 -5.275 462 HG13 ILE 59 2HG1 ILE 59 -0.513 5.440 -5.797 463 HG21 ILE 59 1HG2 ILE 59 0.154 7.461 -7.292 464 HG22 ILE 59 2HG2 ILE 59 0.413 9.023 -6.510 465 HG23 ILE 59 3HG2 ILE 59 -1.210 8.338 -6.596 466 HD11 ILE 59 3HD1 ILE 59 0.173 5.140 -3.480 467 HD12 ILE 59 1HD1 ILE 59 -1.501 4.641 -3.722 468 HD13 ILE 59 2HD1 ILE 59 -1.144 6.187 -2.951 469 H ARG 60 H ARG 60 2.239 9.386 -4.325 470 HA ARG 60 HA ARG 60 3.116 10.282 -6.873 471 HB2 ARG 60 1HB ARG 60 2.180 11.694 -4.994 472 HB3 ARG 60 2HB ARG 60 3.742 11.533 -4.199 473 HG2 ARG 60 1HG ARG 60 4.834 12.643 -6.043 474 HG3 ARG 60 2HG ARG 60 3.309 12.725 -6.928 475 HD2 ARG 60 1HD ARG 60 3.740 14.856 -5.915 476 HD3 ARG 60 2HD ARG 60 2.371 14.099 -5.102 477 HE ARG 60 HE ARG 60 4.112 13.411 -3.370 478 HH11 ARG 60 1HH1 ARG 60 4.421 16.295 -5.343 479 HH12 ARG 60 2HH1 ARG 60 5.267 17.190 -4.115 480 HH21 ARG 60 1HH2 ARG 60 5.246 14.572 -1.769 481 HH22 ARG 60 2HH2 ARG 60 5.732 16.213 -2.087 482 H ARG 61 H ARG 61 4.678 8.753 -4.181 483 HA ARG 61 HA ARG 61 7.366 9.295 -4.753 484 HB2 ARG 61 1HB ARG 61 6.549 8.158 -2.700 485 HB3 ARG 61 2HB ARG 61 6.158 6.740 -3.658 486 HG2 ARG 61 1HG ARG 61 8.212 6.356 -2.508 487 HG3 ARG 61 2HG ARG 61 8.559 6.528 -4.230 488 HD2 ARG 61 1HD ARG 61 9.298 8.800 -3.895 489 HD3 ARG 61 2HD ARG 61 8.832 8.734 -2.195 490 HE ARG 61 HE ARG 61 10.581 6.949 -1.984 491 HH11 ARG 61 1HH1 ARG 61 10.757 9.378 -4.491 492 HH12 ARG 61 2HH1 ARG 61 12.483 9.292 -4.643 493 HH21 ARG 61 1HH2 ARG 61 12.843 6.847 -2.139 494 HH22 ARG 61 2HH2 ARG 61 13.682 7.850 -3.288 495 H PHE 62 H PHE 62 5.176 6.774 -5.939 496 HA PHE 62 HA PHE 62 7.113 5.657 -7.731 497 HB2 PHE 62 1HB PHE 62 4.107 5.388 -7.623 498 HB3 PHE 62 2HB PHE 62 5.137 4.489 -8.736 499 HD1 PHE 62 HD1 PHE 62 6.856 2.929 -7.803 500 HD2 PHE 62 HD2 PHE 62 3.815 4.688 -5.407 501 HE1 PHE 62 HE1 PHE 62 7.230 1.214 -6.080 502 HE2 PHE 62 HE2 PHE 62 4.185 2.980 -3.678 503 HZ PHE 62 HZ PHE 62 5.893 1.240 -4.013 504 H GLU 63 H GLU 63 4.689 8.172 -7.969 505 HA GLU 63 HA GLU 63 4.740 8.421 -10.794 506 HB2 GLU 63 1HB GLU 63 3.970 10.422 -8.669 507 HB3 GLU 63 2HB GLU 63 3.737 10.670 -10.393 508 HG2 GLU 63 1HG GLU 63 2.341 8.574 -10.387 509 HG3 GLU 63 2HG GLU 63 2.413 8.639 -8.625 510 H ASP 64 H ASP 64 6.898 9.477 -8.322 511 HA ASP 64 HA ASP 64 8.159 11.602 -9.670 512 HB2 ASP 64 1HB ASP 64 8.597 11.229 -7.322 513 HB3 ASP 64 2HB ASP 64 9.268 9.635 -7.658 514 H ARG 65 H ARG 65 8.705 8.122 -9.717 515 HA ARG 65 HA ARG 65 10.849 8.405 -11.652 516 HB2 ARG 65 1HB ARG 65 9.578 5.920 -10.482 517 HB3 ARG 65 2HB ARG 65 10.998 5.944 -11.520 518 HG2 ARG 65 1HG ARG 65 12.128 7.369 -9.801 519 HG3 ARG 65 2HG ARG 65 10.744 7.082 -8.746 520 HD2 ARG 65 1HD ARG 65 12.554 4.970 -9.909 521 HD3 ARG 65 2HD ARG 65 12.599 5.564 -8.250 522 HE ARG 65 HE ARG 65 10.543 3.851 -9.441 523 HH11 ARG 65 1HH1 ARG 65 11.778 5.541 -6.641 524 HH12 ARG 65 2HH1 ARG 65 10.873 4.588 -5.497 525 HH21 ARG 65 1HH2 ARG 65 9.370 2.576 -7.935 526 HH22 ARG 65 2HH2 ARG 65 9.538 2.885 -6.228 527 H GLY 66 H GLY 66 7.474 8.050 -11.628 528 HA2 GLY 66 1HA GLY 66 6.145 8.381 -13.544 529 HA3 GLY 66 2HA GLY 66 7.498 7.875 -14.544 530 H ALA 67 H ALA 67 6.740 5.918 -11.822 531 HA ALA 67 HA ALA 67 6.050 3.730 -13.581 532 HB1 ALA 67 3HB ALA 67 6.246 3.770 -10.570 533 HB2 ALA 67 1HB ALA 67 7.567 3.381 -11.673 534 HB3 ALA 67 2HB ALA 67 6.146 2.340 -11.597 535 H MET 68 H MET 68 4.066 4.685 -14.355 536 HA MET 68 HA MET 68 1.903 5.415 -12.730 537 HB2 MET 68 1HB MET 68 1.996 4.408 -15.572 538 HB3 MET 68 2HB MET 68 0.528 4.995 -14.809 539 HG2 MET 68 1HG MET 68 3.004 6.677 -14.998 540 HG3 MET 68 2HG MET 68 1.820 6.600 -16.298 541 HE1 MET 68 3HE MET 68 1.096 8.425 -12.114 542 HE2 MET 68 1HE MET 68 2.678 7.978 -12.751 543 HE3 MET 68 2HE MET 68 1.515 6.724 -12.324 544 H GLU 69 H GLU 69 2.773 2.313 -14.162 545 HA GLU 69 HA GLU 69 0.386 0.947 -13.535 546 HB2 GLU 69 1HB GLU 69 3.169 -0.201 -13.788 547 HB3 GLU 69 2HB GLU 69 1.657 -1.083 -13.945 548 HG2 GLU 69 1HG GLU 69 1.141 -0.031 -15.987 549 HG3 GLU 69 2HG GLU 69 2.405 1.181 -15.764 550 H ARG 70 H ARG 70 3.470 1.259 -11.826 551 HA ARG 70 HA ARG 70 2.627 -0.463 -9.695 552 HB2 ARG 70 1HB ARG 70 5.055 1.309 -9.983 553 HB3 ARG 70 2HB ARG 70 4.778 0.220 -8.628 554 HG2 ARG 70 1HG ARG 70 4.694 -1.673 -10.228 555 HG3 ARG 70 2HG ARG 70 5.108 -0.548 -11.521 556 HD2 ARG 70 1HD ARG 70 7.210 -0.023 -10.416 557 HD3 ARG 70 2HD ARG 70 6.791 -1.095 -9.079 558 HE ARG 70 HE ARG 70 6.774 -2.413 -11.633 559 HH11 ARG 70 1HH1 ARG 70 8.816 -1.397 -8.986 560 HH12 ARG 70 2HH1 ARG 70 10.024 -2.608 -9.281 561 HH21 ARG 70 1HH2 ARG 70 8.349 -3.999 -12.037 562 HH22 ARG 70 2HH2 ARG 70 9.765 -4.091 -11.021 563 H ALA 71 H ALA 71 2.580 2.974 -10.299 564 HA ALA 71 HA ALA 71 2.139 3.808 -7.626 565 HB1 ALA 71 3HB ALA 71 1.244 5.113 -10.195 566 HB2 ALA 71 1HB ALA 71 2.785 5.381 -9.382 567 HB3 ALA 71 2HB ALA 71 1.283 5.880 -8.608 568 H ASN 72 H ASN 72 -0.081 3.051 -10.294 569 HA ASN 72 HA ASN 72 -2.436 3.416 -8.746 570 HB2 ASN 72 1HB ASN 72 -1.899 2.032 -11.369 571 HB3 ASN 72 2HB ASN 72 -3.503 2.069 -10.640 572 HD21 ASN 72 2HD2 ASN 72 -2.450 3.241 -13.144 573 HD22 ASN 72 1HD2 ASN 72 -2.844 4.922 -13.055 574 H LYS 73 H LYS 73 -0.292 0.710 -9.319 575 HA LYS 73 HA LYS 73 -2.061 -1.225 -8.180 576 HB2 LYS 73 1HB LYS 73 -0.211 -1.780 -9.791 577 HB3 LYS 73 2HB LYS 73 0.935 -1.465 -8.494 578 HG2 LYS 73 1HG LYS 73 0.173 -3.298 -7.231 579 HG3 LYS 73 2HG LYS 73 -1.283 -3.469 -8.211 580 HD2 LYS 73 1HD LYS 73 0.207 -4.041 -10.150 581 HD3 LYS 73 2HD LYS 73 1.558 -4.085 -9.014 582 HE2 LYS 73 1HE LYS 73 0.569 -5.877 -7.794 583 HE3 LYS 73 2HE LYS 73 -0.946 -5.723 -8.682 584 HZ1 LYS 73 3HZ LYS 73 0.261 -6.385 -10.706 585 HZ2 LYS 73 1HZ LYS 73 0.284 -7.585 -9.511 586 HZ3 LYS 73 2HZ LYS 73 1.661 -6.635 -9.780 587 H ALA 74 H ALA 74 0.520 0.846 -6.981 588 HA ALA 74 HA ALA 74 0.732 -0.181 -4.385 589 HB1 ALA 74 3HB ALA 74 2.213 1.585 -5.357 590 HB2 ALA 74 1HB ALA 74 1.631 1.942 -3.731 591 HB3 ALA 74 2HB ALA 74 0.900 2.745 -5.124 592 H ARG 75 H ARG 75 -1.396 2.349 -5.692 593 HA ARG 75 HA ARG 75 -2.904 2.897 -3.429 594 HB2 ARG 75 1HB ARG 75 -3.109 4.180 -5.503 595 HB3 ARG 75 2HB ARG 75 -3.819 2.791 -6.311 596 HG2 ARG 75 1HG ARG 75 -5.701 2.885 -4.696 597 HG3 ARG 75 2HG ARG 75 -5.015 4.375 -4.049 598 HD2 ARG 75 1HD ARG 75 -5.211 5.407 -6.272 599 HD3 ARG 75 2HD ARG 75 -5.933 3.919 -6.886 600 HE ARG 75 HE ARG 75 -7.328 4.937 -4.615 601 HH11 ARG 75 1HH1 ARG 75 -6.933 5.354 -8.066 602 HH12 ARG 75 2HH1 ARG 75 -8.549 5.952 -8.307 603 HH21 ARG 75 1HH2 ARG 75 -9.440 5.758 -4.919 604 HH22 ARG 75 2HH2 ARG 75 -9.964 6.225 -6.508 605 H ARG 76 H ARG 76 -3.546 0.473 -5.956 606 HA ARG 76 HA ARG 76 -5.887 -0.573 -4.843 607 HB2 ARG 76 1HB ARG 76 -3.853 -1.681 -6.737 608 HB3 ARG 76 2HB ARG 76 -5.136 -2.714 -6.124 609 HG2 ARG 76 1HG ARG 76 -6.722 -0.866 -6.941 610 HG3 ARG 76 2HG ARG 76 -5.335 -0.305 -7.882 611 HD2 ARG 76 1HD ARG 76 -6.787 -1.828 -9.167 612 HD3 ARG 76 2HD ARG 76 -5.153 -2.462 -8.969 613 HE ARG 76 HE ARG 76 -6.502 -3.571 -6.885 614 HH11 ARG 76 1HH1 ARG 76 -7.151 -3.434 -10.327 615 HH12 ARG 76 2HH1 ARG 76 -7.934 -4.978 -10.371 616 HH21 ARG 76 1HH2 ARG 76 -7.537 -5.611 -6.939 617 HH22 ARG 76 2HH2 ARG 76 -8.159 -6.224 -8.448 618 H ARG 77 H ARG 77 -2.541 -1.764 -4.534 619 HA ARG 77 HA ARG 77 -3.375 -3.986 -2.960 620 HB2 ARG 77 1HB ARG 77 -0.612 -2.894 -3.488 621 HB3 ARG 77 2HB ARG 77 -0.949 -4.414 -2.664 622 HG2 ARG 77 1HG ARG 77 -1.660 -3.715 -5.507 623 HG3 ARG 77 2HG ARG 77 -0.406 -4.836 -4.974 624 HD2 ARG 77 1HD ARG 77 -1.961 -6.412 -4.232 625 HD3 ARG 77 2HD ARG 77 -3.270 -5.231 -4.174 626 HE ARG 77 HE ARG 77 -2.431 -5.438 -6.823 627 HH11 ARG 77 1HH1 ARG 77 -3.944 -7.474 -4.395 628 HH12 ARG 77 2HH1 ARG 77 -4.869 -8.371 -5.563 629 HH21 ARG 77 1HH2 ARG 77 -3.660 -6.604 -8.348 630 HH22 ARG 77 2HH2 ARG 77 -4.723 -7.877 -7.805 631 H CYS 78 H CYS 78 -2.067 -0.793 -2.146 632 HA CYS 78 HA CYS 78 -1.804 -1.299 0.620 633 HB2 CYS 78 1HB CYS 78 -2.477 1.273 -0.824 634 HB3 CYS 78 2HB CYS 78 -2.115 1.170 0.895 635 HG CYS 78 HG CYS 78 -0.021 0.836 -1.750 636 H GLY 79 H GLY 79 -4.517 -0.068 -1.328 637 HA2 GLY 79 1HA GLY 79 -6.410 0.077 0.737 638 HA3 GLY 79 2HA GLY 79 -6.778 -0.156 -0.965 639 H GLU 80 H GLU 80 -5.172 -2.642 -1.058 640 HA GLU 80 HA GLU 80 -7.195 -4.477 -0.236 641 HB2 GLU 80 1HB GLU 80 -5.841 -4.844 -2.254 642 HB3 GLU 80 2HB GLU 80 -4.399 -4.995 -1.261 643 HG2 GLU 80 1HG GLU 80 -5.108 -7.037 -0.350 644 HG3 GLU 80 2HG GLU 80 -6.760 -6.812 -0.924 645 H VAL 81 H VAL 81 -3.979 -3.596 0.958 646 HA VAL 81 HA VAL 81 -3.876 -5.382 3.126 647 HB VAL 81 HB VAL 81 -2.739 -2.579 2.931 648 HG11 VAL 81 1HG1 VAL 81 -1.190 -3.276 4.694 649 HG12 VAL 81 2HG1 VAL 81 -2.037 -4.818 4.827 650 HG13 VAL 81 3HG1 VAL 81 -2.864 -3.318 5.250 651 HG21 VAL 81 3HG2 VAL 81 -0.636 -3.727 2.372 652 HG22 VAL 81 1HG2 VAL 81 -1.898 -4.024 1.176 653 HG23 VAL 81 2HG2 VAL 81 -1.495 -5.267 2.361 654 H PHE 82 H PHE 82 -5.149 -2.069 2.880 655 HA PHE 82 HA PHE 82 -6.201 -1.839 5.458 656 HB2 PHE 82 1HB PHE 82 -7.088 -0.663 2.825 657 HB3 PHE 82 2HB PHE 82 -7.913 -0.295 4.333 658 HD1 PHE 82 HD1 PHE 82 -6.472 0.677 6.235 659 HD2 PHE 82 HD2 PHE 82 -5.262 0.599 2.160 660 HE1 PHE 82 HE1 PHE 82 -4.863 2.483 6.681 661 HE2 PHE 82 HE2 PHE 82 -3.646 2.400 2.600 662 HZ PHE 82 HZ PHE 82 -3.444 3.344 4.863 663 H ARG 83 H ARG 83 -7.750 -3.025 2.489 664 HA ARG 83 HA ARG 83 -10.234 -3.681 3.576 665 HB2 ARG 83 1HB ARG 83 -10.192 -3.661 1.259 666 HB3 ARG 83 2HB ARG 83 -8.703 -4.588 1.166 667 HG2 ARG 83 1HG ARG 83 -9.819 -6.616 1.588 668 HG3 ARG 83 2HG ARG 83 -11.282 -5.790 2.123 669 HD2 ARG 83 1HD ARG 83 -11.327 -6.825 -0.197 670 HD3 ARG 83 2HD ARG 83 -11.854 -5.150 -0.061 671 HE ARG 83 HE ARG 83 -9.426 -4.670 -0.786 672 HH11 ARG 83 1HH1 ARG 83 -11.254 -7.472 -1.830 673 HH12 ARG 83 2HH1 ARG 83 -10.562 -7.479 -3.425 674 HH21 ARG 83 1HH2 ARG 83 -8.523 -4.672 -2.888 675 HH22 ARG 83 2HH2 ARG 83 -9.019 -5.892 -4.029 676 H TYR 84 H TYR 84 -7.276 -5.617 3.346 677 HA TYR 84 HA TYR 84 -8.337 -8.029 4.318 678 HB2 TYR 84 1HB TYR 84 -6.088 -7.735 3.241 679 HB3 TYR 84 2HB TYR 84 -5.524 -6.990 4.734 680 HD1 TYR 84 HD2 TYR 84 -6.900 -10.140 3.327 681 HD2 TYR 84 HD1 TYR 84 -4.745 -8.322 6.514 682 HE1 TYR 84 HE2 TYR 84 -6.324 -12.365 4.200 683 HE2 TYR 84 HE1 TYR 84 -4.165 -10.541 7.394 684 HH TYR 84 HH TYR 84 -4.971 -12.829 7.311 685 H ALA 85 H ALA 85 -6.975 -5.223 5.967 686 HA ALA 85 HA ALA 85 -7.158 -6.326 8.586 687 HB1 ALA 85 3HB ALA 85 -6.998 -3.436 7.742 688 HB2 ALA 85 1HB ALA 85 -5.624 -4.500 8.037 689 HB3 ALA 85 2HB ALA 85 -6.703 -4.069 9.362 690 H ILE 86 H ILE 86 -9.344 -4.521 6.524 691 HA ILE 86 HA ILE 86 -11.330 -3.983 8.473 692 HB ILE 86 HB ILE 86 -11.604 -4.377 5.483 693 HG12 ILE 86 1HG1 ILE 86 -11.489 -1.852 7.149 694 HG13 ILE 86 2HG1 ILE 86 -10.168 -2.483 6.171 695 HG21 ILE 86 1HG2 ILE 86 -13.738 -4.765 6.591 696 HG22 ILE 86 2HG2 ILE 86 -13.766 -3.250 5.690 697 HG23 ILE 86 3HG2 ILE 86 -13.586 -3.229 7.443 698 HD11 ILE 86 3HD1 ILE 86 -11.498 -2.169 4.157 699 HD12 ILE 86 1HD1 ILE 86 -11.323 -0.657 5.053 700 HD13 ILE 86 2HD1 ILE 86 -12.838 -1.559 5.132 701 H VAL 87 H VAL 87 -10.787 -6.682 6.252 702 HA VAL 87 HA VAL 87 -13.088 -8.166 6.908 703 HB VAL 87 HB VAL 87 -10.414 -9.163 5.909 704 HG11 VAL 87 1HG1 VAL 87 -13.107 -10.523 5.891 705 HG12 VAL 87 2HG1 VAL 87 -11.727 -10.969 6.896 706 HG13 VAL 87 3HG1 VAL 87 -11.632 -11.138 5.142 707 HG21 VAL 87 3HG2 VAL 87 -11.484 -9.131 3.703 708 HG22 VAL 87 1HG2 VAL 87 -11.424 -7.523 4.424 709 HG23 VAL 87 2HG2 VAL 87 -12.934 -8.431 4.424 710 H THR 88 H THR 88 -9.801 -8.219 8.245 711 HA THR 88 HA THR 88 -10.372 -10.340 10.067 712 HB THR 88 HB THR 88 -8.065 -9.641 9.183 713 HG1 THR 88 HG1 THR 88 -8.018 -11.195 10.708 714 HG21 THR 88 3HG2 THR 88 -6.821 -8.055 10.567 715 HG22 THR 88 1HG2 THR 88 -8.288 -7.689 11.475 716 HG23 THR 88 2HG2 THR 88 -8.183 -7.271 9.766 717 H GLY 89 H GLY 89 -11.090 -7.018 10.032 718 HA2 GLY 89 1HA GLY 89 -12.595 -5.980 11.478 719 HA3 GLY 89 2HA GLY 89 -12.381 -7.299 12.614 720 H ARG 90 H ARG 90 -9.628 -5.591 11.306 721 HA ARG 90 HA ARG 90 -9.336 -4.240 13.905 722 HB2 ARG 90 1HB ARG 90 -7.258 -5.659 12.259 723 HB3 ARG 90 2HB ARG 90 -6.818 -4.450 13.462 724 HG2 ARG 90 1HG ARG 90 -8.017 -5.760 15.173 725 HG3 ARG 90 2HG ARG 90 -8.352 -6.992 13.959 726 HD2 ARG 90 1HD ARG 90 -6.028 -7.488 13.718 727 HD3 ARG 90 2HD ARG 90 -5.576 -6.102 14.711 728 HE ARG 90 HE ARG 90 -6.952 -7.404 16.497 729 HH11 ARG 90 1HH1 ARG 90 -4.852 -8.824 14.078 730 HH12 ARG 90 2HH1 ARG 90 -4.440 -10.191 15.057 731 HH21 ARG 90 1HH2 ARG 90 -6.392 -9.209 17.792 732 HH22 ARG 90 2HH2 ARG 90 -5.324 -10.424 17.148 733 H ALA 91 H ALA 91 -10.055 -3.655 10.847 734 HA ALA 91 HA ALA 91 -9.180 -0.885 11.187 735 HB1 ALA 91 3HB ALA 91 -7.645 -1.845 9.542 736 HB2 ALA 91 1HB ALA 91 -8.708 -0.649 8.800 737 HB3 ALA 91 2HB ALA 91 -9.017 -2.370 8.563 738 H LYS 92 H LYS 92 -10.775 0.565 10.746 739 HA LYS 92 HA LYS 92 -13.404 -0.600 10.309 740 HB2 LYS 92 1HB LYS 92 -12.583 2.173 11.179 741 HB3 LYS 92 2HB LYS 92 -14.245 1.612 11.048 742 HG2 LYS 92 1HG LYS 92 -13.783 -0.106 12.738 743 HG3 LYS 92 2HG LYS 92 -12.138 0.512 12.895 744 HD2 LYS 92 1HD LYS 92 -12.987 2.654 13.649 745 HD3 LYS 92 2HD LYS 92 -14.648 2.106 13.406 746 HE2 LYS 92 1HE LYS 92 -14.280 0.341 15.083 747 HE3 LYS 92 2HE LYS 92 -12.653 0.965 15.357 748 HZ1 LYS 92 3HZ LYS 92 -13.552 3.002 16.176 749 HZ2 LYS 92 1HZ LYS 92 -14.320 1.730 16.989 750 HZ3 LYS 92 2HZ LYS 92 -15.132 2.553 15.750 751 H TYR 93 H TYR 93 -11.395 2.002 8.963 752 HA TYR 93 HA TYR 93 -12.886 1.729 6.464 753 HB2 TYR 93 1HB TYR 93 -13.291 4.042 6.209 754 HB3 TYR 93 2HB TYR 93 -13.765 3.690 7.865 755 HD1 TYR 93 HD1 TYR 93 -12.000 4.199 9.711 756 HD2 TYR 93 HD2 TYR 93 -11.807 5.764 5.757 757 HE1 TYR 93 HE1 TYR 93 -10.511 5.994 10.496 758 HE2 TYR 93 HE2 TYR 93 -10.319 7.558 6.532 759 HH TYR 93 HH TYR 93 -8.834 7.523 9.590 760 H ASN 94 H ASN 94 -11.733 2.725 4.635 761 HA ASN 94 HA ASN 94 -8.838 2.851 5.119 762 HB2 ASN 94 1HB ASN 94 -8.490 1.934 2.869 763 HB3 ASN 94 2HB ASN 94 -9.414 0.824 3.869 764 HD21 ASN 94 2HD2 ASN 94 -9.208 0.978 0.993 765 HD22 ASN 94 1HD2 ASN 94 -10.813 1.196 0.393 766 HA PRO 95 HA PRO 95 -9.249 6.954 3.539 767 HB2 PRO 95 1HB PRO 95 -6.642 7.568 3.275 768 HB3 PRO 95 2HB PRO 95 -7.417 7.395 4.853 769 HG2 PRO 95 1HG PRO 95 -5.709 5.447 3.359 770 HG3 PRO 95 2HG PRO 95 -5.691 5.858 5.083 771 HD2 PRO 95 1HD PRO 95 -6.913 3.637 4.078 772 HD3 PRO 95 2HD PRO 95 -7.436 4.455 5.563 773 H ALA 96 H ALA 96 -9.401 4.734 1.579 774 HA ALA 96 HA ALA 96 -7.766 5.321 -0.659 775 HB1 ALA 96 3HB ALA 96 -9.271 3.886 -1.922 776 HB2 ALA 96 1HB ALA 96 -10.424 3.905 -0.588 777 HB3 ALA 96 2HB ALA 96 -8.843 3.152 -0.377 778 HA PRO 97 HA PRO 97 -11.674 7.928 -2.167 779 HB2 PRO 97 1HB PRO 97 -12.871 9.178 -0.004 780 HB3 PRO 97 2HB PRO 97 -13.543 7.797 -0.875 781 HG2 PRO 97 1HG PRO 97 -11.990 7.857 1.675 782 HG3 PRO 97 2HG PRO 97 -13.403 6.874 1.246 783 HD2 PRO 97 1HD PRO 97 -10.952 5.824 1.237 784 HD3 PRO 97 2HD PRO 97 -12.135 5.385 -0.014 785 H ASP 98 H ASP 98 -10.103 8.806 0.912 786 HA ASP 98 HA ASP 98 -9.674 11.516 0.178 787 HB2 ASP 98 1HB ASP 98 -8.752 9.760 2.401 788 HB3 ASP 98 2HB ASP 98 -7.862 11.251 2.100 789 H LEU 99 H LEU 99 -7.768 8.583 -0.127 790 HA LEU 99 HA LEU 99 -5.362 9.672 -1.028 791 HB2 LEU 99 1HB LEU 99 -5.737 7.275 -0.526 792 HB3 LEU 99 2HB LEU 99 -6.748 7.142 -1.946 793 HG LEU 99 HG LEU 99 -4.354 6.242 -2.082 794 HD11 LEU 99 1HD1 LEU 99 -5.297 8.204 -4.167 795 HD12 LEU 99 2HD1 LEU 99 -5.756 6.505 -4.048 796 HD13 LEU 99 3HD1 LEU 99 -4.087 6.946 -4.406 797 HD21 LEU 99 3HD2 LEU 99 -3.248 8.138 -1.037 798 HD22 LEU 99 1HD2 LEU 99 -3.772 9.184 -2.357 799 HD23 LEU 99 2HD2 LEU 99 -2.639 7.868 -2.671 800 H ALA 100 H ALA 100 -8.245 8.705 -2.853 801 HA ALA 100 HA ALA 100 -7.347 9.585 -5.372 802 HB1 ALA 100 3HB ALA 100 -9.208 8.027 -5.103 803 HB2 ALA 100 1HB ALA 100 -9.689 9.434 -6.050 804 HB3 ALA 100 2HB ALA 100 -10.174 9.302 -4.361 805 H ASP 101 H ASP 101 -9.224 11.172 -2.831 806 HA ASP 101 HA ASP 101 -9.829 13.510 -4.284 807 HB2 ASP 101 1HB ASP 101 -10.920 12.716 -2.125 808 HB3 ASP 101 2HB ASP 101 -9.514 13.370 -1.287 809 H ALA 102 H ALA 102 -7.158 12.678 -2.139 810 HA ALA 102 HA ALA 102 -5.908 15.215 -2.162 811 HB1 ALA 102 3HB ALA 102 -5.362 13.522 -0.495 812 HB2 ALA 102 1HB ALA 102 -3.915 14.031 -1.366 813 HB3 ALA 102 2HB ALA 102 -4.680 12.489 -1.753 814 H MET 103 H MET 103 -5.668 12.397 -4.246 815 HA MET 103 HA MET 103 -3.529 13.276 -5.852 816 HB2 MET 103 1HB MET 103 -4.487 10.949 -5.758 817 HB3 MET 103 2HB MET 103 -5.855 11.531 -6.692 818 HG2 MET 103 1HG MET 103 -4.227 12.179 -8.487 819 HG3 MET 103 2HG MET 103 -2.986 11.335 -7.557 820 HE1 MET 103 3HE MET 103 -2.978 8.750 -7.082 821 HE2 MET 103 1HE MET 103 -4.264 7.652 -7.584 822 HE3 MET 103 2HE MET 103 -4.578 8.871 -6.351 823 H LYS 104 H LYS 104 -7.007 13.809 -6.018 824 HA LYS 104 HA LYS 104 -6.914 15.261 -8.509 825 HB2 LYS 104 1HB LYS 104 -9.126 15.249 -6.450 826 HB3 LYS 104 2HB LYS 104 -9.259 15.694 -8.144 827 HG2 LYS 104 1HG LYS 104 -8.964 13.445 -8.841 828 HG3 LYS 104 2HG LYS 104 -8.527 12.936 -7.208 829 HD2 LYS 104 1HD LYS 104 -10.828 13.740 -6.500 830 HD3 LYS 104 2HD LYS 104 -11.208 13.847 -8.219 831 HE2 LYS 104 1HE LYS 104 -10.750 11.483 -8.496 832 HE3 LYS 104 2HE LYS 104 -10.269 11.355 -6.804 833 HZ1 LYS 104 3HZ LYS 104 -12.502 10.580 -7.029 834 HZ2 LYS 104 1HZ LYS 104 -12.972 11.995 -7.847 835 HZ3 LYS 104 2HZ LYS 104 -12.546 12.063 -6.208 836 H GLY 105 H GLY 105 -6.604 16.012 -5.143 837 HA2 GLY 105 1HA GLY 105 -7.202 18.838 -5.575 838 HA3 GLY 105 2HA GLY 105 -6.965 18.051 -4.022 839 H TYR 106 H TYR 106 -4.452 16.799 -5.397 840 HA TYR 106 HA TYR 106 -2.670 18.721 -4.293 841 HB2 TYR 106 1HB TYR 106 -2.354 16.142 -4.526 842 HB3 TYR 106 2HB TYR 106 -1.732 16.535 -6.128 843 HD1 TYR 106 HD1 TYR 106 -1.201 16.965 -2.517 844 HD2 TYR 106 HD2 TYR 106 0.419 17.572 -6.400 845 HE1 TYR 106 HE1 TYR 106 0.972 17.534 -1.511 846 HE2 TYR 106 HE2 TYR 106 2.601 18.133 -5.410 847 HH TYR 106 HH TYR 106 3.411 19.072 -3.162 848 H ARG 107 H ARG 107 -3.986 18.214 -7.444 849 HA ARG 107 HA ARG 107 -2.029 19.860 -8.765 850 HB2 ARG 107 1HB ARG 107 -3.477 19.716 -10.724 851 HB3 ARG 107 2HB ARG 107 -3.206 18.127 -10.027 852 HG2 ARG 107 1HG ARG 107 -5.426 18.331 -8.901 853 HG3 ARG 107 2HG ARG 107 -5.688 19.811 -9.826 854 HD2 ARG 107 1HD ARG 107 -5.392 18.537 -11.911 855 HD3 ARG 107 2HD ARG 107 -5.179 17.064 -10.966 856 HE ARG 107 HE ARG 107 -7.680 18.635 -10.952 857 HH11 ARG 107 1HH1 ARG 107 -5.961 15.594 -11.045 858 HH12 ARG 107 2HH1 ARG 107 -7.399 14.622 -11.113 859 HH21 ARG 107 1HH2 ARG 107 -9.589 17.374 -11.063 860 HH22 ARG 107 2HH2 ARG 107 -9.465 15.639 -11.139 861 H LYS 108 H LYS 108 -4.842 20.372 -6.893 862 HA LYS 108 HA LYS 108 -5.293 23.100 -7.736 863 HB2 LYS 108 1HB LYS 108 -6.061 21.811 -5.108 864 HB3 LYS 108 2HB LYS 108 -6.724 23.283 -5.789 865 HG2 LYS 108 1HG LYS 108 -7.875 22.061 -7.484 866 HG3 LYS 108 2HG LYS 108 -7.069 20.558 -7.014 867 HD2 LYS 108 1HD LYS 108 -8.123 20.703 -4.798 868 HD3 LYS 108 2HD LYS 108 -8.942 22.184 -5.289 869 HE2 LYS 108 1HE LYS 108 -10.171 20.969 -6.990 870 HE3 LYS 108 2HE LYS 108 -9.301 19.487 -6.591 871 HZ1 LYS 108 3HZ LYS 108 -10.985 20.969 -4.647 872 HZ2 LYS 108 1HZ LYS 108 -10.318 19.421 -4.459 873 HZ3 LYS 108 2HZ LYS 108 -11.561 19.679 -5.583 874 H LYS 109 H LYS 109 -3.548 21.317 -5.325 875 HA LYS 109 HA LYS 109 -2.003 21.784 -3.775 876 HB2 LYS 109 1HB LYS 109 -1.601 24.265 -5.440 877 HB3 LYS 109 2HB LYS 109 -0.609 23.865 -4.042 878 HG2 LYS 109 1HG LYS 109 -0.119 21.663 -5.201 879 HG3 LYS 109 2HG LYS 109 -0.844 22.382 -6.639 880 HD2 LYS 109 1HD LYS 109 0.787 24.155 -6.635 881 HD3 LYS 109 2HD LYS 109 1.468 23.573 -5.112 882 HE2 LYS 109 1HE LYS 109 1.982 21.415 -6.284 883 HE3 LYS 109 2HE LYS 109 1.506 22.194 -7.791 884 HZ1 LYS 109 3HZ LYS 109 3.907 22.252 -7.432 885 HZ2 LYS 109 1HZ LYS 109 3.682 23.130 -5.998 886 HZ3 LYS 109 2HZ LYS 109 3.251 23.818 -7.486 887 H ASN 110 H ASN 110 -3.809 21.826 -2.346 888 HA ASN 110 HA ASN 110 -4.867 24.303 -1.396 889 HB2 ASN 110 1HB ASN 110 -4.795 21.554 -0.117 890 HB3 ASN 110 2HB ASN 110 -5.690 22.929 0.523 891 HD21 ASN 110 2HD2 ASN 110 -7.593 23.545 -0.441 892 HD22 ASN 110 1HD2 ASN 110 -8.369 22.601 -1.669 893 H LEU 111 H LEU 111 -2.514 21.967 -0.148 894 HA LEU 111 HA LEU 111 -0.694 22.170 1.203 895 HB2 LEU 111 1HB LEU 111 -0.656 25.010 0.171 896 HB3 LEU 111 2HB LEU 111 0.697 24.136 0.864 897 HG LEU 111 HG LEU 111 -0.685 23.456 -1.732 898 HD11 LEU 111 1HD1 LEU 111 2.035 24.647 -1.208 899 HD12 LEU 111 2HD1 LEU 111 0.640 25.504 -1.865 900 HD13 LEU 111 3HD1 LEU 111 1.385 24.195 -2.782 901 HD21 LEU 111 3HD2 LEU 111 1.151 21.855 -2.036 902 HD22 LEU 111 1HD2 LEU 111 0.161 21.463 -0.628 903 HD23 LEU 111 2HD2 LEU 111 1.735 22.231 -0.414 904 H GLU 112 H GLU 112 -2.966 22.351 2.604 905 HA GLU 112 HA GLU 112 -3.273 24.768 4.088 906 HB2 GLU 112 1HB GLU 112 -4.355 22.033 4.763 907 HB3 GLU 112 2HB GLU 112 -4.987 23.590 5.288 908 HG2 GLU 112 1HG GLU 112 -5.608 24.136 3.013 909 HG3 GLU 112 2HG GLU 112 -4.911 22.623 2.439 910 H HIS 113 H HIS 113 -1.163 22.138 4.334 911 HA HIS 113 HA HIS 113 -0.648 22.441 7.165 912 HB2 HIS 113 1HB HIS 113 0.603 20.791 4.977 913 HB3 HIS 113 2HB HIS 113 1.378 20.943 6.552 914 HD1 HIS 113 HD1 HIS 113 1.022 18.420 7.042 915 HD2 HIS 113 HD2 HIS 113 -2.498 20.556 6.442 916 HE1 HIS 113 HE1 HIS 113 -0.832 16.920 7.848 917 HE2 HIS 113 HE2 HIS 113 -2.926 18.312 7.660 918 H HIS 114 H HIS 114 -0.095 24.370 4.648 919 HA HIS 114 HA HIS 114 2.088 25.701 6.067 920 HB2 HIS 114 1HB HIS 114 2.099 24.933 3.163 921 HB3 HIS 114 2HB HIS 114 2.935 26.389 3.694 922 HD1 HIS 114 HD1 HIS 114 3.571 22.957 3.051 923 HD2 HIS 114 HD2 HIS 114 4.800 25.659 5.971 924 HE1 HIS 114 HE1 HIS 114 5.667 21.980 4.055 925 HE2 HIS 114 HE2 HIS 114 6.475 23.711 5.703 926 H HIS 115 H HIS 115 1.133 27.521 6.719 927 HA HIS 115 HA HIS 115 -1.079 28.646 5.274 928 HB2 HIS 115 1HB HIS 115 0.458 29.620 7.685 929 HB3 HIS 115 2HB HIS 115 -0.920 30.478 6.999 930 HD1 HIS 115 HD1 HIS 115 -3.250 29.523 7.441 931 HD2 HIS 115 HD2 HIS 115 -0.174 27.180 8.965 932 HE1 HIS 115 HE1 HIS 115 -4.362 27.825 8.920 933 HE2 HIS 115 HE2 HIS 115 -2.511 26.250 9.576 934 H HIS 116 H HIS 116 -0.807 29.689 3.458 935 HA HIS 116 HA HIS 116 1.803 30.820 2.850 936 HB2 HIS 116 1HB HIS 116 0.059 29.354 1.359 937 HB3 HIS 116 2HB HIS 116 -0.328 30.986 0.824 938 HD1 HIS 116 HD1 HIS 116 2.160 28.309 0.495 939 HD2 HIS 116 HD2 HIS 116 1.907 32.370 -0.380 940 HE1 HIS 116 HE1 HIS 116 4.066 28.787 -1.074 941 HE2 HIS 116 HE2 HIS 116 3.794 31.205 -1.719 942 H HIS 117 H HIS 117 2.247 32.904 2.763 943 HA HIS 117 HA HIS 117 0.035 34.844 2.639 944 HB2 HIS 117 1HB HIS 117 2.386 34.887 4.542 945 HB3 HIS 117 2HB HIS 117 1.390 36.300 4.213 946 HD1 HIS 117 HD1 HIS 117 -0.562 36.607 5.704 947 HD2 HIS 117 HD2 HIS 117 0.780 32.668 5.681 948 HE1 HIS 117 HE1 HIS 117 -1.956 35.405 7.409 949 HE2 HIS 117 HE2 HIS 117 -1.225 32.999 7.285 950 H HIS 118 H HIS 118 0.687 36.936 1.808 951 HA HIS 118 HA HIS 118 3.081 36.768 0.114 952 HB2 HIS 118 1HB HIS 118 0.600 38.478 -0.160 953 HB3 HIS 118 2HB HIS 118 2.029 38.665 -1.167 954 HD1 HIS 118 HD1 HIS 118 -0.904 37.814 -2.136 955 HD2 HIS 118 HD2 HIS 118 2.372 35.307 -1.600 956 HE1 HIS 118 HE1 HIS 118 -1.340 35.805 -3.588 957 HE2 HIS 118 HE2 HIS 118 0.594 34.245 -3.151 Start of MODEL 7 1 H1 SER 1 1H SER 1 3.305 -13.215 21.459 2 H2 SER 1 2H SER 1 4.388 -13.078 20.162 3 H3 SER 1 3H SER 1 3.744 -14.591 20.566 4 HA SER 1 HA SER 1 2.672 -13.731 18.617 5 HB2 SER 1 1HB SER 1 0.855 -13.605 21.039 6 HB3 SER 1 2HB SER 1 0.365 -13.946 19.379 7 HG SER 1 HG SER 1 0.935 -15.947 19.649 8 H SER 2 H SER 2 3.828 -11.635 18.379 9 HA SER 2 HA SER 2 2.649 -9.280 19.502 10 HB2 SER 2 1HB SER 2 4.242 -8.124 17.914 11 HB3 SER 2 2HB SER 2 5.008 -9.253 19.034 12 HG SER 2 HG SER 2 4.252 -9.875 16.367 13 H ASN 3 H ASN 3 0.627 -8.805 18.882 14 HA ASN 3 HA ASN 3 0.028 -8.890 15.999 15 HB2 ASN 3 1HB ASN 3 -1.847 -9.024 18.369 16 HB3 ASN 3 2HB ASN 3 -2.381 -8.879 16.697 17 HD21 ASN 3 2HD2 ASN 3 -2.864 -11.000 18.646 18 HD22 ASN 3 1HD2 ASN 3 -2.266 -12.458 17.916 19 H ASN 4 H ASN 4 0.937 -6.913 15.541 20 HA ASN 4 HA ASN 4 -0.051 -4.565 16.972 21 HB2 ASN 4 1HB ASN 4 2.232 -4.996 15.047 22 HB3 ASN 4 2HB ASN 4 1.713 -3.390 15.545 23 HD21 ASN 4 2HD2 ASN 4 3.771 -3.057 16.441 24 HD22 ASN 4 1HD2 ASN 4 4.209 -3.761 17.964 25 H ASN 5 H ASN 5 -0.494 -2.600 15.601 26 HA ASN 5 HA ASN 5 -2.185 -3.431 13.336 27 HB2 ASN 5 1HB ASN 5 -2.428 -1.059 15.193 28 HB3 ASN 5 2HB ASN 5 -3.421 -1.287 13.759 29 HD21 ASN 5 2HD2 ASN 5 -3.465 -4.225 14.201 30 HD22 ASN 5 1HD2 ASN 5 -4.604 -4.476 15.483 31 H SER 6 H SER 6 0.759 -2.576 13.536 32 HA SER 6 HA SER 6 0.953 -0.158 12.047 33 HB2 SER 6 1HB SER 6 3.335 -1.088 11.624 34 HB3 SER 6 2HB SER 6 2.875 -0.693 13.281 35 HG SER 6 HG SER 6 3.484 -2.676 13.656 36 H PHE 7 H PHE 7 1.462 0.103 9.847 37 HA PHE 7 HA PHE 7 -0.079 -1.547 8.161 38 HB2 PHE 7 1HB PHE 7 0.577 0.941 7.886 39 HB3 PHE 7 2HB PHE 7 2.044 0.319 7.138 40 HD1 PHE 7 HD2 PHE 7 1.942 -0.879 5.008 41 HD2 PHE 7 HD1 PHE 7 -1.539 0.794 6.790 42 HE1 PHE 7 HE2 PHE 7 0.741 -1.101 2.872 43 HE2 PHE 7 HE1 PHE 7 -2.744 0.573 4.659 44 HZ PHE 7 HZ PHE 7 -1.604 -0.372 2.697 45 H SER 8 H SER 8 3.410 -1.299 8.702 46 HA SER 8 HA SER 8 4.288 -2.998 6.683 47 HB2 SER 8 1HB SER 8 6.261 -3.394 8.229 48 HB3 SER 8 2HB SER 8 5.893 -1.704 7.882 49 HG SER 8 HG SER 8 6.039 -1.648 10.019 50 H ALA 9 H ALA 9 3.273 -3.766 9.990 51 HA ALA 9 HA ALA 9 3.902 -6.507 9.928 52 HB1 ALA 9 3HB ALA 9 2.466 -6.695 11.891 53 HB2 ALA 9 1HB ALA 9 1.808 -5.090 11.573 54 HB3 ALA 9 2HB ALA 9 3.509 -5.277 12.003 55 H ILE 10 H ILE 10 0.811 -4.829 9.363 56 HA ILE 10 HA ILE 10 -0.630 -7.220 8.849 57 HB ILE 10 HB ILE 10 -1.308 -4.367 8.119 58 HG12 ILE 10 1HG1 ILE 10 -2.126 -6.129 10.441 59 HG13 ILE 10 2HG1 ILE 10 -1.055 -4.735 10.523 60 HG21 ILE 10 1HG2 ILE 10 -3.057 -6.831 8.130 61 HG22 ILE 10 2HG2 ILE 10 -2.556 -5.910 6.712 62 HG23 ILE 10 3HG2 ILE 10 -3.626 -5.177 7.906 63 HD11 ILE 10 3HD1 ILE 10 -3.977 -4.689 9.818 64 HD12 ILE 10 1HD1 ILE 10 -2.911 -3.285 9.880 65 HD13 ILE 10 2HD1 ILE 10 -3.261 -4.193 11.352 66 H TYR 11 H TYR 11 1.005 -4.874 6.761 67 HA TYR 11 HA TYR 11 0.268 -5.943 4.278 68 HB2 TYR 11 1HB TYR 11 1.458 -3.834 4.386 69 HB3 TYR 11 2HB TYR 11 2.858 -4.615 5.115 70 HD1 TYR 11 HD2 TYR 11 0.831 -4.463 2.010 71 HD2 TYR 11 HD1 TYR 11 4.544 -5.570 3.769 72 HE1 TYR 11 HE2 TYR 11 1.757 -4.893 -0.224 73 HE2 TYR 11 HE1 TYR 11 5.475 -6.010 1.535 74 HH TYR 11 HH TYR 11 4.692 -6.544 -0.707 75 H LYS 12 H LYS 12 2.764 -6.915 6.580 76 HA LYS 12 HA LYS 12 4.038 -8.767 4.855 77 HB2 LYS 12 1HB LYS 12 5.044 -7.800 6.934 78 HB3 LYS 12 2HB LYS 12 3.978 -8.839 7.872 79 HG2 LYS 12 1HG LYS 12 5.001 -10.809 6.896 80 HG3 LYS 12 2HG LYS 12 6.044 -9.791 5.900 81 HD2 LYS 12 1HD LYS 12 6.980 -8.816 7.986 82 HD3 LYS 12 2HD LYS 12 6.025 -9.980 8.908 83 HE2 LYS 12 1HE LYS 12 7.185 -11.820 7.789 84 HE3 LYS 12 2HE LYS 12 8.133 -10.658 6.858 85 HZ1 LYS 12 3HZ LYS 12 9.408 -11.433 8.729 86 HZ2 LYS 12 1HZ LYS 12 8.174 -10.998 9.811 87 HZ3 LYS 12 2HZ LYS 12 9.024 -9.799 8.964 88 H GLU 13 H GLU 13 1.449 -9.099 7.259 89 HA GLU 13 HA GLU 13 1.177 -11.902 7.048 90 HB2 GLU 13 1HB GLU 13 0.146 -10.523 8.849 91 HB3 GLU 13 2HB GLU 13 -0.988 -9.881 7.668 92 HG2 GLU 13 1HG GLU 13 -1.821 -12.169 7.271 93 HG3 GLU 13 2HG GLU 13 -0.735 -12.753 8.529 94 H TRP 14 H TRP 14 -0.571 -9.253 5.475 95 HA TRP 14 HA TRP 14 -2.157 -10.756 3.744 96 HB2 TRP 14 1HB TRP 14 -2.598 -8.428 4.054 97 HB3 TRP 14 2HB TRP 14 -0.978 -7.984 3.536 98 HD1 TRP 14 HD1 TRP 14 -4.365 -9.121 2.105 99 HE1 TRP 14 HE1 TRP 14 -4.442 -8.464 -0.394 100 HE3 TRP 14 HE3 TRP 14 0.444 -7.514 1.556 101 HZ2 TRP 14 HZ2 TRP 14 -2.677 -7.413 -2.327 102 HZ3 TRP 14 HZ3 TRP 14 1.178 -6.694 -0.634 103 HH2 TRP 14 HH2 TRP 14 -0.351 -6.645 -2.545 104 H TYR 15 H TYR 15 1.107 -9.452 3.314 105 HA TYR 15 HA TYR 15 1.544 -10.327 0.690 106 HB2 TYR 15 1HB TYR 15 3.061 -8.736 1.592 107 HB3 TYR 15 2HB TYR 15 3.446 -9.773 2.963 108 HD1 TYR 15 HD2 TYR 15 3.583 -9.862 -0.774 109 HD2 TYR 15 HD1 TYR 15 5.433 -10.922 2.907 110 HE1 TYR 15 HE2 TYR 15 5.481 -10.814 -2.008 111 HE2 TYR 15 HE1 TYR 15 7.339 -11.877 1.683 112 HH TYR 15 HH TYR 15 7.886 -11.285 -1.588 113 H GLU 16 H GLU 16 2.258 -11.938 3.794 114 HA GLU 16 HA GLU 16 3.630 -14.124 2.706 115 HB2 GLU 16 1HB GLU 16 3.480 -13.462 5.155 116 HB3 GLU 16 2HB GLU 16 1.914 -14.265 5.182 117 HG2 GLU 16 1HG GLU 16 3.034 -16.345 4.417 118 HG3 GLU 16 2HG GLU 16 4.582 -15.514 4.583 119 H HIS 17 H HIS 17 0.185 -13.656 3.357 120 HA HIS 17 HA HIS 17 -0.610 -16.255 2.554 121 HB2 HIS 17 1HB HIS 17 -2.110 -13.650 2.804 122 HB3 HIS 17 2HB HIS 17 -2.892 -15.121 2.237 123 HD1 HIS 17 HD1 HIS 17 -3.500 -16.885 3.972 124 HD2 HIS 17 HD2 HIS 17 -1.362 -13.679 5.547 125 HE1 HIS 17 HE1 HIS 17 -3.633 -17.135 6.471 126 HE2 HIS 17 HE2 HIS 17 -2.420 -15.134 7.406 127 H LYS 18 H LYS 18 -0.358 -13.170 0.827 128 HA LYS 18 HA LYS 18 -1.344 -14.158 -1.651 129 HB2 LYS 18 1HB LYS 18 0.245 -11.734 -0.857 130 HB3 LYS 18 2HB LYS 18 -0.074 -12.092 -2.548 131 HG2 LYS 18 1HG LYS 18 -2.184 -11.717 -0.435 132 HG3 LYS 18 2HG LYS 18 -1.667 -10.488 -1.592 133 HD2 LYS 18 1HD LYS 18 -2.267 -12.218 -3.394 134 HD3 LYS 18 2HD LYS 18 -3.126 -13.063 -2.105 135 HE2 LYS 18 1HE LYS 18 -3.596 -10.196 -2.909 136 HE3 LYS 18 2HE LYS 18 -4.582 -11.562 -3.428 137 HZ1 LYS 18 3HZ LYS 18 -5.437 -11.852 -1.321 138 HZ2 LYS 18 1HZ LYS 18 -5.337 -10.164 -1.432 139 HZ3 LYS 18 2HZ LYS 18 -4.169 -11.033 -0.556 140 H LYS 19 H LYS 19 1.755 -14.187 -0.108 141 HA LYS 19 HA LYS 19 3.384 -14.700 -2.351 142 HB2 LYS 19 1HB LYS 19 4.313 -13.991 -0.225 143 HB3 LYS 19 2HB LYS 19 3.717 -15.443 0.562 144 HG2 LYS 19 1HG LYS 19 5.240 -16.803 -0.757 145 HG3 LYS 19 2HG LYS 19 5.818 -15.361 -1.594 146 HD2 LYS 19 1HD LYS 19 7.343 -16.064 0.204 147 HD3 LYS 19 2HD LYS 19 6.670 -14.458 0.491 148 HE2 LYS 19 1HE LYS 19 5.063 -15.385 2.057 149 HE3 LYS 19 2HE LYS 19 5.650 -17.015 1.730 150 HZ1 LYS 19 3HZ LYS 19 7.727 -16.506 2.727 151 HZ2 LYS 19 1HZ LYS 19 6.534 -15.974 3.803 152 HZ3 LYS 19 2HZ LYS 19 7.362 -14.854 2.839 153 H GLN 20 H GLN 20 1.196 -16.662 -0.554 154 HA GLN 20 HA GLN 20 2.263 -19.177 -1.481 155 HB2 GLN 20 1HB GLN 20 -0.397 -18.541 -0.190 156 HB3 GLN 20 2HB GLN 20 0.273 -20.150 -0.429 157 HG2 GLN 20 1HG GLN 20 2.109 -19.629 1.065 158 HG3 GLN 20 2HG GLN 20 1.496 -17.990 1.271 159 HE21 GLN 20 2HE2 GLN 20 1.972 -20.088 3.230 160 HE22 GLN 20 1HE2 GLN 20 0.467 -20.338 4.041 161 H VAL 21 H VAL 21 0.259 -16.735 -2.692 162 HA VAL 21 HA VAL 21 -1.144 -18.466 -4.569 163 HB VAL 21 HB VAL 21 -1.343 -15.471 -4.213 164 HG11 VAL 21 1HG1 VAL 21 -3.436 -15.686 -5.481 165 HG12 VAL 21 2HG1 VAL 21 -3.097 -17.400 -5.730 166 HG13 VAL 21 3HG1 VAL 21 -2.032 -16.178 -6.428 167 HG21 VAL 21 3HG2 VAL 21 -2.070 -16.608 -2.199 168 HG22 VAL 21 1HG2 VAL 21 -3.113 -17.669 -3.145 169 HG23 VAL 21 2HG2 VAL 21 -3.463 -15.942 -3.053 170 H TRP 22 H TRP 22 0.976 -15.631 -4.612 171 HA TRP 22 HA TRP 22 1.346 -15.815 -7.472 172 HB2 TRP 22 1HB TRP 22 2.846 -14.081 -5.506 173 HB3 TRP 22 2HB TRP 22 2.772 -13.876 -7.249 174 HD1 TRP 22 HD1 TRP 22 -0.443 -14.125 -7.539 175 HE1 TRP 22 HE1 TRP 22 -1.902 -12.155 -6.725 176 HE3 TRP 22 HE3 TRP 22 2.893 -11.923 -4.368 177 HZ2 TRP 22 HZ2 TRP 22 -1.649 -9.953 -4.973 178 HZ3 TRP 22 HZ3 TRP 22 2.218 -9.891 -3.164 179 HH2 TRP 22 HH2 TRP 22 -0.008 -8.925 -3.461 180 H SER 23 H SER 23 3.640 -15.720 -8.322 181 HA SER 23 HA SER 23 5.192 -17.909 -7.310 182 HB2 SER 23 1HB SER 23 6.827 -17.102 -9.113 183 HB3 SER 23 2HB SER 23 5.233 -17.614 -9.672 184 HG SER 23 HG SER 23 4.623 -15.445 -9.803 185 H VAL 24 H VAL 24 7.192 -17.809 -6.247 186 HA VAL 24 HA VAL 24 7.432 -15.811 -4.324 187 HB VAL 24 HB VAL 24 8.363 -18.063 -4.044 188 HG11 VAL 24 1HG1 VAL 24 10.537 -18.645 -5.016 189 HG12 VAL 24 2HG1 VAL 24 10.496 -17.163 -5.974 190 HG13 VAL 24 3HG1 VAL 24 9.295 -18.427 -6.248 191 HG21 VAL 24 3HG2 VAL 24 10.443 -17.417 -2.914 192 HG22 VAL 24 1HG2 VAL 24 9.127 -16.292 -2.577 193 HG23 VAL 24 2HG2 VAL 24 10.390 -15.854 -3.729 194 H GLY 25 H GLY 25 9.032 -16.097 -7.467 195 HA2 GLY 25 1HA GLY 25 10.907 -14.013 -7.104 196 HA3 GLY 25 2HA GLY 25 10.306 -14.594 -8.650 197 H TYR 26 H TYR 26 7.614 -14.009 -8.398 198 HA TYR 26 HA TYR 26 7.590 -11.219 -8.987 199 HB2 TYR 26 1HB TYR 26 6.091 -12.856 -10.093 200 HB3 TYR 26 2HB TYR 26 5.266 -13.115 -8.560 201 HD1 TYR 26 HD2 TYR 26 5.966 -10.589 -11.176 202 HD2 TYR 26 HD1 TYR 26 3.535 -11.667 -7.856 203 HE1 TYR 26 HE2 TYR 26 4.435 -8.742 -11.708 204 HE2 TYR 26 HE1 TYR 26 1.991 -9.826 -8.381 205 HH TYR 26 HH TYR 26 1.984 -8.217 -11.307 206 H ALA 27 H ALA 27 6.534 -13.216 -6.283 207 HA ALA 27 HA ALA 27 5.212 -11.249 -4.796 208 HB1 ALA 27 3HB ALA 27 5.019 -13.626 -4.309 209 HB2 ALA 27 1HB ALA 27 5.537 -12.732 -2.880 210 HB3 ALA 27 2HB ALA 27 6.708 -13.671 -3.804 211 H THR 28 H THR 28 8.619 -12.304 -4.671 212 HA THR 28 HA THR 28 9.447 -10.573 -2.640 213 HB THR 28 HB THR 28 11.060 -11.638 -4.966 214 HG1 THR 28 HG1 THR 28 11.752 -12.960 -2.901 215 HG21 THR 28 3HG2 THR 28 13.016 -11.234 -3.529 216 HG22 THR 28 1HG2 THR 28 11.971 -10.466 -2.335 217 HG23 THR 28 2HG2 THR 28 12.177 -9.733 -3.924 218 H GLU 29 H GLU 29 9.371 -10.083 -6.166 219 HA GLU 29 HA GLU 29 10.588 -7.550 -6.174 220 HB2 GLU 29 1HB GLU 29 10.253 -8.918 -8.212 221 HB3 GLU 29 2HB GLU 29 8.523 -8.618 -8.111 222 HG2 GLU 29 1HG GLU 29 8.997 -6.188 -8.317 223 HG3 GLU 29 2HG GLU 29 10.691 -6.592 -8.588 224 H LEU 30 H LEU 30 7.197 -8.515 -5.994 225 HA LEU 30 HA LEU 30 6.081 -5.938 -6.050 226 HB2 LEU 30 1HB LEU 30 4.816 -7.992 -6.479 227 HB3 LEU 30 2HB LEU 30 5.036 -8.489 -4.815 228 HG LEU 30 HG LEU 30 3.678 -5.884 -5.245 229 HD11 LEU 30 1HD1 LEU 30 2.364 -8.539 -5.819 230 HD12 LEU 30 2HD1 LEU 30 2.669 -7.257 -6.992 231 HD13 LEU 30 3HD1 LEU 30 1.532 -6.991 -5.668 232 HD21 LEU 30 3HD2 LEU 30 4.071 -6.818 -3.005 233 HD22 LEU 30 1HD2 LEU 30 3.136 -8.246 -3.445 234 HD23 LEU 30 2HD2 LEU 30 2.352 -6.669 -3.359 235 H ALA 31 H ALA 31 7.039 -8.024 -3.349 236 HA ALA 31 HA ALA 31 6.137 -6.257 -1.320 237 HB1 ALA 31 3HB ALA 31 8.167 -8.482 -1.176 238 HB2 ALA 31 1HB ALA 31 6.430 -8.624 -0.891 239 HB3 ALA 31 2HB ALA 31 7.431 -7.672 0.208 240 H LYS 32 H LYS 32 9.375 -6.871 -2.700 241 HA LYS 32 HA LYS 32 10.774 -5.090 -1.049 242 HB2 LYS 32 1HB LYS 32 11.870 -6.769 -2.489 243 HB3 LYS 32 2HB LYS 32 11.403 -5.841 -3.910 244 HG2 LYS 32 1HG LYS 32 12.760 -3.965 -3.144 245 HG3 LYS 32 2HG LYS 32 13.221 -4.881 -1.709 246 HD2 LYS 32 1HD LYS 32 14.258 -6.583 -3.162 247 HD3 LYS 32 2HD LYS 32 13.845 -5.600 -4.571 248 HE2 LYS 32 1HE LYS 32 15.613 -4.726 -2.286 249 HE3 LYS 32 2HE LYS 32 16.179 -5.280 -3.861 250 HZ1 LYS 32 3HZ LYS 32 16.149 -2.869 -3.735 251 HZ2 LYS 32 1HZ LYS 32 14.487 -2.879 -3.378 252 HZ3 LYS 32 2HZ LYS 32 15.038 -3.418 -4.893 253 H MET 33 H MET 33 9.112 -4.575 -4.117 254 HA MET 33 HA MET 33 9.832 -1.900 -4.547 255 HB2 MET 33 1HB MET 33 8.743 -3.204 -6.273 256 HB3 MET 33 2HB MET 33 7.315 -3.413 -5.270 257 HG2 MET 33 1HG MET 33 6.884 -1.009 -5.402 258 HG3 MET 33 2HG MET 33 8.300 -0.820 -6.434 259 HE1 MET 33 3HE MET 33 5.847 -3.900 -6.543 260 HE2 MET 33 1HE MET 33 4.624 -3.325 -7.677 261 HE3 MET 33 2HE MET 33 4.788 -2.562 -6.096 262 H PHE 34 H PHE 34 7.272 -3.360 -2.625 263 HA PHE 34 HA PHE 34 5.982 -0.941 -1.878 264 HB2 PHE 34 1HB PHE 34 5.095 -3.346 -1.714 265 HB3 PHE 34 2HB PHE 34 6.052 -3.480 -0.243 266 HD1 PHE 34 HD2 PHE 34 5.545 -1.916 1.670 267 HD2 PHE 34 HD1 PHE 34 3.005 -2.329 -1.720 268 HE1 PHE 34 HE2 PHE 34 3.685 -0.935 2.947 269 HE2 PHE 34 HE1 PHE 34 1.142 -1.349 -0.449 270 HZ PHE 34 HZ PHE 34 1.481 -0.652 1.884 271 H ASP 35 H ASP 35 8.400 -3.011 -0.297 272 HA ASP 35 HA ASP 35 8.797 -1.490 2.003 273 HB2 ASP 35 1HB ASP 35 10.637 -3.288 0.438 274 HB3 ASP 35 2HB ASP 35 11.184 -2.459 1.889 275 H ASP 36 H ASP 36 10.563 -1.348 -1.081 276 HA ASP 36 HA ASP 36 12.464 0.514 -0.325 277 HB2 ASP 36 1HB ASP 36 11.324 -0.271 -2.970 278 HB3 ASP 36 2HB ASP 36 12.407 1.114 -2.883 279 H ASP 37 H ASP 37 9.463 1.262 -2.139 280 HA ASP 37 HA ASP 37 10.072 4.089 -1.771 281 HB2 ASP 37 1HB ASP 37 7.845 2.752 -3.317 282 HB3 ASP 37 2HB ASP 37 8.162 4.482 -3.290 283 H ILE 38 H ILE 38 7.653 1.750 -0.732 284 HA ILE 38 HA ILE 38 5.887 3.874 0.149 285 HB ILE 38 HB ILE 38 5.466 0.894 0.344 286 HG12 ILE 38 1HG1 ILE 38 4.803 2.841 -1.874 287 HG13 ILE 38 2HG1 ILE 38 5.882 1.458 -1.967 288 HG21 ILE 38 1HG2 ILE 38 3.986 2.189 1.771 289 HG22 ILE 38 2HG2 ILE 38 3.088 1.493 0.423 290 HG23 ILE 38 3HG2 ILE 38 3.524 3.202 0.403 291 HD11 ILE 38 3HD1 ILE 38 2.902 1.352 -1.583 292 HD12 ILE 38 1HD1 ILE 38 3.981 -0.041 -1.658 293 HD13 ILE 38 2HD1 ILE 38 3.783 0.999 -3.070 294 H LEU 39 H LEU 39 8.031 1.486 1.600 295 HA LEU 39 HA LEU 39 6.836 1.413 4.141 296 HB2 LEU 39 1HB LEU 39 8.899 0.098 2.972 297 HB3 LEU 39 2HB LEU 39 9.766 1.135 4.087 298 HG LEU 39 HG LEU 39 9.288 -1.112 5.008 299 HD11 LEU 39 1HD1 LEU 39 8.429 -0.368 7.167 300 HD12 LEU 39 2HD1 LEU 39 7.880 1.139 6.433 301 HD13 LEU 39 3HD1 LEU 39 9.603 0.778 6.518 302 HD21 LEU 39 3HD2 LEU 39 6.417 -0.216 4.791 303 HD22 LEU 39 1HD2 LEU 39 6.973 -1.648 5.660 304 HD23 LEU 39 2HD2 LEU 39 7.176 -1.541 3.910 305 HA PRO 40 HA PRO 40 9.860 4.948 5.501 306 HB2 PRO 40 1HB PRO 40 10.806 6.579 3.537 307 HB3 PRO 40 2HB PRO 40 11.695 5.180 4.153 308 HG2 PRO 40 1HG PRO 40 10.021 5.423 1.682 309 HG3 PRO 40 2HG PRO 40 11.595 4.638 1.895 310 HD2 PRO 40 1HD PRO 40 9.296 3.236 1.824 311 HD3 PRO 40 2HD PRO 40 10.669 2.744 2.836 312 H ILE 41 H ILE 41 7.261 4.941 3.402 313 HA ILE 41 HA ILE 41 6.652 7.774 3.883 314 HB ILE 41 HB ILE 41 5.179 5.852 2.075 315 HG12 ILE 41 1HG1 ILE 41 7.488 6.275 1.288 316 HG13 ILE 41 2HG1 ILE 41 6.282 6.969 0.211 317 HG21 ILE 41 1HG2 ILE 41 5.017 8.849 2.365 318 HG22 ILE 41 2HG2 ILE 41 3.794 7.682 2.867 319 HG23 ILE 41 3HG2 ILE 41 4.163 7.891 1.155 320 HD11 ILE 41 3HD1 ILE 41 7.879 8.480 2.264 321 HD12 ILE 41 1HD1 ILE 41 6.690 9.173 1.160 322 HD13 ILE 41 2HD1 ILE 41 8.176 8.462 0.526 323 H ILE 42 H ILE 42 4.909 4.636 3.911 324 HA ILE 42 HA ILE 42 3.415 5.637 6.256 325 HB ILE 42 HB ILE 42 1.400 4.503 5.481 326 HG12 ILE 42 1HG1 ILE 42 2.506 4.126 2.746 327 HG13 ILE 42 2HG1 ILE 42 2.968 2.951 3.975 328 HG21 ILE 42 1HG2 ILE 42 0.818 6.002 3.632 329 HG22 ILE 42 2HG2 ILE 42 2.523 6.413 3.438 330 HG23 ILE 42 3HG2 ILE 42 1.676 6.846 4.922 331 HD11 ILE 42 3HD1 ILE 42 1.033 2.204 2.730 332 HD12 ILE 42 1HD1 ILE 42 0.156 3.666 3.186 333 HD13 ILE 42 2HD1 ILE 42 0.623 2.494 4.421 334 H GLY 43 H GLY 43 5.548 3.365 5.264 335 HA2 GLY 43 1HA GLY 43 4.376 0.910 5.986 336 HA3 GLY 43 2HA GLY 43 6.101 1.231 5.903 337 H GLY 44 H GLY 44 6.088 3.315 7.882 338 HA2 GLY 44 1HA GLY 44 6.105 1.602 10.226 339 HA3 GLY 44 2HA GLY 44 6.775 3.221 10.112 340 H LEU 45 H LEU 45 3.750 3.402 8.803 341 HA LEU 45 HA LEU 45 2.724 4.607 11.250 342 HB2 LEU 45 1HB LEU 45 1.552 4.525 8.463 343 HB3 LEU 45 2HB LEU 45 0.912 5.447 9.810 344 HG LEU 45 HG LEU 45 3.594 5.904 8.498 345 HD11 LEU 45 1HD1 LEU 45 1.718 6.540 7.069 346 HD12 LEU 45 2HD1 LEU 45 2.589 7.958 7.653 347 HD13 LEU 45 3HD1 LEU 45 1.044 7.511 8.379 348 HD21 LEU 45 3HD2 LEU 45 2.168 7.430 10.673 349 HD22 LEU 45 1HD2 LEU 45 3.659 7.930 9.877 350 HD23 LEU 45 2HD2 LEU 45 3.632 6.467 10.862 351 H GLU 46 H GLU 46 0.417 4.178 11.837 352 HA GLU 46 HA GLU 46 -0.063 1.310 11.743 353 HB2 GLU 46 1HB GLU 46 -1.538 3.475 13.253 354 HB3 GLU 46 2HB GLU 46 -1.823 1.746 13.403 355 HG2 GLU 46 1HG GLU 46 0.626 1.567 14.069 356 HG3 GLU 46 2HG GLU 46 0.577 3.319 14.255 357 H ILE 47 H ILE 47 -1.845 0.361 10.851 358 HA ILE 47 HA ILE 47 -2.690 1.531 8.428 359 HB ILE 47 HB ILE 47 -2.432 -0.941 8.946 360 HG12 ILE 47 1HG1 ILE 47 -5.072 -0.184 7.689 361 HG13 ILE 47 2HG1 ILE 47 -3.519 0.036 6.890 362 HG21 ILE 47 1HG2 ILE 47 -5.173 -0.540 10.146 363 HG22 ILE 47 2HG2 ILE 47 -3.710 -1.022 11.008 364 HG23 ILE 47 3HG2 ILE 47 -4.424 -2.101 9.809 365 HD11 ILE 47 3HD1 ILE 47 -4.678 -2.583 7.800 366 HD12 ILE 47 1HD1 ILE 47 -3.126 -2.366 6.993 367 HD13 ILE 47 2HD1 ILE 47 -4.623 -1.987 6.142 368 H GLN 48 H GLN 48 -3.937 1.768 11.588 369 HA GLN 48 HA GLN 48 -6.661 2.318 10.780 370 HB2 GLN 48 1HB GLN 48 -5.360 2.611 13.492 371 HB3 GLN 48 2HB GLN 48 -7.086 2.636 13.155 372 HG2 GLN 48 1HG GLN 48 -6.989 0.325 12.411 373 HG3 GLN 48 2HG GLN 48 -5.253 0.293 12.713 374 HE21 GLN 48 2HE2 GLN 48 -7.377 -1.328 13.830 375 HE22 GLN 48 1HE2 GLN 48 -7.283 -1.132 15.549 376 H ASP 49 H ASP 49 -3.750 4.055 11.202 377 HA ASP 49 HA ASP 49 -5.222 6.585 11.135 378 HB2 ASP 49 1HB ASP 49 -4.403 6.104 13.464 379 HB3 ASP 49 2HB ASP 49 -2.760 6.150 12.834 380 H ILE 50 H ILE 50 -4.752 6.517 8.896 381 HA ILE 50 HA ILE 50 -2.061 7.546 8.335 382 HB ILE 50 HB ILE 50 -3.625 5.651 6.570 383 HG12 ILE 50 1HG1 ILE 50 -0.953 5.392 7.967 384 HG13 ILE 50 2HG1 ILE 50 -2.426 4.512 8.359 385 HG21 ILE 50 1HG2 ILE 50 -2.575 7.396 5.230 386 HG22 ILE 50 2HG2 ILE 50 -1.764 5.849 4.987 387 HG23 ILE 50 3HG2 ILE 50 -1.025 7.081 6.010 388 HD11 ILE 50 3HD1 ILE 50 -0.848 4.287 5.812 389 HD12 ILE 50 1HD1 ILE 50 -2.338 3.418 6.175 390 HD13 ILE 50 2HD1 ILE 50 -0.885 3.115 7.130 391 H GLU 51 H GLU 51 -2.138 9.506 7.549 392 HA GLU 51 HA GLU 51 -4.596 10.730 6.767 393 HB2 GLU 51 1HB GLU 51 -3.118 12.692 6.217 394 HB3 GLU 51 2HB GLU 51 -2.999 12.114 7.872 395 HG2 GLU 51 1HG GLU 51 -0.932 10.959 7.342 396 HG3 GLU 51 2HG GLU 51 -1.061 11.469 5.660 397 HA PRO 52 HA PRO 52 -4.865 9.545 2.566 398 HB2 PRO 52 1HB PRO 52 -5.892 11.926 1.553 399 HB3 PRO 52 2HB PRO 52 -6.838 10.618 2.263 400 HG2 PRO 52 1HG PRO 52 -5.902 13.167 3.493 401 HG3 PRO 52 2HG PRO 52 -7.429 12.299 3.729 402 HD2 PRO 52 1HD PRO 52 -5.476 12.216 5.561 403 HD3 PRO 52 2HD PRO 52 -6.486 10.794 5.221 404 H MET 53 H MET 53 -3.386 12.674 3.288 405 HA MET 53 HA MET 53 -2.228 12.996 0.704 406 HB2 MET 53 1HB MET 53 -1.590 14.332 3.338 407 HB3 MET 53 2HB MET 53 -0.897 14.807 1.792 408 HG2 MET 53 1HG MET 53 -3.136 15.304 0.944 409 HG3 MET 53 2HG MET 53 -3.822 14.853 2.503 410 HE1 MET 53 3HE MET 53 -4.396 17.634 1.052 411 HE2 MET 53 1HE MET 53 -4.281 18.745 2.417 412 HE3 MET 53 2HE MET 53 -5.088 17.190 2.611 413 H GLN 54 H GLN 54 -1.243 11.400 3.628 414 HA GLN 54 HA GLN 54 1.519 11.119 2.901 415 HB2 GLN 54 1HB GLN 54 0.512 10.996 5.251 416 HB3 GLN 54 2HB GLN 54 -0.028 9.381 4.825 417 HG2 GLN 54 1HG GLN 54 2.007 9.253 6.086 418 HG3 GLN 54 2HG GLN 54 2.303 8.725 4.430 419 HE21 GLN 54 2HE2 GLN 54 4.506 9.123 4.727 420 HE22 GLN 54 1HE2 GLN 54 5.152 10.728 4.671 421 H LEU 55 H LEU 55 -1.381 9.095 2.736 422 HA LEU 55 HA LEU 55 -0.173 6.861 1.497 423 HB2 LEU 55 1HB LEU 55 -2.433 6.886 2.561 424 HB3 LEU 55 2HB LEU 55 -3.020 7.846 1.218 425 HG LEU 55 HG LEU 55 -2.536 5.975 -0.320 426 HD11 LEU 55 1HD1 LEU 55 -0.703 4.948 0.914 427 HD12 LEU 55 2HD1 LEU 55 -1.980 3.774 0.589 428 HD13 LEU 55 3HD1 LEU 55 -1.817 4.478 2.199 429 HD21 LEU 55 3HD2 LEU 55 -4.263 5.230 2.044 430 HD22 LEU 55 1HD2 LEU 55 -4.339 4.499 0.441 431 HD23 LEU 55 2HD2 LEU 55 -4.764 6.197 0.656 432 H LEU 56 H LEU 56 -1.570 9.842 0.288 433 HA LEU 56 HA LEU 56 -1.366 9.242 -2.465 434 HB2 LEU 56 1HB LEU 56 -2.767 11.045 -1.436 435 HB3 LEU 56 2HB LEU 56 -1.303 11.954 -1.132 436 HG LEU 56 HG LEU 56 -2.772 12.532 -3.194 437 HD11 LEU 56 1HD1 LEU 56 -0.618 13.556 -2.726 438 HD12 LEU 56 2HD1 LEU 56 -0.806 13.237 -4.450 439 HD13 LEU 56 3HD1 LEU 56 0.207 12.182 -3.463 440 HD21 LEU 56 3HD2 LEU 56 -1.209 10.182 -4.250 441 HD22 LEU 56 1HD2 LEU 56 -2.121 11.329 -5.231 442 HD23 LEU 56 2HD2 LEU 56 -2.963 10.284 -4.085 443 H GLU 57 H GLU 57 0.892 10.546 -0.104 444 HA GLU 57 HA GLU 57 2.879 11.360 -1.926 445 HB2 GLU 57 1HB GLU 57 2.806 11.929 0.531 446 HB3 GLU 57 2HB GLU 57 3.380 10.299 0.853 447 HG2 GLU 57 1HG GLU 57 5.409 10.728 -0.384 448 HG3 GLU 57 2HG GLU 57 4.826 12.329 -0.830 449 H VAL 58 H VAL 58 2.079 8.244 -0.500 450 HA VAL 58 HA VAL 58 4.219 6.723 -1.476 451 HB VAL 58 HB VAL 58 1.309 6.006 -1.080 452 HG11 VAL 58 1HG1 VAL 58 2.180 4.525 -2.791 453 HG12 VAL 58 2HG1 VAL 58 1.994 3.643 -1.274 454 HG13 VAL 58 3HG1 VAL 58 3.592 4.170 -1.798 455 HG21 VAL 58 3HG2 VAL 58 3.787 5.297 0.483 456 HG22 VAL 58 1HG2 VAL 58 2.136 4.817 0.876 457 HG23 VAL 58 2HG2 VAL 58 2.598 6.519 0.937 458 H ILE 59 H ILE 59 1.059 7.351 -2.982 459 HA ILE 59 HA ILE 59 1.532 6.139 -5.436 460 HB ILE 59 HB ILE 59 -0.296 8.336 -4.560 461 HG12 ILE 59 1HG1 ILE 59 -2.013 6.719 -5.384 462 HG13 ILE 59 2HG1 ILE 59 -0.713 5.604 -5.780 463 HG21 ILE 59 1HG2 ILE 59 0.017 7.482 -7.433 464 HG22 ILE 59 2HG2 ILE 59 0.399 9.070 -6.767 465 HG23 ILE 59 3HG2 ILE 59 -1.271 8.506 -6.798 466 HD11 ILE 59 3HD1 ILE 59 -1.394 6.615 -3.032 467 HD12 ILE 59 1HD1 ILE 59 -0.091 5.494 -3.425 468 HD13 ILE 59 2HD1 ILE 59 -1.771 5.019 -3.681 469 H ARG 60 H ARG 60 2.230 9.482 -4.428 470 HA ARG 60 HA ARG 60 3.266 10.111 -7.037 471 HB2 ARG 60 1HB ARG 60 3.091 11.679 -4.484 472 HB3 ARG 60 2HB ARG 60 3.953 12.285 -5.895 473 HG2 ARG 60 1HG ARG 60 1.842 11.907 -7.206 474 HG3 ARG 60 2HG ARG 60 1.035 11.621 -5.663 475 HD2 ARG 60 1HD ARG 60 1.768 13.857 -4.909 476 HD3 ARG 60 2HD ARG 60 2.476 14.134 -6.500 477 HE ARG 60 HE ARG 60 -0.392 13.912 -5.899 478 HH11 ARG 60 1HH1 ARG 60 2.187 14.659 -8.135 479 HH12 ARG 60 2HH1 ARG 60 1.163 15.528 -9.233 480 HH21 ARG 60 1HH2 ARG 60 -1.761 15.063 -7.340 481 HH22 ARG 60 2HH2 ARG 60 -1.085 15.751 -8.779 482 H ARG 61 H ARG 61 4.555 8.620 -4.298 483 HA ARG 61 HA ARG 61 7.277 9.342 -4.684 484 HB2 ARG 61 1HB ARG 61 6.578 8.267 -2.607 485 HB3 ARG 61 2HB ARG 61 6.061 6.836 -3.490 486 HG2 ARG 61 1HG ARG 61 8.210 6.508 -2.368 487 HG3 ARG 61 2HG ARG 61 8.349 6.360 -4.120 488 HD2 ARG 61 1HD ARG 61 9.124 8.723 -4.193 489 HD3 ARG 61 2HD ARG 61 9.124 8.730 -2.429 490 HE ARG 61 HE ARG 61 10.963 7.275 -2.436 491 HH11 ARG 61 1HH1 ARG 61 9.933 8.128 -5.679 492 HH12 ARG 61 2HH1 ARG 61 11.393 7.558 -6.423 493 HH21 ARG 61 1HH2 ARG 61 12.905 6.547 -3.436 494 HH22 ARG 61 2HH2 ARG 61 13.057 6.640 -5.168 495 H PHE 62 H PHE 62 5.183 6.788 -5.928 496 HA PHE 62 HA PHE 62 7.145 5.720 -7.703 497 HB2 PHE 62 1HB PHE 62 4.138 5.535 -7.635 498 HB3 PHE 62 2HB PHE 62 5.101 4.767 -8.892 499 HD1 PHE 62 HD1 PHE 62 4.306 4.779 -5.309 500 HD2 PHE 62 HD2 PHE 62 6.374 2.809 -8.463 501 HE1 PHE 62 HE1 PHE 62 4.655 2.827 -3.857 502 HE2 PHE 62 HE2 PHE 62 6.725 0.852 -7.017 503 HZ PHE 62 HZ PHE 62 5.863 0.859 -4.710 504 H GLU 63 H GLU 63 4.777 8.285 -7.893 505 HA GLU 63 HA GLU 63 4.826 8.800 -10.634 506 HB2 GLU 63 1HB GLU 63 3.231 9.846 -9.082 507 HB3 GLU 63 2HB GLU 63 4.539 10.776 -8.363 508 HG2 GLU 63 1HG GLU 63 4.907 11.867 -10.551 509 HG3 GLU 63 2HG GLU 63 3.505 11.003 -11.180 510 H ASP 64 H ASP 64 6.809 10.317 -8.055 511 HA ASP 64 HA ASP 64 8.424 11.733 -9.924 512 HB2 ASP 64 1HB ASP 64 9.744 12.460 -8.103 513 HB3 ASP 64 2HB ASP 64 8.105 12.343 -7.478 514 H ARG 65 H ARG 65 8.490 8.505 -8.748 515 HA ARG 65 HA ARG 65 11.223 7.972 -9.458 516 HB2 ARG 65 1HB ARG 65 10.016 6.612 -7.783 517 HB3 ARG 65 2HB ARG 65 8.917 6.055 -9.036 518 HG2 ARG 65 1HG ARG 65 10.704 4.896 -10.160 519 HG3 ARG 65 2HG ARG 65 11.888 5.559 -9.033 520 HD2 ARG 65 1HD ARG 65 10.819 4.359 -7.192 521 HD3 ARG 65 2HD ARG 65 9.610 3.716 -8.301 522 HE ARG 65 HE ARG 65 11.709 2.733 -9.468 523 HH11 ARG 65 1HH1 ARG 65 11.217 3.055 -6.005 524 HH12 ARG 65 2HH1 ARG 65 12.240 1.708 -5.622 525 HH21 ARG 65 1HH2 ARG 65 13.030 0.930 -8.933 526 HH22 ARG 65 2HH2 ARG 65 13.260 0.508 -7.261 527 H GLY 66 H GLY 66 8.215 8.160 -11.109 528 HA2 GLY 66 1HA GLY 66 8.222 8.507 -13.482 529 HA3 GLY 66 2HA GLY 66 9.591 7.411 -13.601 530 H ALA 67 H ALA 67 7.712 5.906 -11.472 531 HA ALA 67 HA ALA 67 6.716 4.097 -13.524 532 HB1 ALA 67 3HB ALA 67 6.365 2.530 -11.691 533 HB2 ALA 67 1HB ALA 67 6.787 3.782 -10.524 534 HB3 ALA 67 2HB ALA 67 8.003 3.181 -11.652 535 H MET 68 H MET 68 4.782 4.585 -14.335 536 HA MET 68 HA MET 68 2.795 5.957 -12.720 537 HB2 MET 68 1HB MET 68 2.703 5.016 -15.591 538 HB3 MET 68 2HB MET 68 1.478 6.002 -14.810 539 HG2 MET 68 1HG MET 68 4.319 6.922 -14.951 540 HG3 MET 68 2HG MET 68 3.236 7.125 -16.322 541 HE1 MET 68 3HE MET 68 2.551 7.430 -12.402 542 HE2 MET 68 1HE MET 68 2.710 9.177 -12.206 543 HE3 MET 68 2HE MET 68 4.113 8.209 -12.663 544 H GLU 69 H GLU 69 3.078 2.874 -14.457 545 HA GLU 69 HA GLU 69 0.545 1.864 -13.766 546 HB2 GLU 69 1HB GLU 69 1.870 0.874 -15.552 547 HB3 GLU 69 2HB GLU 69 3.115 0.402 -14.403 548 HG2 GLU 69 1HG GLU 69 1.243 -0.944 -13.260 549 HG3 GLU 69 2HG GLU 69 0.371 -0.728 -14.776 550 H ARG 70 H ARG 70 3.721 1.521 -12.249 551 HA ARG 70 HA ARG 70 2.750 -0.212 -10.202 552 HB2 ARG 70 1HB ARG 70 5.354 1.296 -10.454 553 HB3 ARG 70 2HB ARG 70 5.005 0.118 -9.191 554 HG2 ARG 70 1HG ARG 70 4.595 -1.575 -10.959 555 HG3 ARG 70 2HG ARG 70 5.117 -0.391 -12.154 556 HD2 ARG 70 1HD ARG 70 7.315 -0.296 -11.147 557 HD3 ARG 70 2HD ARG 70 6.798 -1.385 -9.858 558 HE ARG 70 HE ARG 70 6.944 -2.181 -12.699 559 HH11 ARG 70 1HH1 ARG 70 7.402 -2.871 -9.291 560 HH12 ARG 70 2HH1 ARG 70 7.936 -4.498 -9.574 561 HH21 ARG 70 1HH2 ARG 70 7.657 -4.319 -13.050 562 HH22 ARG 70 2HH2 ARG 70 8.080 -5.324 -11.691 563 H ALA 71 H ALA 71 2.693 3.166 -10.636 564 HA ALA 71 HA ALA 71 2.449 3.919 -7.898 565 HB1 ALA 71 3HB ALA 71 1.476 5.995 -8.750 566 HB2 ALA 71 1HB ALA 71 1.346 5.284 -10.359 567 HB3 ALA 71 2HB ALA 71 2.934 5.571 -9.648 568 H ASN 72 H ASN 72 0.147 3.074 -10.465 569 HA ASN 72 HA ASN 72 -2.170 3.187 -8.837 570 HB2 ASN 72 1HB ASN 72 -2.301 3.160 -11.300 571 HB3 ASN 72 2HB ASN 72 -1.676 1.516 -11.317 572 HD21 ASN 72 2HD2 ASN 72 -3.023 -0.174 -10.816 573 HD22 ASN 72 1HD2 ASN 72 -4.727 0.002 -10.574 574 H LYS 73 H LYS 73 0.180 0.661 -9.531 575 HA LYS 73 HA LYS 73 -1.084 -1.475 -8.240 576 HB2 LYS 73 1HB LYS 73 1.774 -0.823 -8.827 577 HB3 LYS 73 2HB LYS 73 1.409 -2.170 -7.762 578 HG2 LYS 73 1HG LYS 73 0.004 -3.146 -9.552 579 HG3 LYS 73 2HG LYS 73 0.522 -1.836 -10.617 580 HD2 LYS 73 1HD LYS 73 2.755 -2.567 -10.610 581 HD3 LYS 73 2HD LYS 73 2.493 -3.612 -9.212 582 HE2 LYS 73 1HE LYS 73 2.660 -4.962 -11.201 583 HE3 LYS 73 2HE LYS 73 1.011 -5.026 -10.584 584 HZ1 LYS 73 3HZ LYS 73 1.977 -3.409 -12.886 585 HZ2 LYS 73 1HZ LYS 73 0.396 -3.357 -12.260 586 HZ3 LYS 73 2HZ LYS 73 0.986 -4.786 -12.952 587 H ALA 74 H ALA 74 0.903 1.134 -6.928 588 HA ALA 74 HA ALA 74 1.071 0.163 -4.282 589 HB1 ALA 74 3HB ALA 74 2.457 2.008 -5.125 590 HB2 ALA 74 1HB ALA 74 1.585 2.469 -3.662 591 HB3 ALA 74 2HB ALA 74 1.022 3.029 -5.237 592 H ARG 75 H ARG 75 -1.089 2.553 -5.725 593 HA ARG 75 HA ARG 75 -2.813 3.065 -3.646 594 HB2 ARG 75 1HB ARG 75 -2.811 4.280 -5.749 595 HB3 ARG 75 2HB ARG 75 -3.377 2.857 -6.606 596 HG2 ARG 75 1HG ARG 75 -5.486 2.971 -5.326 597 HG3 ARG 75 2HG ARG 75 -4.914 4.469 -4.582 598 HD2 ARG 75 1HD ARG 75 -4.724 5.496 -6.787 599 HD3 ARG 75 2HD ARG 75 -5.268 4.000 -7.539 600 HE ARG 75 HE ARG 75 -7.093 5.179 -5.613 601 HH11 ARG 75 1HH1 ARG 75 -6.158 4.842 -8.974 602 HH12 ARG 75 2HH1 ARG 75 -7.687 5.379 -9.587 603 HH21 ARG 75 1HH2 ARG 75 -9.108 5.886 -6.418 604 HH22 ARG 75 2HH2 ARG 75 -9.371 5.965 -8.138 605 H ARG 76 H ARG 76 -3.153 0.557 -6.139 606 HA ARG 76 HA ARG 76 -5.598 -0.484 -5.227 607 HB2 ARG 76 1HB ARG 76 -4.820 -0.882 -7.473 608 HB3 ARG 76 2HB ARG 76 -3.400 -1.730 -6.878 609 HG2 ARG 76 1HG ARG 76 -4.757 -3.543 -6.077 610 HG3 ARG 76 2HG ARG 76 -6.234 -2.674 -6.499 611 HD2 ARG 76 1HD ARG 76 -5.712 -2.791 -8.832 612 HD3 ARG 76 2HD ARG 76 -4.112 -3.447 -8.490 613 HE ARG 76 HE ARG 76 -5.150 -5.496 -7.806 614 HH11 ARG 76 1HH1 ARG 76 -7.309 -3.202 -9.333 615 HH12 ARG 76 2HH1 ARG 76 -8.460 -4.413 -9.809 616 HH21 ARG 76 1HH2 ARG 76 -6.641 -7.079 -8.423 617 HH22 ARG 76 2HH2 ARG 76 -8.084 -6.626 -9.278 618 H ARG 77 H ARG 77 -2.257 -1.602 -4.633 619 HA ARG 77 HA ARG 77 -3.006 -3.881 -3.142 620 HB2 ARG 77 1HB ARG 77 -0.450 -2.288 -3.200 621 HB3 ARG 77 2HB ARG 77 -0.645 -3.743 -2.233 622 HG2 ARG 77 1HG ARG 77 -1.077 -5.044 -4.232 623 HG3 ARG 77 2HG ARG 77 -0.956 -3.585 -5.222 624 HD2 ARG 77 1HD ARG 77 1.234 -4.787 -3.534 625 HD3 ARG 77 2HD ARG 77 1.119 -4.857 -5.291 626 HE ARG 77 HE ARG 77 1.107 -2.228 -4.903 627 HH11 ARG 77 1HH1 ARG 77 3.115 -4.691 -3.444 628 HH12 ARG 77 2HH1 ARG 77 4.500 -3.664 -3.278 629 HH21 ARG 77 1HH2 ARG 77 2.940 -0.849 -4.686 630 HH22 ARG 77 2HH2 ARG 77 4.393 -1.467 -3.975 631 H CYS 78 H CYS 78 -1.972 -0.635 -2.060 632 HA CYS 78 HA CYS 78 -2.137 -1.098 0.679 633 HB2 CYS 78 1HB CYS 78 -2.720 1.442 -0.860 634 HB3 CYS 78 2HB CYS 78 -2.497 1.360 0.884 635 HG CYS 78 HG CYS 78 0.017 1.815 0.747 636 H GLY 79 H GLY 79 -4.642 -0.101 -1.613 637 HA2 GLY 79 1HA GLY 79 -6.760 0.253 0.163 638 HA3 GLY 79 2HA GLY 79 -6.923 -0.232 -1.518 639 H GLU 80 H GLU 80 -5.566 -2.729 -1.362 640 HA GLU 80 HA GLU 80 -7.692 -4.293 -0.241 641 HB2 GLU 80 1HB GLU 80 -6.503 -4.929 -2.351 642 HB3 GLU 80 2HB GLU 80 -5.087 -5.317 -1.378 643 HG2 GLU 80 1HG GLU 80 -6.405 -6.966 -0.137 644 HG3 GLU 80 2HG GLU 80 -7.798 -6.595 -1.144 645 H VAL 81 H VAL 81 -4.401 -3.479 0.702 646 HA VAL 81 HA VAL 81 -4.178 -5.263 2.872 647 HB VAL 81 HB VAL 81 -3.023 -2.471 2.635 648 HG11 VAL 81 1HG1 VAL 81 -2.216 -4.753 4.436 649 HG12 VAL 81 2HG1 VAL 81 -3.037 -3.279 4.946 650 HG13 VAL 81 3HG1 VAL 81 -1.397 -3.197 4.302 651 HG21 VAL 81 3HG2 VAL 81 -0.984 -3.601 1.902 652 HG22 VAL 81 1HG2 VAL 81 -2.328 -3.934 0.810 653 HG23 VAL 81 2HG2 VAL 81 -1.815 -5.154 1.976 654 H PHE 82 H PHE 82 -5.465 -1.959 2.673 655 HA PHE 82 HA PHE 82 -6.424 -1.726 5.293 656 HB2 PHE 82 1HB PHE 82 -7.470 -0.587 2.691 657 HB3 PHE 82 2HB PHE 82 -8.144 -0.164 4.261 658 HD1 PHE 82 HD1 PHE 82 -6.080 0.413 6.013 659 HD2 PHE 82 HD2 PHE 82 -6.131 1.019 1.804 660 HE1 PHE 82 HE1 PHE 82 -4.403 2.200 6.250 661 HE2 PHE 82 HE2 PHE 82 -4.452 2.796 2.032 662 HZ PHE 82 HZ PHE 82 -3.582 3.391 4.258 663 H ARG 83 H ARG 83 -8.000 -2.969 2.379 664 HA ARG 83 HA ARG 83 -10.468 -3.702 3.412 665 HB2 ARG 83 1HB ARG 83 -10.035 -3.743 1.047 666 HB3 ARG 83 2HB ARG 83 -8.766 -4.940 1.245 667 HG2 ARG 83 1HG ARG 83 -10.420 -6.601 1.906 668 HG3 ARG 83 2HG ARG 83 -11.702 -5.399 1.728 669 HD2 ARG 83 1HD ARG 83 -11.199 -5.171 -0.633 670 HD3 ARG 83 2HD ARG 83 -9.851 -6.298 -0.476 671 HE ARG 83 HE ARG 83 -11.899 -7.795 0.376 672 HH11 ARG 83 1HH1 ARG 83 -11.567 -5.741 -2.458 673 HH12 ARG 83 2HH1 ARG 83 -12.639 -6.706 -3.431 674 HH21 ARG 83 1HH2 ARG 83 -13.314 -9.046 -0.917 675 HH22 ARG 83 2HH2 ARG 83 -13.600 -8.581 -2.568 676 H TYR 84 H TYR 84 -7.528 -5.676 3.127 677 HA TYR 84 HA TYR 84 -8.410 -8.025 4.304 678 HB2 TYR 84 1HB TYR 84 -6.242 -7.683 3.125 679 HB3 TYR 84 2HB TYR 84 -5.654 -6.785 4.514 680 HD1 TYR 84 HD1 TYR 84 -5.073 -7.948 6.594 681 HD2 TYR 84 HD2 TYR 84 -6.415 -10.090 3.170 682 HE1 TYR 84 HE1 TYR 84 -4.189 -10.026 7.553 683 HE2 TYR 84 HE2 TYR 84 -5.543 -12.179 4.131 684 HH TYR 84 HH TYR 84 -4.194 -12.275 7.396 685 H ALA 85 H ALA 85 -7.016 -5.140 5.811 686 HA ALA 85 HA ALA 85 -6.994 -6.147 8.451 687 HB1 ALA 85 3HB ALA 85 -6.651 -3.843 9.142 688 HB2 ALA 85 1HB ALA 85 -7.103 -3.279 7.535 689 HB3 ALA 85 2HB ALA 85 -5.639 -4.237 7.752 690 H ILE 86 H ILE 86 -9.413 -4.299 6.624 691 HA ILE 86 HA ILE 86 -11.184 -3.863 8.777 692 HB ILE 86 HB ILE 86 -11.838 -4.127 5.835 693 HG12 ILE 86 1HG1 ILE 86 -11.313 -1.682 7.542 694 HG13 ILE 86 2HG1 ILE 86 -10.212 -2.343 6.338 695 HG21 ILE 86 1HG2 ILE 86 -13.874 -2.877 6.372 696 HG22 ILE 86 2HG2 ILE 86 -13.452 -2.922 8.083 697 HG23 ILE 86 3HG2 ILE 86 -13.819 -4.420 7.224 698 HD11 ILE 86 3HD1 ILE 86 -11.840 -1.867 4.587 699 HD12 ILE 86 1HD1 ILE 86 -11.395 -0.413 5.481 700 HD13 ILE 86 2HD1 ILE 86 -12.941 -1.203 5.794 701 H VAL 87 H VAL 87 -10.869 -6.507 6.470 702 HA VAL 87 HA VAL 87 -13.143 -7.962 7.361 703 HB VAL 87 HB VAL 87 -10.680 -8.956 5.916 704 HG11 VAL 87 1HG1 VAL 87 -11.930 -10.785 6.950 705 HG12 VAL 87 2HG1 VAL 87 -12.075 -10.825 5.193 706 HG13 VAL 87 3HG1 VAL 87 -13.407 -10.216 6.175 707 HG21 VAL 87 3HG2 VAL 87 -13.345 -8.043 4.856 708 HG22 VAL 87 1HG2 VAL 87 -12.028 -8.717 3.895 709 HG23 VAL 87 2HG2 VAL 87 -11.819 -7.172 4.722 710 H THR 88 H THR 88 -9.747 -7.946 8.284 711 HA THR 88 HA THR 88 -10.067 -10.246 10.001 712 HB THR 88 HB THR 88 -7.667 -9.698 10.660 713 HG1 THR 88 HG1 THR 88 -7.766 -7.979 8.399 714 HG21 THR 88 3HG2 THR 88 -8.286 -10.151 7.742 715 HG22 THR 88 1HG2 THR 88 -8.224 -11.395 8.991 716 HG23 THR 88 2HG2 THR 88 -6.758 -10.522 8.539 717 H GLY 89 H GLY 89 -10.776 -6.998 10.293 718 HA2 GLY 89 1HA GLY 89 -11.797 -6.010 12.147 719 HA3 GLY 89 2HA GLY 89 -11.247 -7.351 13.138 720 H ARG 90 H ARG 90 -8.975 -5.663 11.148 721 HA ARG 90 HA ARG 90 -7.843 -4.432 13.569 722 HB2 ARG 90 1HB ARG 90 -6.555 -5.485 11.063 723 HB3 ARG 90 2HB ARG 90 -5.711 -4.365 12.127 724 HG2 ARG 90 1HG ARG 90 -5.836 -5.901 13.954 725 HG3 ARG 90 2HG ARG 90 -6.879 -6.984 13.035 726 HD2 ARG 90 1HD ARG 90 -4.082 -6.273 12.188 727 HD3 ARG 90 2HD ARG 90 -4.461 -7.664 13.203 728 HE ARG 90 HE ARG 90 -5.955 -7.549 10.739 729 HH11 ARG 90 1HH1 ARG 90 -3.022 -8.679 12.282 730 HH12 ARG 90 2HH1 ARG 90 -2.768 -9.973 11.145 731 HH21 ARG 90 1HH2 ARG 90 -5.625 -9.243 9.257 732 HH22 ARG 90 2HH2 ARG 90 -4.252 -10.301 9.437 733 H ALA 91 H ALA 91 -9.547 -3.733 10.840 734 HA ALA 91 HA ALA 91 -9.101 -0.894 11.245 735 HB1 ALA 91 3HB ALA 91 -8.885 -0.401 8.861 736 HB2 ALA 91 1HB ALA 91 -8.890 -2.126 8.494 737 HB3 ALA 91 2HB ALA 91 -7.557 -1.424 9.411 738 H LYS 92 H LYS 92 -10.859 0.375 10.070 739 HA LYS 92 HA LYS 92 -13.259 -1.297 9.738 740 HB2 LYS 92 1HB LYS 92 -13.036 1.186 11.434 741 HB3 LYS 92 2HB LYS 92 -14.567 0.460 10.964 742 HG2 LYS 92 1HG LYS 92 -13.891 -1.627 12.087 743 HG3 LYS 92 2HG LYS 92 -12.405 -0.835 12.609 744 HD2 LYS 92 1HD LYS 92 -13.711 0.806 13.861 745 HD3 LYS 92 2HD LYS 92 -15.206 0.032 13.325 746 HE2 LYS 92 1HE LYS 92 -14.549 -2.028 14.465 747 HE3 LYS 92 2HE LYS 92 -13.046 -1.266 14.983 748 HZ1 LYS 92 3HZ LYS 92 -14.626 -1.208 16.765 749 HZ2 LYS 92 1HZ LYS 92 -15.797 -0.477 15.780 750 HZ3 LYS 92 2HZ LYS 92 -14.391 0.373 16.205 751 H TYR 93 H TYR 93 -11.361 1.250 8.515 752 HA TYR 93 HA TYR 93 -13.355 1.652 6.426 753 HB2 TYR 93 1HB TYR 93 -13.436 4.006 6.558 754 HB3 TYR 93 2HB TYR 93 -13.608 3.469 8.223 755 HD1 TYR 93 HD2 TYR 93 -11.631 3.648 9.773 756 HD2 TYR 93 HD1 TYR 93 -11.629 5.376 5.885 757 HE1 TYR 93 HE2 TYR 93 -9.740 5.086 10.414 758 HE2 TYR 93 HE1 TYR 93 -9.741 6.814 6.512 759 HH TYR 93 HH TYR 93 -7.959 6.342 9.419 760 H ASN 94 H ASN 94 -12.437 2.769 4.518 761 HA ASN 94 HA ASN 94 -9.530 2.297 4.320 762 HB2 ASN 94 1HB ASN 94 -11.410 2.690 1.986 763 HB3 ASN 94 2HB ASN 94 -9.774 2.044 1.960 764 HD21 ASN 94 2HD2 ASN 94 -9.439 -0.109 2.474 765 HD22 ASN 94 1HD2 ASN 94 -10.736 -1.244 2.619 766 HA PRO 95 HA PRO 95 -9.210 6.754 3.671 767 HB2 PRO 95 1HB PRO 95 -6.407 6.269 3.067 768 HB3 PRO 95 2HB PRO 95 -7.110 7.115 4.446 769 HG2 PRO 95 1HG PRO 95 -5.846 4.716 4.665 770 HG3 PRO 95 2HG PRO 95 -7.156 5.227 5.747 771 HD2 PRO 95 1HD PRO 95 -7.261 3.389 3.380 772 HD3 PRO 95 2HD PRO 95 -8.049 3.230 4.965 773 H ALA 96 H ALA 96 -9.435 4.384 1.566 774 HA ALA 96 HA ALA 96 -8.020 5.148 -0.727 775 HB1 ALA 96 3HB ALA 96 -9.010 2.930 -0.434 776 HB2 ALA 96 1HB ALA 96 -9.503 3.677 -1.954 777 HB3 ALA 96 2HB ALA 96 -10.621 3.632 -0.588 778 HA PRO 97 HA PRO 97 -12.171 7.565 -2.012 779 HB2 PRO 97 1HB PRO 97 -13.180 8.753 0.316 780 HB3 PRO 97 2HB PRO 97 -13.936 7.435 -0.583 781 HG2 PRO 97 1HG PRO 97 -12.227 7.330 1.863 782 HG3 PRO 97 2HG PRO 97 -13.639 6.345 1.431 783 HD2 PRO 97 1HD PRO 97 -11.174 5.358 1.231 784 HD3 PRO 97 2HD PRO 97 -12.404 4.982 0.005 785 H ASP 98 H ASP 98 -10.558 8.532 0.999 786 HA ASP 98 HA ASP 98 -10.252 11.247 0.263 787 HB2 ASP 98 1HB ASP 98 -8.911 9.580 2.394 788 HB3 ASP 98 2HB ASP 98 -8.651 11.312 2.209 789 H LEU 99 H LEU 99 -8.304 8.393 -0.198 790 HA LEU 99 HA LEU 99 -5.864 9.554 -0.902 791 HB2 LEU 99 1HB LEU 99 -6.251 7.136 -0.557 792 HB3 LEU 99 2HB LEU 99 -7.184 7.078 -2.036 793 HG LEU 99 HG LEU 99 -4.787 6.188 -2.086 794 HD11 LEU 99 1HD1 LEU 99 -5.609 8.258 -4.117 795 HD12 LEU 99 2HD1 LEU 99 -6.073 6.556 -4.111 796 HD13 LEU 99 3HD1 LEU 99 -4.385 7.007 -4.351 797 HD21 LEU 99 3HD2 LEU 99 -3.043 7.839 -2.502 798 HD22 LEU 99 1HD2 LEU 99 -3.725 8.009 -0.885 799 HD23 LEU 99 2HD2 LEU 99 -4.186 9.137 -2.160 800 H ALA 100 H ALA 100 -8.718 8.834 -2.871 801 HA ALA 100 HA ALA 100 -7.652 9.774 -5.317 802 HB1 ALA 100 3HB ALA 100 -10.551 9.593 -4.501 803 HB2 ALA 100 1HB ALA 100 -9.597 8.263 -5.157 804 HB3 ALA 100 2HB ALA 100 -9.923 9.686 -6.146 805 H ASP 101 H ASP 101 -9.501 11.310 -2.736 806 HA ASP 101 HA ASP 101 -9.870 13.788 -4.078 807 HB2 ASP 101 1HB ASP 101 -11.299 13.142 -2.196 808 HB3 ASP 101 2HB ASP 101 -9.908 13.179 -1.114 809 H ALA 102 H ALA 102 -7.464 12.584 -1.805 810 HA ALA 102 HA ALA 102 -6.016 14.987 -1.519 811 HB1 ALA 102 3HB ALA 102 -4.213 13.593 -0.648 812 HB2 ALA 102 1HB ALA 102 -5.024 12.150 -1.256 813 HB3 ALA 102 2HB ALA 102 -5.769 13.108 0.025 814 H MET 103 H MET 103 -5.825 12.348 -3.849 815 HA MET 103 HA MET 103 -3.503 13.152 -5.201 816 HB2 MET 103 1HB MET 103 -4.694 10.990 -5.554 817 HB3 MET 103 2HB MET 103 -5.969 11.862 -6.394 818 HG2 MET 103 1HG MET 103 -4.378 12.560 -8.102 819 HG3 MET 103 2HG MET 103 -3.085 11.715 -7.252 820 HE1 MET 103 3HE MET 103 -4.626 9.068 -6.272 821 HE2 MET 103 1HE MET 103 -2.996 9.087 -6.943 822 HE3 MET 103 2HE MET 103 -4.202 7.976 -7.589 823 H LYS 104 H LYS 104 -6.852 14.121 -5.496 824 HA LYS 104 HA LYS 104 -6.492 15.919 -7.678 825 HB2 LYS 104 1HB LYS 104 -8.652 14.936 -7.241 826 HB3 LYS 104 2HB LYS 104 -8.669 15.593 -5.614 827 HG2 LYS 104 1HG LYS 104 -8.719 17.877 -6.616 828 HG3 LYS 104 2HG LYS 104 -8.913 17.112 -8.198 829 HD2 LYS 104 1HD LYS 104 -10.954 16.041 -7.465 830 HD3 LYS 104 2HD LYS 104 -10.739 16.682 -5.837 831 HE2 LYS 104 1HE LYS 104 -10.897 18.971 -6.788 832 HE3 LYS 104 2HE LYS 104 -11.271 18.251 -8.353 833 HZ1 LYS 104 3HZ LYS 104 -12.858 17.898 -5.863 834 HZ2 LYS 104 1HZ LYS 104 -13.222 17.215 -7.374 835 HZ3 LYS 104 2HZ LYS 104 -13.277 18.900 -7.166 836 H GLY 105 H GLY 105 -6.781 16.316 -4.174 837 HA2 GLY 105 1HA GLY 105 -6.669 19.147 -4.176 838 HA3 GLY 105 2HA GLY 105 -6.400 18.106 -2.788 839 H TYR 106 H TYR 106 -4.160 16.704 -4.111 840 HA TYR 106 HA TYR 106 -2.073 18.418 -3.230 841 HB2 TYR 106 1HB TYR 106 -2.225 15.795 -3.388 842 HB3 TYR 106 2HB TYR 106 -1.553 16.053 -4.991 843 HD1 TYR 106 HD1 TYR 106 -0.936 16.467 -1.381 844 HD2 TYR 106 HD2 TYR 106 0.759 16.602 -5.281 845 HE1 TYR 106 HE1 TYR 106 1.311 16.537 -0.394 846 HE2 TYR 106 HE2 TYR 106 3.015 16.675 -4.302 847 HH TYR 106 HH TYR 106 4.150 17.145 -2.309 848 H ARG 107 H ARG 107 -3.740 18.130 -6.170 849 HA ARG 107 HA ARG 107 -1.655 18.994 -7.935 850 HB2 ARG 107 1HB ARG 107 -3.627 17.679 -8.675 851 HB3 ARG 107 2HB ARG 107 -4.657 19.052 -8.306 852 HG2 ARG 107 1HG ARG 107 -3.457 20.375 -10.002 853 HG3 ARG 107 2HG ARG 107 -2.501 18.946 -10.403 854 HD2 ARG 107 1HD ARG 107 -4.545 17.748 -11.003 855 HD3 ARG 107 2HD ARG 107 -5.500 19.173 -10.593 856 HE ARG 107 HE ARG 107 -3.492 19.186 -12.756 857 HH11 ARG 107 1HH1 ARG 107 -6.680 19.906 -11.511 858 HH12 ARG 107 2HH1 ARG 107 -7.211 20.702 -12.960 859 HH21 ARG 107 1HH2 ARG 107 -4.192 20.224 -14.682 860 HH22 ARG 107 2HH2 ARG 107 -5.813 20.848 -14.774 861 H LYS 108 H LYS 108 -3.515 20.536 -5.589 862 HA LYS 108 HA LYS 108 -3.725 23.127 -6.773 863 HB2 LYS 108 1HB LYS 108 -3.750 22.268 -3.872 864 HB3 LYS 108 2HB LYS 108 -4.136 23.887 -4.438 865 HG2 LYS 108 1HG LYS 108 -6.089 23.124 -5.551 866 HG3 LYS 108 2HG LYS 108 -5.640 21.433 -5.311 867 HD2 LYS 108 1HD LYS 108 -5.881 21.707 -2.899 868 HD3 LYS 108 2HD LYS 108 -6.303 23.405 -3.128 869 HE2 LYS 108 1HE LYS 108 -8.308 22.801 -4.310 870 HE3 LYS 108 2HE LYS 108 -7.858 21.095 -4.280 871 HZ1 LYS 108 3HZ LYS 108 -8.214 20.976 -1.981 872 HZ2 LYS 108 1HZ LYS 108 -9.532 21.864 -2.572 873 HZ3 LYS 108 2HZ LYS 108 -8.253 22.663 -1.798 874 H LYS 109 H LYS 109 -1.215 21.333 -5.295 875 HA LYS 109 HA LYS 109 0.397 23.651 -4.639 876 HB2 LYS 109 1HB LYS 109 0.973 20.689 -4.500 877 HB3 LYS 109 2HB LYS 109 2.112 21.935 -4.016 878 HG2 LYS 109 1HG LYS 109 0.588 22.681 -2.276 879 HG3 LYS 109 2HG LYS 109 -0.595 21.470 -2.781 880 HD2 LYS 109 1HD LYS 109 0.924 19.684 -2.207 881 HD3 LYS 109 2HD LYS 109 2.199 20.842 -1.832 882 HE2 LYS 109 1HE LYS 109 -0.432 20.618 -0.376 883 HE3 LYS 109 2HE LYS 109 1.097 19.945 0.185 884 HZ1 LYS 109 3HZ LYS 109 0.281 22.778 -0.016 885 HZ2 LYS 109 1HZ LYS 109 1.927 22.356 -0.025 886 HZ3 LYS 109 2HZ LYS 109 0.952 21.946 1.300 887 H ASN 110 H ASN 110 2.118 24.390 -5.777 888 HA ASN 110 HA ASN 110 2.729 23.006 -8.309 889 HB2 ASN 110 1HB ASN 110 2.971 25.947 -7.628 890 HB3 ASN 110 2HB ASN 110 3.554 25.221 -9.120 891 HD21 ASN 110 2HD2 ASN 110 1.246 23.377 -9.248 892 HD22 ASN 110 1HD2 ASN 110 -0.089 24.344 -9.770 893 H LEU 111 H LEU 111 4.705 22.215 -8.528 894 HA LEU 111 HA LEU 111 6.505 22.150 -6.367 895 HB2 LEU 111 1HB LEU 111 6.372 20.368 -8.029 896 HB3 LEU 111 2HB LEU 111 6.939 21.465 -9.273 897 HG LEU 111 HG LEU 111 9.107 21.652 -8.073 898 HD11 LEU 111 1HD1 LEU 111 7.932 19.496 -6.324 899 HD12 LEU 111 2HD1 LEU 111 8.360 21.132 -5.824 900 HD13 LEU 111 3HD1 LEU 111 9.620 20.006 -6.326 901 HD21 LEU 111 3HD2 LEU 111 8.255 18.851 -8.788 902 HD22 LEU 111 1HD2 LEU 111 9.918 19.426 -8.678 903 HD23 LEU 111 2HD2 LEU 111 8.838 20.079 -9.912 904 H GLU 112 H GLU 112 6.527 23.970 -9.404 905 HA GLU 112 HA GLU 112 9.032 25.233 -8.765 906 HB2 GLU 112 1HB GLU 112 7.036 25.880 -10.933 907 HB3 GLU 112 2HB GLU 112 8.651 26.559 -10.797 908 HG2 GLU 112 1HG GLU 112 9.549 24.234 -10.997 909 HG3 GLU 112 2HG GLU 112 7.906 23.701 -11.358 910 H HIS 113 H HIS 113 8.708 26.280 -6.825 911 HA HIS 113 HA HIS 113 6.737 28.395 -6.659 912 HB2 HIS 113 1HB HIS 113 8.974 27.576 -4.791 913 HB3 HIS 113 2HB HIS 113 7.866 28.907 -4.470 914 HD1 HIS 113 HD1 HIS 113 5.438 28.295 -3.793 915 HD2 HIS 113 HD2 HIS 113 7.900 25.010 -4.460 916 HE1 HIS 113 HE1 HIS 113 4.186 26.317 -2.883 917 HE2 HIS 113 HE2 HIS 113 5.647 24.321 -3.380 918 H HIS 114 H HIS 114 7.144 30.568 -6.775 919 HA HIS 114 HA HIS 114 8.032 32.439 -7.692 920 HB2 HIS 114 1HB HIS 114 10.658 31.105 -7.003 921 HB3 HIS 114 2HB HIS 114 10.528 32.739 -7.644 922 HD1 HIS 114 HD1 HIS 114 9.714 34.581 -6.054 923 HD2 HIS 114 HD2 HIS 114 9.835 30.797 -4.328 924 HE1 HIS 114 HE1 HIS 114 9.434 34.949 -3.579 925 HE2 HIS 114 HE2 HIS 114 9.375 32.635 -2.571 926 H HIS 115 H HIS 115 6.993 31.266 -9.576 927 HA HIS 115 HA HIS 115 8.594 30.019 -11.545 928 HB2 HIS 115 1HB HIS 115 5.843 30.801 -11.254 929 HB3 HIS 115 2HB HIS 115 6.422 31.273 -12.847 930 HD1 HIS 115 HD1 HIS 115 4.466 28.799 -11.781 931 HD2 HIS 115 HD2 HIS 115 8.236 28.637 -13.532 932 HE1 HIS 115 HE1 HIS 115 4.642 26.509 -12.808 933 HE2 HIS 115 HE2 HIS 115 7.017 26.353 -13.642 934 H HIS 116 H HIS 116 7.545 33.359 -11.088 935 HA HIS 116 HA HIS 116 9.458 34.158 -13.191 936 HB2 HIS 116 1HB HIS 116 6.952 35.607 -12.299 937 HB3 HIS 116 2HB HIS 116 8.076 36.168 -13.532 938 HD1 HIS 116 HD1 HIS 116 7.854 35.172 -15.873 939 HD2 HIS 116 HD2 HIS 116 5.310 33.434 -13.077 940 HE1 HIS 116 HE1 HIS 116 6.244 33.758 -17.197 941 HE2 HIS 116 HE2 HIS 116 4.841 32.574 -15.471 942 H HIS 117 H HIS 117 10.405 36.347 -12.833 943 HA HIS 117 HA HIS 117 11.279 36.633 -10.099 944 HB2 HIS 117 1HB HIS 117 11.837 38.301 -12.564 945 HB3 HIS 117 2HB HIS 117 12.582 38.577 -10.990 946 HD1 HIS 117 HD1 HIS 117 13.577 37.311 -14.015 947 HD2 HIS 117 HD2 HIS 117 13.643 35.693 -10.183 948 HE1 HIS 117 HE1 HIS 117 15.329 35.505 -14.068 949 HE2 HIS 117 HE2 HIS 117 15.233 34.434 -11.784 950 H HIS 118 H HIS 118 9.283 38.411 -12.380 951 HA HIS 118 HA HIS 118 8.043 39.788 -10.093 952 HB2 HIS 118 1HB HIS 118 9.323 41.392 -11.470 953 HB3 HIS 118 2HB HIS 118 8.416 40.888 -12.892 954 HD1 HIS 118 HD1 HIS 118 7.788 42.494 -9.510 955 HD2 HIS 118 HD2 HIS 118 6.124 42.309 -13.316 956 HE1 HIS 118 HE1 HIS 118 5.911 44.166 -9.512 957 HE2 HIS 118 HE2 HIS 118 4.776 43.854 -11.736 Start of MODEL 8 1 H1 SER 1 1H SER 1 1.456 -7.290 19.524 2 H2 SER 1 2H SER 1 1.648 -7.205 21.203 3 H3 SER 1 3H SER 1 2.266 -8.534 20.347 4 HA SER 1 HA SER 1 4.033 -7.041 20.957 5 HB2 SER 1 1HB SER 1 3.406 -6.919 17.991 6 HB3 SER 1 2HB SER 1 4.999 -6.733 18.726 7 HG SER 1 HG SER 1 5.175 -8.819 18.791 8 H SER 2 H SER 2 5.117 -4.936 20.184 9 HA SER 2 HA SER 2 3.450 -2.768 20.938 10 HB2 SER 2 1HB SER 2 5.932 -2.886 21.312 11 HB3 SER 2 2HB SER 2 6.156 -2.630 19.582 12 HG SER 2 HG SER 2 5.028 -0.624 19.834 13 H ASN 3 H ASN 3 1.915 -1.957 19.714 14 HA ASN 3 HA ASN 3 0.767 -1.068 17.973 15 HB2 ASN 3 1HB ASN 3 3.489 -0.816 16.669 16 HB3 ASN 3 2HB ASN 3 2.017 -0.012 16.136 17 HD21 ASN 3 2HD2 ASN 3 1.228 1.731 17.297 18 HD22 ASN 3 1HD2 ASN 3 2.166 2.535 18.506 19 H ASN 4 H ASN 4 -0.372 -2.925 17.476 20 HA ASN 4 HA ASN 4 0.824 -4.750 15.531 21 HB2 ASN 4 1HB ASN 4 -1.181 -5.036 17.661 22 HB3 ASN 4 2HB ASN 4 -1.561 -5.905 16.177 23 HD21 ASN 4 2HD2 ASN 4 1.119 -6.419 15.394 24 HD22 ASN 4 1HD2 ASN 4 1.753 -7.618 16.470 25 H ASN 5 H ASN 5 -1.048 -2.050 15.480 26 HA ASN 5 HA ASN 5 -2.582 -2.931 13.143 27 HB2 ASN 5 1HB ASN 5 -2.807 -0.532 14.944 28 HB3 ASN 5 2HB ASN 5 -3.561 -0.543 13.352 29 HD21 ASN 5 2HD2 ASN 5 -4.803 -0.410 15.968 30 HD22 ASN 5 1HD2 ASN 5 -5.868 -1.768 16.067 31 H SER 6 H SER 6 0.402 -2.080 13.590 32 HA SER 6 HA SER 6 0.913 0.130 11.949 33 HB2 SER 6 1HB SER 6 2.655 -2.304 12.380 34 HB3 SER 6 2HB SER 6 3.193 -0.718 11.825 35 HG SER 6 HG SER 6 2.109 -0.039 13.946 36 H PHE 7 H PHE 7 1.233 0.358 9.755 37 HA PHE 7 HA PHE 7 -0.093 -1.367 8.004 38 HB2 PHE 7 1HB PHE 7 0.460 1.023 7.520 39 HB3 PHE 7 2HB PHE 7 2.139 0.548 7.285 40 HD1 PHE 7 HD1 PHE 7 -1.239 0.452 5.890 41 HD2 PHE 7 HD2 PHE 7 2.820 -0.700 5.318 42 HE1 PHE 7 HE1 PHE 7 -1.719 -0.060 3.530 43 HE2 PHE 7 HE2 PHE 7 2.345 -1.214 2.959 44 HZ PHE 7 HZ PHE 7 0.074 -0.891 2.062 45 H SER 8 H SER 8 3.378 -1.044 8.720 46 HA SER 8 HA SER 8 4.370 -3.001 7.027 47 HB2 SER 8 1HB SER 8 6.155 -3.247 8.879 48 HB3 SER 8 2HB SER 8 5.946 -1.657 8.137 49 HG SER 8 HG SER 8 5.474 -0.930 10.035 50 H ALA 9 H ALA 9 2.941 -3.361 10.239 51 HA ALA 9 HA ALA 9 3.552 -6.092 10.585 52 HB1 ALA 9 3HB ALA 9 2.918 -4.635 12.444 53 HB2 ALA 9 1HB ALA 9 1.881 -6.059 12.361 54 HB3 ALA 9 2HB ALA 9 1.287 -4.502 11.787 55 H ILE 10 H ILE 10 0.535 -4.502 9.503 56 HA ILE 10 HA ILE 10 -0.797 -6.950 8.957 57 HB ILE 10 HB ILE 10 -1.369 -4.163 7.925 58 HG12 ILE 10 1HG1 ILE 10 -2.622 -5.747 10.183 59 HG13 ILE 10 2HG1 ILE 10 -1.455 -4.445 10.395 60 HG21 ILE 10 1HG2 ILE 10 -3.092 -6.642 7.877 61 HG22 ILE 10 2HG2 ILE 10 -2.381 -5.839 6.477 62 HG23 ILE 10 3HG2 ILE 10 -3.621 -5.021 7.427 63 HD11 ILE 10 3HD1 ILE 10 -3.026 -2.863 9.436 64 HD12 ILE 10 1HD1 ILE 10 -3.741 -3.707 10.809 65 HD13 ILE 10 2HD1 ILE 10 -4.187 -4.162 9.164 66 H TYR 11 H TYR 11 1.135 -4.734 7.009 67 HA TYR 11 HA TYR 11 0.740 -5.942 4.509 68 HB2 TYR 11 1HB TYR 11 1.791 -3.811 4.546 69 HB3 TYR 11 2HB TYR 11 3.051 -4.367 5.644 70 HD1 TYR 11 HD1 TYR 11 1.713 -4.935 2.214 71 HD2 TYR 11 HD2 TYR 11 5.087 -5.078 4.799 72 HE1 TYR 11 HE1 TYR 11 3.146 -5.505 0.301 73 HE2 TYR 11 HE2 TYR 11 6.529 -5.643 2.894 74 HH TYR 11 HH TYR 11 6.303 -6.665 0.673 75 H LYS 12 H LYS 12 3.139 -6.606 7.054 76 HA LYS 12 HA LYS 12 4.611 -8.559 5.701 77 HB2 LYS 12 1HB LYS 12 5.338 -7.590 7.826 78 HB3 LYS 12 2HB LYS 12 3.988 -8.348 8.655 79 HG2 LYS 12 1HG LYS 12 5.973 -9.604 9.101 80 HG3 LYS 12 2HG LYS 12 4.921 -10.563 8.058 81 HD2 LYS 12 1HD LYS 12 6.258 -9.818 6.105 82 HD3 LYS 12 2HD LYS 12 7.350 -8.981 7.214 83 HE2 LYS 12 1HE LYS 12 7.810 -11.140 8.328 84 HE3 LYS 12 2HE LYS 12 6.786 -11.944 7.140 85 HZ1 LYS 12 3HZ LYS 12 8.315 -11.048 5.406 86 HZ2 LYS 12 1HZ LYS 12 9.025 -12.182 6.450 87 HZ3 LYS 12 2HZ LYS 12 9.345 -10.528 6.644 88 H GLU 13 H GLU 13 1.719 -8.848 7.710 89 HA GLU 13 HA GLU 13 1.442 -11.651 7.541 90 HB2 GLU 13 1HB GLU 13 0.289 -10.262 9.213 91 HB3 GLU 13 2HB GLU 13 -0.669 -9.520 7.940 92 HG2 GLU 13 1HG GLU 13 -1.687 -11.682 7.445 93 HG3 GLU 13 2HG GLU 13 -0.726 -12.425 8.724 94 H TRP 14 H TRP 14 -0.091 -9.020 5.722 95 HA TRP 14 HA TRP 14 -1.598 -10.571 3.960 96 HB2 TRP 14 1HB TRP 14 -2.011 -8.216 4.202 97 HB3 TRP 14 2HB TRP 14 -0.386 -7.817 3.664 98 HD1 TRP 14 HD1 TRP 14 -3.654 -9.331 2.233 99 HE1 TRP 14 HE1 TRP 14 -3.779 -8.721 -0.273 100 HE3 TRP 14 HE3 TRP 14 0.877 -7.024 1.747 101 HZ2 TRP 14 HZ2 TRP 14 -2.155 -7.427 -2.188 102 HZ3 TRP 14 HZ3 TRP 14 1.515 -6.122 -0.447 103 HH2 TRP 14 HH2 TRP 14 0.030 -6.320 -2.378 104 H TYR 15 H TYR 15 1.713 -9.338 3.656 105 HA TYR 15 HA TYR 15 2.235 -10.111 1.036 106 HB2 TYR 15 1HB TYR 15 3.797 -8.688 2.147 107 HB3 TYR 15 2HB TYR 15 4.084 -9.882 3.410 108 HD1 TYR 15 HD2 TYR 15 4.160 -9.865 -0.334 109 HD2 TYR 15 HD1 TYR 15 6.161 -10.878 3.283 110 HE1 TYR 15 HE2 TYR 15 6.021 -10.805 -1.633 111 HE2 TYR 15 HE1 TYR 15 8.027 -11.824 1.991 112 HH TYR 15 HH TYR 15 8.411 -11.283 -1.334 113 H GLU 16 H GLU 16 3.101 -11.941 4.001 114 HA GLU 16 HA GLU 16 4.066 -14.145 2.505 115 HB2 GLU 16 1HB GLU 16 3.253 -13.989 5.409 116 HB3 GLU 16 2HB GLU 16 4.092 -15.351 4.676 117 HG2 GLU 16 1HG GLU 16 5.917 -13.756 4.033 118 HG3 GLU 16 2HG GLU 16 5.104 -12.542 5.019 119 H HIS 17 H HIS 17 0.908 -13.284 3.652 120 HA HIS 17 HA HIS 17 -0.298 -15.841 3.328 121 HB2 HIS 17 1HB HIS 17 -1.318 -14.017 4.655 122 HB3 HIS 17 2HB HIS 17 -1.560 -13.089 3.181 123 HD1 HIS 17 HD1 HIS 17 -2.942 -15.962 5.134 124 HD2 HIS 17 HD2 HIS 17 -3.699 -13.945 1.571 125 HE1 HIS 17 HE1 HIS 17 -5.233 -16.706 4.400 126 HE2 HIS 17 HE2 HIS 17 -5.717 -15.387 2.302 127 H LYS 18 H LYS 18 -0.133 -12.958 1.220 128 HA LYS 18 HA LYS 18 -1.443 -14.287 -0.959 129 HB2 LYS 18 1HB LYS 18 0.152 -11.719 -0.885 130 HB3 LYS 18 2HB LYS 18 -0.758 -12.288 -2.276 131 HG2 LYS 18 1HG LYS 18 -1.934 -11.611 0.411 132 HG3 LYS 18 2HG LYS 18 -1.954 -10.568 -1.011 133 HD2 LYS 18 1HD LYS 18 -3.199 -13.314 -0.875 134 HD3 LYS 18 2HD LYS 18 -4.078 -11.802 -0.651 135 HE2 LYS 18 1HE LYS 18 -2.586 -12.634 -3.139 136 HE3 LYS 18 2HE LYS 18 -4.336 -12.658 -2.928 137 HZ1 LYS 18 3HZ LYS 18 -4.230 -10.218 -2.569 138 HZ2 LYS 18 1HZ LYS 18 -3.724 -10.695 -4.121 139 HZ3 LYS 18 2HZ LYS 18 -2.583 -10.266 -2.952 140 H LYS 19 H LYS 19 1.785 -14.061 0.180 141 HA LYS 19 HA LYS 19 3.196 -14.697 -2.176 142 HB2 LYS 19 1HB LYS 19 4.331 -13.834 -0.224 143 HB3 LYS 19 2HB LYS 19 3.811 -15.206 0.739 144 HG2 LYS 19 1HG LYS 19 5.202 -16.685 -0.627 145 HG3 LYS 19 2HG LYS 19 5.736 -15.292 -1.573 146 HD2 LYS 19 1HD LYS 19 6.838 -14.334 0.294 147 HD3 LYS 19 2HD LYS 19 6.064 -15.457 1.414 148 HE2 LYS 19 1HE LYS 19 8.056 -16.204 -0.723 149 HE3 LYS 19 2HE LYS 19 8.411 -16.040 0.996 150 HZ1 LYS 19 3HZ LYS 19 6.678 -17.798 1.367 151 HZ2 LYS 19 1HZ LYS 19 8.083 -18.326 0.572 152 HZ3 LYS 19 2HZ LYS 19 6.660 -18.051 -0.309 153 H GLN 20 H GLN 20 1.216 -16.577 -0.071 154 HA GLN 20 HA GLN 20 2.224 -19.115 -1.081 155 HB2 GLN 20 1HB GLN 20 -0.086 -18.496 0.773 156 HB3 GLN 20 2HB GLN 20 0.511 -20.107 0.394 157 HG2 GLN 20 1HG GLN 20 2.642 -19.587 1.417 158 HG3 GLN 20 2HG GLN 20 2.105 -17.941 1.743 159 HE21 GLN 20 2HE2 GLN 20 3.029 -19.980 3.587 160 HE22 GLN 20 1HE2 GLN 20 1.743 -20.206 4.728 161 H VAL 21 H VAL 21 0.469 -16.789 -2.374 162 HA VAL 21 HA VAL 21 -1.313 -18.619 -3.842 163 HB VAL 21 HB VAL 21 -1.661 -15.636 -3.476 164 HG11 VAL 21 1HG1 VAL 21 -2.593 -16.429 -5.569 165 HG12 VAL 21 2HG1 VAL 21 -3.890 -16.018 -4.447 166 HG13 VAL 21 3HG1 VAL 21 -3.463 -17.707 -4.723 167 HG21 VAL 21 3HG2 VAL 21 -3.149 -17.912 -2.172 168 HG22 VAL 21 1HG2 VAL 21 -3.553 -16.201 -2.024 169 HG23 VAL 21 2HG2 VAL 21 -2.031 -16.808 -1.372 170 H TRP 22 H TRP 22 0.822 -15.822 -4.049 171 HA TRP 22 HA TRP 22 0.884 -15.852 -6.937 172 HB2 TRP 22 1HB TRP 22 2.547 -14.307 -4.935 173 HB3 TRP 22 2HB TRP 22 2.607 -14.081 -6.676 174 HD1 TRP 22 HD1 TRP 22 -0.648 -14.162 -7.070 175 HE1 TRP 22 HE1 TRP 22 -1.972 -12.057 -6.398 176 HE3 TRP 22 HE3 TRP 22 2.762 -12.031 -3.911 177 HZ2 TRP 22 HZ2 TRP 22 -1.616 -9.800 -4.746 178 HZ3 TRP 22 HZ3 TRP 22 2.192 -9.897 -2.828 179 HH2 TRP 22 HH2 TRP 22 0.047 -8.805 -3.238 180 H SER 23 H SER 23 3.374 -15.517 -7.717 181 HA SER 23 HA SER 23 4.779 -17.971 -6.981 182 HB2 SER 23 1HB SER 23 5.434 -16.018 -9.201 183 HB3 SER 23 2HB SER 23 6.038 -17.666 -9.015 184 HG SER 23 HG SER 23 3.630 -18.179 -9.085 185 H VAL 24 H VAL 24 7.198 -17.787 -6.698 186 HA VAL 24 HA VAL 24 7.590 -16.059 -4.501 187 HB VAL 24 HB VAL 24 8.700 -18.241 -4.671 188 HG11 VAL 24 1HG1 VAL 24 9.278 -18.282 -7.011 189 HG12 VAL 24 2HG1 VAL 24 10.735 -18.490 -6.037 190 HG13 VAL 24 3HG1 VAL 24 10.391 -16.932 -6.791 191 HG21 VAL 24 3HG2 VAL 24 10.616 -15.930 -4.403 192 HG22 VAL 24 1HG2 VAL 24 10.875 -17.562 -3.786 193 HG23 VAL 24 2HG2 VAL 24 9.570 -16.570 -3.136 194 H GLY 25 H GLY 25 8.896 -15.909 -7.825 195 HA2 GLY 25 1HA GLY 25 10.560 -13.667 -7.380 196 HA3 GLY 25 2HA GLY 25 9.952 -14.196 -8.942 197 H TYR 26 H TYR 26 7.305 -13.897 -8.753 198 HA TYR 26 HA TYR 26 6.839 -11.182 -9.158 199 HB2 TYR 26 1HB TYR 26 5.386 -12.960 -10.035 200 HB3 TYR 26 2HB TYR 26 4.856 -13.342 -8.401 201 HD1 TYR 26 HD2 TYR 26 4.813 -10.685 -10.990 202 HD2 TYR 26 HD1 TYR 26 3.053 -12.186 -7.421 203 HE1 TYR 26 HE2 TYR 26 2.982 -9.062 -11.218 204 HE2 TYR 26 HE1 TYR 26 1.217 -10.565 -7.638 205 HH TYR 26 HH TYR 26 0.623 -8.829 -10.476 206 H ALA 27 H ALA 27 6.242 -13.177 -6.281 207 HA ALA 27 HA ALA 27 5.012 -11.140 -4.756 208 HB1 ALA 27 3HB ALA 27 5.397 -12.586 -2.834 209 HB2 ALA 27 1HB ALA 27 6.513 -13.570 -3.782 210 HB3 ALA 27 2HB ALA 27 4.801 -13.518 -4.209 211 H THR 28 H THR 28 8.373 -12.207 -5.046 212 HA THR 28 HA THR 28 9.423 -10.574 -3.002 213 HB THR 28 HB THR 28 10.836 -11.600 -5.473 214 HG1 THR 28 HG1 THR 28 9.919 -13.303 -4.270 215 HG21 THR 28 3HG2 THR 28 11.915 -10.723 -2.790 216 HG22 THR 28 1HG2 THR 28 12.103 -9.860 -4.315 217 HG23 THR 28 2HG2 THR 28 12.863 -11.436 -4.095 218 H GLU 29 H GLU 29 9.075 -10.042 -6.507 219 HA GLU 29 HA GLU 29 10.339 -7.528 -6.578 220 HB2 GLU 29 1HB GLU 29 8.236 -8.744 -8.363 221 HB3 GLU 29 2HB GLU 29 8.988 -7.189 -8.689 222 HG2 GLU 29 1HG GLU 29 11.193 -8.321 -8.710 223 HG3 GLU 29 2HG GLU 29 10.353 -9.863 -8.539 224 H LEU 30 H LEU 30 6.927 -8.412 -6.212 225 HA LEU 30 HA LEU 30 5.910 -5.795 -6.073 226 HB2 LEU 30 1HB LEU 30 4.514 -7.769 -6.465 227 HB3 LEU 30 2HB LEU 30 4.854 -8.350 -4.849 228 HG LEU 30 HG LEU 30 3.568 -5.672 -5.121 229 HD11 LEU 30 1HD1 LEU 30 2.318 -7.042 -6.694 230 HD12 LEU 30 2HD1 LEU 30 1.360 -6.724 -5.248 231 HD13 LEU 30 3HD1 LEU 30 2.127 -8.297 -5.470 232 HD21 LEU 30 3HD2 LEU 30 3.196 -7.977 -3.206 233 HD22 LEU 30 1HD2 LEU 30 2.444 -6.386 -3.078 234 HD23 LEU 30 2HD2 LEU 30 4.192 -6.550 -2.917 235 H ALA 31 H ALA 31 7.145 -7.981 -3.604 236 HA ALA 31 HA ALA 31 6.423 -6.444 -1.367 237 HB1 ALA 31 3HB ALA 31 7.018 -8.773 -1.153 238 HB2 ALA 31 1HB ALA 31 8.080 -7.786 -0.150 239 HB3 ALA 31 2HB ALA 31 8.667 -8.428 -1.684 240 H LYS 32 H LYS 32 9.467 -6.568 -3.214 241 HA LYS 32 HA LYS 32 10.792 -4.679 -1.579 242 HB2 LYS 32 1HB LYS 32 12.031 -6.217 -3.006 243 HB3 LYS 32 2HB LYS 32 11.337 -5.475 -4.442 244 HG2 LYS 32 1HG LYS 32 12.537 -3.479 -4.116 245 HG3 LYS 32 2HG LYS 32 12.981 -3.926 -2.469 246 HD2 LYS 32 1HD LYS 32 14.378 -5.731 -3.329 247 HD3 LYS 32 2HD LYS 32 13.917 -5.308 -4.981 248 HE2 LYS 32 1HE LYS 32 16.136 -4.418 -4.280 249 HE3 LYS 32 2HE LYS 32 14.995 -3.183 -4.812 250 HZ1 LYS 32 3HZ LYS 32 16.284 -2.659 -2.745 251 HZ2 LYS 32 1HZ LYS 32 15.403 -3.870 -1.953 252 HZ3 LYS 32 2HZ LYS 32 14.600 -2.517 -2.597 253 H MET 33 H MET 33 8.687 -4.387 -4.350 254 HA MET 33 HA MET 33 9.078 -1.682 -4.956 255 HB2 MET 33 1HB MET 33 7.725 -3.170 -6.353 256 HB3 MET 33 2HB MET 33 6.537 -3.326 -5.069 257 HG2 MET 33 1HG MET 33 6.025 -0.947 -5.250 258 HG3 MET 33 2HG MET 33 7.218 -0.790 -6.537 259 HE1 MET 33 3HE MET 33 3.359 -3.298 -6.909 260 HE2 MET 33 1HE MET 33 3.812 -2.404 -5.458 261 HE3 MET 33 2HE MET 33 4.748 -3.815 -5.954 262 H PHE 34 H PHE 34 6.949 -3.255 -2.605 263 HA PHE 34 HA PHE 34 5.888 -0.863 -1.522 264 HB2 PHE 34 1HB PHE 34 5.975 -3.720 -0.667 265 HB3 PHE 34 2HB PHE 34 5.564 -2.506 0.538 266 HD1 PHE 34 HD1 PHE 34 4.587 -3.788 -2.811 267 HD2 PHE 34 HD2 PHE 34 3.416 -1.646 0.674 268 HE1 PHE 34 HE1 PHE 34 2.259 -3.774 -3.604 269 HE2 PHE 34 HE2 PHE 34 1.089 -1.620 -0.117 270 HZ PHE 34 HZ PHE 34 0.508 -2.690 -2.255 271 H ASP 35 H ASP 35 8.715 -2.844 -0.704 272 HA ASP 35 HA ASP 35 9.403 -1.530 1.675 273 HB2 ASP 35 1HB ASP 35 11.073 -2.993 -0.352 274 HB3 ASP 35 2HB ASP 35 11.805 -2.210 1.042 275 H ASP 36 H ASP 36 10.801 -1.004 -1.563 276 HA ASP 36 HA ASP 36 12.478 1.078 -0.724 277 HB2 ASP 36 1HB ASP 36 11.573 0.083 -3.389 278 HB3 ASP 36 2HB ASP 36 12.471 1.596 -3.293 279 H ASP 37 H ASP 37 9.318 1.287 -2.398 280 HA ASP 37 HA ASP 37 9.615 4.194 -2.378 281 HB2 ASP 37 1HB ASP 37 7.607 2.399 -3.738 282 HB3 ASP 37 2HB ASP 37 7.535 4.156 -3.793 283 H ILE 38 H ILE 38 7.813 1.749 -0.697 284 HA ILE 38 HA ILE 38 5.821 3.748 0.120 285 HB ILE 38 HB ILE 38 5.580 0.751 0.358 286 HG12 ILE 38 1HG1 ILE 38 4.736 2.614 -1.868 287 HG13 ILE 38 2HG1 ILE 38 5.842 1.255 -1.978 288 HG21 ILE 38 1HG2 ILE 38 3.184 1.219 0.559 289 HG22 ILE 38 2HG2 ILE 38 3.515 2.949 0.464 290 HG23 ILE 38 3HG2 ILE 38 4.109 2.012 1.834 291 HD11 ILE 38 3HD1 ILE 38 4.001 -0.280 -1.568 292 HD12 ILE 38 1HD1 ILE 38 3.695 0.741 -2.972 293 HD13 ILE 38 2HD1 ILE 38 2.889 1.083 -1.442 294 H LEU 39 H LEU 39 8.088 1.360 1.405 295 HA LEU 39 HA LEU 39 7.060 1.286 4.019 296 HB2 LEU 39 1HB LEU 39 8.829 -0.197 2.722 297 HB3 LEU 39 2HB LEU 39 9.962 0.832 3.570 298 HG LEU 39 HG LEU 39 9.470 -1.353 4.690 299 HD11 LEU 39 1HD1 LEU 39 9.216 -0.407 6.943 300 HD12 LEU 39 2HD1 LEU 39 8.781 1.145 6.227 301 HD13 LEU 39 3HD1 LEU 39 10.392 0.476 5.970 302 HD21 LEU 39 3HD2 LEU 39 6.765 -0.088 5.121 303 HD22 LEU 39 1HD2 LEU 39 7.345 -1.557 5.909 304 HD23 LEU 39 2HD2 LEU 39 7.110 -1.527 4.162 305 HA PRO 40 HA PRO 40 10.408 4.579 5.245 306 HB2 PRO 40 1HB PRO 40 11.217 6.288 3.286 307 HB3 PRO 40 2HB PRO 40 12.095 4.814 3.712 308 HG2 PRO 40 1HG PRO 40 10.163 5.288 1.477 309 HG3 PRO 40 2HG PRO 40 11.716 4.432 1.449 310 HD2 PRO 40 1HD PRO 40 9.370 3.118 1.562 311 HD3 PRO 40 2HD PRO 40 10.822 2.519 2.391 312 H ILE 41 H ILE 41 7.683 4.872 3.271 313 HA ILE 41 HA ILE 41 7.208 7.669 3.991 314 HB ILE 41 HB ILE 41 5.574 5.856 2.204 315 HG12 ILE 41 1HG1 ILE 41 7.812 6.327 1.274 316 HG13 ILE 41 2HG1 ILE 41 6.540 7.095 0.332 317 HG21 ILE 41 1HG2 ILE 41 5.415 8.834 2.651 318 HG22 ILE 41 2HG2 ILE 41 4.245 7.633 3.198 319 HG23 ILE 41 3HG2 ILE 41 4.473 7.918 1.471 320 HD11 ILE 41 3HD1 ILE 41 8.329 8.448 2.339 321 HD12 ILE 41 1HD1 ILE 41 7.034 9.227 1.430 322 HD13 ILE 41 2HD1 ILE 41 8.435 8.573 0.582 323 H ILE 42 H ILE 42 5.219 4.677 3.922 324 HA ILE 42 HA ILE 42 3.852 5.706 6.336 325 HB ILE 42 HB ILE 42 1.828 4.546 5.601 326 HG12 ILE 42 1HG1 ILE 42 3.052 4.100 2.905 327 HG13 ILE 42 2HG1 ILE 42 3.298 2.905 4.175 328 HG21 ILE 42 1HG2 ILE 42 2.110 6.880 5.007 329 HG22 ILE 42 2HG2 ILE 42 1.249 6.019 3.732 330 HG23 ILE 42 3HG2 ILE 42 2.955 6.419 3.528 331 HD11 ILE 42 3HD1 ILE 42 1.428 2.300 2.780 332 HD12 ILE 42 1HD1 ILE 42 0.649 3.847 3.114 333 HD13 ILE 42 2HD1 ILE 42 0.884 2.677 4.416 334 H GLY 43 H GLY 43 6.015 3.445 5.536 335 HA2 GLY 43 1HA GLY 43 4.923 0.969 6.222 336 HA3 GLY 43 2HA GLY 43 6.622 1.392 6.365 337 H GLY 44 H GLY 44 6.278 3.480 8.293 338 HA2 GLY 44 1HA GLY 44 6.008 1.752 10.631 339 HA3 GLY 44 2HA GLY 44 6.772 3.333 10.589 340 H LEU 45 H LEU 45 3.794 3.341 8.987 341 HA LEU 45 HA LEU 45 2.579 4.713 11.277 342 HB2 LEU 45 1HB LEU 45 1.779 4.621 8.369 343 HB3 LEU 45 2HB LEU 45 0.958 5.546 9.612 344 HG LEU 45 HG LEU 45 3.830 5.983 8.794 345 HD11 LEU 45 1HD1 LEU 45 3.002 7.976 7.650 346 HD12 LEU 45 2HD1 LEU 45 1.345 7.504 8.028 347 HD13 LEU 45 3HD1 LEU 45 2.324 6.502 6.957 348 HD21 LEU 45 3HD2 LEU 45 1.953 7.625 10.490 349 HD22 LEU 45 1HD2 LEU 45 3.602 8.065 10.043 350 HD23 LEU 45 2HD2 LEU 45 3.311 6.668 11.082 351 H GLU 46 H GLU 46 0.477 4.183 11.986 352 HA GLU 46 HA GLU 46 -0.209 1.407 11.528 353 HB2 GLU 46 1HB GLU 46 -1.402 3.445 13.406 354 HB3 GLU 46 2HB GLU 46 -1.901 1.758 13.309 355 HG2 GLU 46 1HG GLU 46 0.531 1.177 13.763 356 HG3 GLU 46 2HG GLU 46 0.734 2.871 14.204 357 H ILE 47 H ILE 47 -2.208 0.672 10.844 358 HA ILE 47 HA ILE 47 -2.818 1.830 8.382 359 HB ILE 47 HB ILE 47 -2.960 -0.600 9.064 360 HG12 ILE 47 1HG1 ILE 47 -5.413 0.379 7.613 361 HG13 ILE 47 2HG1 ILE 47 -3.805 0.431 6.899 362 HG21 ILE 47 1HG2 ILE 47 -5.663 0.271 10.076 363 HG22 ILE 47 2HG2 ILE 47 -4.335 -0.378 11.039 364 HG23 ILE 47 3HG2 ILE 47 -5.149 -1.402 9.857 365 HD11 ILE 47 3HD1 ILE 47 -5.284 -2.024 7.807 366 HD12 ILE 47 1HD1 ILE 47 -3.635 -2.007 7.183 367 HD13 ILE 47 2HD1 ILE 47 -4.977 -1.525 6.143 368 H GLN 48 H GLN 48 -4.311 2.341 11.475 369 HA GLN 48 HA GLN 48 -6.700 3.526 10.314 370 HB2 GLN 48 1HB GLN 48 -5.824 3.551 13.203 371 HB3 GLN 48 2HB GLN 48 -7.429 3.898 12.583 372 HG2 GLN 48 1HG GLN 48 -7.612 1.554 11.842 373 HG3 GLN 48 2HG GLN 48 -6.036 1.232 12.567 374 HE21 GLN 48 2HE2 GLN 48 -8.581 0.039 13.254 375 HE22 GLN 48 1HE2 GLN 48 -8.886 0.431 14.915 376 H ASP 49 H ASP 49 -3.557 4.497 11.100 377 HA ASP 49 HA ASP 49 -4.364 7.199 11.913 378 HB2 ASP 49 1HB ASP 49 -2.894 5.949 13.438 379 HB3 ASP 49 2HB ASP 49 -1.699 5.790 12.159 380 H ILE 50 H ILE 50 -2.990 5.480 9.304 381 HA ILE 50 HA ILE 50 -1.211 7.300 8.192 382 HB ILE 50 HB ILE 50 -3.036 5.383 6.736 383 HG12 ILE 50 1HG1 ILE 50 -0.183 5.070 7.693 384 HG13 ILE 50 2HG1 ILE 50 -1.594 4.312 8.424 385 HG21 ILE 50 1HG2 ILE 50 -2.136 7.066 5.224 386 HG22 ILE 50 2HG2 ILE 50 -1.391 5.496 4.921 387 HG23 ILE 50 3HG2 ILE 50 -0.504 6.736 5.807 388 HD11 ILE 50 3HD1 ILE 50 -1.978 3.053 6.370 389 HD12 ILE 50 1HD1 ILE 50 -0.373 2.748 7.032 390 HD13 ILE 50 2HD1 ILE 50 -0.563 3.816 5.642 391 H GLU 51 H GLU 51 -1.386 9.162 7.157 392 HA GLU 51 HA GLU 51 -4.004 10.366 6.801 393 HB2 GLU 51 1HB GLU 51 -1.214 11.434 6.344 394 HB3 GLU 51 2HB GLU 51 -2.684 12.378 6.162 395 HG2 GLU 51 1HG GLU 51 -3.182 12.096 8.516 396 HG3 GLU 51 2HG GLU 51 -1.743 11.092 8.712 397 HA PRO 52 HA PRO 52 -4.409 9.688 2.426 398 HB2 PRO 52 1HB PRO 52 -5.350 12.177 1.674 399 HB3 PRO 52 2HB PRO 52 -6.353 10.877 2.323 400 HG2 PRO 52 1HG PRO 52 -5.207 13.259 3.710 401 HG3 PRO 52 2HG PRO 52 -6.795 12.497 3.911 402 HD2 PRO 52 1HD PRO 52 -4.806 12.113 5.680 403 HD3 PRO 52 2HD PRO 52 -5.959 10.823 5.276 404 H MET 53 H MET 53 -2.796 12.584 3.615 405 HA MET 53 HA MET 53 -1.478 13.336 1.247 406 HB2 MET 53 1HB MET 53 -0.745 13.728 4.147 407 HB3 MET 53 2HB MET 53 0.175 14.428 2.823 408 HG2 MET 53 1HG MET 53 -1.747 15.703 2.116 409 HG3 MET 53 2HG MET 53 -2.737 14.946 3.362 410 HE1 MET 53 3HE MET 53 1.028 16.118 3.798 411 HE2 MET 53 1HE MET 53 0.780 17.800 4.266 412 HE3 MET 53 2HE MET 53 0.333 17.259 2.646 413 H GLN 54 H GLN 54 -0.598 11.098 3.820 414 HA GLN 54 HA GLN 54 2.053 10.649 2.859 415 HB2 GLN 54 1HB GLN 54 0.322 9.244 4.883 416 HB3 GLN 54 2HB GLN 54 1.963 8.728 4.510 417 HG2 GLN 54 1HG GLN 54 2.910 10.608 5.421 418 HG3 GLN 54 2HG GLN 54 1.435 11.561 5.258 419 HE21 GLN 54 2HE2 GLN 54 3.128 11.155 7.591 420 HE22 GLN 54 1HE2 GLN 54 2.100 10.506 8.816 421 H LEU 55 H LEU 55 -1.022 8.931 2.584 422 HA LEU 55 HA LEU 55 0.059 6.679 1.251 423 HB2 LEU 55 1HB LEU 55 -2.192 6.837 2.388 424 HB3 LEU 55 2HB LEU 55 -2.753 7.739 0.993 425 HG LEU 55 HG LEU 55 -2.360 5.815 -0.452 426 HD11 LEU 55 1HD1 LEU 55 -1.687 3.660 0.473 427 HD12 LEU 55 2HD1 LEU 55 -1.471 4.398 2.060 428 HD13 LEU 55 3HD1 LEU 55 -0.430 4.873 0.719 429 HD21 LEU 55 3HD2 LEU 55 -3.913 5.093 2.032 430 HD22 LEU 55 1HD2 LEU 55 -4.067 4.318 0.456 431 HD23 LEU 55 2HD2 LEU 55 -4.526 6.010 0.654 432 H LEU 56 H LEU 56 -1.160 9.793 0.167 433 HA LEU 56 HA LEU 56 -0.927 9.186 -2.623 434 HB2 LEU 56 1HB LEU 56 -2.430 10.942 -1.578 435 HB3 LEU 56 2HB LEU 56 -0.995 11.913 -1.325 436 HG LEU 56 HG LEU 56 -2.509 12.378 -3.382 437 HD11 LEU 56 1HD1 LEU 56 -0.536 13.028 -4.718 438 HD12 LEU 56 2HD1 LEU 56 0.483 12.133 -3.592 439 HD13 LEU 56 3HD1 LEU 56 -0.437 13.530 -3.030 440 HD21 LEU 56 3HD2 LEU 56 -1.895 11.147 -5.387 441 HD22 LEU 56 1HD2 LEU 56 -2.609 10.070 -4.185 442 HD23 LEU 56 2HD2 LEU 56 -0.862 10.083 -4.432 443 H GLU 57 H GLU 57 1.110 10.597 -0.153 444 HA GLU 57 HA GLU 57 3.261 11.483 -1.693 445 HB2 GLU 57 1HB GLU 57 2.995 11.885 0.717 446 HB3 GLU 57 2HB GLU 57 3.255 10.179 1.032 447 HG2 GLU 57 1HG GLU 57 5.534 10.337 0.298 448 HG3 GLU 57 2HG GLU 57 5.291 12.013 -0.199 449 H VAL 58 H VAL 58 2.480 8.291 -0.419 450 HA VAL 58 HA VAL 58 4.641 6.822 -1.356 451 HB VAL 58 HB VAL 58 1.732 6.062 -1.065 452 HG11 VAL 58 1HG1 VAL 58 2.513 3.711 -1.121 453 HG12 VAL 58 2HG1 VAL 58 4.101 4.291 -1.625 454 HG13 VAL 58 3HG1 VAL 58 2.702 4.545 -2.665 455 HG21 VAL 58 3HG2 VAL 58 2.481 4.972 0.979 456 HG22 VAL 58 1HG2 VAL 58 2.904 6.686 1.001 457 HG23 VAL 58 2HG2 VAL 58 4.141 5.473 0.654 458 H ILE 59 H ILE 59 1.521 7.398 -2.977 459 HA ILE 59 HA ILE 59 2.187 6.153 -5.400 460 HB ILE 59 HB ILE 59 0.098 8.121 -4.597 461 HG12 ILE 59 1HG1 ILE 59 -1.392 6.355 -5.532 462 HG13 ILE 59 2HG1 ILE 59 0.038 5.399 -5.902 463 HG21 ILE 59 1HG2 ILE 59 -0.799 8.252 -6.860 464 HG22 ILE 59 2HG2 ILE 59 0.598 7.366 -7.468 465 HG23 ILE 59 3HG2 ILE 59 0.809 8.973 -6.770 466 HD11 ILE 59 3HD1 ILE 59 -0.866 6.243 -3.160 467 HD12 ILE 59 1HD1 ILE 59 0.574 5.292 -3.521 468 HD13 ILE 59 2HD1 ILE 59 -1.026 4.634 -3.867 469 H ARG 60 H ARG 60 2.636 9.524 -4.353 470 HA ARG 60 HA ARG 60 3.655 10.448 -6.832 471 HB2 ARG 60 1HB ARG 60 3.852 11.476 -4.025 472 HB3 ARG 60 2HB ARG 60 4.787 12.218 -5.316 473 HG2 ARG 60 1HG ARG 60 2.695 12.595 -6.558 474 HG3 ARG 60 2HG ARG 60 1.797 11.973 -5.168 475 HD2 ARG 60 1HD ARG 60 3.485 14.454 -5.351 476 HD3 ARG 60 2HD ARG 60 1.775 14.324 -4.940 477 HE ARG 60 HE ARG 60 3.610 12.998 -3.126 478 HH11 ARG 60 1HH1 ARG 60 1.821 15.934 -3.827 479 HH12 ARG 60 2HH1 ARG 60 1.871 16.494 -2.187 480 HH21 ARG 60 1HH2 ARG 60 3.699 13.745 -0.989 481 HH22 ARG 60 2HH2 ARG 60 2.944 15.247 -0.566 482 H ARG 61 H ARG 61 5.127 8.792 -4.126 483 HA ARG 61 HA ARG 61 7.818 9.255 -4.765 484 HB2 ARG 61 1HB ARG 61 6.958 8.148 -2.670 485 HB3 ARG 61 2HB ARG 61 6.679 6.695 -3.622 486 HG2 ARG 61 1HG ARG 61 8.784 6.608 -2.363 487 HG3 ARG 61 2HG ARG 61 9.044 6.514 -4.109 488 HD2 ARG 61 1HD ARG 61 9.509 8.949 -4.116 489 HD3 ARG 61 2HD ARG 61 9.372 8.947 -2.360 490 HE ARG 61 HE ARG 61 11.334 7.512 -2.294 491 HH11 ARG 61 1HH1 ARG 61 10.643 9.040 -5.361 492 HH12 ARG 61 2HH1 ARG 61 12.302 9.051 -5.884 493 HH21 ARG 61 1HH2 ARG 61 13.526 7.555 -2.953 494 HH22 ARG 61 2HH2 ARG 61 13.933 8.198 -4.514 495 H PHE 62 H PHE 62 5.485 6.888 -5.941 496 HA PHE 62 HA PHE 62 7.245 5.593 -7.756 497 HB2 PHE 62 1HB PHE 62 4.240 5.861 -7.710 498 HB3 PHE 62 2HB PHE 62 5.096 4.930 -8.934 499 HD1 PHE 62 HD1 PHE 62 4.129 5.101 -5.417 500 HD2 PHE 62 HD2 PHE 62 6.166 2.848 -8.392 501 HE1 PHE 62 HE1 PHE 62 4.156 3.154 -3.915 502 HE2 PHE 62 HE2 PHE 62 6.198 0.895 -6.898 503 HZ PHE 62 HZ PHE 62 5.192 1.048 -4.656 504 H GLU 63 H GLU 63 5.102 8.397 -8.055 505 HA GLU 63 HA GLU 63 5.425 8.812 -10.819 506 HB2 GLU 63 1HB GLU 63 4.871 10.819 -8.633 507 HB3 GLU 63 2HB GLU 63 4.752 11.160 -10.352 508 HG2 GLU 63 1HG GLU 63 3.099 9.170 -10.377 509 HG3 GLU 63 2HG GLU 63 3.005 9.458 -8.638 510 H ASP 64 H ASP 64 7.192 10.134 -8.042 511 HA ASP 64 HA ASP 64 9.066 11.719 -9.256 512 HB2 ASP 64 1HB ASP 64 9.153 9.943 -6.872 513 HB3 ASP 64 2HB ASP 64 10.688 10.560 -7.475 514 H ARG 65 H ARG 65 9.129 8.183 -9.058 515 HA ARG 65 HA ARG 65 11.623 8.038 -10.497 516 HB2 ARG 65 1HB ARG 65 9.683 5.903 -9.625 517 HB3 ARG 65 2HB ARG 65 11.185 5.569 -10.476 518 HG2 ARG 65 1HG ARG 65 12.325 6.844 -8.572 519 HG3 ARG 65 2HG ARG 65 10.795 6.653 -7.713 520 HD2 ARG 65 1HD ARG 65 12.371 4.375 -8.900 521 HD3 ARG 65 2HD ARG 65 12.486 4.886 -7.218 522 HE ARG 65 HE ARG 65 10.298 4.090 -6.836 523 HH11 ARG 65 1HH1 ARG 65 11.356 3.530 -10.142 524 HH12 ARG 65 2HH1 ARG 65 10.233 2.235 -10.412 525 HH21 ARG 65 1HH2 ARG 65 8.883 2.350 -7.161 526 HH22 ARG 65 2HH2 ARG 65 8.822 1.561 -8.711 527 H GLY 66 H GLY 66 8.227 7.866 -11.254 528 HA2 GLY 66 1HA GLY 66 7.550 8.483 -13.491 529 HA3 GLY 66 2HA GLY 66 8.972 7.651 -14.100 530 H ALA 67 H ALA 67 7.145 6.122 -11.598 531 HA ALA 67 HA ALA 67 6.282 4.093 -13.529 532 HB1 ALA 67 3HB ALA 67 5.902 2.668 -11.569 533 HB2 ALA 67 1HB ALA 67 6.358 4.003 -10.512 534 HB3 ALA 67 2HB ALA 67 7.549 3.297 -11.602 535 H MET 68 H MET 68 4.379 4.724 -14.422 536 HA MET 68 HA MET 68 2.388 6.099 -12.847 537 HB2 MET 68 1HB MET 68 2.390 5.138 -15.707 538 HB3 MET 68 2HB MET 68 1.039 5.982 -14.970 539 HG2 MET 68 1HG MET 68 3.804 7.142 -15.122 540 HG3 MET 68 2HG MET 68 2.597 7.362 -16.384 541 HE1 MET 68 3HE MET 68 2.460 7.409 -12.395 542 HE2 MET 68 1HE MET 68 2.414 9.152 -12.129 543 HE3 MET 68 2HE MET 68 3.840 8.409 -12.853 544 H GLU 69 H GLU 69 2.399 3.042 -14.684 545 HA GLU 69 HA GLU 69 -0.114 2.183 -13.797 546 HB2 GLU 69 1HB GLU 69 1.110 1.225 -15.729 547 HB3 GLU 69 2HB GLU 69 2.232 0.460 -14.610 548 HG2 GLU 69 1HG GLU 69 0.210 -0.683 -13.595 549 HG3 GLU 69 2HG GLU 69 -0.681 -0.123 -15.010 550 H ARG 70 H ARG 70 3.133 1.596 -12.483 551 HA ARG 70 HA ARG 70 2.141 -0.139 -10.449 552 HB2 ARG 70 1HB ARG 70 4.825 1.114 -10.910 553 HB3 ARG 70 2HB ARG 70 4.476 0.197 -9.447 554 HG2 ARG 70 1HG ARG 70 3.704 -1.663 -11.019 555 HG3 ARG 70 2HG ARG 70 4.526 -0.756 -12.285 556 HD2 ARG 70 1HD ARG 70 5.857 -1.628 -9.733 557 HD3 ARG 70 2HD ARG 70 5.866 -2.588 -11.208 558 HE ARG 70 HE ARG 70 6.866 0.133 -11.421 559 HH11 ARG 70 1HH1 ARG 70 7.548 -3.273 -11.093 560 HH12 ARG 70 2HH1 ARG 70 9.198 -3.138 -11.626 561 HH21 ARG 70 1HH2 ARG 70 9.065 0.351 -12.067 562 HH22 ARG 70 2HH2 ARG 70 10.075 -1.069 -12.133 563 H ALA 71 H ALA 71 2.312 3.272 -10.728 564 HA ALA 71 HA ALA 71 2.209 3.849 -7.935 565 HB1 ALA 71 3HB ALA 71 1.311 6.038 -8.631 566 HB2 ALA 71 1HB ALA 71 1.181 5.444 -10.287 567 HB3 ALA 71 2HB ALA 71 2.767 5.600 -9.528 568 H ASN 72 H ASN 72 -0.173 3.203 -10.454 569 HA ASN 72 HA ASN 72 -2.436 3.462 -8.725 570 HB2 ASN 72 1HB ASN 72 -2.583 3.697 -11.199 571 HB3 ASN 72 2HB ASN 72 -2.230 1.980 -11.359 572 HD21 ASN 72 2HD2 ASN 72 -4.188 1.626 -12.413 573 HD22 ASN 72 1HD2 ASN 72 -5.692 1.600 -11.553 574 H LYS 73 H LYS 73 -0.411 0.775 -9.826 575 HA LYS 73 HA LYS 73 -1.802 -1.328 -8.616 576 HB2 LYS 73 1HB LYS 73 1.096 -0.925 -9.264 577 HB3 LYS 73 2HB LYS 73 0.586 -2.337 -8.361 578 HG2 LYS 73 1HG LYS 73 -0.903 -2.972 -10.204 579 HG3 LYS 73 2HG LYS 73 -0.350 -1.565 -11.119 580 HD2 LYS 73 1HD LYS 73 1.753 -2.451 -11.466 581 HD3 LYS 73 2HD LYS 73 1.662 -3.497 -10.050 582 HE2 LYS 73 1HE LYS 73 1.556 -4.845 -12.040 583 HE3 LYS 73 2HE LYS 73 -0.007 -4.885 -11.229 584 HZ1 LYS 73 3HZ LYS 73 0.665 -3.197 -13.585 585 HZ2 LYS 73 1HZ LYS 73 -0.851 -3.294 -12.824 586 HZ3 LYS 73 2HZ LYS 73 -0.221 -4.644 -13.627 587 H ALA 74 H ALA 74 0.624 0.888 -7.268 588 HA ALA 74 HA ALA 74 0.870 -0.252 -4.737 589 HB1 ALA 74 3HB ALA 74 2.254 1.635 -5.610 590 HB2 ALA 74 1HB ALA 74 1.664 1.873 -3.963 591 HB3 ALA 74 2HB ALA 74 0.888 2.715 -5.308 592 H ARG 75 H ARG 75 -1.313 2.362 -5.765 593 HA ARG 75 HA ARG 75 -2.836 2.599 -3.462 594 HB2 ARG 75 1HB ARG 75 -3.037 4.145 -5.323 595 HB3 ARG 75 2HB ARG 75 -3.679 2.874 -6.354 596 HG2 ARG 75 1HG ARG 75 -5.627 2.706 -4.798 597 HG3 ARG 75 2HG ARG 75 -5.006 4.133 -3.965 598 HD2 ARG 75 1HD ARG 75 -5.125 5.387 -6.083 599 HD3 ARG 75 2HD ARG 75 -5.807 3.965 -6.868 600 HE ARG 75 HE ARG 75 -7.239 4.948 -4.546 601 HH11 ARG 75 1HH1 ARG 75 -6.958 4.918 -8.027 602 HH12 ARG 75 2HH1 ARG 75 -8.596 5.420 -8.294 603 HH21 ARG 75 1HH2 ARG 75 -9.402 5.632 -4.898 604 HH22 ARG 75 2HH2 ARG 75 -9.979 5.852 -6.523 605 H ARG 76 H ARG 76 -3.365 0.459 -6.240 606 HA ARG 76 HA ARG 76 -5.798 -0.649 -5.403 607 HB2 ARG 76 1HB ARG 76 -4.707 -0.748 -7.694 608 HB3 ARG 76 2HB ARG 76 -3.712 -2.053 -7.067 609 HG2 ARG 76 1HG ARG 76 -5.741 -3.358 -6.608 610 HG3 ARG 76 2HG ARG 76 -6.714 -2.054 -7.294 611 HD2 ARG 76 1HD ARG 76 -5.301 -2.310 -9.390 612 HD3 ARG 76 2HD ARG 76 -4.711 -3.812 -8.681 613 HE ARG 76 HE ARG 76 -7.539 -3.783 -8.675 614 HH11 ARG 76 1HH1 ARG 76 -4.789 -4.194 -10.797 615 HH12 ARG 76 2HH1 ARG 76 -5.700 -5.036 -12.021 616 HH21 ARG 76 1HH2 ARG 76 -8.729 -4.909 -10.254 617 HH22 ARG 76 2HH2 ARG 76 -7.934 -5.455 -11.699 618 H ARG 77 H ARG 77 -2.474 -1.851 -4.997 619 HA ARG 77 HA ARG 77 -3.250 -4.221 -3.632 620 HB2 ARG 77 1HB ARG 77 -0.607 -2.775 -3.770 621 HB3 ARG 77 2HB ARG 77 -0.827 -4.333 -2.990 622 HG2 ARG 77 1HG ARG 77 -1.600 -3.937 -5.850 623 HG3 ARG 77 2HG ARG 77 0.076 -4.238 -5.399 624 HD2 ARG 77 1HD ARG 77 -0.843 -6.341 -5.939 625 HD3 ARG 77 2HD ARG 77 -0.741 -6.288 -4.183 626 HE ARG 77 HE ARG 77 -3.096 -6.130 -4.075 627 HH11 ARG 77 1HH1 ARG 77 -1.900 -6.481 -7.353 628 HH12 ARG 77 2HH1 ARG 77 -3.423 -7.041 -7.981 629 HH21 ARG 77 1HH2 ARG 77 -5.079 -6.929 -4.897 630 HH22 ARG 77 2HH2 ARG 77 -5.217 -7.273 -6.601 631 H CYS 78 H CYS 78 -2.227 -1.001 -2.531 632 HA CYS 78 HA CYS 78 -2.178 -1.610 0.227 633 HB2 CYS 78 1HB CYS 78 -2.742 1.013 -1.171 634 HB3 CYS 78 2HB CYS 78 -2.474 0.847 0.561 635 HG CYS 78 HG CYS 78 -0.234 0.459 -1.970 636 H GLY 79 H GLY 79 -4.750 -0.479 -1.929 637 HA2 GLY 79 1HA GLY 79 -6.817 -0.222 -0.076 638 HA3 GLY 79 2HA GLY 79 -7.027 -0.674 -1.763 639 H GLU 80 H GLU 80 -5.494 -3.099 -1.617 640 HA GLU 80 HA GLU 80 -7.465 -4.893 -0.620 641 HB2 GLU 80 1HB GLU 80 -5.916 -5.364 -2.546 642 HB3 GLU 80 2HB GLU 80 -4.614 -5.547 -1.376 643 HG2 GLU 80 1HG GLU 80 -5.946 -7.353 -0.291 644 HG3 GLU 80 2HG GLU 80 -7.092 -7.232 -1.625 645 H VAL 81 H VAL 81 -4.313 -3.783 0.544 646 HA VAL 81 HA VAL 81 -4.135 -5.406 2.827 647 HB VAL 81 HB VAL 81 -3.132 -2.566 2.499 648 HG11 VAL 81 1HG1 VAL 81 -3.172 -3.241 4.834 649 HG12 VAL 81 2HG1 VAL 81 -1.511 -3.167 4.247 650 HG13 VAL 81 3HG1 VAL 81 -2.310 -4.728 4.439 651 HG21 VAL 81 3HG2 VAL 81 -2.277 -4.037 0.756 652 HG22 VAL 81 1HG2 VAL 81 -1.753 -5.198 1.975 653 HG23 VAL 81 2HG2 VAL 81 -0.998 -3.605 1.891 654 H PHE 82 H PHE 82 -5.562 -2.180 2.373 655 HA PHE 82 HA PHE 82 -6.603 -1.857 4.958 656 HB2 PHE 82 1HB PHE 82 -7.566 -0.827 2.286 657 HB3 PHE 82 2HB PHE 82 -8.327 -0.379 3.807 658 HD1 PHE 82 HD2 PHE 82 -6.640 0.547 5.626 659 HD2 PHE 82 HD1 PHE 82 -5.947 0.550 1.430 660 HE1 PHE 82 HE2 PHE 82 -5.017 2.373 5.900 661 HE2 PHE 82 HE1 PHE 82 -4.324 2.379 1.696 662 HZ PHE 82 HZ PHE 82 -3.856 3.293 3.934 663 H ARG 83 H ARG 83 -8.011 -3.314 2.057 664 HA ARG 83 HA ARG 83 -10.516 -3.995 3.101 665 HB2 ARG 83 1HB ARG 83 -10.004 -4.069 0.716 666 HB3 ARG 83 2HB ARG 83 -8.859 -5.375 0.978 667 HG2 ARG 83 1HG ARG 83 -10.674 -6.847 1.660 668 HG3 ARG 83 2HG ARG 83 -11.831 -5.531 1.437 669 HD2 ARG 83 1HD ARG 83 -11.253 -5.410 -0.927 670 HD3 ARG 83 2HD ARG 83 -10.068 -6.695 -0.714 671 HE ARG 83 HE ARG 83 -12.038 -8.132 -0.085 672 HH11 ARG 83 1HH1 ARG 83 -12.424 -5.319 -2.146 673 HH12 ARG 83 2HH1 ARG 83 -13.785 -5.970 -3.003 674 HH21 ARG 83 1HH2 ARG 83 -13.825 -8.994 -1.213 675 HH22 ARG 83 2HH2 ARG 83 -14.570 -8.074 -2.489 676 H TYR 84 H TYR 84 -7.492 -5.842 2.996 677 HA TYR 84 HA TYR 84 -8.379 -8.197 4.211 678 HB2 TYR 84 1HB TYR 84 -6.121 -7.679 3.092 679 HB3 TYR 84 2HB TYR 84 -5.643 -6.995 4.638 680 HD1 TYR 84 HD2 TYR 84 -5.240 -8.452 6.577 681 HD2 TYR 84 HD1 TYR 84 -6.391 -10.061 2.804 682 HE1 TYR 84 HE2 TYR 84 -4.533 -10.690 7.313 683 HE2 TYR 84 HE1 TYR 84 -5.688 -12.298 3.537 684 HH TYR 84 HH TYR 84 -4.900 -13.011 6.803 685 H ALA 85 H ALA 85 -7.230 -5.160 5.569 686 HA ALA 85 HA ALA 85 -7.269 -5.993 8.279 687 HB1 ALA 85 3HB ALA 85 -7.089 -3.622 8.812 688 HB2 ALA 85 1HB ALA 85 -7.451 -3.212 7.137 689 HB3 ALA 85 2HB ALA 85 -5.963 -4.075 7.532 690 H ILE 86 H ILE 86 -9.677 -4.531 6.153 691 HA ILE 86 HA ILE 86 -11.643 -4.084 8.144 692 HB ILE 86 HB ILE 86 -12.015 -4.636 5.190 693 HG12 ILE 86 1HG1 ILE 86 -11.939 -2.019 6.712 694 HG13 ILE 86 2HG1 ILE 86 -10.632 -2.646 5.714 695 HG21 ILE 86 1HG2 ILE 86 -14.215 -3.588 5.464 696 HG22 ILE 86 2HG2 ILE 86 -13.939 -3.466 7.202 697 HG23 ILE 86 3HG2 ILE 86 -14.068 -5.051 6.439 698 HD11 ILE 86 3HD1 ILE 86 -11.886 -0.945 4.536 699 HD12 ILE 86 1HD1 ILE 86 -13.375 -1.866 4.756 700 HD13 ILE 86 2HD1 ILE 86 -12.079 -2.512 3.749 701 H VAL 87 H VAL 87 -10.980 -6.806 5.983 702 HA VAL 87 HA VAL 87 -13.074 -8.491 6.803 703 HB VAL 87 HB VAL 87 -10.328 -9.260 5.790 704 HG11 VAL 87 1HG1 VAL 87 -11.343 -11.381 5.148 705 HG12 VAL 87 2HG1 VAL 87 -12.874 -10.877 5.863 706 HG13 VAL 87 3HG1 VAL 87 -11.462 -11.131 6.890 707 HG21 VAL 87 3HG2 VAL 87 -11.407 -9.431 3.606 708 HG22 VAL 87 1HG2 VAL 87 -11.533 -7.796 4.259 709 HG23 VAL 87 2HG2 VAL 87 -12.926 -8.877 4.312 710 H THR 88 H THR 88 -9.705 -8.284 7.925 711 HA THR 88 HA THR 88 -10.000 -10.272 9.928 712 HB THR 88 HB THR 88 -7.853 -9.242 10.850 713 HG1 THR 88 HG1 THR 88 -7.708 -7.857 8.397 714 HG21 THR 88 3HG2 THR 88 -6.492 -10.103 9.005 715 HG22 THR 88 1HG2 THR 88 -7.907 -10.093 7.953 716 HG23 THR 88 2HG2 THR 88 -7.852 -11.171 9.347 717 H GLY 89 H GLY 89 -10.832 -6.938 9.780 718 HA2 GLY 89 1HA GLY 89 -12.306 -5.893 11.273 719 HA3 GLY 89 2HA GLY 89 -11.969 -7.146 12.456 720 H ARG 90 H ARG 90 -9.379 -5.464 10.858 721 HA ARG 90 HA ARG 90 -8.635 -4.277 13.435 722 HB2 ARG 90 1HB ARG 90 -7.015 -4.604 10.902 723 HB3 ARG 90 2HB ARG 90 -6.412 -3.969 12.426 724 HG2 ARG 90 1HG ARG 90 -6.806 -6.115 13.499 725 HG3 ARG 90 2HG ARG 90 -7.464 -6.757 11.991 726 HD2 ARG 90 1HD ARG 90 -5.283 -6.288 10.906 727 HD3 ARG 90 2HD ARG 90 -4.647 -5.802 12.478 728 HE ARG 90 HE ARG 90 -5.267 -8.163 13.183 729 HH11 ARG 90 1HH1 ARG 90 -4.351 -7.327 9.905 730 HH12 ARG 90 2HH1 ARG 90 -3.745 -8.918 9.535 731 HH21 ARG 90 1HH2 ARG 90 -4.464 -10.258 12.678 732 HH22 ARG 90 2HH2 ARG 90 -3.783 -10.551 11.099 733 H ALA 91 H ALA 91 -9.588 -3.460 10.197 734 HA ALA 91 HA ALA 91 -9.357 -0.609 10.899 735 HB1 ALA 91 3HB ALA 91 -7.800 -1.196 9.106 736 HB2 ALA 91 1HB ALA 91 -9.060 -0.102 8.533 737 HB3 ALA 91 2HB ALA 91 -9.141 -1.820 8.143 738 H LYS 92 H LYS 92 -11.273 0.236 11.269 739 HA LYS 92 HA LYS 92 -13.682 -1.013 10.272 740 HB2 LYS 92 1HB LYS 92 -13.304 0.043 12.600 741 HB3 LYS 92 2HB LYS 92 -13.534 1.585 11.788 742 HG2 LYS 92 1HG LYS 92 -15.758 0.852 11.056 743 HG3 LYS 92 2HG LYS 92 -15.525 -0.670 11.920 744 HD2 LYS 92 1HD LYS 92 -15.175 0.682 14.005 745 HD3 LYS 92 2HD LYS 92 -15.670 2.103 13.087 746 HE2 LYS 92 1HE LYS 92 -17.320 -0.367 13.599 747 HE3 LYS 92 2HE LYS 92 -17.537 1.208 14.356 748 HZ1 LYS 92 3HZ LYS 92 -17.900 0.568 11.476 749 HZ2 LYS 92 1HZ LYS 92 -18.015 2.126 12.142 750 HZ3 LYS 92 2HZ LYS 92 -19.118 0.924 12.599 751 H TYR 93 H TYR 93 -11.594 1.556 9.432 752 HA TYR 93 HA TYR 93 -13.229 2.196 7.120 753 HB2 TYR 93 1HB TYR 93 -13.952 3.871 8.743 754 HB3 TYR 93 2HB TYR 93 -12.280 4.291 9.097 755 HD1 TYR 93 HD2 TYR 93 -14.780 4.265 6.337 756 HD2 TYR 93 HD1 TYR 93 -11.226 6.003 7.903 757 HE1 TYR 93 HE2 TYR 93 -14.851 5.982 4.580 758 HE2 TYR 93 HE1 TYR 93 -11.287 7.726 6.148 759 HH TYR 93 HH TYR 93 -12.214 8.110 3.961 760 H ASN 94 H ASN 94 -12.006 2.779 5.359 761 HA ASN 94 HA ASN 94 -9.103 2.954 5.797 762 HB2 ASN 94 1HB ASN 94 -8.791 1.881 3.598 763 HB3 ASN 94 2HB ASN 94 -9.651 0.835 4.720 764 HD21 ASN 94 2HD2 ASN 94 -9.572 0.727 1.835 765 HD22 ASN 94 1HD2 ASN 94 -11.206 0.874 1.294 766 HA PRO 95 HA PRO 95 -9.591 6.913 3.862 767 HB2 PRO 95 1HB PRO 95 -6.982 7.580 3.699 768 HB3 PRO 95 2HB PRO 95 -7.854 7.552 5.235 769 HG2 PRO 95 1HG PRO 95 -5.987 5.529 4.076 770 HG3 PRO 95 2HG PRO 95 -6.127 6.098 5.749 771 HD2 PRO 95 1HD PRO 95 -7.194 3.745 4.840 772 HD3 PRO 95 2HD PRO 95 -7.833 4.652 6.223 773 H ALA 96 H ALA 96 -9.558 4.507 2.139 774 HA ALA 96 HA ALA 96 -7.783 4.906 -0.035 775 HB1 ALA 96 3HB ALA 96 -10.397 3.404 0.013 776 HB2 ALA 96 1HB ALA 96 -8.813 2.739 0.416 777 HB3 ALA 96 2HB ALA 96 -9.148 3.282 -1.229 778 HA PRO 97 HA PRO 97 -11.549 7.208 -2.134 779 HB2 PRO 97 1HB PRO 97 -13.261 8.387 -0.343 780 HB3 PRO 97 2HB PRO 97 -13.581 6.850 -1.153 781 HG2 PRO 97 1HG PRO 97 -12.521 7.359 1.598 782 HG3 PRO 97 2HG PRO 97 -13.717 6.165 1.060 783 HD2 PRO 97 1HD PRO 97 -11.169 5.484 1.555 784 HD3 PRO 97 2HD PRO 97 -12.099 4.726 0.246 785 H ASP 98 H ASP 98 -10.347 8.168 1.035 786 HA ASP 98 HA ASP 98 -10.196 10.954 0.518 787 HB2 ASP 98 1HB ASP 98 -8.535 9.337 2.462 788 HB3 ASP 98 2HB ASP 98 -8.847 11.069 2.529 789 H LEU 99 H LEU 99 -7.920 8.284 0.245 790 HA LEU 99 HA LEU 99 -5.681 9.644 -0.703 791 HB2 LEU 99 1HB LEU 99 -5.700 7.269 -0.064 792 HB3 LEU 99 2HB LEU 99 -6.719 6.896 -1.436 793 HG LEU 99 HG LEU 99 -4.206 6.338 -1.561 794 HD11 LEU 99 1HD1 LEU 99 -4.125 6.808 -3.951 795 HD12 LEU 99 2HD1 LEU 99 -5.499 7.900 -3.787 796 HD13 LEU 99 3HD1 LEU 99 -5.702 6.177 -3.473 797 HD21 LEU 99 3HD2 LEU 99 -4.107 9.282 -2.167 798 HD22 LEU 99 1HD2 LEU 99 -2.789 8.131 -2.389 799 HD23 LEU 99 2HD2 LEU 99 -3.387 8.486 -0.767 800 H ALA 100 H ALA 100 -8.500 8.370 -2.411 801 HA ALA 100 HA ALA 100 -7.724 9.014 -5.018 802 HB1 ALA 100 3HB ALA 100 -10.084 8.882 -5.591 803 HB2 ALA 100 1HB ALA 100 -10.519 8.977 -3.885 804 HB3 ALA 100 2HB ALA 100 -9.638 7.576 -4.493 805 H ASP 101 H ASP 101 -9.490 10.920 -2.604 806 HA ASP 101 HA ASP 101 -9.947 13.165 -4.240 807 HB2 ASP 101 1HB ASP 101 -10.077 12.599 -1.336 808 HB3 ASP 101 2HB ASP 101 -9.943 14.292 -1.806 809 H ALA 102 H ALA 102 -7.210 12.256 -2.243 810 HA ALA 102 HA ALA 102 -5.852 14.747 -2.445 811 HB1 ALA 102 3HB ALA 102 -5.299 13.083 -0.730 812 HB2 ALA 102 1HB ALA 102 -3.883 13.529 -1.684 813 HB3 ALA 102 2HB ALA 102 -4.703 11.995 -1.983 814 H MET 103 H MET 103 -6.086 11.917 -4.456 815 HA MET 103 HA MET 103 -3.995 12.687 -6.263 816 HB2 MET 103 1HB MET 103 -4.732 10.327 -5.877 817 HB3 MET 103 2HB MET 103 -6.242 10.710 -6.690 818 HG2 MET 103 1HG MET 103 -4.980 11.242 -8.735 819 HG3 MET 103 2HG MET 103 -3.491 10.794 -7.905 820 HE1 MET 103 3HE MET 103 -4.326 8.287 -6.195 821 HE2 MET 103 1HE MET 103 -2.859 8.365 -7.171 822 HE3 MET 103 2HE MET 103 -3.940 6.978 -7.311 823 H LYS 104 H LYS 104 -7.362 13.373 -5.899 824 HA LYS 104 HA LYS 104 -7.785 14.331 -8.575 825 HB2 LYS 104 1HB LYS 104 -9.381 14.866 -6.061 826 HB3 LYS 104 2HB LYS 104 -9.906 15.205 -7.701 827 HG2 LYS 104 1HG LYS 104 -10.140 12.927 -8.215 828 HG3 LYS 104 2HG LYS 104 -9.213 12.431 -6.795 829 HD2 LYS 104 1HD LYS 104 -11.028 13.459 -5.386 830 HD3 LYS 104 2HD LYS 104 -11.970 13.647 -6.865 831 HE2 LYS 104 1HE LYS 104 -12.033 11.285 -7.211 832 HE3 LYS 104 2HE LYS 104 -10.875 11.007 -5.911 833 HZ1 LYS 104 3HZ LYS 104 -12.502 11.800 -4.316 834 HZ2 LYS 104 1HZ LYS 104 -13.152 10.521 -5.226 835 HZ3 LYS 104 2HZ LYS 104 -13.609 12.122 -5.561 836 H GLY 105 H GLY 105 -7.320 15.825 -5.411 837 HA2 GLY 105 1HA GLY 105 -6.418 18.274 -6.790 838 HA3 GLY 105 2HA GLY 105 -7.492 18.350 -5.399 839 H TYR 106 H TYR 106 -4.318 17.282 -6.469 840 HA TYR 106 HA TYR 106 -3.160 16.461 -4.124 841 HB2 TYR 106 1HB TYR 106 -1.781 18.102 -6.258 842 HB3 TYR 106 2HB TYR 106 -1.005 17.036 -5.095 843 HD1 TYR 106 HD2 TYR 106 -2.971 17.197 -8.186 844 HD2 TYR 106 HD1 TYR 106 -1.031 14.642 -5.397 845 HE1 TYR 106 HE2 TYR 106 -3.095 15.348 -9.803 846 HE2 TYR 106 HE1 TYR 106 -1.144 12.787 -7.006 847 HH TYR 106 HH TYR 106 -2.469 12.119 -8.949 848 H ARG 107 H ARG 107 -2.489 19.689 -5.457 849 HA ARG 107 HA ARG 107 -1.989 20.607 -2.710 850 HB2 ARG 107 1HB ARG 107 -0.977 21.691 -5.348 851 HB3 ARG 107 2HB ARG 107 -0.591 22.355 -3.765 852 HG2 ARG 107 1HG ARG 107 0.583 20.363 -3.143 853 HG3 ARG 107 2HG ARG 107 0.060 19.543 -4.616 854 HD2 ARG 107 1HD ARG 107 1.832 21.980 -4.496 855 HD3 ARG 107 2HD ARG 107 2.380 20.327 -4.770 856 HE ARG 107 HE ARG 107 0.394 21.369 -6.635 857 HH11 ARG 107 1HH1 ARG 107 3.760 20.694 -5.970 858 HH12 ARG 107 2HH1 ARG 107 4.245 20.772 -7.637 859 HH21 ARG 107 1HH2 ARG 107 1.017 21.470 -8.828 860 HH22 ARG 107 2HH2 ARG 107 2.674 21.208 -9.264 861 H LYS 108 H LYS 108 -4.568 20.489 -4.303 862 HA LYS 108 HA LYS 108 -5.249 23.280 -4.669 863 HB2 LYS 108 1HB LYS 108 -6.914 20.766 -4.882 864 HB3 LYS 108 2HB LYS 108 -7.520 22.382 -5.209 865 HG2 LYS 108 1HG LYS 108 -5.857 22.611 -7.011 866 HG3 LYS 108 2HG LYS 108 -5.336 20.952 -6.706 867 HD2 LYS 108 1HD LYS 108 -7.549 20.126 -7.255 868 HD3 LYS 108 2HD LYS 108 -8.136 21.776 -7.475 869 HE2 LYS 108 1HE LYS 108 -5.978 20.440 -9.105 870 HE3 LYS 108 2HE LYS 108 -7.650 20.674 -9.614 871 HZ1 LYS 108 3HZ LYS 108 -7.315 23.067 -9.480 872 HZ2 LYS 108 1HZ LYS 108 -6.192 22.364 -10.535 873 HZ3 LYS 108 2HZ LYS 108 -5.713 22.839 -8.982 874 H LYS 109 H LYS 109 -5.262 21.006 -2.150 875 HA LYS 109 HA LYS 109 -7.109 22.693 -0.602 876 HB2 LYS 109 1HB LYS 109 -6.680 19.723 -0.234 877 HB3 LYS 109 2HB LYS 109 -7.822 20.733 0.639 878 HG2 LYS 109 1HG LYS 109 -8.920 21.187 -1.599 879 HG3 LYS 109 2HG LYS 109 -7.917 19.885 -2.241 880 HD2 LYS 109 1HD LYS 109 -9.895 19.649 0.026 881 HD3 LYS 109 2HD LYS 109 -10.138 19.075 -1.622 882 HE2 LYS 109 1HE LYS 109 -7.901 18.125 0.155 883 HE3 LYS 109 2HE LYS 109 -9.468 17.326 0.059 884 HZ1 LYS 109 3HZ LYS 109 -7.865 16.261 -1.378 885 HZ2 LYS 109 1HZ LYS 109 -7.581 17.715 -2.204 886 HZ3 LYS 109 2HZ LYS 109 -9.099 16.968 -2.306 887 H ASN 110 H ASN 110 -6.295 23.561 1.181 888 HA ASN 110 HA ASN 110 -3.658 22.713 2.108 889 HB2 ASN 110 1HB ASN 110 -5.406 25.085 2.781 890 HB3 ASN 110 2HB ASN 110 -3.935 24.711 3.673 891 HD21 ASN 110 2HD2 ASN 110 -5.261 25.824 0.654 892 HD22 ASN 110 1HD2 ASN 110 -3.769 26.398 -0.011 893 H LEU 111 H LEU 111 -3.825 20.916 3.296 894 HA LEU 111 HA LEU 111 -6.210 20.360 4.800 895 HB2 LEU 111 1HB LEU 111 -3.672 18.750 4.558 896 HB3 LEU 111 2HB LEU 111 -5.202 18.181 5.204 897 HG LEU 111 HG LEU 111 -4.687 19.026 2.355 898 HD11 LEU 111 1HD1 LEU 111 -5.209 16.317 3.561 899 HD12 LEU 111 2HD1 LEU 111 -3.681 16.884 2.887 900 HD13 LEU 111 3HD1 LEU 111 -5.084 16.668 1.838 901 HD21 LEU 111 3HD2 LEU 111 -6.957 19.582 3.051 902 HD22 LEU 111 1HD2 LEU 111 -7.191 17.932 3.628 903 HD23 LEU 111 2HD2 LEU 111 -6.956 18.240 1.908 904 H GLU 112 H GLU 112 -5.327 22.493 5.940 905 HA GLU 112 HA GLU 112 -5.105 23.414 7.977 906 HB2 GLU 112 1HB GLU 112 -5.171 20.595 9.044 907 HB3 GLU 112 2HB GLU 112 -5.475 22.069 9.955 908 HG2 GLU 112 1HG GLU 112 -7.154 20.920 7.739 909 HG3 GLU 112 2HG GLU 112 -7.567 21.030 9.449 910 H HIS 113 H HIS 113 -3.346 20.540 9.046 911 HA HIS 113 HA HIS 113 -1.121 22.362 9.658 912 HB2 HIS 113 1HB HIS 113 -2.179 21.240 11.577 913 HB3 HIS 113 2HB HIS 113 -1.815 19.673 10.866 914 HD1 HIS 113 HD1 HIS 113 -0.246 22.524 12.709 915 HD2 HIS 113 HD2 HIS 113 0.853 18.846 11.100 916 HE1 HIS 113 HE1 HIS 113 2.037 22.023 13.642 917 HE2 HIS 113 HE2 HIS 113 2.640 19.747 12.736 918 H HIS 114 H HIS 114 0.879 22.043 8.919 919 HA HIS 114 HA HIS 114 1.234 20.138 6.771 920 HB2 HIS 114 1HB HIS 114 3.160 22.161 7.940 921 HB3 HIS 114 2HB HIS 114 3.430 21.226 6.475 922 HD1 HIS 114 HD1 HIS 114 1.559 24.169 7.805 923 HD2 HIS 114 HD2 HIS 114 2.034 22.129 4.215 924 HE1 HIS 114 HE1 HIS 114 0.592 25.674 6.040 925 HE2 HIS 114 HE2 HIS 114 1.122 24.522 3.859 926 H HIS 115 H HIS 115 1.413 18.078 7.611 927 HA HIS 115 HA HIS 115 3.287 17.519 9.732 928 HB2 HIS 115 1HB HIS 115 1.589 15.775 7.955 929 HB3 HIS 115 2HB HIS 115 2.822 15.083 9.005 930 HD1 HIS 115 HD1 HIS 115 -0.545 15.127 9.110 931 HD2 HIS 115 HD2 HIS 115 2.272 16.722 11.727 932 HE1 HIS 115 HE1 HIS 115 -1.737 15.418 11.305 933 HE2 HIS 115 HE2 HIS 115 -0.056 16.500 12.836 934 H HIS 116 H HIS 116 5.375 17.079 9.537 935 HA HIS 116 HA HIS 116 6.450 16.977 6.792 936 HB2 HIS 116 1HB HIS 116 7.741 18.040 9.316 937 HB3 HIS 116 2HB HIS 116 8.504 17.985 7.734 938 HD1 HIS 116 HD1 HIS 116 6.607 20.159 9.898 939 HD2 HIS 116 HD2 HIS 116 7.075 19.708 5.789 940 HE1 HIS 116 HE1 HIS 116 5.834 22.324 8.884 941 HE2 HIS 116 HE2 HIS 116 6.374 22.114 6.435 942 H HIS 117 H HIS 117 8.079 15.522 6.299 943 HA HIS 117 HA HIS 117 8.720 13.460 8.271 944 HB2 HIS 117 1HB HIS 117 9.493 13.769 5.356 945 HB3 HIS 117 2HB HIS 117 10.034 12.446 6.379 946 HD1 HIS 117 HD1 HIS 117 8.424 10.511 6.745 947 HD2 HIS 117 HD2 HIS 117 6.742 13.692 4.662 948 HE1 HIS 117 HE1 HIS 117 6.237 9.660 5.851 949 HE2 HIS 117 HE2 HIS 117 5.432 11.492 4.317 950 H HIS 118 H HIS 118 9.590 16.443 7.787 951 HA HIS 118 HA HIS 118 12.395 16.064 8.543 952 HB2 HIS 118 1HB HIS 118 12.405 16.811 6.237 953 HB3 HIS 118 2HB HIS 118 11.237 18.073 6.590 954 HD1 HIS 118 HD1 HIS 118 14.857 17.347 6.568 955 HD2 HIS 118 HD2 HIS 118 12.323 20.322 7.993 956 HE1 HIS 118 HE1 HIS 118 16.334 19.325 7.054 957 HE2 HIS 118 HE2 HIS 118 14.751 21.165 7.734 Start of MODEL 9 1 H1 SER 1 1H SER 1 0.571 -11.630 13.490 2 H2 SER 1 2H SER 1 -0.289 -11.096 14.846 3 H3 SER 1 3H SER 1 1.403 -11.034 14.844 4 HA SER 1 HA SER 1 1.307 -9.447 12.987 5 HB2 SER 1 1HB SER 1 -1.649 -9.421 13.660 6 HB3 SER 1 2HB SER 1 -0.839 -8.407 12.465 7 HG SER 1 HG SER 1 -0.287 -10.347 11.335 8 H SER 2 H SER 2 1.817 -7.402 13.630 9 HA SER 2 HA SER 2 2.076 -6.824 16.344 10 HB2 SER 2 1HB SER 2 2.035 -4.848 14.053 11 HB3 SER 2 2HB SER 2 2.779 -4.607 15.636 12 HG SER 2 HG SER 2 3.917 -6.729 14.939 13 H ASN 3 H ASN 3 0.903 -5.721 17.800 14 HA ASN 3 HA ASN 3 -1.921 -5.627 17.332 15 HB2 ASN 3 1HB ASN 3 -0.369 -4.765 19.779 16 HB3 ASN 3 2HB ASN 3 -2.094 -5.113 19.701 17 HD21 ASN 3 2HD2 ASN 3 -2.781 -7.247 19.589 18 HD22 ASN 3 1HD2 ASN 3 -1.725 -8.573 19.926 19 H ASN 4 H ASN 4 0.629 -3.368 17.135 20 HA ASN 4 HA ASN 4 -0.875 -1.007 17.686 21 HB2 ASN 4 1HB ASN 4 1.770 -1.547 16.383 22 HB3 ASN 4 2HB ASN 4 1.058 0.060 16.293 23 HD21 ASN 4 2HD2 ASN 4 -0.178 0.048 18.840 24 HD22 ASN 4 1HD2 ASN 4 1.071 0.120 20.038 25 H ASN 5 H ASN 5 -1.119 -3.189 15.214 26 HA ASN 5 HA ASN 5 -2.221 -3.219 13.230 27 HB2 ASN 5 1HB ASN 5 -3.233 -0.517 14.150 28 HB3 ASN 5 2HB ASN 5 -3.862 -1.407 12.769 29 HD21 ASN 5 2HD2 ASN 5 -5.171 -0.538 15.238 30 HD22 ASN 5 1HD2 ASN 5 -5.826 -1.967 15.951 31 H SER 6 H SER 6 0.456 -2.089 13.514 32 HA SER 6 HA SER 6 0.940 0.092 11.862 33 HB2 SER 6 1HB SER 6 2.765 -2.298 11.999 34 HB3 SER 6 2HB SER 6 3.191 -0.586 11.924 35 HG SER 6 HG SER 6 3.373 -0.803 14.012 36 H PHE 7 H PHE 7 1.233 0.338 9.677 37 HA PHE 7 HA PHE 7 -0.202 -1.243 7.919 38 HB2 PHE 7 1HB PHE 7 0.600 1.095 7.480 39 HB3 PHE 7 2HB PHE 7 2.201 0.432 7.162 40 HD1 PHE 7 HD2 PHE 7 -1.243 0.702 5.946 41 HD2 PHE 7 HD1 PHE 7 2.667 -0.776 5.125 42 HE1 PHE 7 HE2 PHE 7 -1.886 0.308 3.602 43 HE2 PHE 7 HE1 PHE 7 2.025 -1.177 2.785 44 HZ PHE 7 HZ PHE 7 -0.250 -0.635 2.019 45 H SER 8 H SER 8 3.314 -1.283 8.507 46 HA SER 8 HA SER 8 4.001 -3.235 6.650 47 HB2 SER 8 1HB SER 8 5.275 -2.663 9.333 48 HB3 SER 8 2HB SER 8 6.014 -3.607 8.039 49 HG SER 8 HG SER 8 5.426 -0.847 8.122 50 H ALA 9 H ALA 9 2.581 -3.608 9.832 51 HA ALA 9 HA ALA 9 3.269 -6.347 10.182 52 HB1 ALA 9 3HB ALA 9 1.664 -6.311 12.014 53 HB2 ALA 9 1HB ALA 9 1.053 -4.751 11.462 54 HB3 ALA 9 2HB ALA 9 2.707 -4.889 12.063 55 H ILE 10 H ILE 10 0.284 -4.713 9.197 56 HA ILE 10 HA ILE 10 -1.103 -7.164 8.688 57 HB ILE 10 HB ILE 10 -1.810 -4.346 7.855 58 HG12 ILE 10 1HG1 ILE 10 -2.723 -5.961 10.248 59 HG13 ILE 10 2HG1 ILE 10 -1.495 -4.702 10.306 60 HG21 ILE 10 1HG2 ILE 10 -4.104 -5.211 7.677 61 HG22 ILE 10 2HG2 ILE 10 -3.511 -6.834 8.032 62 HG23 ILE 10 3HG2 ILE 10 -3.013 -6.019 6.550 63 HD11 ILE 10 3HD1 ILE 10 -3.168 -3.071 9.570 64 HD12 ILE 10 1HD1 ILE 10 -3.602 -3.855 11.088 65 HD13 ILE 10 2HD1 ILE 10 -4.389 -4.343 9.588 66 H TYR 11 H TYR 11 0.601 -4.765 6.747 67 HA TYR 11 HA TYR 11 0.151 -5.837 4.203 68 HB2 TYR 11 1HB TYR 11 1.234 -3.799 4.126 69 HB3 TYR 11 2HB TYR 11 2.318 -4.202 5.452 70 HD1 TYR 11 HD2 TYR 11 1.598 -5.253 1.933 71 HD2 TYR 11 HD1 TYR 11 4.516 -4.637 4.966 72 HE1 TYR 11 HE2 TYR 11 3.376 -5.815 0.332 73 HE2 TYR 11 HE1 TYR 11 6.299 -5.199 3.376 74 HH TYR 11 HH TYR 11 6.626 -6.343 1.328 75 H LYS 12 H LYS 12 2.580 -6.660 6.656 76 HA LYS 12 HA LYS 12 4.024 -8.584 5.270 77 HB2 LYS 12 1HB LYS 12 4.746 -7.821 7.441 78 HB3 LYS 12 2HB LYS 12 3.281 -8.426 8.197 79 HG2 LYS 12 1HG LYS 12 5.056 -9.908 8.738 80 HG3 LYS 12 2HG LYS 12 4.000 -10.729 7.589 81 HD2 LYS 12 1HD LYS 12 5.551 -10.166 5.774 82 HD3 LYS 12 2HD LYS 12 6.610 -9.362 6.936 83 HE2 LYS 12 1HE LYS 12 5.886 -12.288 6.859 84 HE3 LYS 12 2HE LYS 12 7.456 -11.576 6.489 85 HZ1 LYS 12 3HZ LYS 12 6.105 -11.652 9.136 86 HZ2 LYS 12 1HZ LYS 12 7.523 -10.773 8.821 87 HZ3 LYS 12 2HZ LYS 12 7.521 -12.462 8.687 88 H GLU 13 H GLU 13 1.066 -8.951 7.182 89 HA GLU 13 HA GLU 13 0.860 -11.757 6.872 90 HB2 GLU 13 1HB GLU 13 -0.280 -10.151 8.568 91 HB3 GLU 13 2HB GLU 13 -1.500 -9.954 7.317 92 HG2 GLU 13 1HG GLU 13 -2.118 -11.642 8.975 93 HG3 GLU 13 2HG GLU 13 -1.972 -12.319 7.353 94 H TRP 14 H TRP 14 -0.580 -9.025 5.165 95 HA TRP 14 HA TRP 14 -2.159 -10.482 3.349 96 HB2 TRP 14 1HB TRP 14 -2.576 -8.153 3.659 97 HB3 TRP 14 2HB TRP 14 -0.920 -7.729 3.255 98 HD1 TRP 14 HD1 TRP 14 -4.171 -8.943 1.545 99 HE1 TRP 14 HE1 TRP 14 -4.091 -8.193 -0.925 100 HE3 TRP 14 HE3 TRP 14 0.565 -7.041 1.443 101 HZ2 TRP 14 HZ2 TRP 14 -2.242 -6.960 -2.670 102 HZ3 TRP 14 HZ3 TRP 14 1.415 -6.090 -0.651 103 HH2 TRP 14 HH2 TRP 14 0.041 -6.052 -2.670 104 H TYR 15 H TYR 15 1.147 -9.169 3.038 105 HA TYR 15 HA TYR 15 1.649 -10.101 0.437 106 HB2 TYR 15 1HB TYR 15 3.148 -8.490 1.358 107 HB3 TYR 15 2HB TYR 15 3.530 -9.533 2.727 108 HD1 TYR 15 HD1 TYR 15 3.578 -9.744 -1.007 109 HD2 TYR 15 HD2 TYR 15 5.589 -10.582 2.651 110 HE1 TYR 15 HE1 TYR 15 5.443 -10.724 -2.265 111 HE2 TYR 15 HE2 TYR 15 7.466 -11.560 1.398 112 HH TYR 15 HH TYR 15 7.836 -11.163 -1.952 113 H GLU 16 H GLU 16 2.291 -11.604 3.590 114 HA GLU 16 HA GLU 16 3.694 -13.825 2.607 115 HB2 GLU 16 1HB GLU 16 3.602 -13.017 4.985 116 HB3 GLU 16 2HB GLU 16 2.004 -13.735 5.107 117 HG2 GLU 16 1HG GLU 16 2.866 -15.923 4.814 118 HG3 GLU 16 2HG GLU 16 4.456 -15.300 4.369 119 H HIS 17 H HIS 17 0.266 -13.189 2.864 120 HA HIS 17 HA HIS 17 -0.503 -15.897 2.255 121 HB2 HIS 17 1HB HIS 17 -2.035 -14.479 3.522 122 HB3 HIS 17 2HB HIS 17 -2.105 -13.326 2.193 123 HD1 HIS 17 HD1 HIS 17 -3.273 -16.771 3.169 124 HD2 HIS 17 HD2 HIS 17 -3.864 -13.965 0.161 125 HE1 HIS 17 HE1 HIS 17 -5.189 -17.646 1.794 126 HE2 HIS 17 HE2 HIS 17 -5.375 -16.044 -0.144 127 H LYS 18 H LYS 18 -0.298 -12.835 0.476 128 HA LYS 18 HA LYS 18 -1.217 -13.869 -1.997 129 HB2 LYS 18 1HB LYS 18 0.314 -11.417 -1.202 130 HB3 LYS 18 2HB LYS 18 0.047 -11.795 -2.897 131 HG2 LYS 18 1HG LYS 18 -2.112 -11.413 -0.833 132 HG3 LYS 18 2HG LYS 18 -1.604 -10.220 -2.033 133 HD2 LYS 18 1HD LYS 18 -2.147 -12.012 -3.778 134 HD3 LYS 18 2HD LYS 18 -2.985 -12.855 -2.475 135 HE2 LYS 18 1HE LYS 18 -3.559 -10.054 -3.433 136 HE3 LYS 18 2HE LYS 18 -4.523 -11.487 -3.788 137 HZ1 LYS 18 3HZ LYS 18 -4.008 -10.612 -1.015 138 HZ2 LYS 18 1HZ LYS 18 -5.218 -11.652 -1.582 139 HZ3 LYS 18 2HZ LYS 18 -5.298 -9.986 -1.917 140 H LYS 19 H LYS 19 1.844 -13.888 -0.421 141 HA LYS 19 HA LYS 19 3.579 -14.312 -2.569 142 HB2 LYS 19 1HB LYS 19 4.298 -13.808 -0.273 143 HB3 LYS 19 2HB LYS 19 3.737 -15.389 0.254 144 HG2 LYS 19 1HG LYS 19 5.394 -16.444 -1.222 145 HG3 LYS 19 2HG LYS 19 5.976 -14.841 -1.679 146 HD2 LYS 19 1HD LYS 19 6.581 -14.379 0.628 147 HD3 LYS 19 2HD LYS 19 5.946 -15.950 1.127 148 HE2 LYS 19 1HE LYS 19 8.244 -15.485 -0.769 149 HE3 LYS 19 2HE LYS 19 8.378 -15.988 0.915 150 HZ1 LYS 19 3HZ LYS 19 7.072 -17.536 -1.266 151 HZ2 LYS 19 1HZ LYS 19 7.156 -18.012 0.359 152 HZ3 LYS 19 2HZ LYS 19 8.576 -17.876 -0.558 153 H GLN 20 H GLN 20 1.275 -16.415 -1.067 154 HA GLN 20 HA GLN 20 2.368 -18.879 -2.014 155 HB2 GLN 20 1HB GLN 20 -0.433 -18.179 -1.110 156 HB3 GLN 20 2HB GLN 20 0.145 -19.810 -1.418 157 HG2 GLN 20 1HG GLN 20 1.732 -19.630 0.393 158 HG3 GLN 20 2HG GLN 20 1.268 -17.950 0.665 159 HE21 GLN 20 2HE2 GLN 20 1.163 -20.275 2.456 160 HE22 GLN 20 1HE2 GLN 20 -0.484 -20.401 2.969 161 H VAL 21 H VAL 21 0.463 -16.366 -3.391 162 HA VAL 21 HA VAL 21 -0.526 -18.107 -5.531 163 HB VAL 21 HB VAL 21 -1.251 -15.227 -4.968 164 HG11 VAL 21 1HG1 VAL 21 -2.558 -17.279 -6.753 165 HG12 VAL 21 2HG1 VAL 21 -1.608 -15.894 -7.292 166 HG13 VAL 21 3HG1 VAL 21 -3.141 -15.642 -6.458 167 HG21 VAL 21 3HG2 VAL 21 -3.348 -16.132 -4.051 168 HG22 VAL 21 1HG2 VAL 21 -1.940 -16.638 -3.117 169 HG23 VAL 21 2HG2 VAL 21 -2.707 -17.766 -4.236 170 H TRP 22 H TRP 22 1.364 -15.179 -4.990 171 HA TRP 22 HA TRP 22 1.802 -14.696 -7.784 172 HB2 TRP 22 1HB TRP 22 3.213 -13.568 -5.361 173 HB3 TRP 22 2HB TRP 22 3.422 -12.992 -7.008 174 HD1 TRP 22 HD1 TRP 22 0.113 -13.187 -7.552 175 HE1 TRP 22 HE1 TRP 22 -1.295 -11.225 -6.645 176 HE3 TRP 22 HE3 TRP 22 3.423 -11.341 -4.124 177 HZ2 TRP 22 HZ2 TRP 22 -1.019 -9.164 -4.728 178 HZ3 TRP 22 HZ3 TRP 22 2.779 -9.372 -2.799 179 HH2 TRP 22 HH2 TRP 22 0.602 -8.307 -3.096 180 H SER 23 H SER 23 3.797 -14.828 -8.896 181 HA SER 23 HA SER 23 5.461 -17.049 -8.303 182 HB2 SER 23 1HB SER 23 6.076 -14.729 -10.153 183 HB3 SER 23 2HB SER 23 6.728 -16.368 -10.239 184 HG SER 23 HG SER 23 4.605 -17.110 -10.695 185 H VAL 24 H VAL 24 7.653 -17.017 -7.573 186 HA VAL 24 HA VAL 24 7.986 -15.461 -5.284 187 HB VAL 24 HB VAL 24 10.132 -16.950 -6.791 188 HG11 VAL 24 1HG1 VAL 24 11.036 -15.406 -5.116 189 HG12 VAL 24 2HG1 VAL 24 11.260 -17.084 -4.623 190 HG13 VAL 24 3HG1 VAL 24 9.981 -16.114 -3.892 191 HG21 VAL 24 3HG2 VAL 24 8.257 -17.841 -4.611 192 HG22 VAL 24 1HG2 VAL 24 9.576 -18.801 -5.280 193 HG23 VAL 24 2HG2 VAL 24 8.207 -18.346 -6.299 194 H GLY 25 H GLY 25 9.579 -15.131 -8.454 195 HA2 GLY 25 1HA GLY 25 11.226 -12.960 -7.810 196 HA3 GLY 25 2HA GLY 25 10.608 -13.314 -9.417 197 H TYR 26 H TYR 26 7.981 -12.935 -9.241 198 HA TYR 26 HA TYR 26 7.641 -10.151 -9.250 199 HB2 TYR 26 1HB TYR 26 6.229 -11.595 -10.585 200 HB3 TYR 26 2HB TYR 26 5.611 -12.389 -9.144 201 HD1 TYR 26 HD2 TYR 26 5.763 -9.034 -10.771 202 HD2 TYR 26 HD1 TYR 26 3.617 -11.668 -8.212 203 HE1 TYR 26 HE2 TYR 26 3.894 -7.434 -10.698 204 HE2 TYR 26 HE1 TYR 26 1.741 -10.083 -8.136 205 HH TYR 26 HH TYR 26 1.434 -7.508 -10.280 206 H ALA 27 H ALA 27 6.827 -12.604 -6.804 207 HA ALA 27 HA ALA 27 5.340 -10.897 -5.122 208 HB1 ALA 27 3HB ALA 27 5.672 -12.601 -3.402 209 HB2 ALA 27 1HB ALA 27 6.913 -13.365 -4.394 210 HB3 ALA 27 2HB ALA 27 5.240 -13.328 -4.949 211 H THR 28 H THR 28 8.764 -11.844 -5.033 212 HA THR 28 HA THR 28 9.384 -10.368 -2.702 213 HB THR 28 HB THR 28 11.297 -11.166 -4.900 214 HG1 THR 28 HG1 THR 28 10.452 -13.079 -4.355 215 HG21 THR 28 3HG2 THR 28 12.244 -9.655 -3.221 216 HG22 THR 28 1HG2 THR 28 12.933 -11.271 -3.073 217 HG23 THR 28 2HG2 THR 28 11.698 -10.732 -1.935 218 H GLU 29 H GLU 29 9.449 -9.580 -6.138 219 HA GLU 29 HA GLU 29 10.793 -7.095 -5.861 220 HB2 GLU 29 1HB GLU 29 10.647 -8.315 -7.996 221 HB3 GLU 29 2HB GLU 29 8.914 -8.026 -8.037 222 HG2 GLU 29 1HG GLU 29 9.288 -5.638 -8.198 223 HG3 GLU 29 2HG GLU 29 11.029 -5.888 -8.084 224 H LEU 30 H LEU 30 7.365 -7.975 -6.144 225 HA LEU 30 HA LEU 30 6.305 -5.390 -5.950 226 HB2 LEU 30 1HB LEU 30 5.035 -7.422 -6.618 227 HB3 LEU 30 2HB LEU 30 5.098 -7.982 -4.962 228 HG LEU 30 HG LEU 30 3.832 -5.333 -5.562 229 HD11 LEU 30 1HD1 LEU 30 1.686 -6.462 -5.895 230 HD12 LEU 30 2HD1 LEU 30 2.504 -8.024 -5.870 231 HD13 LEU 30 3HD1 LEU 30 2.838 -6.873 -7.165 232 HD21 LEU 30 3HD2 LEU 30 3.252 -7.487 -3.526 233 HD22 LEU 30 1HD2 LEU 30 2.465 -5.912 -3.631 234 HD23 LEU 30 2HD2 LEU 30 4.179 -6.016 -3.226 235 H ALA 31 H ALA 31 7.203 -7.744 -3.485 236 HA ALA 31 HA ALA 31 6.240 -6.262 -1.286 237 HB1 ALA 31 3HB ALA 31 6.661 -8.629 -1.095 238 HB2 ALA 31 1HB ALA 31 7.647 -7.751 0.075 239 HB3 ALA 31 2HB ALA 31 8.383 -8.377 -1.401 240 H LYS 32 H LYS 32 9.336 -6.212 -3.010 241 HA LYS 32 HA LYS 32 10.468 -4.583 -0.912 242 HB2 LYS 32 1HB LYS 32 11.692 -6.346 -2.469 243 HB3 LYS 32 2HB LYS 32 11.949 -4.910 -3.462 244 HG2 LYS 32 1HG LYS 32 12.808 -3.775 -1.386 245 HG3 LYS 32 2HG LYS 32 12.783 -5.356 -0.611 246 HD2 LYS 32 1HD LYS 32 14.316 -6.195 -2.346 247 HD3 LYS 32 2HD LYS 32 14.379 -4.572 -3.044 248 HE2 LYS 32 1HE LYS 32 15.367 -5.494 -0.359 249 HE3 LYS 32 2HE LYS 32 16.288 -4.746 -1.663 250 HZ1 LYS 32 3HZ LYS 32 14.929 -2.703 -1.292 251 HZ2 LYS 32 1HZ LYS 32 15.927 -3.119 0.019 252 HZ3 LYS 32 2HZ LYS 32 14.265 -3.440 0.081 253 H MET 33 H MET 33 8.750 -3.995 -3.833 254 HA MET 33 HA MET 33 9.710 -1.294 -4.064 255 HB2 MET 33 1HB MET 33 8.036 -0.921 -5.698 256 HB3 MET 33 2HB MET 33 8.599 -2.563 -5.958 257 HG2 MET 33 1HG MET 33 6.625 -3.411 -4.783 258 HG3 MET 33 2HG MET 33 6.065 -1.754 -4.559 259 HE1 MET 33 3HE MET 33 3.537 -3.007 -7.226 260 HE2 MET 33 1HE MET 33 3.749 -2.182 -5.681 261 HE3 MET 33 2HE MET 33 4.178 -3.885 -5.836 262 H PHE 34 H PHE 34 7.137 -2.978 -2.377 263 HA PHE 34 HA PHE 34 5.998 -0.709 -1.115 264 HB2 PHE 34 1HB PHE 34 6.107 -3.641 -0.518 265 HB3 PHE 34 2HB PHE 34 5.588 -2.542 0.753 266 HD1 PHE 34 HD1 PHE 34 4.914 -3.132 -2.874 267 HD2 PHE 34 HD2 PHE 34 3.356 -2.203 0.973 268 HE1 PHE 34 HE1 PHE 34 2.636 -3.119 -3.805 269 HE2 PHE 34 HE2 PHE 34 1.075 -2.190 0.051 270 HZ PHE 34 HZ PHE 34 0.719 -2.649 -2.338 271 H ASP 35 H ASP 35 8.672 -2.860 -0.339 272 HA ASP 35 HA ASP 35 9.412 -1.830 2.134 273 HB2 ASP 35 1HB ASP 35 10.344 -3.897 1.295 274 HB3 ASP 35 2HB ASP 35 11.092 -3.062 -0.058 275 H ASP 36 H ASP 36 11.156 -1.152 -0.903 276 HA ASP 36 HA ASP 36 12.713 0.877 0.267 277 HB2 ASP 36 1HB ASP 36 12.279 -0.061 -2.531 278 HB3 ASP 36 2HB ASP 36 13.124 1.461 -2.267 279 H ASP 37 H ASP 37 9.628 1.079 -1.396 280 HA ASP 37 HA ASP 37 9.979 3.985 -1.603 281 HB2 ASP 37 1HB ASP 37 8.031 2.131 -2.972 282 HB3 ASP 37 2HB ASP 37 7.967 3.883 -3.108 283 H ILE 38 H ILE 38 7.716 1.567 -0.323 284 HA ILE 38 HA ILE 38 5.900 3.682 0.499 285 HB ILE 38 HB ILE 38 5.594 0.691 0.775 286 HG12 ILE 38 1HG1 ILE 38 4.664 2.637 -1.338 287 HG13 ILE 38 2HG1 ILE 38 5.754 1.276 -1.551 288 HG21 ILE 38 1HG2 ILE 38 4.202 1.902 2.357 289 HG22 ILE 38 2HG2 ILE 38 3.208 1.191 1.085 290 HG23 ILE 38 3HG2 ILE 38 3.575 2.916 1.058 291 HD11 ILE 38 3HD1 ILE 38 3.915 -0.260 -1.073 292 HD12 ILE 38 1HD1 ILE 38 3.567 0.784 -2.451 293 HD13 ILE 38 2HD1 ILE 38 2.827 1.115 -0.886 294 H LEU 39 H LEU 39 8.118 1.369 2.012 295 HA LEU 39 HA LEU 39 6.977 1.561 4.593 296 HB2 LEU 39 1HB LEU 39 9.747 0.748 3.752 297 HB3 LEU 39 2HB LEU 39 9.150 0.630 5.398 298 HG LEU 39 HG LEU 39 8.216 -0.898 2.977 299 HD11 LEU 39 1HD1 LEU 39 9.299 -1.770 5.649 300 HD12 LEU 39 2HD1 LEU 39 10.177 -1.775 4.120 301 HD13 LEU 39 3HD1 LEU 39 8.787 -2.837 4.342 302 HD21 LEU 39 3HD2 LEU 39 6.245 -0.155 4.223 303 HD22 LEU 39 1HD2 LEU 39 6.929 -0.823 5.706 304 HD23 LEU 39 2HD2 LEU 39 6.488 -1.896 4.377 305 HA PRO 40 HA PRO 40 10.353 5.002 5.462 306 HB2 PRO 40 1HB PRO 40 10.525 6.164 2.739 307 HB3 PRO 40 2HB PRO 40 11.793 5.935 3.947 308 HG2 PRO 40 1HG PRO 40 11.678 4.385 1.787 309 HG3 PRO 40 2HG PRO 40 12.127 3.713 3.367 310 HD2 PRO 40 1HD PRO 40 9.512 3.560 1.914 311 HD3 PRO 40 2HD PRO 40 10.363 2.301 2.834 312 H ILE 41 H ILE 41 7.580 4.979 3.439 313 HA ILE 41 HA ILE 41 6.957 7.782 3.968 314 HB ILE 41 HB ILE 41 5.456 5.767 2.288 315 HG12 ILE 41 1HG1 ILE 41 7.640 6.287 1.329 316 HG13 ILE 41 2HG1 ILE 41 6.362 7.019 0.366 317 HG21 ILE 41 1HG2 ILE 41 4.224 7.687 1.419 318 HG22 ILE 41 2HG2 ILE 41 5.093 8.751 2.528 319 HG23 ILE 41 3HG2 ILE 41 4.001 7.519 3.162 320 HD11 ILE 41 3HD1 ILE 41 6.819 9.177 1.417 321 HD12 ILE 41 1HD1 ILE 41 8.242 8.523 0.608 322 HD13 ILE 41 2HD1 ILE 41 8.110 8.437 2.364 323 H ILE 42 H ILE 42 5.109 4.710 4.139 324 HA ILE 42 HA ILE 42 3.799 5.782 6.562 325 HB ILE 42 HB ILE 42 1.674 4.810 5.874 326 HG12 ILE 42 1HG1 ILE 42 2.809 4.303 3.138 327 HG13 ILE 42 2HG1 ILE 42 2.890 3.066 4.389 328 HG21 ILE 42 1HG2 ILE 42 1.111 6.358 4.069 329 HG22 ILE 42 2HG2 ILE 42 2.827 6.628 3.766 330 HG23 ILE 42 3HG2 ILE 42 2.110 7.132 5.299 331 HD11 ILE 42 3HD1 ILE 42 0.976 2.722 2.961 332 HD12 ILE 42 1HD1 ILE 42 0.388 4.347 3.321 333 HD13 ILE 42 2HD1 ILE 42 0.462 3.130 4.598 334 H GLY 43 H GLY 43 5.879 3.563 5.720 335 HA2 GLY 43 1HA GLY 43 4.733 1.047 6.156 336 HA3 GLY 43 2HA GLY 43 6.430 1.437 6.385 337 H GLY 44 H GLY 44 6.061 3.376 8.448 338 HA2 GLY 44 1HA GLY 44 5.594 1.464 10.627 339 HA3 GLY 44 2HA GLY 44 6.536 2.943 10.738 340 H LEU 45 H LEU 45 3.540 3.278 9.107 341 HA LEU 45 HA LEU 45 2.482 4.705 11.433 342 HB2 LEU 45 1HB LEU 45 1.700 4.717 8.523 343 HB3 LEU 45 2HB LEU 45 0.802 5.568 9.766 344 HG LEU 45 HG LEU 45 3.706 6.087 9.124 345 HD11 LEU 45 1HD1 LEU 45 2.924 8.127 8.034 346 HD12 LEU 45 2HD1 LEU 45 1.252 7.635 8.304 347 HD13 LEU 45 3HD1 LEU 45 2.288 6.690 7.232 348 HD21 LEU 45 3HD2 LEU 45 3.347 8.121 10.455 349 HD22 LEU 45 1HD2 LEU 45 3.097 6.656 11.404 350 HD23 LEU 45 2HD2 LEU 45 1.710 7.578 10.824 351 H GLU 46 H GLU 46 0.401 4.358 12.224 352 HA GLU 46 HA GLU 46 -0.501 1.644 12.159 353 HB2 GLU 46 1HB GLU 46 -1.722 4.138 13.366 354 HB3 GLU 46 2HB GLU 46 -2.324 2.506 13.630 355 HG2 GLU 46 1HG GLU 46 -0.395 1.873 14.813 356 HG3 GLU 46 2HG GLU 46 0.494 3.297 14.278 357 H ILE 47 H ILE 47 -2.048 0.749 10.938 358 HA ILE 47 HA ILE 47 -2.757 1.985 8.525 359 HB ILE 47 HB ILE 47 -2.556 -0.492 8.982 360 HG12 ILE 47 1HG1 ILE 47 -5.105 0.344 7.585 361 HG13 ILE 47 2HG1 ILE 47 -3.498 0.505 6.883 362 HG21 ILE 47 1HG2 ILE 47 -4.591 -1.669 9.695 363 HG22 ILE 47 2HG2 ILE 47 -5.360 -0.117 10.033 364 HG23 ILE 47 3HG2 ILE 47 -3.949 -0.623 10.963 365 HD11 ILE 47 3HD1 ILE 47 -3.209 -1.915 6.997 366 HD12 ILE 47 1HD1 ILE 47 -4.631 -1.473 6.053 367 HD13 ILE 47 2HD1 ILE 47 -4.818 -2.073 7.701 368 H GLN 48 H GLN 48 -4.290 2.120 11.590 369 HA GLN 48 HA GLN 48 -6.921 2.730 10.584 370 HB2 GLN 48 1HB GLN 48 -5.812 3.129 13.364 371 HB3 GLN 48 2HB GLN 48 -7.506 3.171 12.903 372 HG2 GLN 48 1HG GLN 48 -7.265 0.781 12.189 373 HG3 GLN 48 2HG GLN 48 -5.668 0.800 12.940 374 HE21 GLN 48 2HE2 GLN 48 -7.960 -0.792 13.641 375 HE22 GLN 48 1HE2 GLN 48 -8.374 -0.397 15.279 376 H ASP 49 H ASP 49 -4.035 4.470 11.311 377 HA ASP 49 HA ASP 49 -5.468 6.993 10.904 378 HB2 ASP 49 1HB ASP 49 -5.065 6.687 13.342 379 HB3 ASP 49 2HB ASP 49 -3.336 6.599 13.013 380 H ILE 50 H ILE 50 -4.647 6.643 8.770 381 HA ILE 50 HA ILE 50 -1.863 7.560 8.502 382 HB ILE 50 HB ILE 50 -3.454 5.866 6.556 383 HG12 ILE 50 1HG1 ILE 50 -0.977 5.216 8.170 384 HG13 ILE 50 2HG1 ILE 50 -2.599 4.619 8.507 385 HG21 ILE 50 1HG2 ILE 50 -2.022 7.463 5.391 386 HG22 ILE 50 2HG2 ILE 50 -1.421 5.816 5.198 387 HG23 ILE 50 3HG2 ILE 50 -0.635 6.914 6.332 388 HD11 ILE 50 3HD1 ILE 50 -1.241 2.942 7.388 389 HD12 ILE 50 1HD1 ILE 50 -0.991 4.039 6.030 390 HD13 ILE 50 2HD1 ILE 50 -2.607 3.428 6.385 391 H GLU 51 H GLU 51 -1.571 9.431 7.410 392 HA GLU 51 HA GLU 51 -3.786 11.074 6.799 393 HB2 GLU 51 1HB GLU 51 -0.848 11.298 6.132 394 HB3 GLU 51 2HB GLU 51 -2.020 12.531 5.685 395 HG2 GLU 51 1HG GLU 51 -1.486 11.617 8.502 396 HG3 GLU 51 2HG GLU 51 -0.774 13.046 7.752 397 HA PRO 52 HA PRO 52 -4.890 9.462 2.786 398 HB2 PRO 52 1HB PRO 52 -5.909 12.234 2.435 399 HB3 PRO 52 2HB PRO 52 -6.747 10.693 2.218 400 HG2 PRO 52 1HG PRO 52 -7.234 12.220 4.345 401 HG3 PRO 52 2HG PRO 52 -7.170 10.453 4.485 402 HD2 PRO 52 1HD PRO 52 -5.144 12.497 5.284 403 HD3 PRO 52 2HD PRO 52 -5.594 10.978 6.085 404 H MET 53 H MET 53 -3.314 12.539 3.328 405 HA MET 53 HA MET 53 -2.409 12.823 0.616 406 HB2 MET 53 1HB MET 53 -2.914 14.720 2.206 407 HB3 MET 53 2HB MET 53 -1.438 14.298 3.065 408 HG2 MET 53 1HG MET 53 -0.091 14.859 1.190 409 HG3 MET 53 2HG MET 53 -1.505 15.022 0.147 410 HE1 MET 53 3HE MET 53 -3.514 16.508 2.127 411 HE2 MET 53 1HE MET 53 -3.328 16.971 0.437 412 HE3 MET 53 2HE MET 53 -3.236 18.198 1.700 413 H GLN 54 H GLN 54 -1.229 11.380 3.549 414 HA GLN 54 HA GLN 54 1.479 11.078 2.623 415 HB2 GLN 54 1HB GLN 54 -0.032 10.408 5.036 416 HB3 GLN 54 2HB GLN 54 1.122 9.163 4.579 417 HG2 GLN 54 1HG GLN 54 2.918 10.789 4.585 418 HG3 GLN 54 2HG GLN 54 1.774 12.072 4.979 419 HE21 GLN 54 2HE2 GLN 54 4.139 11.041 6.409 420 HE22 GLN 54 1HE2 GLN 54 3.572 10.624 7.989 421 H LEU 55 H LEU 55 -1.462 9.146 2.661 422 HA LEU 55 HA LEU 55 -0.332 6.823 1.496 423 HB2 LEU 55 1HB LEU 55 -2.590 6.975 2.583 424 HB3 LEU 55 2HB LEU 55 -3.152 7.865 1.183 425 HG LEU 55 HG LEU 55 -2.696 5.905 -0.241 426 HD11 LEU 55 1HD1 LEU 55 -0.885 4.914 1.055 427 HD12 LEU 55 2HD1 LEU 55 -2.184 3.749 0.798 428 HD13 LEU 55 3HD1 LEU 55 -2.009 4.544 2.363 429 HD21 LEU 55 3HD2 LEU 55 -4.526 4.519 0.578 430 HD22 LEU 55 1HD2 LEU 55 -4.915 6.232 0.729 431 HD23 LEU 55 2HD2 LEU 55 -4.431 5.310 2.152 432 H LEU 56 H LEU 56 -1.629 9.823 0.239 433 HA LEU 56 HA LEU 56 -1.365 9.202 -2.509 434 HB2 LEU 56 1HB LEU 56 -2.753 11.049 -1.638 435 HB3 LEU 56 2HB LEU 56 -1.311 11.885 -1.110 436 HG LEU 56 HG LEU 56 -2.492 12.628 -3.292 437 HD11 LEU 56 1HD1 LEU 56 -0.367 13.315 -4.273 438 HD12 LEU 56 2HD1 LEU 56 0.483 12.167 -3.237 439 HD13 LEU 56 3HD1 LEU 56 -0.371 13.535 -2.524 440 HD21 LEU 56 3HD2 LEU 56 -1.661 11.526 -5.313 441 HD22 LEU 56 1HD2 LEU 56 -2.659 10.445 -4.339 442 HD23 LEU 56 2HD2 LEU 56 -0.902 10.284 -4.315 443 H GLU 57 H GLU 57 0.839 10.396 -0.054 444 HA GLU 57 HA GLU 57 2.953 11.153 -1.750 445 HB2 GLU 57 1HB GLU 57 2.820 11.763 0.642 446 HB3 GLU 57 2HB GLU 57 3.099 10.083 1.077 447 HG2 GLU 57 1HG GLU 57 5.306 10.160 0.104 448 HG3 GLU 57 2HG GLU 57 5.032 11.807 -0.457 449 H VAL 58 H VAL 58 1.994 8.055 -0.382 450 HA VAL 58 HA VAL 58 4.164 6.497 -1.238 451 HB VAL 58 HB VAL 58 1.254 5.839 -0.793 452 HG11 VAL 58 1HG1 VAL 58 3.455 3.947 -1.605 453 HG12 VAL 58 2HG1 VAL 58 1.974 4.296 -2.494 454 HG13 VAL 58 3HG1 VAL 58 1.898 3.444 -0.951 455 HG21 VAL 58 3HG2 VAL 58 2.615 6.336 1.175 456 HG22 VAL 58 1HG2 VAL 58 3.771 5.092 0.691 457 HG23 VAL 58 2HG2 VAL 58 2.127 4.640 1.146 458 H ILE 59 H ILE 59 1.038 7.069 -2.840 459 HA ILE 59 HA ILE 59 1.702 5.822 -5.274 460 HB ILE 59 HB ILE 59 -0.403 7.703 -4.371 461 HG12 ILE 59 1HG1 ILE 59 -1.861 5.998 -5.441 462 HG13 ILE 59 2HG1 ILE 59 -0.416 5.110 -5.910 463 HG21 ILE 59 1HG2 ILE 59 0.164 7.259 -7.292 464 HG22 ILE 59 2HG2 ILE 59 0.231 8.794 -6.424 465 HG23 ILE 59 3HG2 ILE 59 -1.312 7.969 -6.641 466 HD11 ILE 59 3HD1 ILE 59 0.158 4.838 -3.540 467 HD12 ILE 59 1HD1 ILE 59 -1.405 4.129 -3.945 468 HD13 ILE 59 2HD1 ILE 59 -1.330 5.676 -3.099 469 H ARG 60 H ARG 60 2.097 9.119 -4.124 470 HA ARG 60 HA ARG 60 2.982 10.331 -6.492 471 HB2 ARG 60 1HB ARG 60 2.481 11.208 -3.983 472 HB3 ARG 60 2HB ARG 60 4.236 11.179 -3.943 473 HG2 ARG 60 1HG ARG 60 3.595 13.364 -4.569 474 HG3 ARG 60 2HG ARG 60 4.211 12.579 -6.026 475 HD2 ARG 60 1HD ARG 60 1.375 12.128 -5.705 476 HD3 ARG 60 2HD ARG 60 1.747 13.850 -5.707 477 HE ARG 60 HE ARG 60 2.829 13.512 -7.870 478 HH11 ARG 60 1HH1 ARG 60 0.666 11.012 -6.727 479 HH12 ARG 60 2HH1 ARG 60 0.321 10.388 -8.315 480 HH21 ARG 60 1HH2 ARG 60 2.347 12.735 -9.975 481 HH22 ARG 60 2HH2 ARG 60 1.261 11.380 -10.161 482 H ARG 61 H ARG 61 4.664 8.557 -3.969 483 HA ARG 61 HA ARG 61 7.308 8.918 -4.735 484 HB2 ARG 61 1HB ARG 61 6.763 7.880 -2.648 485 HB3 ARG 61 2HB ARG 61 5.894 6.583 -3.449 486 HG2 ARG 61 1HG ARG 61 7.944 5.696 -2.692 487 HG3 ARG 61 2HG ARG 61 8.068 5.855 -4.443 488 HD2 ARG 61 1HD ARG 61 9.352 7.901 -4.182 489 HD3 ARG 61 2HD ARG 61 9.179 7.803 -2.429 490 HE ARG 61 HE ARG 61 10.457 5.566 -3.825 491 HH11 ARG 61 1HH1 ARG 61 10.738 8.350 -1.723 492 HH12 ARG 61 2HH1 ARG 61 12.316 7.927 -1.139 493 HH21 ARG 61 1HH2 ARG 61 12.537 4.991 -3.071 494 HH22 ARG 61 2HH2 ARG 61 13.341 6.002 -1.899 495 H PHE 62 H PHE 62 5.025 6.374 -5.756 496 HA PHE 62 HA PHE 62 6.844 5.115 -7.526 497 HB2 PHE 62 1HB PHE 62 3.851 5.030 -7.265 498 HB3 PHE 62 2HB PHE 62 4.690 4.157 -8.543 499 HD1 PHE 62 HD2 PHE 62 6.098 2.259 -8.042 500 HD2 PHE 62 HD1 PHE 62 4.047 4.353 -4.956 501 HE1 PHE 62 HE2 PHE 62 6.532 0.396 -6.495 502 HE2 PHE 62 HE1 PHE 62 4.482 2.495 -3.404 503 HZ PHE 62 HZ PHE 62 5.726 0.513 -4.172 504 H GLU 63 H GLU 63 4.250 7.484 -8.102 505 HA GLU 63 HA GLU 63 4.639 7.633 -10.895 506 HB2 GLU 63 1HB GLU 63 3.403 9.554 -8.932 507 HB3 GLU 63 2HB GLU 63 3.460 9.873 -10.660 508 HG2 GLU 63 1HG GLU 63 2.245 7.727 -11.019 509 HG3 GLU 63 2HG GLU 63 2.054 7.610 -9.269 510 H ASP 64 H ASP 64 6.213 9.192 -8.213 511 HA ASP 64 HA ASP 64 7.516 11.244 -9.675 512 HB2 ASP 64 1HB ASP 64 7.251 11.213 -7.190 513 HB3 ASP 64 2HB ASP 64 8.435 9.911 -7.119 514 H ARG 65 H ARG 65 8.268 7.893 -8.974 515 HA ARG 65 HA ARG 65 10.861 8.057 -10.234 516 HB2 ARG 65 1HB ARG 65 9.262 5.724 -9.180 517 HB3 ARG 65 2HB ARG 65 10.818 5.535 -9.975 518 HG2 ARG 65 1HG ARG 65 11.518 7.347 -8.153 519 HG3 ARG 65 2HG ARG 65 10.173 6.601 -7.292 520 HD2 ARG 65 1HD ARG 65 12.380 4.989 -8.539 521 HD3 ARG 65 2HD ARG 65 12.502 5.635 -6.908 522 HE ARG 65 HE ARG 65 10.573 4.245 -6.319 523 HH11 ARG 65 1HH1 ARG 65 12.127 3.504 -9.383 524 HH12 ARG 65 2HH1 ARG 65 11.786 1.797 -9.281 525 HH21 ARG 65 1HH2 ARG 65 10.155 1.995 -6.179 526 HH22 ARG 65 2HH2 ARG 65 10.666 0.955 -7.478 527 H GLY 66 H GLY 66 7.657 7.747 -11.307 528 HA2 GLY 66 1HA GLY 66 7.136 7.896 -13.612 529 HA3 GLY 66 2HA GLY 66 8.676 7.137 -13.988 530 H ALA 67 H ALA 67 7.285 5.492 -11.474 531 HA ALA 67 HA ALA 67 6.493 3.308 -13.204 532 HB1 ALA 67 3HB ALA 67 6.208 2.043 -11.124 533 HB2 ALA 67 1HB ALA 67 6.514 3.507 -10.190 534 HB3 ALA 67 2HB ALA 67 7.791 2.820 -11.193 535 H MET 68 H MET 68 4.708 4.322 -14.203 536 HA MET 68 HA MET 68 2.598 5.502 -12.692 537 HB2 MET 68 1HB MET 68 2.427 4.573 -15.558 538 HB3 MET 68 2HB MET 68 1.483 5.832 -14.777 539 HG2 MET 68 1HG MET 68 4.366 5.901 -15.599 540 HG3 MET 68 2HG MET 68 3.044 6.928 -16.146 541 HE1 MET 68 3HE MET 68 1.751 8.615 -14.383 542 HE2 MET 68 1HE MET 68 2.363 8.932 -12.759 543 HE3 MET 68 2HE MET 68 1.688 7.350 -13.153 544 H GLU 69 H GLU 69 3.124 2.382 -14.199 545 HA GLU 69 HA GLU 69 0.456 1.451 -13.711 546 HB2 GLU 69 1HB GLU 69 1.924 -0.820 -14.145 547 HB3 GLU 69 2HB GLU 69 1.158 0.142 -15.398 548 HG2 GLU 69 1HG GLU 69 3.391 -0.301 -16.076 549 HG3 GLU 69 2HG GLU 69 3.291 1.403 -15.645 550 H ARG 70 H ARG 70 3.567 1.243 -12.108 551 HA ARG 70 HA ARG 70 2.645 -0.566 -10.092 552 HB2 ARG 70 1HB ARG 70 5.076 1.213 -10.192 553 HB3 ARG 70 2HB ARG 70 4.757 0.039 -8.919 554 HG2 ARG 70 1HG ARG 70 4.678 -1.725 -10.699 555 HG3 ARG 70 2HG ARG 70 5.249 -0.500 -11.835 556 HD2 ARG 70 1HD ARG 70 7.250 -0.169 -10.463 557 HD3 ARG 70 2HD ARG 70 6.676 -1.397 -9.333 558 HE ARG 70 HE ARG 70 7.480 -1.905 -12.123 559 HH11 ARG 70 1HH1 ARG 70 6.975 -3.006 -8.831 560 HH12 ARG 70 2HH1 ARG 70 7.660 -4.571 -9.124 561 HH21 ARG 70 1HH2 ARG 70 8.386 -3.958 -12.498 562 HH22 ARG 70 2HH2 ARG 70 8.468 -5.123 -11.199 563 H ALA 71 H ALA 71 2.481 2.844 -10.561 564 HA ALA 71 HA ALA 71 1.999 3.606 -7.873 565 HB1 ALA 71 3HB ALA 71 1.050 5.652 -8.822 566 HB2 ALA 71 1HB ALA 71 1.070 4.919 -10.425 567 HB3 ALA 71 2HB ALA 71 2.586 5.242 -9.584 568 H ASN 72 H ASN 72 -0.236 3.044 -10.599 569 HA ASN 72 HA ASN 72 -2.613 3.012 -9.128 570 HB2 ASN 72 1HB ASN 72 -1.820 1.602 -11.675 571 HB3 ASN 72 2HB ASN 72 -3.424 1.407 -10.976 572 HD21 ASN 72 2HD2 ASN 72 -2.694 2.562 -13.523 573 HD22 ASN 72 1HD2 ASN 72 -3.280 4.197 -13.504 574 H LYS 73 H LYS 73 -0.245 0.479 -9.715 575 HA LYS 73 HA LYS 73 -1.589 -1.673 -8.546 576 HB2 LYS 73 1HB LYS 73 1.095 -1.072 -9.393 577 HB3 LYS 73 2HB LYS 73 1.133 -1.940 -7.869 578 HG2 LYS 73 1HG LYS 73 1.285 -3.441 -9.787 579 HG3 LYS 73 2HG LYS 73 -0.169 -3.743 -8.835 580 HD2 LYS 73 1HD LYS 73 -1.537 -2.625 -10.437 581 HD3 LYS 73 2HD LYS 73 -0.124 -2.031 -11.314 582 HE2 LYS 73 1HE LYS 73 0.474 -4.296 -11.942 583 HE3 LYS 73 2HE LYS 73 -0.866 -4.937 -10.992 584 HZ1 LYS 73 3HZ LYS 73 -2.425 -4.058 -12.473 585 HZ2 LYS 73 1HZ LYS 73 -1.221 -4.714 -13.469 586 HZ3 LYS 73 2HZ LYS 73 -1.295 -3.038 -13.223 587 H ALA 74 H ALA 74 0.825 0.500 -7.044 588 HA ALA 74 HA ALA 74 0.722 -0.464 -4.460 589 HB1 ALA 74 3HB ALA 74 1.000 2.453 -5.190 590 HB2 ALA 74 1HB ALA 74 2.304 1.266 -5.305 591 HB3 ALA 74 2HB ALA 74 1.599 1.652 -3.735 592 H ARG 75 H ARG 75 -1.280 2.043 -5.923 593 HA ARG 75 HA ARG 75 -2.828 2.770 -3.743 594 HB2 ARG 75 1HB ARG 75 -2.809 3.971 -5.855 595 HB3 ARG 75 2HB ARG 75 -3.546 2.604 -6.672 596 HG2 ARG 75 1HG ARG 75 -5.588 2.920 -5.389 597 HG3 ARG 75 2HG ARG 75 -4.844 4.273 -4.528 598 HD2 ARG 75 1HD ARG 75 -4.602 5.497 -6.596 599 HD3 ARG 75 2HD ARG 75 -5.228 4.130 -7.512 600 HE ARG 75 HE ARG 75 -7.101 4.986 -5.563 601 HH11 ARG 75 1HH1 ARG 75 -5.705 5.897 -8.635 602 HH12 ARG 75 2HH1 ARG 75 -7.149 6.683 -9.211 603 HH21 ARG 75 1HH2 ARG 75 -9.008 6.061 -6.301 604 HH22 ARG 75 2HH2 ARG 75 -9.016 6.800 -7.877 605 H ARG 76 H ARG 76 -3.503 0.261 -6.177 606 HA ARG 76 HA ARG 76 -5.968 -0.517 -4.971 607 HB2 ARG 76 1HB ARG 76 -5.445 -0.812 -7.384 608 HB3 ARG 76 2HB ARG 76 -4.271 -2.047 -6.949 609 HG2 ARG 76 1HG ARG 76 -6.173 -3.278 -5.835 610 HG3 ARG 76 2HG ARG 76 -7.253 -2.136 -6.633 611 HD2 ARG 76 1HD ARG 76 -6.421 -2.826 -8.803 612 HD3 ARG 76 2HD ARG 76 -5.260 -3.909 -8.035 613 HE ARG 76 HE ARG 76 -8.024 -4.425 -8.531 614 HH11 ARG 76 1HH1 ARG 76 -5.401 -5.099 -6.328 615 HH12 ARG 76 2HH1 ARG 76 -6.075 -6.583 -5.742 616 HH21 ARG 76 1HH2 ARG 76 -8.927 -6.376 -7.808 617 HH22 ARG 76 2HH2 ARG 76 -8.099 -7.326 -6.617 618 H ARG 77 H ARG 77 -2.667 -1.760 -4.872 619 HA ARG 77 HA ARG 77 -3.207 -4.172 -3.509 620 HB2 ARG 77 1HB ARG 77 -0.710 -2.474 -3.498 621 HB3 ARG 77 2HB ARG 77 -0.806 -4.122 -2.899 622 HG2 ARG 77 1HG ARG 77 -1.682 -3.687 -5.684 623 HG3 ARG 77 2HG ARG 77 0.035 -3.470 -5.357 624 HD2 ARG 77 1HD ARG 77 -0.106 -5.705 -5.934 625 HD3 ARG 77 2HD ARG 77 -0.126 -5.751 -4.174 626 HE ARG 77 HE ARG 77 -2.648 -5.934 -4.464 627 HH11 ARG 77 1HH1 ARG 77 -0.368 -7.082 -6.856 628 HH12 ARG 77 2HH1 ARG 77 -1.384 -8.370 -7.416 629 HH21 ARG 77 1HH2 ARG 77 -4.009 -7.655 -5.181 630 HH22 ARG 77 2HH2 ARG 77 -3.434 -8.717 -6.446 631 H CYS 78 H CYS 78 -2.427 -0.911 -2.335 632 HA CYS 78 HA CYS 78 -2.330 -1.570 0.405 633 HB2 CYS 78 1HB CYS 78 -3.024 1.053 -0.937 634 HB3 CYS 78 2HB CYS 78 -2.716 0.862 0.786 635 HG CYS 78 HG CYS 78 -0.516 0.668 -1.798 636 H GLY 79 H GLY 79 -4.988 -0.626 -1.730 637 HA2 GLY 79 1HA GLY 79 -7.054 -0.418 0.119 638 HA3 GLY 79 2HA GLY 79 -7.246 -1.001 -1.529 639 H GLU 80 H GLU 80 -5.666 -3.314 -1.368 640 HA GLU 80 HA GLU 80 -7.413 -5.172 -0.155 641 HB2 GLU 80 1HB GLU 80 -4.620 -5.411 -1.238 642 HB3 GLU 80 2HB GLU 80 -5.439 -6.775 -0.492 643 HG2 GLU 80 1HG GLU 80 -7.275 -6.470 -2.160 644 HG3 GLU 80 2HG GLU 80 -6.250 -5.282 -2.968 645 H VAL 81 H VAL 81 -4.298 -3.820 0.861 646 HA VAL 81 HA VAL 81 -3.961 -5.346 3.191 647 HB VAL 81 HB VAL 81 -3.085 -2.484 2.741 648 HG11 VAL 81 1HG1 VAL 81 -2.967 -3.135 5.083 649 HG12 VAL 81 2HG1 VAL 81 -1.349 -2.982 4.398 650 HG13 VAL 81 3HG1 VAL 81 -2.053 -4.580 4.649 651 HG21 VAL 81 3HG2 VAL 81 -1.648 -5.070 2.155 652 HG22 VAL 81 1HG2 VAL 81 -0.949 -3.456 2.021 653 HG23 VAL 81 2HG2 VAL 81 -2.281 -3.932 0.965 654 H PHE 82 H PHE 82 -5.581 -2.244 2.647 655 HA PHE 82 HA PHE 82 -6.392 -1.741 5.278 656 HB2 PHE 82 1HB PHE 82 -7.705 -1.007 2.655 657 HB3 PHE 82 2HB PHE 82 -8.226 -0.386 4.217 658 HD1 PHE 82 HD1 PHE 82 -5.738 0.229 5.567 659 HD2 PHE 82 HD2 PHE 82 -6.806 0.746 1.481 660 HE1 PHE 82 HE1 PHE 82 -4.107 2.062 5.376 661 HE2 PHE 82 HE2 PHE 82 -5.174 2.577 1.283 662 HZ PHE 82 HZ PHE 82 -3.820 3.235 3.232 663 H ARG 83 H ARG 83 -8.074 -3.459 2.659 664 HA ARG 83 HA ARG 83 -10.378 -4.108 4.159 665 HB2 ARG 83 1HB ARG 83 -10.411 -4.202 1.745 666 HB3 ARG 83 2HB ARG 83 -9.156 -5.433 1.735 667 HG2 ARG 83 1HG ARG 83 -10.633 -7.059 2.653 668 HG3 ARG 83 2HG ARG 83 -11.868 -5.838 2.972 669 HD2 ARG 83 1HD ARG 83 -10.855 -6.573 0.228 670 HD3 ARG 83 2HD ARG 83 -12.323 -7.223 0.958 671 HE ARG 83 HE ARG 83 -13.183 -4.920 0.997 672 HH11 ARG 83 1HH1 ARG 83 -10.534 -5.674 -1.171 673 HH12 ARG 83 2HH1 ARG 83 -10.869 -4.352 -2.249 674 HH21 ARG 83 1HH2 ARG 83 -13.640 -3.209 -0.414 675 HH22 ARG 83 2HH2 ARG 83 -12.652 -2.946 -1.817 676 H TYR 84 H TYR 84 -7.343 -5.825 3.596 677 HA TYR 84 HA TYR 84 -7.930 -8.238 4.865 678 HB2 TYR 84 1HB TYR 84 -5.836 -7.526 3.529 679 HB3 TYR 84 2HB TYR 84 -5.248 -6.865 5.048 680 HD1 TYR 84 HD1 TYR 84 -4.832 -8.421 6.978 681 HD2 TYR 84 HD2 TYR 84 -5.724 -9.835 3.068 682 HE1 TYR 84 HE1 TYR 84 -3.936 -10.630 7.578 683 HE2 TYR 84 HE2 TYR 84 -4.830 -12.049 3.655 684 HH TYR 84 HH TYR 84 -3.143 -12.967 5.356 685 H ALA 85 H ALA 85 -6.812 -5.160 6.149 686 HA ALA 85 HA ALA 85 -6.551 -5.983 8.846 687 HB1 ALA 85 3HB ALA 85 -6.463 -3.600 9.352 688 HB2 ALA 85 1HB ALA 85 -7.009 -3.229 7.717 689 HB3 ALA 85 2HB ALA 85 -5.441 -3.997 7.969 690 H ILE 86 H ILE 86 -9.199 -4.534 6.999 691 HA ILE 86 HA ILE 86 -10.945 -4.103 9.166 692 HB ILE 86 HB ILE 86 -11.610 -4.673 6.271 693 HG12 ILE 86 1HG1 ILE 86 -11.450 -2.055 7.781 694 HG13 ILE 86 2HG1 ILE 86 -10.206 -2.660 6.695 695 HG21 ILE 86 1HG2 ILE 86 -13.527 -5.123 7.715 696 HG22 ILE 86 2HG2 ILE 86 -13.790 -3.675 6.743 697 HG23 ILE 86 3HG2 ILE 86 -13.358 -3.527 8.446 698 HD11 ILE 86 3HD1 ILE 86 -11.761 -2.542 4.829 699 HD12 ILE 86 1HD1 ILE 86 -11.602 -0.977 5.626 700 HD13 ILE 86 2HD1 ILE 86 -13.029 -1.971 5.914 701 H VAL 87 H VAL 87 -10.572 -6.867 6.972 702 HA VAL 87 HA VAL 87 -12.637 -8.445 8.054 703 HB VAL 87 HB VAL 87 -10.100 -9.383 6.701 704 HG11 VAL 87 1HG1 VAL 87 -12.752 -10.780 7.056 705 HG12 VAL 87 2HG1 VAL 87 -11.257 -11.178 7.900 706 HG13 VAL 87 3HG1 VAL 87 -11.368 -11.398 6.154 707 HG21 VAL 87 3HG2 VAL 87 -12.806 -8.718 5.556 708 HG22 VAL 87 1HG2 VAL 87 -11.463 -9.430 4.662 709 HG23 VAL 87 2HG2 VAL 87 -11.317 -7.802 5.323 710 H THR 88 H THR 88 -9.226 -8.140 8.903 711 HA THR 88 HA THR 88 -9.328 -10.310 10.794 712 HB THR 88 HB THR 88 -6.998 -9.506 11.387 713 HG1 THR 88 HG1 THR 88 -7.049 -7.979 9.029 714 HG21 THR 88 3HG2 THR 88 -6.008 -10.318 9.301 715 HG22 THR 88 1HG2 THR 88 -7.557 -10.121 8.482 716 HG23 THR 88 2HG2 THR 88 -7.387 -11.310 9.774 717 H GLY 89 H GLY 89 -10.548 -7.275 10.921 718 HA2 GLY 89 1HA GLY 89 -11.397 -6.051 12.683 719 HA3 GLY 89 2HA GLY 89 -10.876 -7.343 13.756 720 H ARG 90 H ARG 90 -8.776 -5.572 11.587 721 HA ARG 90 HA ARG 90 -7.381 -4.483 13.941 722 HB2 ARG 90 1HB ARG 90 -6.289 -5.026 11.176 723 HB3 ARG 90 2HB ARG 90 -5.368 -4.444 12.554 724 HG2 ARG 90 1HG ARG 90 -6.797 -7.084 12.576 725 HG3 ARG 90 2HG ARG 90 -5.155 -6.900 11.968 726 HD2 ARG 90 1HD ARG 90 -4.929 -7.603 14.203 727 HD3 ARG 90 2HD ARG 90 -4.580 -5.878 14.211 728 HE ARG 90 HE ARG 90 -7.194 -5.924 14.841 729 HH11 ARG 90 1HH1 ARG 90 -4.508 -7.818 16.035 730 HH12 ARG 90 2HH1 ARG 90 -5.119 -7.920 17.659 731 HH21 ARG 90 1HH2 ARG 90 -8.025 -6.062 16.999 732 HH22 ARG 90 2HH2 ARG 90 -7.117 -6.922 18.206 733 H ALA 91 H ALA 91 -9.225 -3.658 11.211 734 HA ALA 91 HA ALA 91 -8.747 -0.828 11.745 735 HB1 ALA 91 3HB ALA 91 -7.237 -1.358 9.884 736 HB2 ALA 91 1HB ALA 91 -8.524 -0.258 9.389 737 HB3 ALA 91 2HB ALA 91 -8.607 -1.965 8.953 738 H LYS 92 H LYS 92 -10.478 0.547 11.003 739 HA LYS 92 HA LYS 92 -13.005 -0.926 10.867 740 HB2 LYS 92 1HB LYS 92 -12.413 1.974 11.468 741 HB3 LYS 92 2HB LYS 92 -14.034 1.301 11.371 742 HG2 LYS 92 1HG LYS 92 -13.506 -0.210 13.226 743 HG3 LYS 92 2HG LYS 92 -11.894 0.503 13.333 744 HD2 LYS 92 1HD LYS 92 -12.880 2.681 13.829 745 HD3 LYS 92 2HD LYS 92 -14.497 1.991 13.689 746 HE2 LYS 92 1HE LYS 92 -13.822 2.213 16.025 747 HE3 LYS 92 2HE LYS 92 -14.049 0.522 15.579 748 HZ1 LYS 92 3HZ LYS 92 -11.686 0.254 15.400 749 HZ2 LYS 92 1HZ LYS 92 -12.043 0.901 16.919 750 HZ3 LYS 92 2HZ LYS 92 -11.416 1.898 15.696 751 H TYR 93 H TYR 93 -11.091 1.394 9.030 752 HA TYR 93 HA TYR 93 -12.878 1.049 6.758 753 HB2 TYR 93 1HB TYR 93 -13.297 3.381 6.421 754 HB3 TYR 93 2HB TYR 93 -13.720 3.023 8.091 755 HD1 TYR 93 HD2 TYR 93 -11.836 3.492 9.861 756 HD2 TYR 93 HD1 TYR 93 -11.921 5.187 5.958 757 HE1 TYR 93 HE2 TYR 93 -10.329 5.283 10.613 758 HE2 TYR 93 HE1 TYR 93 -10.415 6.983 6.697 759 HH TYR 93 HH TYR 93 -8.667 6.845 9.563 760 H ASN 94 H ASN 94 -11.964 2.329 4.819 761 HA ASN 94 HA ASN 94 -9.026 2.338 4.942 762 HB2 ASN 94 1HB ASN 94 -9.044 1.726 2.521 763 HB3 ASN 94 2HB ASN 94 -9.704 0.474 3.564 764 HD21 ASN 94 2HD2 ASN 94 -11.844 -0.078 3.397 765 HD22 ASN 94 1HD2 ASN 94 -12.868 0.489 2.123 766 HA PRO 95 HA PRO 95 -9.571 6.601 3.781 767 HB2 PRO 95 1HB PRO 95 -6.694 6.725 3.379 768 HB3 PRO 95 2HB PRO 95 -7.668 7.449 4.660 769 HG2 PRO 95 1HG PRO 95 -5.926 5.404 5.094 770 HG3 PRO 95 2HG PRO 95 -7.390 5.658 6.064 771 HD2 PRO 95 1HD PRO 95 -6.918 3.738 3.809 772 HD3 PRO 95 2HD PRO 95 -7.771 3.481 5.349 773 H ALA 96 H ALA 96 -9.588 4.392 1.712 774 HA ALA 96 HA ALA 96 -7.987 5.145 -0.484 775 HB1 ALA 96 3HB ALA 96 -10.545 3.556 -0.464 776 HB2 ALA 96 1HB ALA 96 -8.917 2.912 -0.260 777 HB3 ALA 96 2HB ALA 96 -9.390 3.641 -1.795 778 HA PRO 97 HA PRO 97 -12.070 7.452 -2.070 779 HB2 PRO 97 1HB PRO 97 -13.344 8.622 0.115 780 HB3 PRO 97 2HB PRO 97 -13.934 7.225 -0.791 781 HG2 PRO 97 1HG PRO 97 -12.418 7.312 1.786 782 HG3 PRO 97 2HG PRO 97 -13.753 6.248 1.301 783 HD2 PRO 97 1HD PRO 97 -11.237 5.371 1.315 784 HD3 PRO 97 2HD PRO 97 -12.365 4.886 0.029 785 H ASP 98 H ASP 98 -10.534 8.435 0.984 786 HA ASP 98 HA ASP 98 -10.349 11.189 0.279 787 HB2 ASP 98 1HB ASP 98 -8.782 9.632 2.351 788 HB3 ASP 98 2HB ASP 98 -8.881 11.386 2.243 789 H LEU 99 H LEU 99 -8.270 8.405 -0.049 790 HA LEU 99 HA LEU 99 -5.891 9.633 -0.835 791 HB2 LEU 99 1HB LEU 99 -6.066 7.268 -0.285 792 HB3 LEU 99 2HB LEU 99 -7.118 6.993 -1.652 793 HG LEU 99 HG LEU 99 -4.656 6.235 -1.787 794 HD11 LEU 99 1HD1 LEU 99 -6.169 6.165 -3.678 795 HD12 LEU 99 2HD1 LEU 99 -4.567 6.703 -4.186 796 HD13 LEU 99 3HD1 LEU 99 -5.873 7.873 -4.001 797 HD21 LEU 99 3HD2 LEU 99 -3.128 7.933 -2.683 798 HD22 LEU 99 1HD2 LEU 99 -3.618 8.282 -1.026 799 HD23 LEU 99 2HD2 LEU 99 -4.340 9.173 -2.364 800 H ALA 100 H ALA 100 -8.687 8.606 -2.773 801 HA ALA 100 HA ALA 100 -7.600 9.445 -5.262 802 HB1 ALA 100 3HB ALA 100 -9.857 9.152 -6.135 803 HB2 ALA 100 1HB ALA 100 -10.488 9.044 -4.492 804 HB3 ALA 100 2HB ALA 100 -9.403 7.795 -5.103 805 H ASP 101 H ASP 101 -9.480 11.012 -2.775 806 HA ASP 101 HA ASP 101 -10.243 13.296 -4.262 807 HB2 ASP 101 1HB ASP 101 -11.398 12.617 -2.210 808 HB3 ASP 101 2HB ASP 101 -9.943 12.941 -1.274 809 H ALA 102 H ALA 102 -7.596 12.692 -1.995 810 HA ALA 102 HA ALA 102 -6.426 15.261 -2.193 811 HB1 ALA 102 3HB ALA 102 -4.469 14.265 -1.154 812 HB2 ALA 102 1HB ALA 102 -5.094 12.649 -1.483 813 HB3 ALA 102 2HB ALA 102 -5.940 13.710 -0.355 814 H MET 103 H MET 103 -5.998 12.285 -4.007 815 HA MET 103 HA MET 103 -3.747 13.044 -5.526 816 HB2 MET 103 1HB MET 103 -4.629 10.722 -5.320 817 HB3 MET 103 2HB MET 103 -5.994 11.182 -6.326 818 HG2 MET 103 1HG MET 103 -4.380 11.742 -8.137 819 HG3 MET 103 2HG MET 103 -3.097 11.084 -7.122 820 HE1 MET 103 3HE MET 103 -3.000 8.596 -6.305 821 HE2 MET 103 1HE MET 103 -4.122 7.332 -6.809 822 HE3 MET 103 2HE MET 103 -4.665 8.617 -5.729 823 H LYS 104 H LYS 104 -7.147 13.712 -5.829 824 HA LYS 104 HA LYS 104 -7.051 14.573 -8.553 825 HB2 LYS 104 1HB LYS 104 -9.082 13.663 -7.415 826 HB3 LYS 104 2HB LYS 104 -9.163 15.138 -6.464 827 HG2 LYS 104 1HG LYS 104 -9.576 16.453 -8.424 828 HG3 LYS 104 2HG LYS 104 -9.295 15.062 -9.469 829 HD2 LYS 104 1HD LYS 104 -11.619 15.237 -9.377 830 HD3 LYS 104 2HD LYS 104 -11.247 13.968 -8.215 831 HE2 LYS 104 1HE LYS 104 -11.660 16.852 -7.452 832 HE3 LYS 104 2HE LYS 104 -12.959 15.666 -7.486 833 HZ1 LYS 104 3HZ LYS 104 -11.631 14.343 -5.865 834 HZ2 LYS 104 1HZ LYS 104 -12.170 15.838 -5.272 835 HZ3 LYS 104 2HZ LYS 104 -10.556 15.653 -5.742 836 H GLY 105 H GLY 105 -6.268 16.042 -5.550 837 HA2 GLY 105 1HA GLY 105 -6.090 18.655 -6.915 838 HA3 GLY 105 2HA GLY 105 -6.755 18.534 -5.293 839 H TYR 106 H TYR 106 -3.907 17.115 -6.881 840 HA TYR 106 HA TYR 106 -2.344 17.309 -4.522 841 HB2 TYR 106 1HB TYR 106 -1.928 15.551 -6.131 842 HB3 TYR 106 2HB TYR 106 -1.551 16.731 -7.381 843 HD1 TYR 106 HD2 TYR 106 -0.402 15.623 -4.003 844 HD2 TYR 106 HD1 TYR 106 0.661 17.308 -7.762 845 HE1 TYR 106 HE2 TYR 106 1.971 15.542 -3.363 846 HE2 TYR 106 HE1 TYR 106 3.035 17.231 -7.131 847 HH TYR 106 HH TYR 106 4.366 17.220 -4.962 848 H ARG 107 H ARG 107 -2.764 19.432 -7.280 849 HA ARG 107 HA ARG 107 -0.384 20.952 -6.751 850 HB2 ARG 107 1HB ARG 107 -2.735 21.363 -8.575 851 HB3 ARG 107 2HB ARG 107 -1.523 22.617 -8.353 852 HG2 ARG 107 1HG ARG 107 0.204 20.939 -9.043 853 HG3 ARG 107 2HG ARG 107 -1.122 19.854 -9.462 854 HD2 ARG 107 1HD ARG 107 -1.929 21.338 -11.127 855 HD3 ARG 107 2HD ARG 107 -0.876 22.639 -10.571 856 HE ARG 107 HE ARG 107 -0.016 20.235 -12.039 857 HH11 ARG 107 1HH1 ARG 107 0.598 23.463 -10.846 858 HH12 ARG 107 2HH1 ARG 107 2.056 23.669 -11.764 859 HH21 ARG 107 1HH2 ARG 107 1.906 20.485 -13.240 860 HH22 ARG 107 2HH2 ARG 107 2.822 21.956 -13.102 861 H LYS 108 H LYS 108 -3.564 20.924 -5.512 862 HA LYS 108 HA LYS 108 -4.626 22.158 -3.918 863 HB2 LYS 108 1HB LYS 108 -1.935 23.449 -3.421 864 HB3 LYS 108 2HB LYS 108 -3.292 23.369 -2.308 865 HG2 LYS 108 1HG LYS 108 -3.017 20.995 -2.056 866 HG3 LYS 108 2HG LYS 108 -1.766 20.972 -3.302 867 HD2 LYS 108 1HD LYS 108 -0.425 22.521 -1.864 868 HD3 LYS 108 2HD LYS 108 -1.632 22.296 -0.597 869 HE2 LYS 108 1HE LYS 108 -0.056 20.066 -1.875 870 HE3 LYS 108 2HE LYS 108 0.378 20.849 -0.359 871 HZ1 LYS 108 3HZ LYS 108 -1.811 20.141 0.518 872 HZ2 LYS 108 1HZ LYS 108 -0.791 18.848 0.119 873 HZ3 LYS 108 2HZ LYS 108 -2.071 19.262 -0.911 874 H LYS 109 H LYS 109 -4.513 23.132 -6.638 875 HA LYS 109 HA LYS 109 -4.071 25.954 -6.593 876 HB2 LYS 109 1HB LYS 109 -3.861 24.627 -8.671 877 HB3 LYS 109 2HB LYS 109 -5.590 24.304 -8.625 878 HG2 LYS 109 1HG LYS 109 -6.085 26.639 -8.934 879 HG3 LYS 109 2HG LYS 109 -4.375 27.054 -8.819 880 HD2 LYS 109 1HD LYS 109 -3.932 25.758 -10.855 881 HD3 LYS 109 2HD LYS 109 -5.650 25.366 -10.973 882 HE2 LYS 109 1HE LYS 109 -6.203 27.701 -11.254 883 HE3 LYS 109 2HE LYS 109 -4.522 28.165 -10.998 884 HZ1 LYS 109 3HZ LYS 109 -5.077 28.173 -13.338 885 HZ2 LYS 109 1HZ LYS 109 -5.554 26.545 -13.268 886 HZ3 LYS 109 2HZ LYS 109 -3.928 26.969 -13.017 887 H ASN 110 H ASN 110 -5.262 27.026 -5.166 888 HA ASN 110 HA ASN 110 -8.095 26.477 -4.854 889 HB2 ASN 110 1HB ASN 110 -7.983 28.035 -2.982 890 HB3 ASN 110 2HB ASN 110 -6.679 26.860 -2.867 891 HD21 ASN 110 2HD2 ASN 110 -6.893 29.469 -1.663 892 HD22 ASN 110 1HD2 ASN 110 -5.538 30.395 -2.224 893 H LEU 111 H LEU 111 -6.722 27.861 -7.231 894 HA LEU 111 HA LEU 111 -7.909 30.494 -7.230 895 HB2 LEU 111 1HB LEU 111 -6.598 28.958 -9.475 896 HB3 LEU 111 2HB LEU 111 -7.014 30.661 -9.500 897 HG LEU 111 HG LEU 111 -4.959 29.381 -7.697 898 HD11 LEU 111 1HD1 LEU 111 -3.342 30.610 -9.049 899 HD12 LEU 111 2HD1 LEU 111 -4.644 31.185 -10.090 900 HD13 LEU 111 3HD1 LEU 111 -4.258 29.466 -10.030 901 HD21 LEU 111 3HD2 LEU 111 -4.383 31.684 -7.092 902 HD22 LEU 111 1HD2 LEU 111 -6.034 31.277 -6.622 903 HD23 LEU 111 2HD2 LEU 111 -5.742 32.271 -8.050 904 H GLU 112 H GLU 112 -9.538 31.178 -8.663 905 HA GLU 112 HA GLU 112 -11.686 29.353 -8.990 906 HB2 GLU 112 1HB GLU 112 -11.299 32.117 -10.161 907 HB3 GLU 112 2HB GLU 112 -12.808 31.223 -10.167 908 HG2 GLU 112 1HG GLU 112 -12.959 32.804 -8.430 909 HG3 GLU 112 2HG GLU 112 -12.719 31.237 -7.660 910 H HIS 113 H HIS 113 -12.840 29.236 -11.189 911 HA HIS 113 HA HIS 113 -10.880 28.290 -13.153 912 HB2 HIS 113 1HB HIS 113 -13.890 27.945 -13.122 913 HB3 HIS 113 2HB HIS 113 -12.774 27.174 -14.240 914 HD1 HIS 113 HD1 HIS 113 -11.267 25.246 -13.264 915 HD2 HIS 113 HD2 HIS 113 -14.170 26.712 -10.671 916 HE1 HIS 113 HE1 HIS 113 -11.481 23.528 -11.440 917 HE2 HIS 113 HE2 HIS 113 -13.409 24.326 -10.028 918 H HIS 114 H HIS 114 -13.677 30.418 -12.825 919 HA HIS 114 HA HIS 114 -12.677 31.986 -15.101 920 HB2 HIS 114 1HB HIS 114 -15.545 31.122 -14.675 921 HB3 HIS 114 2HB HIS 114 -15.062 32.388 -15.797 922 HD1 HIS 114 HD1 HIS 114 -13.636 31.615 -17.888 923 HD2 HIS 114 HD2 HIS 114 -15.254 28.550 -15.589 924 HE1 HIS 114 HE1 HIS 114 -13.486 29.544 -19.313 925 HE2 HIS 114 HE2 HIS 114 -14.295 27.669 -17.824 926 H HIS 115 H HIS 115 -12.604 34.108 -14.699 927 HA HIS 115 HA HIS 115 -13.801 35.026 -12.170 928 HB2 HIS 115 1HB HIS 115 -11.558 36.206 -13.824 929 HB3 HIS 115 2HB HIS 115 -12.193 36.916 -12.343 930 HD1 HIS 115 HD1 HIS 115 -9.725 34.526 -13.583 931 HD2 HIS 115 HD2 HIS 115 -11.728 35.251 -10.004 932 HE1 HIS 115 HE1 HIS 115 -8.426 33.292 -11.807 933 HE2 HIS 115 HE2 HIS 115 -9.739 33.633 -9.669 934 H HIS 116 H HIS 116 -12.886 36.704 -15.148 935 HA HIS 116 HA HIS 116 -15.484 37.270 -16.052 936 HB2 HIS 116 1HB HIS 116 -14.745 38.894 -13.872 937 HB3 HIS 116 2HB HIS 116 -14.536 39.899 -15.303 938 HD1 HIS 116 HD1 HIS 116 -16.670 40.492 -16.665 939 HD2 HIS 116 HD2 HIS 116 -17.373 38.233 -13.242 940 HE1 HIS 116 HE1 HIS 116 -19.155 40.605 -16.271 941 HE2 HIS 116 HE2 HIS 116 -19.571 39.112 -14.281 942 H HIS 117 H HIS 117 -12.397 38.999 -15.695 943 HA HIS 117 HA HIS 117 -12.206 39.532 -18.511 944 HB2 HIS 117 1HB HIS 117 -11.175 40.987 -16.747 945 HB3 HIS 117 2HB HIS 117 -10.047 39.686 -16.386 946 HD1 HIS 117 HD1 HIS 117 -7.948 39.595 -17.755 947 HD2 HIS 117 HD2 HIS 117 -10.827 42.109 -19.397 948 HE1 HIS 117 HE1 HIS 117 -6.808 40.786 -19.655 949 HE2 HIS 117 HE2 HIS 117 -8.611 42.186 -20.726 950 H HIS 118 H HIS 118 -10.750 37.322 -16.187 951 HA HIS 118 HA HIS 118 -10.690 35.235 -18.157 952 HB2 HIS 118 1HB HIS 118 -8.484 36.499 -18.460 953 HB3 HIS 118 2HB HIS 118 -8.054 35.931 -16.849 954 HD1 HIS 118 HD1 HIS 118 -6.073 34.869 -18.511 955 HD2 HIS 118 HD2 HIS 118 -9.839 33.099 -18.562 956 HE1 HIS 118 HE1 HIS 118 -5.736 32.583 -19.494 957 HE2 HIS 118 HE2 HIS 118 -8.052 31.618 -19.707 Start of MODEL 10 1 H1 SER 1 1H SER 1 10.078 -0.519 16.139 2 H2 SER 1 2H SER 1 10.407 1.070 16.629 3 H3 SER 1 3H SER 1 10.091 0.738 14.999 4 HA SER 1 HA SER 1 8.190 0.470 17.250 5 HB2 SER 1 1HB SER 1 8.282 2.436 14.946 6 HB3 SER 1 2HB SER 1 7.015 2.347 16.170 7 HG SER 1 HG SER 1 8.525 2.910 17.744 8 H SER 2 H SER 2 7.104 -1.347 16.878 9 HA SER 2 HA SER 2 5.712 -1.562 14.302 10 HB2 SER 2 1HB SER 2 6.977 -3.891 15.776 11 HB3 SER 2 2HB SER 2 6.012 -4.001 14.302 12 HG SER 2 HG SER 2 7.803 -2.290 13.668 13 H ASN 3 H ASN 3 3.735 -0.999 14.980 14 HA ASN 3 HA ASN 3 2.739 -1.914 17.559 15 HB2 ASN 3 1HB ASN 3 2.497 0.470 16.449 16 HB3 ASN 3 2HB ASN 3 1.122 -0.273 15.641 17 HD21 ASN 3 2HD2 ASN 3 1.144 1.898 17.528 18 HD22 ASN 3 1HD2 ASN 3 0.187 1.394 18.884 19 H ASN 4 H ASN 4 0.347 -2.631 17.557 20 HA ASN 4 HA ASN 4 0.211 -5.067 16.114 21 HB2 ASN 4 1HB ASN 4 -0.823 -4.615 18.371 22 HB3 ASN 4 2HB ASN 4 -2.074 -3.696 17.540 23 HD21 ASN 4 2HD2 ASN 4 -3.749 -5.032 18.107 24 HD22 ASN 4 1HD2 ASN 4 -3.912 -6.648 17.503 25 H ASN 5 H ASN 5 -1.344 -1.926 15.682 26 HA ASN 5 HA ASN 5 -2.729 -2.938 13.307 27 HB2 ASN 5 1HB ASN 5 -3.000 -0.372 14.872 28 HB3 ASN 5 2HB ASN 5 -3.777 -0.614 13.314 29 HD21 ASN 5 2HD2 ASN 5 -3.733 -1.480 16.661 30 HD22 ASN 5 1HD2 ASN 5 -5.264 -2.293 16.679 31 H SER 6 H SER 6 0.245 -2.125 13.759 32 HA SER 6 HA SER 6 0.698 0.115 12.094 33 HB2 SER 6 1HB SER 6 2.347 -0.847 13.753 34 HB3 SER 6 2HB SER 6 2.629 -2.157 12.607 35 HG SER 6 HG SER 6 2.915 0.572 11.903 36 H PHE 7 H PHE 7 1.118 0.261 9.942 37 HA PHE 7 HA PHE 7 -0.215 -1.493 8.244 38 HB2 PHE 7 1HB PHE 7 0.434 0.934 7.819 39 HB3 PHE 7 2HB PHE 7 2.025 0.329 7.367 40 HD1 PHE 7 HD2 PHE 7 2.342 -0.930 5.321 41 HD2 PHE 7 HD1 PHE 7 -1.494 0.543 6.425 42 HE1 PHE 7 HE2 PHE 7 1.529 -1.339 3.037 43 HE2 PHE 7 HE1 PHE 7 -2.313 0.137 4.139 44 HZ PHE 7 HZ PHE 7 -0.798 -0.806 2.442 45 H SER 8 H SER 8 3.190 -1.351 9.144 46 HA SER 8 HA SER 8 4.186 -3.165 7.253 47 HB2 SER 8 1HB SER 8 6.032 -3.491 8.987 48 HB3 SER 8 2HB SER 8 5.748 -1.836 8.448 49 HG SER 8 HG SER 8 4.942 -1.319 10.364 50 H ALA 9 H ALA 9 2.740 -3.671 10.425 51 HA ALA 9 HA ALA 9 3.395 -6.405 10.690 52 HB1 ALA 9 3HB ALA 9 1.704 -6.437 12.457 53 HB2 ALA 9 1HB ALA 9 1.116 -4.861 11.927 54 HB3 ALA 9 2HB ALA 9 2.742 -5.019 12.592 55 H ILE 10 H ILE 10 0.408 -4.796 9.637 56 HA ILE 10 HA ILE 10 -0.964 -7.215 9.049 57 HB ILE 10 HB ILE 10 -1.537 -4.417 8.051 58 HG12 ILE 10 1HG1 ILE 10 -2.565 -5.926 10.467 59 HG13 ILE 10 2HG1 ILE 10 -1.464 -4.552 10.497 60 HG21 ILE 10 1HG2 ILE 10 -3.823 -5.228 7.724 61 HG22 ILE 10 2HG2 ILE 10 -3.317 -6.847 8.207 62 HG23 ILE 10 3HG2 ILE 10 -2.673 -6.124 6.733 63 HD11 ILE 10 3HD1 ILE 10 -3.218 -3.129 9.583 64 HD12 ILE 10 1HD1 ILE 10 -3.719 -3.894 11.091 65 HD13 ILE 10 2HD1 ILE 10 -4.319 -4.506 9.550 66 H TYR 11 H TYR 11 1.002 -4.993 7.159 67 HA TYR 11 HA TYR 11 0.570 -6.078 4.609 68 HB2 TYR 11 1HB TYR 11 1.721 -4.027 4.683 69 HB3 TYR 11 2HB TYR 11 2.880 -4.616 5.870 70 HD1 TYR 11 HD1 TYR 11 1.787 -5.308 2.359 71 HD2 TYR 11 HD2 TYR 11 4.993 -5.164 5.150 72 HE1 TYR 11 HE1 TYR 11 3.373 -5.838 0.556 73 HE2 TYR 11 HE2 TYR 11 6.588 -5.691 3.356 74 HH TYR 11 HH TYR 11 6.644 -6.678 1.182 75 H LYS 12 H LYS 12 2.758 -7.030 7.211 76 HA LYS 12 HA LYS 12 4.230 -8.948 5.774 77 HB2 LYS 12 1HB LYS 12 4.887 -8.052 7.996 78 HB3 LYS 12 2HB LYS 12 3.564 -8.952 8.725 79 HG2 LYS 12 1HG LYS 12 5.623 -10.143 9.053 80 HG3 LYS 12 2HG LYS 12 4.594 -11.047 7.941 81 HD2 LYS 12 1HD LYS 12 5.865 -10.127 6.045 82 HD3 LYS 12 2HD LYS 12 6.912 -9.270 7.178 83 HE2 LYS 12 1HE LYS 12 6.564 -12.261 7.028 84 HE3 LYS 12 2HE LYS 12 7.925 -11.354 6.371 85 HZ1 LYS 12 3HZ LYS 12 7.164 -11.485 9.243 86 HZ2 LYS 12 1HZ LYS 12 8.485 -10.633 8.605 87 HZ3 LYS 12 2HZ LYS 12 8.445 -12.325 8.521 88 H GLU 13 H GLU 13 1.315 -9.251 7.781 89 HA GLU 13 HA GLU 13 0.903 -12.006 7.475 90 HB2 GLU 13 1HB GLU 13 -1.169 -9.818 7.760 91 HB3 GLU 13 2HB GLU 13 -1.456 -11.531 8.021 92 HG2 GLU 13 1HG GLU 13 0.134 -11.502 9.885 93 HG3 GLU 13 2HG GLU 13 0.387 -9.776 9.629 94 H TRP 14 H TRP 14 -0.345 -9.278 5.609 95 HA TRP 14 HA TRP 14 -1.874 -10.685 3.753 96 HB2 TRP 14 1HB TRP 14 -2.134 -8.321 3.985 97 HB3 TRP 14 2HB TRP 14 -0.444 -8.033 3.601 98 HD1 TRP 14 HD1 TRP 14 -3.642 -9.332 1.821 99 HE1 TRP 14 HE1 TRP 14 -3.511 -8.590 -0.651 100 HE3 TRP 14 HE3 TRP 14 1.000 -7.195 1.854 101 HZ2 TRP 14 HZ2 TRP 14 -1.683 -7.283 -2.344 102 HZ3 TRP 14 HZ3 TRP 14 1.866 -6.221 -0.230 103 HH2 TRP 14 HH2 TRP 14 0.553 -6.265 -2.287 104 H TYR 15 H TYR 15 1.491 -9.529 3.452 105 HA TYR 15 HA TYR 15 1.892 -10.564 0.865 106 HB2 TYR 15 1HB TYR 15 3.373 -8.855 1.664 107 HB3 TYR 15 2HB TYR 15 3.884 -9.857 3.022 108 HD1 TYR 15 HD1 TYR 15 3.661 -10.221 -0.700 109 HD2 TYR 15 HD2 TYR 15 5.995 -10.755 2.817 110 HE1 TYR 15 HE1 TYR 15 5.484 -11.147 -2.060 111 HE2 TYR 15 HE2 TYR 15 7.829 -11.680 1.464 112 HH TYR 15 HH TYR 15 7.932 -11.413 -1.907 113 H GLU 16 H GLU 16 2.807 -11.901 4.049 114 HA GLU 16 HA GLU 16 4.202 -14.118 3.057 115 HB2 GLU 16 1HB GLU 16 4.147 -13.229 5.446 116 HB3 GLU 16 2HB GLU 16 2.640 -14.114 5.636 117 HG2 GLU 16 1HG GLU 16 3.856 -15.861 6.238 118 HG3 GLU 16 2HG GLU 16 4.393 -15.970 4.558 119 H HIS 17 H HIS 17 0.790 -13.661 3.778 120 HA HIS 17 HA HIS 17 0.033 -16.372 3.393 121 HB2 HIS 17 1HB HIS 17 -1.395 -14.973 4.700 122 HB3 HIS 17 2HB HIS 17 -1.530 -13.788 3.406 123 HD1 HIS 17 HD1 HIS 17 -2.320 -17.533 3.666 124 HD2 HIS 17 HD2 HIS 17 -3.955 -13.957 2.294 125 HE1 HIS 17 HE1 HIS 17 -4.558 -18.134 2.679 126 HE2 HIS 17 HE2 HIS 17 -5.469 -15.974 1.746 127 H LYS 18 H LYS 18 -0.240 -13.493 1.275 128 HA LYS 18 HA LYS 18 -1.317 -15.135 -0.841 129 HB2 LYS 18 1HB LYS 18 -0.598 -12.206 -0.764 130 HB3 LYS 18 2HB LYS 18 -1.318 -13.009 -2.156 131 HG2 LYS 18 1HG LYS 18 -3.210 -13.692 -0.643 132 HG3 LYS 18 2HG LYS 18 -2.526 -12.610 0.568 133 HD2 LYS 18 1HD LYS 18 -4.305 -11.502 -0.660 134 HD3 LYS 18 2HD LYS 18 -2.752 -10.735 -0.999 135 HE2 LYS 18 1HE LYS 18 -2.603 -11.801 -3.124 136 HE3 LYS 18 2HE LYS 18 -3.985 -12.836 -2.768 137 HZ1 LYS 18 3HZ LYS 18 -4.205 -9.879 -2.893 138 HZ2 LYS 18 1HZ LYS 18 -5.455 -11.029 -2.930 139 HZ3 LYS 18 2HZ LYS 18 -4.412 -10.868 -4.257 140 H LYS 19 H LYS 19 1.744 -14.625 0.249 141 HA LYS 19 HA LYS 19 3.242 -14.588 -2.136 142 HB2 LYS 19 1HB LYS 19 4.349 -14.151 -0.059 143 HB3 LYS 19 2HB LYS 19 3.824 -15.684 0.618 144 HG2 LYS 19 1HG LYS 19 5.307 -16.898 -0.798 145 HG3 LYS 19 2HG LYS 19 5.714 -15.443 -1.710 146 HD2 LYS 19 1HD LYS 19 7.462 -16.090 -0.088 147 HD3 LYS 19 2HD LYS 19 6.795 -14.488 0.228 148 HE2 LYS 19 1HE LYS 19 5.428 -15.358 2.007 149 HE3 LYS 19 2HE LYS 19 5.915 -17.009 1.624 150 HZ1 LYS 19 3HZ LYS 19 8.041 -16.655 2.438 151 HZ2 LYS 19 1HZ LYS 19 7.060 -15.841 3.559 152 HZ3 LYS 19 2HZ LYS 19 7.908 -14.964 2.376 153 H GLN 20 H GLN 20 1.404 -17.042 -0.546 154 HA GLN 20 HA GLN 20 2.540 -19.264 -1.979 155 HB2 GLN 20 1HB GLN 20 -0.132 -19.077 -0.574 156 HB3 GLN 20 2HB GLN 20 0.702 -20.551 -1.040 157 HG2 GLN 20 1HG GLN 20 2.455 -20.109 0.562 158 HG3 GLN 20 2HG GLN 20 1.711 -18.564 0.980 159 HE21 GLN 20 2HE2 GLN 20 2.295 -20.864 2.672 160 HE22 GLN 20 1HE2 GLN 20 0.777 -21.323 3.376 161 H VAL 21 H VAL 21 0.283 -16.805 -2.642 162 HA VAL 21 HA VAL 21 -1.268 -18.347 -4.547 163 HB VAL 21 HB VAL 21 -1.459 -15.399 -3.911 164 HG11 VAL 21 1HG1 VAL 21 -2.490 -15.991 -6.025 165 HG12 VAL 21 2HG1 VAL 21 -3.726 -15.598 -4.829 166 HG13 VAL 21 3HG1 VAL 21 -3.402 -17.281 -5.241 167 HG21 VAL 21 3HG2 VAL 21 -3.000 -17.705 -2.726 168 HG22 VAL 21 1HG2 VAL 21 -3.333 -15.996 -2.444 169 HG23 VAL 21 2HG2 VAL 21 -1.815 -16.702 -1.889 170 H TRP 22 H TRP 22 1.041 -15.682 -4.532 171 HA TRP 22 HA TRP 22 0.963 -15.519 -7.440 172 HB2 TRP 22 1HB TRP 22 2.689 -13.954 -5.512 173 HB3 TRP 22 2HB TRP 22 2.418 -13.594 -7.212 174 HD1 TRP 22 HD1 TRP 22 -0.833 -13.961 -7.061 175 HE1 TRP 22 HE1 TRP 22 -2.192 -12.069 -5.964 176 HE3 TRP 22 HE3 TRP 22 2.893 -11.765 -4.337 177 HZ2 TRP 22 HZ2 TRP 22 -1.735 -9.925 -4.182 178 HZ3 TRP 22 HZ3 TRP 22 2.351 -9.793 -2.969 179 HH2 TRP 22 HH2 TRP 22 0.083 -8.895 -2.894 180 H SER 23 H SER 23 3.008 -15.539 -8.660 181 HA SER 23 HA SER 23 4.756 -17.675 -8.010 182 HB2 SER 23 1HB SER 23 5.270 -15.397 -9.943 183 HB3 SER 23 2HB SER 23 5.977 -17.013 -9.986 184 HG SER 23 HG SER 23 4.158 -17.823 -10.785 185 H VAL 24 H VAL 24 6.903 -17.577 -7.184 186 HA VAL 24 HA VAL 24 7.186 -15.685 -5.119 187 HB VAL 24 HB VAL 24 8.165 -17.981 -5.079 188 HG11 VAL 24 1HG1 VAL 24 9.148 -18.037 -7.297 189 HG12 VAL 24 2HG1 VAL 24 10.370 -18.349 -6.064 190 HG13 VAL 24 3HG1 VAL 24 10.285 -16.768 -6.841 191 HG21 VAL 24 3HG2 VAL 24 8.794 -16.343 -3.414 192 HG22 VAL 24 1HG2 VAL 24 10.040 -15.697 -4.484 193 HG23 VAL 24 2HG2 VAL 24 10.189 -17.333 -3.841 194 H GLY 25 H GLY 25 8.472 -15.759 -8.390 195 HA2 GLY 25 1HA GLY 25 10.355 -13.673 -8.116 196 HA3 GLY 25 2HA GLY 25 9.554 -14.139 -9.612 197 H TYR 26 H TYR 26 6.944 -13.621 -9.076 198 HA TYR 26 HA TYR 26 6.778 -10.811 -9.372 199 HB2 TYR 26 1HB TYR 26 5.149 -12.262 -10.435 200 HB3 TYR 26 2HB TYR 26 4.635 -12.889 -8.873 201 HD1 TYR 26 HD1 TYR 26 4.752 -9.776 -10.909 202 HD2 TYR 26 HD2 TYR 26 2.894 -11.859 -7.699 203 HE1 TYR 26 HE1 TYR 26 3.027 -8.028 -10.782 204 HE2 TYR 26 HE2 TYR 26 1.164 -10.118 -7.563 205 HH TYR 26 HH TYR 26 0.714 -7.773 -9.984 206 H ALA 27 H ALA 27 6.034 -13.027 -6.719 207 HA ALA 27 HA ALA 27 4.883 -11.166 -4.968 208 HB1 ALA 27 3HB ALA 27 6.431 -13.661 -4.282 209 HB2 ALA 27 1HB ALA 27 4.709 -13.584 -4.654 210 HB3 ALA 27 2HB ALA 27 5.336 -12.792 -3.208 211 H THR 28 H THR 28 8.261 -12.221 -5.308 212 HA THR 28 HA THR 28 9.201 -10.635 -3.149 213 HB THR 28 HB THR 28 10.821 -11.696 -5.473 214 HG1 THR 28 HG1 THR 28 9.991 -13.510 -4.629 215 HG21 THR 28 3HG2 THR 28 11.600 -11.006 -2.634 216 HG22 THR 28 1HG2 THR 28 11.995 -10.057 -4.066 217 HG23 THR 28 2HG2 THR 28 12.667 -11.674 -3.867 218 H GLU 29 H GLU 29 8.936 -10.071 -6.647 219 HA GLU 29 HA GLU 29 10.340 -7.618 -6.676 220 HB2 GLU 29 1HB GLU 29 9.760 -8.898 -8.730 221 HB3 GLU 29 2HB GLU 29 8.072 -8.465 -8.494 222 HG2 GLU 29 1HG GLU 29 8.733 -6.069 -8.650 223 HG3 GLU 29 2HG GLU 29 10.362 -6.598 -9.064 224 H LEU 30 H LEU 30 6.895 -8.381 -6.342 225 HA LEU 30 HA LEU 30 5.951 -5.746 -6.145 226 HB2 LEU 30 1HB LEU 30 4.542 -7.752 -6.540 227 HB3 LEU 30 2HB LEU 30 4.815 -8.250 -4.884 228 HG LEU 30 HG LEU 30 3.557 -5.583 -5.415 229 HD11 LEU 30 1HD1 LEU 30 2.310 -7.160 -6.805 230 HD12 LEU 30 2HD1 LEU 30 1.354 -6.631 -5.421 231 HD13 LEU 30 3HD1 LEU 30 2.104 -8.226 -5.415 232 HD21 LEU 30 3HD2 LEU 30 4.200 -6.184 -3.126 233 HD22 LEU 30 1HD2 LEU 30 3.207 -7.639 -3.233 234 HD23 LEU 30 2HD2 LEU 30 2.449 -6.048 -3.294 235 H ALA 31 H ALA 31 6.923 -8.061 -3.646 236 HA ALA 31 HA ALA 31 6.342 -6.387 -1.451 237 HB1 ALA 31 3HB ALA 31 6.559 -8.802 -1.231 238 HB2 ALA 31 1HB ALA 31 7.658 -7.962 -0.136 239 HB3 ALA 31 2HB ALA 31 8.277 -8.689 -1.620 240 H LYS 32 H LYS 32 9.280 -6.861 -3.371 241 HA LYS 32 HA LYS 32 10.968 -5.421 -1.611 242 HB2 LYS 32 1HB LYS 32 11.703 -7.013 -3.473 243 HB3 LYS 32 2HB LYS 32 11.435 -5.668 -4.581 244 HG2 LYS 32 1HG LYS 32 13.789 -5.880 -3.857 245 HG3 LYS 32 2HG LYS 32 13.068 -4.324 -3.419 246 HD2 LYS 32 1HD LYS 32 12.463 -5.574 -1.203 247 HD3 LYS 32 2HD LYS 32 13.776 -6.648 -1.684 248 HE2 LYS 32 1HE LYS 32 15.370 -4.954 -1.533 249 HE3 LYS 32 2HE LYS 32 14.151 -3.677 -1.598 250 HZ1 LYS 32 3HZ LYS 32 14.449 -5.600 0.645 251 HZ2 LYS 32 1HZ LYS 32 13.397 -4.270 0.580 252 HZ3 LYS 32 2HZ LYS 32 15.076 -4.022 0.645 253 H MET 33 H MET 33 9.195 -4.507 -4.525 254 HA MET 33 HA MET 33 9.983 -1.807 -4.601 255 HB2 MET 33 1HB MET 33 8.839 -2.956 -6.457 256 HB3 MET 33 2HB MET 33 7.381 -3.078 -5.484 257 HG2 MET 33 1HG MET 33 7.358 -0.571 -5.390 258 HG3 MET 33 2HG MET 33 8.654 -0.593 -6.588 259 HE1 MET 33 3HE MET 33 5.583 -3.048 -6.273 260 HE2 MET 33 1HE MET 33 4.411 -2.250 -7.320 261 HE3 MET 33 2HE MET 33 4.924 -1.476 -5.821 262 H PHE 34 H PHE 34 7.392 -3.495 -2.939 263 HA PHE 34 HA PHE 34 5.983 -1.266 -1.960 264 HB2 PHE 34 1HB PHE 34 5.350 -3.789 -2.016 265 HB3 PHE 34 2HB PHE 34 6.193 -3.880 -0.474 266 HD1 PHE 34 HD1 PHE 34 5.404 -2.279 1.383 267 HD2 PHE 34 HD2 PHE 34 3.142 -3.148 -2.117 268 HE1 PHE 34 HE1 PHE 34 3.357 -1.539 2.525 269 HE2 PHE 34 HE2 PHE 34 1.090 -2.408 -0.980 270 HZ PHE 34 HZ PHE 34 1.197 -1.603 1.343 271 H ASP 35 H ASP 35 8.559 -3.264 -0.410 272 HA ASP 35 HA ASP 35 8.492 -1.642 1.941 273 HB2 ASP 35 1HB ASP 35 10.177 -2.988 2.845 274 HB3 ASP 35 2HB ASP 35 9.291 -4.084 1.798 275 H ASP 36 H ASP 36 10.516 -1.725 -0.935 276 HA ASP 36 HA ASP 36 12.570 -0.068 0.039 277 HB2 ASP 36 1HB ASP 36 12.844 -1.538 -1.896 278 HB3 ASP 36 2HB ASP 36 11.697 -0.569 -2.811 279 H ASP 37 H ASP 37 9.463 0.712 -1.357 280 HA ASP 37 HA ASP 37 10.235 3.554 -1.272 281 HB2 ASP 37 1HB ASP 37 8.226 2.117 -2.986 282 HB3 ASP 37 2HB ASP 37 8.182 3.864 -2.772 283 H ILE 38 H ILE 38 7.590 1.319 -0.484 284 HA ILE 38 HA ILE 38 5.972 3.477 0.537 285 HB ILE 38 HB ILE 38 5.403 0.518 0.702 286 HG12 ILE 38 1HG1 ILE 38 4.791 2.494 -1.506 287 HG13 ILE 38 2HG1 ILE 38 5.862 1.107 -1.613 288 HG21 ILE 38 1HG2 ILE 38 3.991 1.900 2.128 289 HG22 ILE 38 2HG2 ILE 38 3.061 1.240 0.783 290 HG23 ILE 38 3HG2 ILE 38 3.582 2.924 0.752 291 HD11 ILE 38 3HD1 ILE 38 3.742 0.679 -2.708 292 HD12 ILE 38 1HD1 ILE 38 2.886 1.001 -1.199 293 HD13 ILE 38 2HD1 ILE 38 3.967 -0.389 -1.321 294 H LEU 39 H LEU 39 8.122 1.058 1.910 295 HA LEU 39 HA LEU 39 6.909 0.947 4.466 296 HB2 LEU 39 1HB LEU 39 8.812 -0.516 3.298 297 HB3 LEU 39 2HB LEU 39 9.840 0.526 4.258 298 HG LEU 39 HG LEU 39 9.290 -1.654 5.339 299 HD11 LEU 39 1HD1 LEU 39 8.769 -0.727 7.536 300 HD12 LEU 39 2HD1 LEU 39 8.295 0.796 6.785 301 HD13 LEU 39 3HD1 LEU 39 9.970 0.251 6.692 302 HD21 LEU 39 3HD2 LEU 39 6.511 -0.487 5.437 303 HD22 LEU 39 1HD2 LEU 39 7.043 -1.938 6.290 304 HD23 LEU 39 2HD2 LEU 39 7.019 -1.910 4.526 305 HA PRO 40 HA PRO 40 10.172 4.317 5.809 306 HB2 PRO 40 1HB PRO 40 10.640 5.714 3.246 307 HB3 PRO 40 2HB PRO 40 11.787 5.283 4.518 308 HG2 PRO 40 1HG PRO 40 11.763 3.985 2.186 309 HG3 PRO 40 2HG PRO 40 12.075 3.132 3.710 310 HD2 PRO 40 1HD PRO 40 9.561 3.257 2.082 311 HD3 PRO 40 2HD PRO 40 10.300 1.868 2.909 312 H ILE 41 H ILE 41 7.535 4.505 3.659 313 HA ILE 41 HA ILE 41 7.010 7.320 4.230 314 HB ILE 41 HB ILE 41 5.395 5.419 2.524 315 HG12 ILE 41 1HG1 ILE 41 7.649 5.754 1.601 316 HG13 ILE 41 2HG1 ILE 41 6.428 6.528 0.598 317 HG21 ILE 41 1HG2 ILE 41 4.389 7.477 1.625 318 HG22 ILE 41 2HG2 ILE 41 5.303 8.421 2.801 319 HG23 ILE 41 3HG2 ILE 41 4.080 7.276 3.349 320 HD11 ILE 41 3HD1 ILE 41 7.004 8.689 1.592 321 HD12 ILE 41 1HD1 ILE 41 8.385 7.926 0.802 322 HD13 ILE 41 2HD1 ILE 41 8.248 7.900 2.562 323 H ILE 42 H ILE 42 5.209 4.221 4.494 324 HA ILE 42 HA ILE 42 3.745 5.432 6.757 325 HB ILE 42 HB ILE 42 1.699 4.296 6.033 326 HG12 ILE 42 1HG1 ILE 42 2.957 3.780 3.362 327 HG13 ILE 42 2HG1 ILE 42 3.121 2.594 4.653 328 HG21 ILE 42 1HG2 ILE 42 1.156 5.757 4.148 329 HG22 ILE 42 2HG2 ILE 42 2.871 6.109 3.930 330 HG23 ILE 42 3HG2 ILE 42 2.046 6.618 5.404 331 HD11 ILE 42 3HD1 ILE 42 0.545 3.624 3.501 332 HD12 ILE 42 1HD1 ILE 42 0.691 2.470 4.830 333 HD13 ILE 42 2HD1 ILE 42 1.270 2.039 3.218 334 H GLY 43 H GLY 43 5.865 3.107 6.091 335 HA2 GLY 43 1HA GLY 43 4.682 0.669 6.770 336 HA3 GLY 43 2HA GLY 43 6.387 1.044 6.953 337 H GLY 44 H GLY 44 5.993 3.181 8.864 338 HA2 GLY 44 1HA GLY 44 5.569 1.463 11.196 339 HA3 GLY 44 2HA GLY 44 6.442 2.987 11.182 340 H LEU 45 H LEU 45 3.468 3.101 9.503 341 HA LEU 45 HA LEU 45 2.368 4.686 11.708 342 HB2 LEU 45 1HB LEU 45 1.612 4.504 8.794 343 HB3 LEU 45 2HB LEU 45 0.736 5.463 9.973 344 HG LEU 45 HG LEU 45 3.640 5.871 9.251 345 HD11 LEU 45 1HD1 LEU 45 1.198 7.427 8.422 346 HD12 LEU 45 2HD1 LEU 45 2.183 6.405 7.376 347 HD13 LEU 45 3HD1 LEU 45 2.871 7.866 8.081 348 HD21 LEU 45 3HD2 LEU 45 3.095 6.573 11.521 349 HD22 LEU 45 1HD2 LEU 45 1.739 7.523 10.912 350 HD23 LEU 45 2HD2 LEU 45 3.391 7.968 10.483 351 H GLU 46 H GLU 46 0.165 4.470 12.320 352 HA GLU 46 HA GLU 46 -0.788 1.781 12.474 353 HB2 GLU 46 1HB GLU 46 -1.953 4.448 13.282 354 HB3 GLU 46 2HB GLU 46 -2.836 2.942 13.480 355 HG2 GLU 46 1HG GLU 46 -0.110 3.369 14.654 356 HG3 GLU 46 2HG GLU 46 -1.590 3.824 15.496 357 H ILE 47 H ILE 47 -2.152 0.763 11.134 358 HA ILE 47 HA ILE 47 -2.778 1.883 8.616 359 HB ILE 47 HB ILE 47 -2.489 -0.590 9.236 360 HG12 ILE 47 1HG1 ILE 47 -4.899 0.080 7.544 361 HG13 ILE 47 2HG1 ILE 47 -3.240 0.338 7.016 362 HG21 ILE 47 1HG2 ILE 47 -5.396 -0.247 9.962 363 HG22 ILE 47 2HG2 ILE 47 -4.086 -0.701 11.052 364 HG23 ILE 47 3HG2 ILE 47 -4.576 -1.795 9.757 365 HD11 ILE 47 3HD1 ILE 47 -2.800 -2.040 7.182 366 HD12 ILE 47 1HD1 ILE 47 -4.176 -1.725 6.124 367 HD13 ILE 47 2HD1 ILE 47 -4.440 -2.314 7.767 368 H GLN 48 H GLN 48 -4.348 2.033 11.637 369 HA GLN 48 HA GLN 48 -6.982 2.603 10.617 370 HB2 GLN 48 1HB GLN 48 -5.802 2.956 13.377 371 HB3 GLN 48 2HB GLN 48 -7.497 3.175 12.973 372 HG2 GLN 48 1HG GLN 48 -7.718 0.845 12.426 373 HG3 GLN 48 2HG GLN 48 -5.989 0.590 12.662 374 HE21 GLN 48 2HE2 GLN 48 -8.295 -0.646 14.007 375 HE22 GLN 48 1HE2 GLN 48 -8.067 -0.334 15.695 376 H ASP 49 H ASP 49 -4.090 4.339 11.013 377 HA ASP 49 HA ASP 49 -5.505 6.843 10.550 378 HB2 ASP 49 1HB ASP 49 -5.172 6.645 13.023 379 HB3 ASP 49 2HB ASP 49 -3.434 6.612 12.737 380 H ILE 50 H ILE 50 -4.592 6.464 8.462 381 HA ILE 50 HA ILE 50 -1.802 7.400 8.328 382 HB ILE 50 HB ILE 50 -3.302 5.691 6.330 383 HG12 ILE 50 1HG1 ILE 50 -0.844 5.137 8.007 384 HG13 ILE 50 2HG1 ILE 50 -2.451 4.484 8.300 385 HG21 ILE 50 1HG2 ILE 50 -1.926 7.302 5.149 386 HG22 ILE 50 2HG2 ILE 50 -1.207 5.696 5.029 387 HG23 ILE 50 3HG2 ILE 50 -0.535 6.881 6.149 388 HD11 ILE 50 3HD1 ILE 50 -1.003 2.849 7.251 389 HD12 ILE 50 1HD1 ILE 50 -0.738 3.938 5.889 390 HD13 ILE 50 2HD1 ILE 50 -2.345 3.276 6.188 391 H GLU 51 H GLU 51 -1.463 9.305 7.334 392 HA GLU 51 HA GLU 51 -3.683 10.976 6.817 393 HB2 GLU 51 1HB GLU 51 -0.884 11.546 5.867 394 HB3 GLU 51 2HB GLU 51 -2.128 12.692 6.339 395 HG2 GLU 51 1HG GLU 51 -1.913 11.603 8.672 396 HG3 GLU 51 2HG GLU 51 -0.371 10.996 8.057 397 HA PRO 52 HA PRO 52 -4.633 10.116 2.581 398 HB2 PRO 52 1HB PRO 52 -5.072 13.040 2.331 399 HB3 PRO 52 2HB PRO 52 -6.180 11.704 2.004 400 HG2 PRO 52 1HG PRO 52 -6.472 13.242 4.169 401 HG3 PRO 52 2HG PRO 52 -6.803 11.501 4.223 402 HD2 PRO 52 1HD PRO 52 -4.436 13.017 5.239 403 HD3 PRO 52 2HD PRO 52 -5.265 11.611 5.941 404 H MET 53 H MET 53 -2.706 13.016 3.298 405 HA MET 53 HA MET 53 -1.458 13.000 0.699 406 HB2 MET 53 1HB MET 53 -0.892 14.644 3.174 407 HB3 MET 53 2HB MET 53 -0.093 14.875 1.624 408 HG2 MET 53 1HG MET 53 -2.257 15.374 0.593 409 HG3 MET 53 2HG MET 53 -3.041 15.169 2.158 410 HE1 MET 53 3HE MET 53 -3.391 17.780 0.366 411 HE2 MET 53 1HE MET 53 -3.265 19.032 1.602 412 HE3 MET 53 2HE MET 53 -4.160 17.549 1.935 413 H GLN 54 H GLN 54 -1.022 11.290 3.515 414 HA GLN 54 HA GLN 54 1.844 10.929 3.309 415 HB2 GLN 54 1HB GLN 54 0.432 10.832 5.453 416 HB3 GLN 54 2HB GLN 54 -0.113 9.261 4.891 417 HG2 GLN 54 1HG GLN 54 1.655 9.006 6.495 418 HG3 GLN 54 2HG GLN 54 2.198 8.465 4.908 419 HE21 GLN 54 2HE2 GLN 54 4.339 8.719 5.673 420 HE22 GLN 54 1HE2 GLN 54 5.075 10.282 5.726 421 H LEU 55 H LEU 55 -1.103 9.016 2.793 422 HA LEU 55 HA LEU 55 0.186 6.856 1.493 423 HB2 LEU 55 1HB LEU 55 -2.141 6.853 2.474 424 HB3 LEU 55 2HB LEU 55 -2.657 7.794 1.087 425 HG LEU 55 HG LEU 55 -2.008 5.941 -0.406 426 HD11 LEU 55 1HD1 LEU 55 -1.455 3.759 0.550 427 HD12 LEU 55 2HD1 LEU 55 -1.427 4.471 2.164 428 HD13 LEU 55 3HD1 LEU 55 -0.240 4.970 0.958 429 HD21 LEU 55 3HD2 LEU 55 -3.870 5.146 1.831 430 HD22 LEU 55 1HD2 LEU 55 -3.808 4.412 0.229 431 HD23 LEU 55 2HD2 LEU 55 -4.300 6.096 0.408 432 H LEU 56 H LEU 56 -1.052 9.960 0.461 433 HA LEU 56 HA LEU 56 -0.731 9.584 -2.322 434 HB2 LEU 56 1HB LEU 56 -2.073 11.401 -1.375 435 HB3 LEU 56 2HB LEU 56 -0.644 12.108 -0.659 436 HG LEU 56 HG LEU 56 -1.684 13.111 -2.839 437 HD11 LEU 56 1HD1 LEU 56 0.321 13.941 -1.761 438 HD12 LEU 56 2HD1 LEU 56 0.495 13.940 -3.516 439 HD13 LEU 56 3HD1 LEU 56 1.279 12.688 -2.551 440 HD21 LEU 56 3HD2 LEU 56 -0.007 10.874 -3.946 441 HD22 LEU 56 1HD2 LEU 56 -0.528 12.285 -4.869 442 HD23 LEU 56 2HD2 LEU 56 -1.726 11.164 -4.217 443 H GLU 57 H GLU 57 1.485 10.484 0.266 444 HA GLU 57 HA GLU 57 3.642 11.239 -1.364 445 HB2 GLU 57 1HB GLU 57 3.661 11.679 1.033 446 HB3 GLU 57 2HB GLU 57 3.688 9.952 1.370 447 HG2 GLU 57 1HG GLU 57 5.882 9.727 0.497 448 HG3 GLU 57 2HG GLU 57 5.847 11.354 -0.180 449 H VAL 58 H VAL 58 2.513 8.083 -0.252 450 HA VAL 58 HA VAL 58 4.553 6.501 -1.367 451 HB VAL 58 HB VAL 58 1.610 5.867 -1.075 452 HG11 VAL 58 1HG1 VAL 58 2.379 3.485 -1.183 453 HG12 VAL 58 2HG1 VAL 58 3.947 4.081 -1.727 454 HG13 VAL 58 3HG1 VAL 58 2.508 4.368 -2.704 455 HG21 VAL 58 3HG2 VAL 58 2.738 6.363 1.036 456 HG22 VAL 58 1HG2 VAL 58 3.974 5.158 0.662 457 HG23 VAL 58 2HG2 VAL 58 2.304 4.657 0.930 458 H ILE 59 H ILE 59 1.393 7.339 -2.792 459 HA ILE 59 HA ILE 59 1.828 6.275 -5.333 460 HB ILE 59 HB ILE 59 0.041 8.445 -4.295 461 HG12 ILE 59 1HG1 ILE 59 -1.726 6.910 -5.140 462 HG13 ILE 59 2HG1 ILE 59 -0.469 5.793 -5.653 463 HG21 ILE 59 1HG2 ILE 59 0.736 9.234 -6.502 464 HG22 ILE 59 2HG2 ILE 59 -0.963 8.770 -6.473 465 HG23 ILE 59 3HG2 ILE 59 0.228 7.695 -7.204 466 HD11 ILE 59 3HD1 ILE 59 -1.474 5.100 -3.556 467 HD12 ILE 59 1HD1 ILE 59 -1.026 6.639 -2.819 468 HD13 ILE 59 2HD1 ILE 59 0.228 5.509 -3.333 469 H ARG 60 H ARG 60 2.484 9.508 -4.077 470 HA ARG 60 HA ARG 60 3.435 10.669 -6.459 471 HB2 ARG 60 1HB ARG 60 2.707 11.790 -4.285 472 HB3 ARG 60 2HB ARG 60 4.307 11.405 -3.673 473 HG2 ARG 60 1HG ARG 60 5.291 12.714 -5.510 474 HG3 ARG 60 2HG ARG 60 3.661 13.156 -6.029 475 HD2 ARG 60 1HD ARG 60 3.293 14.048 -3.700 476 HD3 ARG 60 2HD ARG 60 5.021 13.827 -3.430 477 HE ARG 60 HE ARG 60 3.798 15.692 -5.348 478 HH11 ARG 60 1HH1 ARG 60 6.571 14.587 -3.511 479 HH12 ARG 60 2HH1 ARG 60 7.518 16.007 -3.835 480 HH21 ARG 60 1HH2 ARG 60 5.041 17.570 -5.754 481 HH22 ARG 60 2HH2 ARG 60 6.649 17.697 -5.107 482 H ARG 61 H ARG 61 5.001 8.859 -3.892 483 HA ARG 61 HA ARG 61 7.683 9.154 -4.494 484 HB2 ARG 61 1HB ARG 61 6.900 7.907 -2.564 485 HB3 ARG 61 2HB ARG 61 6.152 6.703 -3.599 486 HG2 ARG 61 1HG ARG 61 8.082 5.678 -2.837 487 HG3 ARG 61 2HG ARG 61 8.513 6.236 -4.452 488 HD2 ARG 61 1HD ARG 61 9.789 8.023 -3.604 489 HD3 ARG 61 2HD ARG 61 9.095 7.857 -1.989 490 HE ARG 61 HE ARG 61 10.611 5.586 -3.015 491 HH11 ARG 61 1HH1 ARG 61 10.606 8.465 -1.010 492 HH12 ARG 61 2HH1 ARG 61 11.906 7.912 0.006 493 HH21 ARG 61 1HH2 ARG 61 12.316 4.864 -1.694 494 HH22 ARG 61 2HH2 ARG 61 12.885 5.856 -0.383 495 H PHE 62 H PHE 62 5.297 6.955 -5.936 496 HA PHE 62 HA PHE 62 7.189 5.918 -7.848 497 HB2 PHE 62 1HB PHE 62 4.189 5.635 -7.651 498 HB3 PHE 62 2HB PHE 62 5.184 4.811 -8.848 499 HD1 PHE 62 HD2 PHE 62 6.993 3.247 -8.024 500 HD2 PHE 62 HD1 PHE 62 3.900 4.742 -5.516 501 HE1 PHE 62 HE2 PHE 62 7.415 1.427 -6.424 502 HE2 PHE 62 HE1 PHE 62 4.317 2.926 -3.911 503 HZ PHE 62 HZ PHE 62 6.075 1.262 -4.365 504 H GLU 63 H GLU 63 4.557 8.298 -7.929 505 HA GLU 63 HA GLU 63 4.523 8.751 -10.696 506 HB2 GLU 63 1HB GLU 63 3.856 10.555 -8.384 507 HB3 GLU 63 2HB GLU 63 3.669 11.060 -10.056 508 HG2 GLU 63 1HG GLU 63 2.203 9.025 -10.357 509 HG3 GLU 63 2HG GLU 63 2.213 8.888 -8.597 510 H ASP 64 H ASP 64 6.567 10.077 -8.177 511 HA ASP 64 HA ASP 64 7.734 12.182 -9.602 512 HB2 ASP 64 1HB ASP 64 7.984 11.959 -7.194 513 HB3 ASP 64 2HB ASP 64 8.880 10.458 -7.396 514 H ARG 65 H ARG 65 8.314 8.754 -9.704 515 HA ARG 65 HA ARG 65 10.690 9.168 -11.364 516 HB2 ARG 65 1HB ARG 65 9.603 6.594 -10.214 517 HB3 ARG 65 2HB ARG 65 11.132 6.790 -11.062 518 HG2 ARG 65 1HG ARG 65 11.775 8.436 -9.255 519 HG3 ARG 65 2HG ARG 65 10.357 7.873 -8.372 520 HD2 ARG 65 1HD ARG 65 12.706 6.208 -9.263 521 HD3 ARG 65 2HD ARG 65 12.334 6.704 -7.614 522 HE ARG 65 HE ARG 65 10.751 4.783 -9.206 523 HH11 ARG 65 1HH1 ARG 65 11.744 6.120 -6.127 524 HH12 ARG 65 2HH1 ARG 65 11.042 4.830 -5.194 525 HH21 ARG 65 1HH2 ARG 65 9.850 3.081 -7.988 526 HH22 ARG 65 2HH2 ARG 65 9.980 3.090 -6.248 527 H GLY 66 H GLY 66 7.407 8.825 -11.751 528 HA2 GLY 66 1HA GLY 66 6.421 9.004 -13.878 529 HA3 GLY 66 2HA GLY 66 7.864 8.301 -14.588 530 H ALA 67 H ALA 67 7.088 6.420 -11.996 531 HA ALA 67 HA ALA 67 6.061 4.328 -13.681 532 HB1 ALA 67 3HB ALA 67 6.455 4.366 -10.689 533 HB2 ALA 67 1HB ALA 67 7.644 3.830 -11.878 534 HB3 ALA 67 2HB ALA 67 6.133 2.941 -11.678 535 H MET 68 H MET 68 4.075 5.105 -14.394 536 HA MET 68 HA MET 68 2.141 6.222 -12.627 537 HB2 MET 68 1HB MET 68 2.330 6.724 -15.087 538 HB3 MET 68 2HB MET 68 1.664 5.130 -15.403 539 HG2 MET 68 1HG MET 68 -0.220 6.398 -15.545 540 HG3 MET 68 2HG MET 68 -0.265 5.954 -13.842 541 HE1 MET 68 3HE MET 68 0.560 7.624 -11.870 542 HE2 MET 68 1HE MET 68 1.090 9.282 -12.163 543 HE3 MET 68 2HE MET 68 2.091 7.929 -12.692 544 H GLU 69 H GLU 69 2.483 3.072 -14.228 545 HA GLU 69 HA GLU 69 0.087 1.936 -13.302 546 HB2 GLU 69 1HB GLU 69 2.725 0.570 -13.851 547 HB3 GLU 69 2HB GLU 69 1.184 -0.248 -13.655 548 HG2 GLU 69 1HG GLU 69 0.342 0.938 -15.644 549 HG3 GLU 69 2HG GLU 69 1.946 1.648 -15.858 550 H ARG 70 H ARG 70 3.336 1.967 -11.921 551 HA ARG 70 HA ARG 70 2.599 0.260 -9.756 552 HB2 ARG 70 1HB ARG 70 5.095 1.755 -10.483 553 HB3 ARG 70 2HB ARG 70 4.946 0.940 -8.927 554 HG2 ARG 70 1HG ARG 70 4.621 -1.173 -9.972 555 HG3 ARG 70 2HG ARG 70 4.472 -0.429 -11.561 556 HD2 ARG 70 1HD ARG 70 6.775 0.093 -11.636 557 HD3 ARG 70 2HD ARG 70 6.981 -0.235 -9.914 558 HE ARG 70 HE ARG 70 7.296 -2.434 -10.423 559 HH11 ARG 70 1HH1 ARG 70 5.675 -0.926 -13.147 560 HH12 ARG 70 2HH1 ARG 70 5.585 -2.397 -14.065 561 HH21 ARG 70 1HH2 ARG 70 7.201 -4.359 -11.650 562 HH22 ARG 70 2HH2 ARG 70 6.480 -4.334 -13.236 563 H ALA 71 H ALA 71 2.528 3.673 -10.253 564 HA ALA 71 HA ALA 71 2.278 4.408 -7.514 565 HB1 ALA 71 3HB ALA 71 2.740 6.081 -9.224 566 HB2 ALA 71 1HB ALA 71 1.241 6.468 -8.377 567 HB3 ALA 71 2HB ALA 71 1.184 5.751 -9.988 568 H ASN 72 H ASN 72 0.004 3.505 -10.056 569 HA ASN 72 HA ASN 72 -2.332 3.683 -8.434 570 HB2 ASN 72 1HB ASN 72 -2.368 3.784 -10.918 571 HB3 ASN 72 2HB ASN 72 -1.892 2.091 -10.972 572 HD21 ASN 72 2HD2 ASN 72 -3.733 1.458 -12.051 573 HD22 ASN 72 1HD2 ASN 72 -5.288 1.417 -11.289 574 H LYS 73 H LYS 73 -0.144 1.065 -9.360 575 HA LYS 73 HA LYS 73 -1.441 -1.086 -8.162 576 HB2 LYS 73 1HB LYS 73 1.494 -0.506 -8.535 577 HB3 LYS 73 2HB LYS 73 0.913 -2.018 -7.851 578 HG2 LYS 73 1HG LYS 73 -0.267 -2.529 -9.897 579 HG3 LYS 73 2HG LYS 73 0.200 -0.971 -10.585 580 HD2 LYS 73 1HD LYS 73 2.542 -1.602 -10.484 581 HD3 LYS 73 2HD LYS 73 2.118 -3.132 -9.717 582 HE2 LYS 73 1HE LYS 73 1.224 -2.278 -12.466 583 HE3 LYS 73 2HE LYS 73 2.600 -3.330 -12.142 584 HZ1 LYS 73 3HZ LYS 73 0.715 -4.660 -12.688 585 HZ2 LYS 73 1HZ LYS 73 -0.251 -3.894 -11.528 586 HZ3 LYS 73 2HZ LYS 73 1.041 -4.877 -11.038 587 H ALA 74 H ALA 74 0.778 1.296 -6.765 588 HA ALA 74 HA ALA 74 0.957 0.188 -4.203 589 HB1 ALA 74 3HB ALA 74 1.627 2.405 -3.448 590 HB2 ALA 74 1HB ALA 74 1.047 3.110 -4.959 591 HB3 ALA 74 2HB ALA 74 2.416 1.995 -4.971 592 H ARG 75 H ARG 75 -1.298 2.666 -5.458 593 HA ARG 75 HA ARG 75 -2.844 2.948 -3.150 594 HB2 ARG 75 1HB ARG 75 -3.034 4.399 -5.158 595 HB3 ARG 75 2HB ARG 75 -3.831 3.081 -6.008 596 HG2 ARG 75 1HG ARG 75 -5.620 3.122 -4.287 597 HG3 ARG 75 2HG ARG 75 -4.845 4.538 -3.575 598 HD2 ARG 75 1HD ARG 75 -5.106 5.700 -5.764 599 HD3 ARG 75 2HD ARG 75 -6.021 4.307 -6.343 600 HE ARG 75 HE ARG 75 -6.919 5.744 -3.945 601 HH11 ARG 75 1HH1 ARG 75 -7.463 4.826 -7.287 602 HH12 ARG 75 2HH1 ARG 75 -9.154 5.226 -7.240 603 HH21 ARG 75 1HH2 ARG 75 -9.125 6.316 -3.919 604 HH22 ARG 75 2HH2 ARG 75 -10.099 6.088 -5.344 605 H ARG 76 H ARG 76 -3.253 0.701 -5.869 606 HA ARG 76 HA ARG 76 -5.635 -0.480 -4.924 607 HB2 ARG 76 1HB ARG 76 -3.563 -1.329 -6.925 608 HB3 ARG 76 2HB ARG 76 -4.915 -2.377 -6.518 609 HG2 ARG 76 1HG ARG 76 -6.479 -0.632 -7.208 610 HG3 ARG 76 2HG ARG 76 -5.122 0.419 -7.616 611 HD2 ARG 76 1HD ARG 76 -4.468 -0.938 -9.413 612 HD3 ARG 76 2HD ARG 76 -5.437 -2.300 -8.849 613 HE ARG 76 HE ARG 76 -7.305 -0.418 -9.309 614 HH11 ARG 76 1HH1 ARG 76 -4.649 -1.561 -11.306 615 HH12 ARG 76 2HH1 ARG 76 -5.528 -1.348 -12.793 616 HH21 ARG 76 1HH2 ARG 76 -8.421 -0.108 -11.237 617 HH22 ARG 76 2HH2 ARG 76 -7.658 -0.464 -12.760 618 H ARG 77 H ARG 77 -2.239 -1.506 -4.599 619 HA ARG 77 HA ARG 77 -2.954 -3.932 -3.272 620 HB2 ARG 77 1HB ARG 77 -0.311 -2.531 -3.616 621 HB3 ARG 77 2HB ARG 77 -0.481 -4.055 -2.751 622 HG2 ARG 77 1HG ARG 77 -1.158 -3.548 -5.643 623 HG3 ARG 77 2HG ARG 77 0.216 -4.469 -5.022 624 HD2 ARG 77 1HD ARG 77 -1.251 -6.131 -4.091 625 HD3 ARG 77 2HD ARG 77 -2.670 -5.174 -4.509 626 HE ARG 77 HE ARG 77 -1.373 -5.604 -6.888 627 HH11 ARG 77 1HH1 ARG 77 -2.788 -7.618 -4.384 628 HH12 ARG 77 2HH1 ARG 77 -3.144 -8.926 -5.468 629 HH21 ARG 77 1HH2 ARG 77 -1.853 -7.308 -8.306 630 HH22 ARG 77 2HH2 ARG 77 -2.596 -8.758 -7.703 631 H CYS 78 H CYS 78 -1.828 -0.752 -2.134 632 HA CYS 78 HA CYS 78 -1.719 -1.453 0.595 633 HB2 CYS 78 1HB CYS 78 -2.354 1.219 -0.678 634 HB3 CYS 78 2HB CYS 78 -2.032 0.983 1.037 635 HG CYS 78 HG CYS 78 0.120 0.898 -1.576 636 H GLY 79 H GLY 79 -4.344 -0.277 -1.462 637 HA2 GLY 79 1HA GLY 79 -6.342 -0.130 0.519 638 HA3 GLY 79 2HA GLY 79 -6.623 -0.347 -1.202 639 H GLU 80 H GLU 80 -5.003 -2.840 -1.215 640 HA GLU 80 HA GLU 80 -7.083 -4.667 -0.475 641 HB2 GLU 80 1HB GLU 80 -5.551 -4.970 -2.451 642 HB3 GLU 80 2HB GLU 80 -4.253 -5.324 -1.320 643 HG2 GLU 80 1HG GLU 80 -5.383 -7.284 -0.539 644 HG3 GLU 80 2HG GLU 80 -6.817 -6.890 -1.485 645 H VAL 81 H VAL 81 -3.984 -3.663 0.838 646 HA VAL 81 HA VAL 81 -3.890 -5.490 3.001 647 HB VAL 81 HB VAL 81 -2.737 -2.693 2.874 648 HG11 VAL 81 1HG1 VAL 81 -2.836 -3.564 5.150 649 HG12 VAL 81 2HG1 VAL 81 -1.170 -3.489 4.578 650 HG13 VAL 81 3HG1 VAL 81 -2.014 -5.037 4.633 651 HG21 VAL 81 3HG2 VAL 81 -1.931 -4.039 1.026 652 HG22 VAL 81 1HG2 VAL 81 -1.507 -5.345 2.133 653 HG23 VAL 81 2HG2 VAL 81 -0.646 -3.808 2.211 654 H PHE 82 H PHE 82 -5.200 -2.198 2.669 655 HA PHE 82 HA PHE 82 -6.225 -1.919 5.258 656 HB2 PHE 82 1HB PHE 82 -7.147 -0.794 2.615 657 HB3 PHE 82 2HB PHE 82 -7.955 -0.403 4.127 658 HD1 PHE 82 HD2 PHE 82 -6.476 0.585 5.999 659 HD2 PHE 82 HD1 PHE 82 -5.355 0.479 1.899 660 HE1 PHE 82 HE2 PHE 82 -4.866 2.404 6.396 661 HE2 PHE 82 HE1 PHE 82 -3.747 2.298 2.285 662 HZ PHE 82 HZ PHE 82 -3.501 3.263 4.537 663 H ARG 83 H ARG 83 -7.682 -3.347 2.351 664 HA ARG 83 HA ARG 83 -10.164 -4.035 3.423 665 HB2 ARG 83 1HB ARG 83 -9.671 -4.247 1.033 666 HB3 ARG 83 2HB ARG 83 -8.521 -5.538 1.368 667 HG2 ARG 83 1HG ARG 83 -10.470 -6.807 2.388 668 HG3 ARG 83 2HG ARG 83 -11.512 -5.590 1.652 669 HD2 ARG 83 1HD ARG 83 -10.664 -6.157 -0.550 670 HD3 ARG 83 2HD ARG 83 -9.542 -7.318 0.160 671 HE ARG 83 HE ARG 83 -12.485 -7.593 0.226 672 HH11 ARG 83 1HH1 ARG 83 -9.277 -8.995 0.105 673 HH12 ARG 83 2HH1 ARG 83 -9.857 -10.633 0.010 674 HH21 ARG 83 1HH2 ARG 83 -13.248 -9.748 0.078 675 HH22 ARG 83 2HH2 ARG 83 -12.100 -11.052 -0.027 676 H TYR 84 H TYR 84 -7.132 -5.886 3.347 677 HA TYR 84 HA TYR 84 -8.055 -8.160 4.698 678 HB2 TYR 84 1HB TYR 84 -5.896 -8.066 3.498 679 HB3 TYR 84 2HB TYR 84 -5.267 -6.972 4.724 680 HD1 TYR 84 HD1 TYR 84 -6.494 -10.418 4.154 681 HD2 TYR 84 HD2 TYR 84 -4.365 -7.803 6.745 682 HE1 TYR 84 HE1 TYR 84 -5.751 -12.349 5.482 683 HE2 TYR 84 HE2 TYR 84 -3.613 -9.725 8.080 684 HH TYR 84 HH TYR 84 -4.337 -12.031 8.551 685 H ALA 85 H ALA 85 -6.771 -5.100 5.880 686 HA ALA 85 HA ALA 85 -6.671 -5.765 8.613 687 HB1 ALA 85 3HB ALA 85 -7.130 -3.064 7.362 688 HB2 ALA 85 1HB ALA 85 -5.560 -3.804 7.668 689 HB3 ALA 85 2HB ALA 85 -6.608 -3.371 9.018 690 H ILE 86 H ILE 86 -9.282 -4.565 6.567 691 HA ILE 86 HA ILE 86 -11.163 -4.193 8.670 692 HB ILE 86 HB ILE 86 -11.720 -4.840 5.765 693 HG12 ILE 86 1HG1 ILE 86 -11.572 -2.138 7.122 694 HG13 ILE 86 2HG1 ILE 86 -10.309 -2.811 6.097 695 HG21 ILE 86 1HG2 ILE 86 -13.655 -5.205 7.179 696 HG22 ILE 86 2HG2 ILE 86 -13.892 -3.766 6.188 697 HG23 ILE 86 3HG2 ILE 86 -13.464 -3.603 7.891 698 HD11 ILE 86 3HD1 ILE 86 -13.115 -2.156 5.234 699 HD12 ILE 86 1HD1 ILE 86 -11.848 -2.826 4.207 700 HD13 ILE 86 2HD1 ILE 86 -11.670 -1.208 4.886 701 H VAL 87 H VAL 87 -10.477 -6.866 6.448 702 HA VAL 87 HA VAL 87 -12.486 -8.620 7.342 703 HB VAL 87 HB VAL 87 -9.810 -9.302 6.105 704 HG11 VAL 87 1HG1 VAL 87 -10.811 -11.242 7.191 705 HG12 VAL 87 2HG1 VAL 87 -10.864 -11.407 5.437 706 HG13 VAL 87 3HG1 VAL 87 -12.321 -10.960 6.324 707 HG21 VAL 87 3HG2 VAL 87 -12.517 -8.913 4.832 708 HG22 VAL 87 1HG2 VAL 87 -11.041 -9.405 4.000 709 HG23 VAL 87 2HG2 VAL 87 -11.154 -7.799 4.721 710 H THR 88 H THR 88 -9.187 -8.071 8.496 711 HA THR 88 HA THR 88 -9.349 -10.276 10.353 712 HB THR 88 HB THR 88 -7.193 -9.502 9.270 713 HG1 THR 88 HG1 THR 88 -6.276 -10.533 10.867 714 HG21 THR 88 3HG2 THR 88 -5.969 -7.688 10.377 715 HG22 THR 88 1HG2 THR 88 -7.392 -7.328 11.355 716 HG23 THR 88 2HG2 THR 88 -7.442 -7.098 9.607 717 H GLY 89 H GLY 89 -10.649 -7.229 10.304 718 HA2 GLY 89 1HA GLY 89 -12.026 -6.294 11.912 719 HA3 GLY 89 2HA GLY 89 -11.467 -7.505 13.054 720 H ARG 90 H ARG 90 -9.542 -5.165 11.221 721 HA ARG 90 HA ARG 90 -8.854 -3.874 13.777 722 HB2 ARG 90 1HB ARG 90 -7.099 -4.446 11.395 723 HB3 ARG 90 2HB ARG 90 -6.650 -3.306 12.657 724 HG2 ARG 90 1HG ARG 90 -6.773 -5.109 14.317 725 HG3 ARG 90 2HG ARG 90 -7.186 -6.247 13.033 726 HD2 ARG 90 1HD ARG 90 -5.050 -5.807 11.943 727 HD3 ARG 90 2HD ARG 90 -4.642 -4.634 13.195 728 HE ARG 90 HE ARG 90 -4.937 -6.718 14.722 729 HH11 ARG 90 1HH1 ARG 90 -3.552 -6.694 11.512 730 HH12 ARG 90 2HH1 ARG 90 -2.481 -8.033 11.805 731 HH21 ARG 90 1HH2 ARG 90 -3.510 -8.461 15.145 732 HH22 ARG 90 2HH2 ARG 90 -2.465 -9.033 13.877 733 H ALA 91 H ALA 91 -9.352 -3.402 10.316 734 HA ALA 91 HA ALA 91 -9.516 -0.504 10.789 735 HB1 ALA 91 3HB ALA 91 -7.894 -1.169 9.089 736 HB2 ALA 91 1HB ALA 91 -9.210 -0.230 8.383 737 HB3 ALA 91 2HB ALA 91 -9.171 -1.983 8.182 738 H LYS 92 H LYS 92 -11.166 0.641 9.420 739 HA LYS 92 HA LYS 92 -13.677 -0.888 9.468 740 HB2 LYS 92 1HB LYS 92 -13.178 2.075 9.759 741 HB3 LYS 92 2HB LYS 92 -14.778 1.363 9.605 742 HG2 LYS 92 1HG LYS 92 -14.299 0.029 11.654 743 HG3 LYS 92 2HG LYS 92 -12.803 0.948 11.832 744 HD2 LYS 92 1HD LYS 92 -14.022 3.003 12.051 745 HD3 LYS 92 2HD LYS 92 -15.544 2.193 11.674 746 HE2 LYS 92 1HE LYS 92 -13.821 1.792 14.115 747 HE3 LYS 92 2HE LYS 92 -15.408 2.558 14.048 748 HZ1 LYS 92 3HZ LYS 92 -14.725 -0.298 13.746 749 HZ2 LYS 92 1HZ LYS 92 -16.185 0.314 13.133 750 HZ3 LYS 92 2HZ LYS 92 -15.846 0.424 14.792 751 H TYR 93 H TYR 93 -11.898 1.558 7.620 752 HA TYR 93 HA TYR 93 -13.149 0.590 5.179 753 HB2 TYR 93 1HB TYR 93 -13.769 2.836 4.425 754 HB3 TYR 93 2HB TYR 93 -14.611 2.440 5.918 755 HD1 TYR 93 HD1 TYR 93 -13.979 3.557 8.031 756 HD2 TYR 93 HD2 TYR 93 -12.173 4.626 4.329 757 HE1 TYR 93 HE1 TYR 93 -13.153 5.642 9.041 758 HE2 TYR 93 HE2 TYR 93 -11.339 6.711 5.330 759 HH TYR 93 HH TYR 93 -11.876 8.205 7.185 760 H ASN 94 H ASN 94 -12.081 1.595 3.239 761 HA ASN 94 HA ASN 94 -9.217 1.858 3.761 762 HB2 ASN 94 1HB ASN 94 -10.384 1.802 0.997 763 HB3 ASN 94 2HB ASN 94 -8.832 1.198 1.558 764 HD21 ASN 94 2HD2 ASN 94 -12.089 0.474 0.908 765 HD22 ASN 94 1HD2 ASN 94 -12.051 -1.191 1.385 766 HA PRO 95 HA PRO 95 -9.667 6.251 3.031 767 HB2 PRO 95 1HB PRO 95 -7.063 6.930 3.155 768 HB3 PRO 95 2HB PRO 95 -7.986 6.491 4.597 769 HG2 PRO 95 1HG PRO 95 -6.079 4.841 2.991 770 HG3 PRO 95 2HG PRO 95 -6.253 4.956 4.752 771 HD2 PRO 95 1HD PRO 95 -7.303 2.918 3.254 772 HD3 PRO 95 2HD PRO 95 -7.991 3.456 4.799 773 H ALA 96 H ALA 96 -9.087 4.088 0.855 774 HA ALA 96 HA ALA 96 -7.411 5.145 -1.100 775 HB1 ALA 96 3HB ALA 96 -9.880 3.469 -1.526 776 HB2 ALA 96 1HB ALA 96 -8.274 2.852 -1.136 777 HB3 ALA 96 2HB ALA 96 -8.552 3.685 -2.666 778 HA PRO 97 HA PRO 97 -11.410 7.378 -2.963 779 HB2 PRO 97 1HB PRO 97 -13.060 8.208 -0.881 780 HB3 PRO 97 2HB PRO 97 -13.409 6.891 -2.004 781 HG2 PRO 97 1HG PRO 97 -12.286 6.781 0.762 782 HG3 PRO 97 2HG PRO 97 -13.445 5.693 -0.027 783 HD2 PRO 97 1HD PRO 97 -10.890 4.988 0.276 784 HD3 PRO 97 2HD PRO 97 -11.782 4.575 -1.205 785 H ASP 98 H ASP 98 -10.371 8.111 0.358 786 HA ASP 98 HA ASP 98 -10.417 10.940 -0.018 787 HB2 ASP 98 1HB ASP 98 -10.444 9.439 2.184 788 HB3 ASP 98 2HB ASP 98 -8.706 9.715 2.094 789 H LEU 99 H LEU 99 -7.998 8.428 -0.247 790 HA LEU 99 HA LEU 99 -5.718 9.972 -0.698 791 HB2 LEU 99 1HB LEU 99 -5.753 7.515 -0.362 792 HB3 LEU 99 2HB LEU 99 -6.488 7.318 -1.937 793 HG LEU 99 HG LEU 99 -3.970 6.851 -1.673 794 HD11 LEU 99 1HD1 LEU 99 -3.482 7.676 -3.919 795 HD12 LEU 99 2HD1 LEU 99 -4.926 8.687 -3.864 796 HD13 LEU 99 3HD1 LEU 99 -5.077 6.929 -3.836 797 HD21 LEU 99 3HD2 LEU 99 -3.924 9.856 -1.809 798 HD22 LEU 99 1HD2 LEU 99 -2.525 8.794 -1.971 799 HD23 LEU 99 2HD2 LEU 99 -3.408 8.864 -0.446 800 H ALA 100 H ALA 100 -8.299 8.940 -2.862 801 HA ALA 100 HA ALA 100 -7.158 9.903 -5.258 802 HB1 ALA 100 3HB ALA 100 -8.991 8.279 -5.224 803 HB2 ALA 100 1HB ALA 100 -9.391 9.689 -6.203 804 HB3 ALA 100 2HB ALA 100 -10.074 9.517 -4.586 805 H ASP 101 H ASP 101 -9.131 11.392 -2.761 806 HA ASP 101 HA ASP 101 -9.558 13.815 -4.227 807 HB2 ASP 101 1HB ASP 101 -10.196 12.843 -1.506 808 HB3 ASP 101 2HB ASP 101 -10.051 14.588 -1.703 809 H ALA 102 H ALA 102 -7.180 12.714 -1.888 810 HA ALA 102 HA ALA 102 -5.898 15.188 -1.464 811 HB1 ALA 102 3HB ALA 102 -5.402 13.230 -0.094 812 HB2 ALA 102 1HB ALA 102 -3.929 13.873 -0.828 813 HB3 ALA 102 2HB ALA 102 -4.689 12.423 -1.491 814 H MET 103 H MET 103 -5.153 12.571 -3.735 815 HA MET 103 HA MET 103 -3.227 13.871 -5.283 816 HB2 MET 103 1HB MET 103 -3.820 11.441 -5.342 817 HB3 MET 103 2HB MET 103 -5.288 11.860 -6.211 818 HG2 MET 103 1HG MET 103 -3.682 12.957 -7.911 819 HG3 MET 103 2HG MET 103 -2.451 11.962 -7.130 820 HE1 MET 103 3HE MET 103 -3.923 8.355 -7.665 821 HE2 MET 103 1HE MET 103 -4.271 9.418 -6.301 822 HE3 MET 103 2HE MET 103 -2.631 9.305 -6.936 823 H LYS 104 H LYS 104 -6.705 13.979 -5.344 824 HA LYS 104 HA LYS 104 -7.116 15.234 -7.833 825 HB2 LYS 104 1HB LYS 104 -8.803 13.996 -6.484 826 HB3 LYS 104 2HB LYS 104 -8.809 15.319 -5.335 827 HG2 LYS 104 1HG LYS 104 -9.681 16.809 -7.082 828 HG3 LYS 104 2HG LYS 104 -9.717 15.439 -8.202 829 HD2 LYS 104 1HD LYS 104 -11.183 14.236 -6.606 830 HD3 LYS 104 2HD LYS 104 -11.218 15.678 -5.596 831 HE2 LYS 104 1HE LYS 104 -12.220 16.923 -7.483 832 HE3 LYS 104 2HE LYS 104 -12.255 15.425 -8.416 833 HZ1 LYS 104 3HZ LYS 104 -13.725 16.000 -5.899 834 HZ2 LYS 104 1HZ LYS 104 -13.646 14.463 -6.609 835 HZ3 LYS 104 2HZ LYS 104 -14.389 15.746 -7.437 836 H GLY 105 H GLY 105 -7.253 16.574 -4.549 837 HA2 GLY 105 1HA GLY 105 -7.373 19.286 -5.451 838 HA3 GLY 105 2HA GLY 105 -7.127 18.752 -3.794 839 H TYR 106 H TYR 106 -4.817 17.084 -4.884 840 HA TYR 106 HA TYR 106 -2.692 18.749 -4.239 841 HB2 TYR 106 1HB TYR 106 -2.432 16.353 -4.203 842 HB3 TYR 106 2HB TYR 106 -2.788 16.236 -5.923 843 HD1 TYR 106 HD2 TYR 106 -0.268 17.184 -3.431 844 HD2 TYR 106 HD1 TYR 106 -1.108 16.702 -7.574 845 HE1 TYR 106 HE2 TYR 106 2.137 17.379 -3.941 846 HE2 TYR 106 HE1 TYR 106 1.285 16.892 -8.095 847 HH TYR 106 HH TYR 106 3.293 17.810 -7.147 848 H ARG 107 H ARG 107 -4.323 18.257 -7.285 849 HA ARG 107 HA ARG 107 -2.197 19.369 -8.864 850 HB2 ARG 107 1HB ARG 107 -5.039 18.696 -9.631 851 HB3 ARG 107 2HB ARG 107 -3.736 19.081 -10.751 852 HG2 ARG 107 1HG ARG 107 -2.487 17.116 -9.846 853 HG3 ARG 107 2HG ARG 107 -3.932 16.695 -8.928 854 HD2 ARG 107 1HD ARG 107 -5.198 16.518 -11.019 855 HD3 ARG 107 2HD ARG 107 -3.742 16.925 -11.928 856 HE ARG 107 HE ARG 107 -4.314 14.408 -10.555 857 HH11 ARG 107 1HH1 ARG 107 -2.055 16.376 -12.380 858 HH12 ARG 107 2HH1 ARG 107 -1.021 15.033 -12.786 859 HH21 ARG 107 1HH2 ARG 107 -2.954 12.649 -11.094 860 HH22 ARG 107 2HH2 ARG 107 -1.544 12.915 -12.070 861 H LYS 108 H LYS 108 -4.006 20.884 -6.751 862 HA LYS 108 HA LYS 108 -4.479 23.292 -8.336 863 HB2 LYS 108 1HB LYS 108 -4.760 22.793 -5.363 864 HB3 LYS 108 2HB LYS 108 -5.188 24.288 -6.179 865 HG2 LYS 108 1HG LYS 108 -6.915 23.130 -7.434 866 HG3 LYS 108 2HG LYS 108 -6.470 21.607 -6.655 867 HD2 LYS 108 1HD LYS 108 -7.057 22.532 -4.480 868 HD3 LYS 108 2HD LYS 108 -7.454 24.079 -5.228 869 HE2 LYS 108 1HE LYS 108 -8.837 21.457 -5.779 870 HE3 LYS 108 2HE LYS 108 -9.453 22.739 -4.739 871 HZ1 LYS 108 3HZ LYS 108 -10.495 22.936 -6.843 872 HZ2 LYS 108 1HZ LYS 108 -9.018 22.857 -7.673 873 HZ3 LYS 108 2HZ LYS 108 -9.386 24.211 -6.725 874 H LYS 109 H LYS 109 -2.141 21.777 -6.372 875 HA LYS 109 HA LYS 109 -0.007 22.221 -5.825 876 HB2 LYS 109 1HB LYS 109 0.096 23.315 -8.087 877 HB3 LYS 109 2HB LYS 109 -0.224 24.849 -7.288 878 HG2 LYS 109 1HG LYS 109 1.817 24.744 -6.082 879 HG3 LYS 109 2HG LYS 109 2.091 23.071 -6.571 880 HD2 LYS 109 1HD LYS 109 2.208 23.863 -8.935 881 HD3 LYS 109 2HD LYS 109 2.139 25.519 -8.326 882 HE2 LYS 109 1HE LYS 109 4.190 25.201 -7.100 883 HE3 LYS 109 2HE LYS 109 4.229 23.493 -7.535 884 HZ1 LYS 109 3HZ LYS 109 4.463 25.776 -9.421 885 HZ2 LYS 109 1HZ LYS 109 4.472 24.135 -9.857 886 HZ3 LYS 109 2HZ LYS 109 5.731 24.768 -8.910 887 H ASN 110 H ASN 110 -1.988 25.177 -5.569 888 HA ASN 110 HA ASN 110 -0.900 25.527 -2.855 889 HB2 ASN 110 1HB ASN 110 -0.744 27.500 -4.379 890 HB3 ASN 110 2HB ASN 110 -2.502 27.507 -4.497 891 HD21 ASN 110 2HD2 ASN 110 -2.788 29.495 -3.582 892 HD22 ASN 110 1HD2 ASN 110 -2.468 29.823 -1.912 893 H LEU 111 H LEU 111 -2.192 25.243 -1.122 894 HA LEU 111 HA LEU 111 -4.799 24.095 -1.651 895 HB2 LEU 111 1HB LEU 111 -3.241 24.383 0.916 896 HB3 LEU 111 2HB LEU 111 -4.783 23.561 0.771 897 HG LEU 111 HG LEU 111 -2.204 22.736 -0.564 898 HD11 LEU 111 1HD1 LEU 111 -3.776 21.474 1.678 899 HD12 LEU 111 2HD1 LEU 111 -2.229 22.307 1.834 900 HD13 LEU 111 3HD1 LEU 111 -2.332 20.802 0.918 901 HD21 LEU 111 3HD2 LEU 111 -3.446 20.746 -1.269 902 HD22 LEU 111 1HD2 LEU 111 -4.119 22.217 -1.971 903 HD23 LEU 111 2HD2 LEU 111 -4.927 21.439 -0.610 904 H GLU 112 H GLU 112 -6.517 24.607 0.042 905 HA GLU 112 HA GLU 112 -7.363 27.272 -0.331 906 HB2 GLU 112 1HB GLU 112 -9.197 26.581 1.274 907 HB3 GLU 112 2HB GLU 112 -9.021 25.585 -0.165 908 HG2 GLU 112 1HG GLU 112 -7.990 23.844 1.043 909 HG3 GLU 112 2HG GLU 112 -7.753 24.868 2.458 910 H HIS 113 H HIS 113 -5.527 25.738 2.145 911 HA HIS 113 HA HIS 113 -5.636 28.194 3.751 912 HB2 HIS 113 1HB HIS 113 -5.928 25.351 4.639 913 HB3 HIS 113 2HB HIS 113 -5.171 26.515 5.718 914 HD1 HIS 113 HD1 HIS 113 -8.463 25.400 4.460 915 HD2 HIS 113 HD2 HIS 113 -6.901 28.625 6.571 916 HE1 HIS 113 HE1 HIS 113 -10.437 26.544 5.506 917 HE2 HIS 113 HE2 HIS 113 -9.484 28.565 6.661 918 H HIS 114 H HIS 114 -3.719 29.118 3.944 919 HA HIS 114 HA HIS 114 -1.307 27.711 3.251 920 HB2 HIS 114 1HB HIS 114 -1.649 30.133 2.751 921 HB3 HIS 114 2HB HIS 114 -1.601 30.464 4.479 922 HD1 HIS 114 HD1 HIS 114 0.569 31.646 4.823 923 HD2 HIS 114 HD2 HIS 114 0.958 28.299 2.378 924 HE1 HIS 114 HE1 HIS 114 3.040 31.395 4.392 925 HE2 HIS 114 HE2 HIS 114 3.240 29.426 2.826 926 H HIS 115 H HIS 115 -2.869 28.861 6.181 927 HA HIS 115 HA HIS 115 -0.935 27.329 7.777 928 HB2 HIS 115 1HB HIS 115 -3.017 29.380 8.532 929 HB3 HIS 115 2HB HIS 115 -2.232 28.358 9.730 930 HD1 HIS 115 HD1 HIS 115 0.075 29.016 10.495 931 HD2 HIS 115 HD2 HIS 115 -1.252 31.246 7.244 932 HE1 HIS 115 HE1 HIS 115 1.731 30.888 10.235 933 HE2 HIS 115 HE2 HIS 115 0.791 32.335 8.401 934 H HIS 116 H HIS 116 -1.553 25.560 8.947 935 HA HIS 116 HA HIS 116 -2.711 23.690 9.471 936 HB2 HIS 116 1HB HIS 116 -4.219 25.364 10.589 937 HB3 HIS 116 2HB HIS 116 -5.215 25.360 9.139 938 HD1 HIS 116 HD1 HIS 116 -6.602 23.187 8.668 939 HD2 HIS 116 HD2 HIS 116 -4.567 23.206 12.290 940 HE1 HIS 116 HE1 HIS 116 -7.607 21.319 10.016 941 HE2 HIS 116 HE2 HIS 116 -6.188 21.196 12.096 942 H HIS 117 H HIS 117 -2.013 22.698 7.569 943 HA HIS 117 HA HIS 117 -3.729 22.766 5.210 944 HB2 HIS 117 1HB HIS 117 -1.144 21.292 5.773 945 HB3 HIS 117 2HB HIS 117 -2.010 21.226 4.245 946 HD1 HIS 117 HD1 HIS 117 -1.421 22.977 2.566 947 HD2 HIS 117 HD2 HIS 117 -0.135 23.967 6.389 948 HE1 HIS 117 HE1 HIS 117 -0.024 25.044 2.290 949 HE2 HIS 117 HE2 HIS 117 0.859 25.540 4.599 950 H HIS 118 H HIS 118 -3.067 20.844 7.975 951 HA HIS 118 HA HIS 118 -4.683 18.632 6.905 952 HB2 HIS 118 1HB HIS 118 -2.405 17.975 7.495 953 HB3 HIS 118 2HB HIS 118 -2.603 18.652 9.105 954 HD1 HIS 118 HD1 HIS 118 -4.079 17.316 10.774 955 HD2 HIS 118 HD2 HIS 118 -3.480 15.439 7.118 956 HE1 HIS 118 HE1 HIS 118 -4.755 14.921 11.130 957 HE2 HIS 118 HE2 HIS 118 -4.629 13.880 8.838 Start of MODEL 11 1 H1 SER 1 1H SER 1 4.505 -2.643 24.532 2 H2 SER 1 2H SER 1 5.067 -1.073 24.227 3 H3 SER 1 3H SER 1 5.596 -2.360 23.264 4 HA SER 1 HA SER 1 2.878 -1.211 23.390 5 HB2 SER 1 1HB SER 1 4.841 -1.479 21.098 6 HB3 SER 1 2HB SER 1 3.270 -0.679 21.041 7 HG SER 1 HG SER 1 4.195 1.048 21.770 8 H SER 2 H SER 2 1.224 -2.393 22.579 9 HA SER 2 HA SER 2 1.851 -5.102 21.622 10 HB2 SER 2 1HB SER 2 -0.246 -4.372 23.684 11 HB3 SER 2 2HB SER 2 0.020 -5.984 23.017 12 HG SER 2 HG SER 2 2.128 -5.932 23.910 13 H ASN 3 H ASN 3 1.119 -5.242 19.646 14 HA ASN 3 HA ASN 3 -0.133 -5.048 17.778 15 HB2 ASN 3 1HB ASN 3 -2.342 -4.794 19.819 16 HB3 ASN 3 2HB ASN 3 -2.653 -4.784 18.086 17 HD21 ASN 3 2HD2 ASN 3 -3.512 -6.688 20.115 18 HD22 ASN 3 1HD2 ASN 3 -2.905 -8.228 19.611 19 H ASN 4 H ASN 4 0.942 -3.198 17.120 20 HA ASN 4 HA ASN 4 -0.122 -0.599 17.861 21 HB2 ASN 4 1HB ASN 4 2.080 -1.208 15.877 22 HB3 ASN 4 2HB ASN 4 1.735 0.339 16.639 23 HD21 ASN 4 2HD2 ASN 4 3.175 -2.776 16.997 24 HD22 ASN 4 1HD2 ASN 4 3.964 -2.470 18.506 25 H ASN 5 H ASN 5 -0.698 -2.947 15.569 26 HA ASN 5 HA ASN 5 -1.953 -3.097 13.685 27 HB2 ASN 5 1HB ASN 5 -3.451 -1.625 15.229 28 HB3 ASN 5 2HB ASN 5 -2.982 -0.315 14.151 29 HD21 ASN 5 2HD2 ASN 5 -5.164 -0.102 13.556 30 HD22 ASN 5 1HD2 ASN 5 -5.900 -1.198 12.433 31 H SER 6 H SER 6 0.707 -2.044 13.585 32 HA SER 6 HA SER 6 0.938 0.168 11.855 33 HB2 SER 6 1HB SER 6 2.928 -2.093 12.126 34 HB3 SER 6 2HB SER 6 3.253 -0.410 11.709 35 HG SER 6 HG SER 6 2.905 0.189 13.776 36 H PHE 7 H PHE 7 1.153 0.317 9.679 37 HA PHE 7 HA PHE 7 -0.258 -1.417 8.047 38 HB2 PHE 7 1HB PHE 7 0.469 1.009 7.620 39 HB3 PHE 7 2HB PHE 7 1.983 0.325 7.037 40 HD1 PHE 7 HD2 PHE 7 1.975 -1.140 5.025 41 HD2 PHE 7 HD1 PHE 7 -1.492 0.961 6.316 42 HE1 PHE 7 HE2 PHE 7 0.954 -1.466 2.812 43 HE2 PHE 7 HE1 PHE 7 -2.516 0.638 4.104 44 HZ PHE 7 HZ PHE 7 -1.291 -0.577 2.348 45 H SER 8 H SER 8 3.278 -1.167 8.478 46 HA SER 8 HA SER 8 3.995 -3.135 6.626 47 HB2 SER 8 1HB SER 8 5.430 -2.306 9.153 48 HB3 SER 8 2HB SER 8 6.146 -3.214 7.820 49 HG SER 8 HG SER 8 6.498 -1.373 6.910 50 H ALA 9 H ALA 9 2.894 -3.458 9.938 51 HA ALA 9 HA ALA 9 3.798 -6.110 10.366 52 HB1 ALA 9 3HB ALA 9 2.222 -6.159 12.227 53 HB2 ALA 9 1HB ALA 9 1.451 -4.689 11.630 54 HB3 ALA 9 2HB ALA 9 3.118 -4.640 12.207 55 H ILE 10 H ILE 10 0.651 -4.797 9.371 56 HA ILE 10 HA ILE 10 -0.487 -7.356 8.845 57 HB ILE 10 HB ILE 10 -1.347 -4.639 7.828 58 HG12 ILE 10 1HG1 ILE 10 -2.256 -6.249 10.225 59 HG13 ILE 10 2HG1 ILE 10 -1.290 -4.779 10.279 60 HG21 ILE 10 1HG2 ILE 10 -3.526 -5.680 7.455 61 HG22 ILE 10 2HG2 ILE 10 -2.878 -7.239 7.967 62 HG23 ILE 10 3HG2 ILE 10 -2.274 -6.472 6.498 63 HD11 ILE 10 3HD1 ILE 10 -3.611 -4.341 10.826 64 HD12 ILE 10 1HD1 ILE 10 -4.112 -4.994 9.266 65 HD13 ILE 10 2HD1 ILE 10 -3.144 -3.522 9.335 66 H TYR 11 H TYR 11 1.220 -4.954 6.938 67 HA TYR 11 HA TYR 11 0.901 -5.965 4.381 68 HB2 TYR 11 1HB TYR 11 2.029 -3.972 4.353 69 HB3 TYR 11 2HB TYR 11 2.980 -4.364 5.778 70 HD1 TYR 11 HD1 TYR 11 2.679 -5.145 2.136 71 HD2 TYR 11 HD2 TYR 11 5.197 -5.023 5.565 72 HE1 TYR 11 HE1 TYR 11 4.633 -5.632 0.719 73 HE2 TYR 11 HE2 TYR 11 7.150 -5.508 4.160 74 HH TYR 11 HH TYR 11 7.153 -5.245 0.846 75 H LYS 12 H LYS 12 3.264 -6.946 6.861 76 HA LYS 12 HA LYS 12 4.587 -8.825 5.211 77 HB2 LYS 12 1HB LYS 12 5.594 -7.976 7.286 78 HB3 LYS 12 2HB LYS 12 4.356 -8.806 8.226 79 HG2 LYS 12 1HG LYS 12 5.166 -10.950 7.167 80 HG3 LYS 12 2HG LYS 12 6.537 -10.024 6.555 81 HD2 LYS 12 1HD LYS 12 7.219 -9.468 8.798 82 HD3 LYS 12 2HD LYS 12 5.780 -10.246 9.465 83 HE2 LYS 12 1HE LYS 12 6.562 -12.388 8.436 84 HE3 LYS 12 2HE LYS 12 8.061 -11.567 8.001 85 HZ1 LYS 12 3HZ LYS 12 8.251 -12.814 10.080 86 HZ2 LYS 12 1HZ LYS 12 7.022 -11.874 10.768 87 HZ3 LYS 12 2HZ LYS 12 8.494 -11.155 10.328 88 H GLU 13 H GLU 13 1.957 -9.177 7.578 89 HA GLU 13 HA GLU 13 1.664 -11.967 7.353 90 HB2 GLU 13 1HB GLU 13 0.622 -10.494 9.109 91 HB3 GLU 13 2HB GLU 13 -0.537 -9.966 7.898 92 HG2 GLU 13 1HG GLU 13 -1.230 -12.341 7.628 93 HG3 GLU 13 2HG GLU 13 -0.185 -12.744 8.989 94 H TRP 14 H TRP 14 0.097 -9.297 5.669 95 HA TRP 14 HA TRP 14 -1.558 -10.711 3.932 96 HB2 TRP 14 1HB TRP 14 -1.788 -8.345 4.166 97 HB3 TRP 14 2HB TRP 14 -0.123 -8.065 3.687 98 HD1 TRP 14 HD1 TRP 14 -3.440 -9.296 2.113 99 HE1 TRP 14 HE1 TRP 14 -3.448 -8.570 -0.354 100 HE3 TRP 14 HE3 TRP 14 1.247 -7.275 1.836 101 HZ2 TRP 14 HZ2 TRP 14 -1.701 -7.311 -2.179 102 HZ3 TRP 14 HZ3 TRP 14 2.003 -6.328 -0.303 103 HH2 TRP 14 HH2 TRP 14 0.558 -6.348 -2.271 104 H TYR 15 H TYR 15 1.756 -9.556 3.441 105 HA TYR 15 HA TYR 15 2.174 -10.538 0.872 106 HB2 TYR 15 1HB TYR 15 3.757 -9.006 1.646 107 HB3 TYR 15 2HB TYR 15 3.986 -9.858 3.167 108 HD1 TYR 15 HD2 TYR 15 4.525 -10.358 -0.507 109 HD2 TYR 15 HD1 TYR 15 5.896 -11.100 3.452 110 HE1 TYR 15 HE2 TYR 15 6.533 -11.454 -1.412 111 HE2 TYR 15 HE1 TYR 15 7.906 -12.196 2.566 112 HH TYR 15 HH TYR 15 8.870 -11.931 -0.652 113 H GLU 16 H GLU 16 2.953 -12.088 3.992 114 HA GLU 16 HA GLU 16 4.100 -14.395 2.826 115 HB2 GLU 16 1HB GLU 16 4.491 -13.618 5.162 116 HB3 GLU 16 2HB GLU 16 2.863 -14.136 5.571 117 HG2 GLU 16 1HG GLU 16 3.455 -16.437 4.977 118 HG3 GLU 16 2HG GLU 16 5.095 -15.906 4.604 119 H HIS 17 H HIS 17 0.822 -13.548 3.689 120 HA HIS 17 HA HIS 17 -0.223 -16.199 3.411 121 HB2 HIS 17 1HB HIS 17 -1.355 -14.553 4.814 122 HB3 HIS 17 2HB HIS 17 -1.612 -13.510 3.421 123 HD1 HIS 17 HD1 HIS 17 -2.643 -16.959 4.661 124 HD2 HIS 17 HD2 HIS 17 -3.978 -13.912 2.161 125 HE1 HIS 17 HE1 HIS 17 -4.950 -17.641 3.929 126 HE2 HIS 17 HE2 HIS 17 -5.796 -15.711 2.546 127 H LYS 18 H LYS 18 -0.315 -13.281 1.359 128 HA LYS 18 HA LYS 18 -1.687 -14.665 -0.751 129 HB2 LYS 18 1HB LYS 18 -0.402 -11.938 -0.617 130 HB3 LYS 18 2HB LYS 18 -1.255 -12.540 -2.032 131 HG2 LYS 18 1HG LYS 18 -2.501 -12.301 0.698 132 HG3 LYS 18 2HG LYS 18 -2.602 -11.053 -0.546 133 HD2 LYS 18 1HD LYS 18 -3.399 -13.842 -1.239 134 HD3 LYS 18 2HD LYS 18 -4.497 -12.865 -0.264 135 HE2 LYS 18 1HE LYS 18 -3.332 -11.809 -2.820 136 HE3 LYS 18 2HE LYS 18 -4.768 -12.833 -2.829 137 HZ1 LYS 18 3HZ LYS 18 -5.984 -11.261 -1.630 138 HZ2 LYS 18 1HZ LYS 18 -5.131 -10.326 -2.756 139 HZ3 LYS 18 2HZ LYS 18 -4.611 -10.405 -1.147 140 H LYS 19 H LYS 19 1.501 -14.587 0.247 141 HA LYS 19 HA LYS 19 2.950 -14.813 -2.132 142 HB2 LYS 19 1HB LYS 19 4.084 -14.594 -0.020 143 HB3 LYS 19 2HB LYS 19 3.365 -16.079 0.581 144 HG2 LYS 19 1HG LYS 19 4.662 -17.378 -1.007 145 HG3 LYS 19 2HG LYS 19 5.346 -15.898 -1.681 146 HD2 LYS 19 1HD LYS 19 6.427 -15.390 0.419 147 HD3 LYS 19 2HD LYS 19 5.652 -16.775 1.189 148 HE2 LYS 19 1HE LYS 19 7.517 -17.007 -1.164 149 HE3 LYS 19 2HE LYS 19 8.054 -17.105 0.512 150 HZ1 LYS 19 3HZ LYS 19 5.978 -18.892 -0.642 151 HZ2 LYS 19 1HZ LYS 19 6.764 -19.051 0.854 152 HZ3 LYS 19 2HZ LYS 19 7.627 -19.285 -0.590 153 H GLN 20 H GLN 20 0.821 -17.036 -0.526 154 HA GLN 20 HA GLN 20 1.674 -19.383 -1.931 155 HB2 GLN 20 1HB GLN 20 -0.976 -18.865 -0.567 156 HB3 GLN 20 2HB GLN 20 -0.296 -20.432 -0.982 157 HG2 GLN 20 1HG GLN 20 1.500 -20.094 0.620 158 HG3 GLN 20 2HG GLN 20 0.858 -18.500 1.016 159 HE21 GLN 20 2HE2 GLN 20 -1.927 -19.465 0.803 160 HE22 GLN 20 1HE2 GLN 20 -2.206 -20.363 2.256 161 H VAL 21 H VAL 21 -0.268 -16.688 -2.678 162 HA VAL 21 HA VAL 21 -1.860 -18.082 -4.679 163 HB VAL 21 HB VAL 21 -1.874 -15.144 -3.969 164 HG11 VAL 21 1HG1 VAL 21 -4.066 -15.126 -5.045 165 HG12 VAL 21 2HG1 VAL 21 -3.882 -16.831 -5.457 166 HG13 VAL 21 3HG1 VAL 21 -2.803 -15.630 -6.169 167 HG21 VAL 21 3HG2 VAL 21 -2.446 -16.483 -2.021 168 HG22 VAL 21 1HG2 VAL 21 -3.652 -17.361 -2.961 169 HG23 VAL 21 2HG2 VAL 21 -3.867 -15.642 -2.637 170 H TRP 22 H TRP 22 0.664 -15.636 -4.446 171 HA TRP 22 HA TRP 22 0.783 -15.388 -7.349 172 HB2 TRP 22 1HB TRP 22 2.437 -14.013 -5.222 173 HB3 TRP 22 2HB TRP 22 2.452 -13.640 -6.939 174 HD1 TRP 22 HD1 TRP 22 -0.599 -13.392 -7.566 175 HE1 TRP 22 HE1 TRP 22 -1.983 -11.471 -6.553 176 HE3 TRP 22 HE3 TRP 22 2.395 -12.251 -3.587 177 HZ2 TRP 22 HZ2 TRP 22 -1.817 -9.700 -4.358 178 HZ3 TRP 22 HZ3 TRP 22 1.716 -10.428 -2.083 179 HH2 TRP 22 HH2 TRP 22 -0.349 -9.184 -2.458 180 H SER 23 H SER 23 3.185 -15.186 -8.149 181 HA SER 23 HA SER 23 4.561 -17.655 -7.488 182 HB2 SER 23 1HB SER 23 5.397 -15.500 -9.447 183 HB3 SER 23 2HB SER 23 5.931 -17.183 -9.410 184 HG SER 23 HG SER 23 3.447 -17.509 -9.618 185 H VAL 24 H VAL 24 6.758 -17.696 -6.703 186 HA VAL 24 HA VAL 24 7.045 -15.968 -4.508 187 HB VAL 24 HB VAL 24 7.952 -18.244 -4.508 188 HG11 VAL 24 1HG1 VAL 24 8.813 -18.379 -6.762 189 HG12 VAL 24 2HG1 VAL 24 10.097 -18.729 -5.604 190 HG13 VAL 24 3HG1 VAL 24 10.028 -17.153 -6.396 191 HG21 VAL 24 3HG2 VAL 24 10.026 -16.111 -4.018 192 HG22 VAL 24 1HG2 VAL 24 10.070 -17.752 -3.371 193 HG23 VAL 24 2HG2 VAL 24 8.785 -16.646 -2.883 194 H GLY 25 H GLY 25 8.747 -15.966 -7.639 195 HA2 GLY 25 1HA GLY 25 10.558 -13.890 -6.975 196 HA3 GLY 25 2HA GLY 25 10.120 -14.393 -8.603 197 H TYR 26 H TYR 26 7.453 -13.883 -8.673 198 HA TYR 26 HA TYR 26 7.267 -11.139 -9.163 199 HB2 TYR 26 1HB TYR 26 5.737 -12.759 -10.175 200 HB3 TYR 26 2HB TYR 26 5.059 -13.136 -8.595 201 HD1 TYR 26 HD2 TYR 26 5.314 -10.525 -11.196 202 HD2 TYR 26 HD1 TYR 26 3.365 -11.772 -7.625 203 HE1 TYR 26 HE2 TYR 26 3.636 -8.756 -11.502 204 HE2 TYR 26 HE1 TYR 26 1.679 -10.007 -7.922 205 HH TYR 26 HH TYR 26 1.245 -8.341 -10.795 206 H ALA 27 H ALA 27 6.169 -13.050 -6.382 207 HA ALA 27 HA ALA 27 5.023 -10.926 -4.938 208 HB1 ALA 27 3HB ALA 27 5.136 -12.408 -3.006 209 HB2 ALA 27 1HB ALA 27 6.238 -13.474 -3.878 210 HB3 ALA 27 2HB ALA 27 4.576 -13.276 -4.435 211 H THR 28 H THR 28 8.318 -12.169 -5.073 212 HA THR 28 HA THR 28 9.352 -10.689 -2.912 213 HB THR 28 HB THR 28 10.814 -11.642 -5.382 214 HG1 THR 28 HG1 THR 28 9.830 -13.366 -4.259 215 HG21 THR 28 3HG2 THR 28 12.082 -9.965 -4.125 216 HG22 THR 28 1HG2 THR 28 12.812 -11.563 -3.962 217 HG23 THR 28 2HG2 THR 28 11.849 -10.894 -2.643 218 H GLU 29 H GLU 29 9.314 -9.971 -6.417 219 HA GLU 29 HA GLU 29 10.583 -7.450 -6.101 220 HB2 GLU 29 1HB GLU 29 8.890 -8.491 -8.375 221 HB3 GLU 29 2HB GLU 29 9.830 -7.005 -8.424 222 HG2 GLU 29 1HG GLU 29 11.827 -8.529 -7.825 223 HG3 GLU 29 2HG GLU 29 10.778 -9.836 -8.374 224 H LEU 30 H LEU 30 7.245 -8.496 -6.071 225 HA LEU 30 HA LEU 30 6.007 -5.965 -6.071 226 HB2 LEU 30 1HB LEU 30 4.731 -8.012 -6.350 227 HB3 LEU 30 2HB LEU 30 5.198 -8.558 -4.752 228 HG LEU 30 HG LEU 30 3.989 -6.414 -3.925 229 HD11 LEU 30 1HD1 LEU 30 2.100 -5.759 -5.350 230 HD12 LEU 30 2HD1 LEU 30 2.755 -6.756 -6.648 231 HD13 LEU 30 3HD1 LEU 30 3.660 -5.356 -6.069 232 HD21 LEU 30 3HD2 LEU 30 1.875 -7.625 -3.815 233 HD22 LEU 30 1HD2 LEU 30 3.246 -8.677 -3.457 234 HD23 LEU 30 2HD2 LEU 30 2.461 -8.756 -5.036 235 H ALA 31 H ALA 31 6.989 -8.076 -3.393 236 HA ALA 31 HA ALA 31 6.266 -6.333 -1.314 237 HB1 ALA 31 3HB ALA 31 8.369 -8.492 -1.288 238 HB2 ALA 31 1HB ALA 31 6.645 -8.739 -1.012 239 HB3 ALA 31 2HB ALA 31 7.592 -7.772 0.123 240 H LYS 32 H LYS 32 9.362 -6.827 -2.984 241 HA LYS 32 HA LYS 32 10.901 -5.116 -1.387 242 HB2 LYS 32 1HB LYS 32 11.951 -6.654 -2.936 243 HB3 LYS 32 2HB LYS 32 11.220 -5.830 -4.307 244 HG2 LYS 32 1HG LYS 32 12.542 -3.872 -3.913 245 HG3 LYS 32 2HG LYS 32 13.167 -4.545 -2.408 246 HD2 LYS 32 1HD LYS 32 14.300 -6.304 -3.644 247 HD3 LYS 32 2HD LYS 32 13.629 -5.695 -5.159 248 HE2 LYS 32 1HE LYS 32 15.976 -4.992 -4.764 249 HE3 LYS 32 2HE LYS 32 14.856 -3.642 -4.943 250 HZ1 LYS 32 3HZ LYS 32 15.734 -4.711 -2.315 251 HZ2 LYS 32 1HZ LYS 32 14.862 -3.281 -2.604 252 HZ3 LYS 32 2HZ LYS 32 16.486 -3.405 -3.097 253 H MET 33 H MET 33 9.023 -4.446 -4.322 254 HA MET 33 HA MET 33 9.705 -1.719 -4.543 255 HB2 MET 33 1HB MET 33 8.623 -2.948 -6.361 256 HB3 MET 33 2HB MET 33 7.178 -3.156 -5.382 257 HG2 MET 33 1HG MET 33 6.939 -0.681 -5.333 258 HG3 MET 33 2HG MET 33 8.280 -0.582 -6.473 259 HE1 MET 33 3HE MET 33 5.409 -3.282 -6.303 260 HE2 MET 33 1HE MET 33 4.227 -2.581 -7.408 261 HE3 MET 33 2HE MET 33 4.594 -1.775 -5.882 262 H PHE 34 H PHE 34 7.035 -3.374 -2.938 263 HA PHE 34 HA PHE 34 5.673 -1.125 -1.945 264 HB2 PHE 34 1HB PHE 34 5.074 -3.687 -1.997 265 HB3 PHE 34 2HB PHE 34 5.843 -3.712 -0.415 266 HD1 PHE 34 HD2 PHE 34 4.931 -2.105 1.363 267 HD2 PHE 34 HD1 PHE 34 2.870 -3.056 -2.239 268 HE1 PHE 34 HE2 PHE 34 2.817 -1.363 2.378 269 HE2 PHE 34 HE1 PHE 34 0.754 -2.317 -1.229 270 HZ PHE 34 HZ PHE 34 0.725 -1.471 1.081 271 H ASP 35 H ASP 35 8.489 -2.880 -0.801 272 HA ASP 35 HA ASP 35 8.530 -1.616 1.784 273 HB2 ASP 35 1HB ASP 35 9.408 -3.859 1.573 274 HB3 ASP 35 2HB ASP 35 10.558 -3.338 0.348 275 H ASP 36 H ASP 36 10.720 -1.443 -1.057 276 HA ASP 36 HA ASP 36 12.332 0.555 0.150 277 HB2 ASP 36 1HB ASP 36 12.161 -0.501 -2.658 278 HB3 ASP 36 2HB ASP 36 13.231 0.833 -2.243 279 H ASP 37 H ASP 37 9.332 0.807 -1.420 280 HA ASP 37 HA ASP 37 9.804 3.665 -1.930 281 HB2 ASP 37 1HB ASP 37 7.885 1.699 -3.140 282 HB3 ASP 37 2HB ASP 37 7.584 3.431 -3.240 283 H ILE 38 H ILE 38 7.450 1.431 -0.472 284 HA ILE 38 HA ILE 38 5.824 3.686 0.383 285 HB ILE 38 HB ILE 38 5.279 0.740 0.741 286 HG12 ILE 38 1HG1 ILE 38 4.553 2.620 -1.511 287 HG13 ILE 38 2HG1 ILE 38 5.559 1.185 -1.613 288 HG21 ILE 38 1HG2 ILE 38 2.946 1.443 0.962 289 HG22 ILE 38 2HG2 ILE 38 3.444 3.129 0.821 290 HG23 ILE 38 3HG2 ILE 38 3.965 2.171 2.206 291 HD11 ILE 38 3HD1 ILE 38 2.611 1.236 -1.022 292 HD12 ILE 38 1HD1 ILE 38 3.619 -0.208 -1.117 293 HD13 ILE 38 2HD1 ILE 38 3.366 0.786 -2.552 294 H LEU 39 H LEU 39 7.956 1.289 1.784 295 HA LEU 39 HA LEU 39 7.042 1.333 4.425 296 HB2 LEU 39 1HB LEU 39 9.260 0.247 3.018 297 HB3 LEU 39 2HB LEU 39 9.861 1.028 4.467 298 HG LEU 39 HG LEU 39 9.363 -1.396 4.743 299 HD11 LEU 39 1HD1 LEU 39 8.189 -1.147 6.872 300 HD12 LEU 39 2HD1 LEU 39 7.731 0.497 6.426 301 HD13 LEU 39 3HD1 LEU 39 9.431 0.089 6.662 302 HD21 LEU 39 3HD2 LEU 39 6.506 -0.488 4.389 303 HD22 LEU 39 1HD2 LEU 39 7.019 -2.089 4.921 304 HD23 LEU 39 2HD2 LEU 39 7.409 -1.535 3.293 305 HA PRO 40 HA PRO 40 10.202 4.890 5.375 306 HB2 PRO 40 1HB PRO 40 10.575 6.219 2.776 307 HB3 PRO 40 2HB PRO 40 11.779 5.753 3.981 308 HG2 PRO 40 1HG PRO 40 11.567 4.463 1.642 309 HG3 PRO 40 2HG PRO 40 11.985 3.611 3.142 310 HD2 PRO 40 1HD PRO 40 9.344 3.776 1.726 311 HD3 PRO 40 2HD PRO 40 10.138 2.367 2.463 312 H ILE 41 H ILE 41 7.335 4.804 3.787 313 HA ILE 41 HA ILE 41 6.796 7.664 4.218 314 HB ILE 41 HB ILE 41 5.150 5.748 2.568 315 HG12 ILE 41 1HG1 ILE 41 7.381 6.030 1.564 316 HG13 ILE 41 2HG1 ILE 41 6.139 6.805 0.589 317 HG21 ILE 41 1HG2 ILE 41 5.138 8.758 2.755 318 HG22 ILE 41 2HG2 ILE 41 3.932 7.669 3.442 319 HG23 ILE 41 3HG2 ILE 41 4.121 7.782 1.691 320 HD11 ILE 41 3HD1 ILE 41 8.014 8.194 2.488 321 HD12 ILE 41 1HD1 ILE 41 6.777 8.973 1.500 322 HD13 ILE 41 2HD1 ILE 41 8.144 8.165 0.728 323 H ILE 42 H ILE 42 5.078 4.517 4.419 324 HA ILE 42 HA ILE 42 3.606 5.631 6.729 325 HB ILE 42 HB ILE 42 1.616 4.395 6.030 326 HG12 ILE 42 1HG1 ILE 42 2.992 3.843 3.406 327 HG13 ILE 42 2HG1 ILE 42 3.000 2.675 4.725 328 HG21 ILE 42 1HG2 ILE 42 0.996 5.779 4.109 329 HG22 ILE 42 2HG2 ILE 42 2.690 6.213 3.880 330 HG23 ILE 42 3HG2 ILE 42 1.841 6.711 5.343 331 HD11 ILE 42 3HD1 ILE 42 0.569 2.631 4.698 332 HD12 ILE 42 1HD1 ILE 42 1.250 2.180 3.134 333 HD13 ILE 42 2HD1 ILE 42 0.563 3.790 3.367 334 H GLY 43 H GLY 43 5.949 3.638 6.350 335 HA2 GLY 43 1HA GLY 43 5.181 1.023 6.795 336 HA3 GLY 43 2HA GLY 43 6.683 1.719 7.375 337 H GLY 44 H GLY 44 5.946 3.430 9.310 338 HA2 GLY 44 1HA GLY 44 5.029 1.538 11.336 339 HA3 GLY 44 2HA GLY 44 5.907 3.028 11.631 340 H LEU 45 H LEU 45 3.205 3.244 9.480 341 HA LEU 45 HA LEU 45 1.789 4.768 11.537 342 HB2 LEU 45 1HB LEU 45 1.411 4.524 8.554 343 HB3 LEU 45 2HB LEU 45 0.291 5.390 9.588 344 HG LEU 45 HG LEU 45 3.216 6.077 9.288 345 HD11 LEU 45 1HD1 LEU 45 2.426 7.999 7.994 346 HD12 LEU 45 2HD1 LEU 45 0.779 7.374 8.076 347 HD13 LEU 45 3HD1 LEU 45 2.024 6.473 7.206 348 HD21 LEU 45 3HD2 LEU 45 2.561 8.158 10.423 349 HD22 LEU 45 1HD2 LEU 45 2.301 6.739 11.439 350 HD23 LEU 45 2HD2 LEU 45 0.933 7.513 10.639 351 H GLU 46 H GLU 46 -0.404 4.368 12.064 352 HA GLU 46 HA GLU 46 -1.139 1.617 12.121 353 HB2 GLU 46 1HB GLU 46 -2.715 4.109 12.779 354 HB3 GLU 46 2HB GLU 46 -3.321 2.477 13.021 355 HG2 GLU 46 1HG GLU 46 -1.420 2.052 14.546 356 HG3 GLU 46 2HG GLU 46 -0.956 3.746 14.372 357 H ILE 47 H ILE 47 -2.392 0.477 10.789 358 HA ILE 47 HA ILE 47 -2.844 1.431 8.177 359 HB ILE 47 HB ILE 47 -2.495 -0.972 8.945 360 HG12 ILE 47 1HG1 ILE 47 -4.833 -0.549 7.076 361 HG13 ILE 47 2HG1 ILE 47 -3.163 -0.206 6.630 362 HG21 ILE 47 1HG2 ILE 47 -4.542 -2.258 9.416 363 HG22 ILE 47 2HG2 ILE 47 -5.454 -0.749 9.483 364 HG23 ILE 47 3HG2 ILE 47 -4.185 -1.067 10.668 365 HD11 ILE 47 3HD1 ILE 47 -4.200 -2.890 7.497 366 HD12 ILE 47 1HD1 ILE 47 -2.572 -2.520 6.930 367 HD13 ILE 47 2HD1 ILE 47 -3.942 -2.385 5.826 368 H GLN 48 H GLN 48 -4.667 1.769 11.013 369 HA GLN 48 HA GLN 48 -7.173 2.230 9.574 370 HB2 GLN 48 1HB GLN 48 -7.228 0.772 11.555 371 HB3 GLN 48 2HB GLN 48 -6.585 2.077 12.537 372 HG2 GLN 48 1HG GLN 48 -8.598 3.366 12.212 373 HG3 GLN 48 2HG GLN 48 -9.237 2.140 11.116 374 HE21 GLN 48 2HE2 GLN 48 -10.273 3.185 13.674 375 HE22 GLN 48 1HE2 GLN 48 -10.456 1.800 14.703 376 H ASP 49 H ASP 49 -4.495 3.916 10.669 377 HA ASP 49 HA ASP 49 -5.939 6.451 10.507 378 HB2 ASP 49 1HB ASP 49 -5.759 5.951 12.916 379 HB3 ASP 49 2HB ASP 49 -4.012 5.789 12.747 380 H ILE 50 H ILE 50 -4.967 6.591 8.455 381 HA ILE 50 HA ILE 50 -2.125 7.339 8.581 382 HB ILE 50 HB ILE 50 -3.556 5.954 6.304 383 HG12 ILE 50 1HG1 ILE 50 -1.182 5.135 7.990 384 HG13 ILE 50 2HG1 ILE 50 -2.811 4.487 8.137 385 HG21 ILE 50 1HG2 ILE 50 -2.077 7.689 5.434 386 HG22 ILE 50 2HG2 ILE 50 -1.440 6.084 5.082 387 HG23 ILE 50 3HG2 ILE 50 -0.741 7.042 6.388 388 HD11 ILE 50 3HD1 ILE 50 -1.004 4.215 5.750 389 HD12 ILE 50 1HD1 ILE 50 -2.639 3.569 5.881 390 HD13 ILE 50 2HD1 ILE 50 -1.364 2.963 6.939 391 H GLU 51 H GLU 51 -1.691 9.340 7.965 392 HA GLU 51 HA GLU 51 -3.730 11.157 7.253 393 HB2 GLU 51 1HB GLU 51 -0.730 11.462 7.015 394 HB3 GLU 51 2HB GLU 51 -1.900 12.771 6.932 395 HG2 GLU 51 1HG GLU 51 -1.319 11.028 9.314 396 HG3 GLU 51 2HG GLU 51 -0.870 12.720 9.107 397 HA PRO 52 HA PRO 52 -4.152 10.483 2.888 398 HB2 PRO 52 1HB PRO 52 -4.579 13.427 2.848 399 HB3 PRO 52 2HB PRO 52 -5.592 12.133 2.200 400 HG2 PRO 52 1HG PRO 52 -6.262 13.416 4.445 401 HG3 PRO 52 2HG PRO 52 -6.560 11.680 4.249 402 HD2 PRO 52 1HD PRO 52 -4.464 13.076 5.838 403 HD3 PRO 52 2HD PRO 52 -5.318 11.559 6.177 404 H MET 53 H MET 53 -2.239 13.125 4.188 405 HA MET 53 HA MET 53 -0.779 13.832 1.908 406 HB2 MET 53 1HB MET 53 0.166 13.840 4.782 407 HB3 MET 53 2HB MET 53 0.872 14.759 3.459 408 HG2 MET 53 1HG MET 53 -1.123 16.089 3.259 409 HG3 MET 53 2HG MET 53 -1.939 15.105 4.475 410 HE1 MET 53 3HE MET 53 1.779 16.459 4.408 411 HE2 MET 53 1HE MET 53 1.597 17.946 5.336 412 HE3 MET 53 2HE MET 53 0.815 17.789 3.764 413 H GLN 54 H GLN 54 -0.210 11.366 4.365 414 HA GLN 54 HA GLN 54 2.335 10.589 3.340 415 HB2 GLN 54 1HB GLN 54 0.526 9.685 5.500 416 HB3 GLN 54 2HB GLN 54 1.632 8.480 4.858 417 HG2 GLN 54 1HG GLN 54 2.585 9.562 6.793 418 HG3 GLN 54 2HG GLN 54 3.519 9.944 5.351 419 HE21 GLN 54 2HE2 GLN 54 4.402 11.768 6.253 420 HE22 GLN 54 1HE2 GLN 54 3.490 13.209 6.541 421 H LEU 55 H LEU 55 -0.947 9.239 3.084 422 HA LEU 55 HA LEU 55 -0.153 6.934 1.648 423 HB2 LEU 55 1HB LEU 55 -2.363 7.283 2.803 424 HB3 LEU 55 2HB LEU 55 -2.825 8.325 1.472 425 HG LEU 55 HG LEU 55 -2.675 6.461 -0.088 426 HD11 LEU 55 1HD1 LEU 55 -2.253 4.188 0.707 427 HD12 LEU 55 2HD1 LEU 55 -1.919 4.813 2.322 428 HD13 LEU 55 3HD1 LEU 55 -0.859 5.233 0.978 429 HD21 LEU 55 3HD2 LEU 55 -4.538 5.122 0.757 430 HD22 LEU 55 1HD2 LEU 55 -4.791 6.841 1.062 431 HD23 LEU 55 2HD2 LEU 55 -4.280 5.777 2.373 432 H LEU 56 H LEU 56 -1.119 10.180 0.657 433 HA LEU 56 HA LEU 56 -0.981 9.684 -2.136 434 HB2 LEU 56 1HB LEU 56 -2.045 11.682 -0.904 435 HB3 LEU 56 2HB LEU 56 -0.421 12.345 -0.852 436 HG LEU 56 HG LEU 56 -0.592 11.793 -3.475 437 HD11 LEU 56 1HD1 LEU 56 -2.790 12.408 -4.294 438 HD12 LEU 56 2HD1 LEU 56 -3.395 12.426 -2.637 439 HD13 LEU 56 3HD1 LEU 56 -2.825 10.918 -3.352 440 HD21 LEU 56 3HD2 LEU 56 -1.623 14.261 -2.099 441 HD22 LEU 56 1HD2 LEU 56 -1.162 14.157 -3.798 442 HD23 LEU 56 2HD2 LEU 56 0.052 13.924 -2.542 443 H GLU 57 H GLU 57 1.334 10.603 0.324 444 HA GLU 57 HA GLU 57 3.502 11.287 -1.323 445 HB2 GLU 57 1HB GLU 57 3.286 11.641 1.174 446 HB3 GLU 57 2HB GLU 57 3.664 9.939 1.375 447 HG2 GLU 57 1HG GLU 57 5.656 11.147 1.751 448 HG3 GLU 57 2HG GLU 57 5.820 10.366 0.180 449 H VAL 58 H VAL 58 2.220 8.207 -0.260 450 HA VAL 58 HA VAL 58 4.305 6.544 -1.176 451 HB VAL 58 HB VAL 58 1.344 6.034 -0.859 452 HG11 VAL 58 1HG1 VAL 58 2.112 4.514 -2.559 453 HG12 VAL 58 2HG1 VAL 58 1.921 3.620 -1.050 454 HG13 VAL 58 3HG1 VAL 58 3.528 4.092 -1.600 455 HG21 VAL 58 3HG2 VAL 58 2.039 4.762 1.095 456 HG22 VAL 58 1HG2 VAL 58 2.617 6.425 1.197 457 HG23 VAL 58 2HG2 VAL 58 3.730 5.130 0.750 458 H ILE 59 H ILE 59 1.209 7.406 -2.755 459 HA ILE 59 HA ILE 59 1.862 6.291 -5.255 460 HB ILE 59 HB ILE 59 -0.080 8.409 -4.414 461 HG12 ILE 59 1HG1 ILE 59 -1.699 6.779 -5.420 462 HG13 ILE 59 2HG1 ILE 59 -0.345 5.693 -5.707 463 HG21 ILE 59 1HG2 ILE 59 -0.909 8.613 -6.709 464 HG22 ILE 59 2HG2 ILE 59 0.444 7.635 -7.277 465 HG23 ILE 59 3HG2 ILE 59 0.741 9.216 -6.553 466 HD11 ILE 59 3HD1 ILE 59 -1.573 5.068 -3.716 467 HD12 ILE 59 1HD1 ILE 59 -1.297 6.666 -3.023 468 HD13 ILE 59 2HD1 ILE 59 0.063 5.579 -3.304 469 H ARG 60 H ARG 60 2.466 9.469 -3.883 470 HA ARG 60 HA ARG 60 3.560 10.694 -6.175 471 HB2 ARG 60 1HB ARG 60 2.775 11.727 -3.935 472 HB3 ARG 60 2HB ARG 60 4.393 11.350 -3.362 473 HG2 ARG 60 1HG ARG 60 4.377 13.613 -4.072 474 HG3 ARG 60 2HG ARG 60 5.294 12.686 -5.262 475 HD2 ARG 60 1HD ARG 60 3.305 12.591 -6.698 476 HD3 ARG 60 2HD ARG 60 2.419 13.555 -5.516 477 HE ARG 60 HE ARG 60 4.329 15.232 -5.969 478 HH11 ARG 60 1HH1 ARG 60 2.693 13.186 -8.288 479 HH12 ARG 60 2HH1 ARG 60 3.115 14.187 -9.655 480 HH21 ARG 60 1HH2 ARG 60 4.876 16.564 -7.753 481 HH22 ARG 60 2HH2 ARG 60 4.334 16.113 -9.343 482 H ARG 61 H ARG 61 4.875 8.538 -3.782 483 HA ARG 61 HA ARG 61 7.629 8.872 -4.289 484 HB2 ARG 61 1HB ARG 61 6.847 7.660 -2.345 485 HB3 ARG 61 2HB ARG 61 6.025 6.484 -3.355 486 HG2 ARG 61 1HG ARG 61 7.958 5.428 -2.548 487 HG3 ARG 61 2HG ARG 61 8.289 5.826 -4.233 488 HD2 ARG 61 1HD ARG 61 9.072 7.872 -2.271 489 HD3 ARG 61 2HD ARG 61 9.963 6.354 -2.177 490 HE ARG 61 HE ARG 61 9.734 7.827 -4.715 491 HH11 ARG 61 1HH1 ARG 61 11.622 6.306 -2.214 492 HH12 ARG 61 2HH1 ARG 61 13.139 6.505 -3.031 493 HH21 ARG 61 1HH2 ARG 61 11.733 8.125 -5.825 494 HH22 ARG 61 2HH2 ARG 61 13.199 7.517 -5.105 495 H PHE 62 H PHE 62 5.152 6.805 -5.725 496 HA PHE 62 HA PHE 62 6.952 5.636 -7.624 497 HB2 PHE 62 1HB PHE 62 3.939 5.671 -7.461 498 HB3 PHE 62 2HB PHE 62 4.841 4.789 -8.692 499 HD1 PHE 62 HD2 PHE 62 6.132 2.828 -8.125 500 HD2 PHE 62 HD1 PHE 62 3.922 4.931 -5.164 501 HE1 PHE 62 HE2 PHE 62 6.381 0.924 -6.594 502 HE2 PHE 62 HE1 PHE 62 4.171 3.030 -3.622 503 HZ PHE 62 HZ PHE 62 5.403 1.022 -4.338 504 H GLU 63 H GLU 63 4.773 8.407 -7.636 505 HA GLU 63 HA GLU 63 5.033 8.988 -10.403 506 HB2 GLU 63 1HB GLU 63 4.460 10.840 -8.083 507 HB3 GLU 63 2HB GLU 63 4.328 11.291 -9.776 508 HG2 GLU 63 1HG GLU 63 2.655 9.397 -9.995 509 HG3 GLU 63 2HG GLU 63 2.649 9.346 -8.231 510 H ASP 64 H ASP 64 6.959 9.675 -7.588 511 HA ASP 64 HA ASP 64 8.834 11.457 -8.647 512 HB2 ASP 64 1HB ASP 64 8.836 10.963 -6.293 513 HB3 ASP 64 2HB ASP 64 9.091 9.249 -6.594 514 H ARG 65 H ARG 65 8.725 7.932 -8.659 515 HA ARG 65 HA ARG 65 11.081 7.553 -10.194 516 HB2 ARG 65 1HB ARG 65 8.700 5.734 -9.779 517 HB3 ARG 65 2HB ARG 65 10.238 5.245 -10.477 518 HG2 ARG 65 1HG ARG 65 11.374 5.707 -8.397 519 HG3 ARG 65 2HG ARG 65 9.882 6.327 -7.690 520 HD2 ARG 65 1HD ARG 65 10.315 4.058 -6.936 521 HD3 ARG 65 2HD ARG 65 8.856 4.122 -7.923 522 HE ARG 65 HE ARG 65 10.747 3.452 -9.726 523 HH11 ARG 65 1HH1 ARG 65 9.998 2.179 -6.543 524 HH12 ARG 65 2HH1 ARG 65 10.460 0.559 -6.952 525 HH21 ARG 65 1HH2 ARG 65 11.368 1.330 -10.258 526 HH22 ARG 65 2HH2 ARG 65 11.244 0.063 -9.077 527 H GLY 66 H GLY 66 7.736 8.141 -10.956 528 HA2 GLY 66 1HA GLY 66 7.098 9.151 -13.021 529 HA3 GLY 66 2HA GLY 66 8.472 8.371 -13.792 530 H ALA 67 H ALA 67 7.150 6.139 -11.808 531 HA ALA 67 HA ALA 67 6.012 4.715 -14.048 532 HB1 ALA 67 3HB ALA 67 5.893 2.819 -12.538 533 HB2 ALA 67 1HB ALA 67 6.300 3.856 -11.171 534 HB3 ALA 67 2HB ALA 67 7.486 3.570 -12.446 535 H MET 68 H MET 68 4.099 5.681 -14.566 536 HA MET 68 HA MET 68 2.131 6.495 -12.695 537 HB2 MET 68 1HB MET 68 1.877 5.802 -15.627 538 HB3 MET 68 2HB MET 68 0.617 6.568 -14.672 539 HG2 MET 68 1HG MET 68 3.341 7.780 -15.015 540 HG3 MET 68 2HG MET 68 2.028 8.060 -16.155 541 HE1 MET 68 3HE MET 68 2.143 9.538 -11.777 542 HE2 MET 68 1HE MET 68 3.524 8.865 -12.641 543 HE3 MET 68 2HE MET 68 2.180 7.822 -12.180 544 H GLU 69 H GLU 69 2.699 3.542 -14.491 545 HA GLU 69 HA GLU 69 0.302 2.205 -13.913 546 HB2 GLU 69 1HB GLU 69 3.055 1.014 -14.299 547 HB3 GLU 69 2HB GLU 69 1.527 0.157 -14.448 548 HG2 GLU 69 1HG GLU 69 0.928 1.484 -16.373 549 HG3 GLU 69 2HG GLU 69 2.397 2.447 -16.196 550 H ARG 70 H ARG 70 3.410 2.270 -12.224 551 HA ARG 70 HA ARG 70 2.572 0.406 -10.230 552 HB2 ARG 70 1HB ARG 70 4.976 2.232 -10.333 553 HB3 ARG 70 2HB ARG 70 4.716 0.987 -9.117 554 HG2 ARG 70 1HG ARG 70 4.663 -0.700 -10.944 555 HG3 ARG 70 2HG ARG 70 5.100 0.583 -12.074 556 HD2 ARG 70 1HD ARG 70 7.158 0.988 -10.814 557 HD3 ARG 70 2HD ARG 70 6.720 -0.294 -9.685 558 HE ARG 70 HE ARG 70 7.238 -0.772 -12.561 559 HH11 ARG 70 1HH1 ARG 70 7.535 -1.668 -9.189 560 HH12 ARG 70 2HH1 ARG 70 8.424 -3.125 -9.513 561 HH21 ARG 70 1HH2 ARG 70 8.396 -2.701 -12.998 562 HH22 ARG 70 2HH2 ARG 70 8.905 -3.711 -11.684 563 H ALA 71 H ALA 71 2.516 3.879 -10.540 564 HA ALA 71 HA ALA 71 2.086 4.500 -7.816 565 HB1 ALA 71 3HB ALA 71 1.133 5.991 -10.263 566 HB2 ALA 71 1HB ALA 71 2.700 6.194 -9.478 567 HB3 ALA 71 2HB ALA 71 1.222 6.635 -8.624 568 H ASN 72 H ASN 72 -0.148 4.021 -10.517 569 HA ASN 72 HA ASN 72 -2.544 4.221 -9.049 570 HB2 ASN 72 1HB ASN 72 -2.235 4.306 -11.581 571 HB3 ASN 72 2HB ASN 72 -2.100 2.555 -11.541 572 HD21 ASN 72 2HD2 ASN 72 -4.028 4.227 -12.895 573 HD22 ASN 72 1HD2 ASN 72 -5.591 3.757 -12.299 574 H LYS 73 H LYS 73 -0.470 1.498 -9.889 575 HA LYS 73 HA LYS 73 -2.130 -0.527 -8.825 576 HB2 LYS 73 1HB LYS 73 -0.364 -0.973 -10.464 577 HB3 LYS 73 2HB LYS 73 0.857 -0.522 -9.283 578 HG2 LYS 73 1HG LYS 73 0.401 -2.422 -7.950 579 HG3 LYS 73 2HG LYS 73 -1.069 -2.788 -8.859 580 HD2 LYS 73 1HD LYS 73 0.261 -3.258 -10.844 581 HD3 LYS 73 2HD LYS 73 1.737 -2.857 -9.964 582 HE2 LYS 73 1HE LYS 73 1.495 -4.733 -8.534 583 HE3 LYS 73 2HE LYS 73 -0.153 -5.028 -9.089 584 HZ1 LYS 73 3HZ LYS 73 2.249 -5.240 -10.821 585 HZ2 LYS 73 1HZ LYS 73 0.662 -5.678 -11.217 586 HZ3 LYS 73 2HZ LYS 73 1.512 -6.561 -10.048 587 H ALA 74 H ALA 74 0.442 1.453 -7.422 588 HA ALA 74 HA ALA 74 0.764 0.108 -4.999 589 HB1 ALA 74 3HB ALA 74 1.669 2.144 -4.108 590 HB2 ALA 74 1HB ALA 74 0.881 3.104 -5.366 591 HB3 ALA 74 2HB ALA 74 2.188 1.994 -5.787 592 H ARG 75 H ARG 75 -1.517 2.668 -5.907 593 HA ARG 75 HA ARG 75 -2.821 2.922 -3.449 594 HB2 ARG 75 1HB ARG 75 -3.181 4.470 -5.322 595 HB3 ARG 75 2HB ARG 75 -4.001 3.198 -6.220 596 HG2 ARG 75 1HG ARG 75 -5.654 3.090 -4.321 597 HG3 ARG 75 2HG ARG 75 -4.909 4.565 -3.705 598 HD2 ARG 75 1HD ARG 75 -5.449 5.718 -5.780 599 HD3 ARG 75 2HD ARG 75 -6.156 4.238 -6.429 600 HE ARG 75 HE ARG 75 -7.243 5.806 -4.187 601 HH11 ARG 75 1HH1 ARG 75 -7.636 3.478 -6.773 602 HH12 ARG 75 2HH1 ARG 75 -9.362 3.352 -6.575 603 HH21 ARG 75 1HH2 ARG 75 -9.509 5.649 -3.915 604 HH22 ARG 75 2HH2 ARG 75 -10.434 4.605 -4.955 605 H ARG 76 H ARG 76 -3.541 0.783 -6.187 606 HA ARG 76 HA ARG 76 -5.832 -0.398 -5.040 607 HB2 ARG 76 1HB ARG 76 -3.994 -1.200 -7.272 608 HB3 ARG 76 2HB ARG 76 -5.285 -2.270 -6.741 609 HG2 ARG 76 1HG ARG 76 -6.929 -0.533 -7.216 610 HG3 ARG 76 2HG ARG 76 -5.635 0.548 -7.740 611 HD2 ARG 76 1HD ARG 76 -5.114 -0.836 -9.597 612 HD3 ARG 76 2HD ARG 76 -6.126 -2.146 -8.988 613 HE ARG 76 HE ARG 76 -8.054 -0.610 -9.392 614 HH11 ARG 76 1HH1 ARG 76 -5.065 -0.217 -11.176 615 HH12 ARG 76 2HH1 ARG 76 -5.830 0.519 -12.544 616 HH21 ARG 76 1HH2 ARG 76 -9.060 0.350 -11.196 617 HH22 ARG 76 2HH2 ARG 76 -8.105 0.838 -12.566 618 H ARG 77 H ARG 77 -2.408 -1.212 -4.833 619 HA ARG 77 HA ARG 77 -2.981 -3.732 -3.561 620 HB2 ARG 77 1HB ARG 77 -0.381 -2.271 -4.011 621 HB3 ARG 77 2HB ARG 77 -0.497 -3.846 -3.228 622 HG2 ARG 77 1HG ARG 77 -1.265 -3.150 -6.053 623 HG3 ARG 77 2HG ARG 77 0.042 -4.212 -5.521 624 HD2 ARG 77 1HD ARG 77 -1.381 -5.927 -4.987 625 HD3 ARG 77 2HD ARG 77 -2.725 -4.843 -4.635 626 HE ARG 77 HE ARG 77 -1.830 -5.571 -7.357 627 HH11 ARG 77 1HH1 ARG 77 -4.343 -4.689 -5.072 628 HH12 ARG 77 2HH1 ARG 77 -5.623 -4.765 -6.246 629 HH21 ARG 77 1HH2 ARG 77 -3.515 -5.656 -8.911 630 HH22 ARG 77 2HH2 ARG 77 -5.154 -5.330 -8.422 631 H CYS 78 H CYS 78 -2.096 -0.487 -2.497 632 HA CYS 78 HA CYS 78 -1.886 -1.138 0.250 633 HB2 CYS 78 1HB CYS 78 -2.818 1.435 -1.050 634 HB3 CYS 78 2HB CYS 78 -2.414 1.254 0.654 635 HG CYS 78 HG CYS 78 -0.286 1.096 -2.012 636 H GLY 79 H GLY 79 -4.598 -0.229 -1.832 637 HA2 GLY 79 1HA GLY 79 -6.654 -0.330 0.066 638 HA3 GLY 79 2HA GLY 79 -6.841 -0.646 -1.652 639 H GLU 80 H GLU 80 -5.156 -2.895 -1.839 640 HA GLU 80 HA GLU 80 -6.796 -5.021 -1.036 641 HB2 GLU 80 1HB GLU 80 -5.310 -5.310 -2.883 642 HB3 GLU 80 2HB GLU 80 -3.911 -4.882 -1.912 643 HG2 GLU 80 1HG GLU 80 -3.791 -7.193 -2.220 644 HG3 GLU 80 2HG GLU 80 -4.353 -6.961 -0.569 645 H VAL 81 H VAL 81 -3.911 -3.592 0.454 646 HA VAL 81 HA VAL 81 -3.735 -5.457 2.587 647 HB VAL 81 HB VAL 81 -2.758 -2.593 2.560 648 HG11 VAL 81 1HG1 VAL 81 -1.182 -3.347 4.269 649 HG12 VAL 81 2HG1 VAL 81 -1.907 -4.954 4.237 650 HG13 VAL 81 3HG1 VAL 81 -2.849 -3.571 4.798 651 HG21 VAL 81 3HG2 VAL 81 -1.842 -3.833 0.678 652 HG22 VAL 81 1HG2 VAL 81 -1.337 -5.131 1.761 653 HG23 VAL 81 2HG2 VAL 81 -0.594 -3.537 1.889 654 H PHE 82 H PHE 82 -5.223 -2.223 2.329 655 HA PHE 82 HA PHE 82 -6.331 -2.093 4.897 656 HB2 PHE 82 1HB PHE 82 -7.387 -0.990 2.282 657 HB3 PHE 82 2HB PHE 82 -8.079 -0.607 3.852 658 HD1 PHE 82 HD1 PHE 82 -5.928 -0.015 5.577 659 HD2 PHE 82 HD2 PHE 82 -6.258 0.789 1.415 660 HE1 PHE 82 HE1 PHE 82 -4.359 1.864 5.817 661 HE2 PHE 82 HE2 PHE 82 -4.684 2.664 1.643 662 HZ PHE 82 HZ PHE 82 -3.732 3.203 3.849 663 H ARG 83 H ARG 83 -7.632 -3.424 1.902 664 HA ARG 83 HA ARG 83 -10.111 -4.330 2.745 665 HB2 ARG 83 1HB ARG 83 -9.418 -4.330 0.426 666 HB3 ARG 83 2HB ARG 83 -8.150 -5.495 0.763 667 HG2 ARG 83 1HG ARG 83 -9.897 -7.161 1.320 668 HG3 ARG 83 2HG ARG 83 -11.117 -5.981 0.827 669 HD2 ARG 83 1HD ARG 83 -10.186 -5.900 -1.405 670 HD3 ARG 83 2HD ARG 83 -8.878 -6.981 -0.929 671 HE ARG 83 HE ARG 83 -11.724 -7.758 -1.120 672 HH11 ARG 83 1HH1 ARG 83 -8.294 -8.507 -1.287 673 HH12 ARG 83 2HH1 ARG 83 -8.562 -10.157 -1.771 674 HH21 ARG 83 1HH2 ARG 83 -12.055 -9.919 -1.797 675 HH22 ARG 83 2HH2 ARG 83 -10.688 -10.958 -2.055 676 H TYR 84 H TYR 84 -7.024 -6.081 2.720 677 HA TYR 84 HA TYR 84 -7.877 -8.442 3.944 678 HB2 TYR 84 1HB TYR 84 -5.705 -8.151 2.811 679 HB3 TYR 84 2HB TYR 84 -5.174 -7.089 4.106 680 HD1 TYR 84 HD1 TYR 84 -4.567 -8.005 6.296 681 HD2 TYR 84 HD2 TYR 84 -5.793 -10.548 3.113 682 HE1 TYR 84 HE1 TYR 84 -3.622 -9.933 7.480 683 HE2 TYR 84 HE2 TYR 84 -4.858 -12.490 4.300 684 HH TYR 84 HH TYR 84 -3.591 -12.191 7.584 685 H ALA 85 H ALA 85 -6.650 -5.434 5.340 686 HA ALA 85 HA ALA 85 -6.566 -6.311 8.017 687 HB1 ALA 85 3HB ALA 85 -6.368 -3.969 8.599 688 HB2 ALA 85 1HB ALA 85 -6.892 -3.503 6.980 689 HB3 ALA 85 2HB ALA 85 -5.360 -4.346 7.202 690 H ILE 86 H ILE 86 -9.113 -4.678 6.145 691 HA ILE 86 HA ILE 86 -10.914 -4.324 8.281 692 HB ILE 86 HB ILE 86 -11.518 -4.760 5.347 693 HG12 ILE 86 1HG1 ILE 86 -11.301 -2.235 7.003 694 HG13 ILE 86 2HG1 ILE 86 -10.131 -2.785 5.809 695 HG21 ILE 86 1HG2 ILE 86 -13.701 -3.755 5.824 696 HG22 ILE 86 2HG2 ILE 86 -13.303 -3.708 7.541 697 HG23 ILE 86 3HG2 ILE 86 -13.473 -5.258 6.718 698 HD11 ILE 86 3HD1 ILE 86 -11.530 -1.009 4.933 699 HD12 ILE 86 1HD1 ILE 86 -12.973 -1.973 5.251 700 HD13 ILE 86 2HD1 ILE 86 -11.798 -2.514 4.051 701 H VAL 87 H VAL 87 -10.560 -6.978 5.952 702 HA VAL 87 HA VAL 87 -12.649 -8.588 6.922 703 HB VAL 87 HB VAL 87 -10.099 -9.434 5.528 704 HG11 VAL 87 1HG1 VAL 87 -11.187 -11.321 6.624 705 HG12 VAL 87 2HG1 VAL 87 -11.336 -11.436 4.871 706 HG13 VAL 87 3HG1 VAL 87 -12.711 -10.907 5.839 707 HG21 VAL 87 3HG2 VAL 87 -11.454 -9.394 3.497 708 HG22 VAL 87 1HG2 VAL 87 -11.387 -7.805 4.256 709 HG23 VAL 87 2HG2 VAL 87 -12.831 -8.801 4.424 710 H THR 88 H THR 88 -9.331 -8.194 7.959 711 HA THR 88 HA THR 88 -9.536 -10.432 9.806 712 HB THR 88 HB THR 88 -7.144 -9.828 10.368 713 HG1 THR 88 HG1 THR 88 -7.290 -8.199 8.045 714 HG21 THR 88 3HG2 THR 88 -7.703 -11.593 8.768 715 HG22 THR 88 1HG2 THR 88 -6.242 -10.730 8.284 716 HG23 THR 88 2HG2 THR 88 -7.773 -10.397 7.474 717 H GLY 89 H GLY 89 -10.752 -7.492 9.896 718 HA2 GLY 89 1HA GLY 89 -11.690 -6.315 11.630 719 HA3 GLY 89 2HA GLY 89 -11.141 -7.587 12.705 720 H ARG 90 H ARG 90 -8.888 -5.793 10.731 721 HA ARG 90 HA ARG 90 -7.900 -4.501 13.188 722 HB2 ARG 90 1HB ARG 90 -6.489 -5.609 10.795 723 HB3 ARG 90 2HB ARG 90 -5.733 -4.334 11.742 724 HG2 ARG 90 1HG ARG 90 -5.751 -5.695 13.709 725 HG3 ARG 90 2HG ARG 90 -6.706 -6.936 12.896 726 HD2 ARG 90 1HD ARG 90 -3.951 -6.082 12.022 727 HD3 ARG 90 2HD ARG 90 -4.266 -7.455 13.085 728 HE ARG 90 HE ARG 90 -5.742 -7.556 10.626 729 HH11 ARG 90 1HH1 ARG 90 -2.605 -8.223 12.044 730 HH12 ARG 90 2HH1 ARG 90 -2.293 -9.579 10.998 731 HH21 ARG 90 1HH2 ARG 90 -5.312 -9.282 9.243 732 HH22 ARG 90 2HH2 ARG 90 -3.835 -10.195 9.410 733 H ALA 91 H ALA 91 -9.313 -3.893 10.170 734 HA ALA 91 HA ALA 91 -8.576 -1.053 10.430 735 HB1 ALA 91 3HB ALA 91 -8.806 -0.801 8.022 736 HB2 ALA 91 1HB ALA 91 -9.197 -2.513 7.866 737 HB3 ALA 91 2HB ALA 91 -7.592 -2.021 8.407 738 H LYS 92 H LYS 92 -10.234 -0.039 11.281 739 HA LYS 92 HA LYS 92 -12.965 -0.862 10.708 740 HB2 LYS 92 1HB LYS 92 -12.262 -0.302 13.013 741 HB3 LYS 92 2HB LYS 92 -11.890 1.332 12.493 742 HG2 LYS 92 1HG LYS 92 -14.205 1.784 12.059 743 HG3 LYS 92 2HG LYS 92 -14.633 0.100 12.379 744 HD2 LYS 92 1HD LYS 92 -13.900 0.337 14.690 745 HD3 LYS 92 2HD LYS 92 -13.414 2.003 14.380 746 HE2 LYS 92 1HE LYS 92 -16.230 0.967 14.093 747 HE3 LYS 92 2HE LYS 92 -15.609 1.778 15.529 748 HZ1 LYS 92 3HZ LYS 92 -15.085 3.704 14.082 749 HZ2 LYS 92 1HZ LYS 92 -16.745 3.371 14.203 750 HZ3 LYS 92 2HZ LYS 92 -15.893 2.926 12.807 751 H TYR 93 H TYR 93 -10.669 1.506 9.750 752 HA TYR 93 HA TYR 93 -12.539 2.593 7.814 753 HB2 TYR 93 1HB TYR 93 -12.799 4.163 9.642 754 HB3 TYR 93 2HB TYR 93 -11.054 4.299 9.829 755 HD1 TYR 93 HD1 TYR 93 -13.732 4.879 7.280 756 HD2 TYR 93 HD2 TYR 93 -9.963 6.087 8.847 757 HE1 TYR 93 HE1 TYR 93 -13.718 6.806 5.751 758 HE2 TYR 93 HE2 TYR 93 -9.938 8.014 7.322 759 HH TYR 93 HH TYR 93 -10.906 8.789 5.312 760 H ASN 94 H ASN 94 -11.509 3.315 5.928 761 HA ASN 94 HA ASN 94 -8.581 3.280 5.965 762 HB2 ASN 94 1HB ASN 94 -8.541 2.189 3.748 763 HB3 ASN 94 2HB ASN 94 -9.236 1.159 4.989 764 HD21 ASN 94 2HD2 ASN 94 -10.322 -0.117 3.558 765 HD22 ASN 94 1HD2 ASN 94 -11.696 0.419 2.662 766 HA PRO 95 HA PRO 95 -9.112 7.081 3.743 767 HB2 PRO 95 1HB PRO 95 -6.355 7.194 3.059 768 HB3 PRO 95 2HB PRO 95 -7.142 7.944 4.446 769 HG2 PRO 95 1HG PRO 95 -5.279 5.879 4.562 770 HG3 PRO 95 2HG PRO 95 -6.383 6.345 5.866 771 HD2 PRO 95 1HD PRO 95 -6.607 4.114 3.895 772 HD3 PRO 95 2HD PRO 95 -7.099 4.170 5.602 773 H ALA 96 H ALA 96 -9.341 4.447 2.262 774 HA ALA 96 HA ALA 96 -7.831 4.502 -0.102 775 HB1 ALA 96 3HB ALA 96 -8.945 2.496 0.737 776 HB2 ALA 96 1HB ALA 96 -9.373 2.828 -0.943 777 HB3 ALA 96 2HB ALA 96 -10.513 3.206 0.350 778 HA PRO 97 HA PRO 97 -11.501 6.637 -2.356 779 HB2 PRO 97 1HB PRO 97 -13.475 7.783 -0.889 780 HB3 PRO 97 2HB PRO 97 -13.547 6.106 -1.444 781 HG2 PRO 97 1HG PRO 97 -12.789 7.181 1.246 782 HG3 PRO 97 2HG PRO 97 -13.797 5.777 0.843 783 HD2 PRO 97 1HD PRO 97 -11.195 5.562 1.591 784 HD3 PRO 97 2HD PRO 97 -11.978 4.418 0.485 785 H ASP 98 H ASP 98 -10.469 7.880 0.737 786 HA ASP 98 HA ASP 98 -10.737 10.646 0.085 787 HB2 ASP 98 1HB ASP 98 -10.765 9.748 2.407 788 HB3 ASP 98 2HB ASP 98 -9.057 9.355 2.243 789 H LEU 99 H LEU 99 -8.179 8.262 -0.138 790 HA LEU 99 HA LEU 99 -6.037 9.949 -0.803 791 HB2 LEU 99 1HB LEU 99 -5.883 7.517 -0.259 792 HB3 LEU 99 2HB LEU 99 -6.592 7.152 -1.816 793 HG LEU 99 HG LEU 99 -4.044 6.924 -1.538 794 HD11 LEU 99 1HD1 LEU 99 -5.133 8.558 -3.826 795 HD12 LEU 99 2HD1 LEU 99 -5.161 6.799 -3.702 796 HD13 LEU 99 3HD1 LEU 99 -3.620 7.650 -3.826 797 HD21 LEU 99 3HD2 LEU 99 -3.657 9.044 -0.425 798 HD22 LEU 99 1HD2 LEU 99 -4.254 9.912 -1.839 799 HD23 LEU 99 2HD2 LEU 99 -2.771 8.965 -1.949 800 H ALA 100 H ALA 100 -8.601 8.522 -2.743 801 HA ALA 100 HA ALA 100 -7.657 9.311 -5.277 802 HB1 ALA 100 3HB ALA 100 -9.943 8.893 -6.039 803 HB2 ALA 100 1HB ALA 100 -10.490 8.822 -4.364 804 HB3 ALA 100 2HB ALA 100 -9.374 7.603 -4.981 805 H ASP 101 H ASP 101 -9.752 10.857 -2.912 806 HA ASP 101 HA ASP 101 -10.431 13.115 -4.484 807 HB2 ASP 101 1HB ASP 101 -11.658 12.331 -2.437 808 HB3 ASP 101 2HB ASP 101 -10.322 12.940 -1.466 809 H ALA 102 H ALA 102 -7.831 12.408 -2.231 810 HA ALA 102 HA ALA 102 -6.703 14.984 -2.105 811 HB1 ALA 102 3HB ALA 102 -4.694 13.874 -1.288 812 HB2 ALA 102 1HB ALA 102 -5.322 12.316 -1.824 813 HB3 ALA 102 2HB ALA 102 -6.134 13.197 -0.530 814 H MET 103 H MET 103 -5.646 12.166 -4.044 815 HA MET 103 HA MET 103 -3.814 13.358 -5.689 816 HB2 MET 103 1HB MET 103 -4.409 10.935 -5.664 817 HB3 MET 103 2HB MET 103 -5.863 11.318 -6.574 818 HG2 MET 103 1HG MET 103 -4.400 12.244 -8.371 819 HG3 MET 103 2HG MET 103 -3.012 11.630 -7.474 820 HE1 MET 103 3HE MET 103 -4.323 8.889 -6.303 821 HE2 MET 103 1HE MET 103 -2.675 9.034 -6.914 822 HE3 MET 103 2HE MET 103 -3.729 7.756 -7.518 823 H LYS 104 H LYS 104 -7.319 13.324 -6.086 824 HA LYS 104 HA LYS 104 -7.531 14.539 -8.580 825 HB2 LYS 104 1HB LYS 104 -9.444 13.528 -7.522 826 HB3 LYS 104 2HB LYS 104 -9.355 14.658 -6.178 827 HG2 LYS 104 1HG LYS 104 -9.822 16.495 -7.829 828 HG3 LYS 104 2HG LYS 104 -10.154 15.234 -9.020 829 HD2 LYS 104 1HD LYS 104 -11.931 14.348 -7.643 830 HD3 LYS 104 2HD LYS 104 -11.552 15.497 -6.360 831 HE2 LYS 104 1HE LYS 104 -12.086 17.340 -7.956 832 HE3 LYS 104 2HE LYS 104 -12.624 16.119 -9.109 833 HZ1 LYS 104 3HZ LYS 104 -14.309 15.408 -7.557 834 HZ2 LYS 104 1HZ LYS 104 -14.460 17.080 -7.823 835 HZ3 LYS 104 2HZ LYS 104 -13.758 16.508 -6.390 836 H GLY 105 H GLY 105 -7.436 16.030 -5.373 837 HA2 GLY 105 1HA GLY 105 -7.569 18.689 -6.558 838 HA3 GLY 105 2HA GLY 105 -7.620 18.308 -4.844 839 H TYR 106 H TYR 106 -5.111 16.623 -6.256 840 HA TYR 106 HA TYR 106 -3.174 18.091 -4.810 841 HB2 TYR 106 1HB TYR 106 -2.970 15.671 -5.276 842 HB3 TYR 106 2HB TYR 106 -2.727 16.034 -6.982 843 HD1 TYR 106 HD1 TYR 106 -1.274 16.442 -3.610 844 HD2 TYR 106 HD2 TYR 106 -0.585 16.664 -7.800 845 HE1 TYR 106 HE1 TYR 106 1.134 16.669 -3.193 846 HE2 TYR 106 HE2 TYR 106 1.829 16.891 -7.396 847 HH TYR 106 HH TYR 106 3.271 17.790 -5.372 848 H ARG 107 H ARG 107 -4.035 17.983 -8.226 849 HA ARG 107 HA ARG 107 -1.798 19.417 -9.167 850 HB2 ARG 107 1HB ARG 107 -4.529 18.950 -10.349 851 HB3 ARG 107 2HB ARG 107 -3.257 19.816 -11.202 852 HG2 ARG 107 1HG ARG 107 -1.834 17.874 -11.154 853 HG3 ARG 107 2HG ARG 107 -3.005 17.001 -10.166 854 HD2 ARG 107 1HD ARG 107 -3.513 18.018 -12.958 855 HD3 ARG 107 2HD ARG 107 -3.064 16.361 -12.556 856 HE ARG 107 HE ARG 107 -5.591 17.677 -11.764 857 HH11 ARG 107 1HH1 ARG 107 -3.693 14.790 -12.388 858 HH12 ARG 107 2HH1 ARG 107 -5.069 13.730 -12.327 859 HH21 ARG 107 1HH2 ARG 107 -7.382 16.278 -11.652 860 HH22 ARG 107 2HH2 ARG 107 -7.172 14.568 -11.892 861 H LYS 108 H LYS 108 -4.964 20.456 -8.032 862 HA LYS 108 HA LYS 108 -5.742 22.475 -7.345 863 HB2 LYS 108 1HB LYS 108 -2.797 23.138 -7.150 864 HB3 LYS 108 2HB LYS 108 -4.099 24.076 -6.429 865 HG2 LYS 108 1HG LYS 108 -4.691 22.235 -4.996 866 HG3 LYS 108 2HG LYS 108 -3.493 21.204 -5.777 867 HD2 LYS 108 1HD LYS 108 -1.720 22.742 -4.996 868 HD3 LYS 108 2HD LYS 108 -2.951 23.675 -4.138 869 HE2 LYS 108 1HE LYS 108 -1.856 22.139 -2.614 870 HE3 LYS 108 2HE LYS 108 -3.542 21.673 -2.842 871 HZ1 LYS 108 3HZ LYS 108 -2.533 19.663 -3.095 872 HZ2 LYS 108 1HZ LYS 108 -1.099 20.321 -3.730 873 HZ3 LYS 108 2HZ LYS 108 -2.475 20.188 -4.705 874 H LYS 109 H LYS 109 -5.843 22.160 -10.029 875 HA LYS 109 HA LYS 109 -4.727 24.400 -11.412 876 HB2 LYS 109 1HB LYS 109 -5.409 22.197 -12.461 877 HB3 LYS 109 2HB LYS 109 -7.079 22.709 -12.269 878 HG2 LYS 109 1HG LYS 109 -6.744 24.563 -13.749 879 HG3 LYS 109 2HG LYS 109 -5.012 24.232 -13.839 880 HD2 LYS 109 1HD LYS 109 -5.564 22.004 -14.817 881 HD3 LYS 109 2HD LYS 109 -7.257 22.499 -14.866 882 HE2 LYS 109 1HE LYS 109 -6.143 22.812 -17.031 883 HE3 LYS 109 2HE LYS 109 -6.703 24.338 -16.348 884 HZ1 LYS 109 3HZ LYS 109 -3.921 23.379 -16.007 885 HZ2 LYS 109 1HZ LYS 109 -4.528 24.940 -15.753 886 HZ3 LYS 109 2HZ LYS 109 -4.396 24.325 -17.331 887 H ASN 110 H ASN 110 -5.303 26.230 -10.319 888 HA ASN 110 HA ASN 110 -8.019 26.642 -9.443 889 HB2 ASN 110 1HB ASN 110 -5.548 28.369 -9.225 890 HB3 ASN 110 2HB ASN 110 -7.113 28.799 -8.545 891 HD21 ASN 110 2HD2 ASN 110 -4.537 28.335 -7.246 892 HD22 ASN 110 1HD2 ASN 110 -4.818 27.083 -6.083 893 H LEU 111 H LEU 111 -9.528 27.820 -10.375 894 HA LEU 111 HA LEU 111 -8.953 29.283 -12.824 895 HB2 LEU 111 1HB LEU 111 -11.568 28.870 -11.356 896 HB3 LEU 111 2HB LEU 111 -11.387 29.569 -12.953 897 HG LEU 111 HG LEU 111 -10.756 26.711 -12.201 898 HD11 LEU 111 1HD1 LEU 111 -13.148 27.188 -12.221 899 HD12 LEU 111 2HD1 LEU 111 -12.690 26.156 -13.576 900 HD13 LEU 111 3HD1 LEU 111 -13.003 27.871 -13.841 901 HD21 LEU 111 3HD2 LEU 111 -10.684 28.096 -14.882 902 HD22 LEU 111 1HD2 LEU 111 -10.452 26.370 -14.606 903 HD23 LEU 111 2HD2 LEU 111 -9.286 27.528 -13.969 904 H GLU 112 H GLU 112 -10.912 31.329 -12.522 905 HA GLU 112 HA GLU 112 -9.513 33.104 -10.703 906 HB2 GLU 112 1HB GLU 112 -11.894 33.662 -12.484 907 HB3 GLU 112 2HB GLU 112 -10.965 34.863 -11.603 908 HG2 GLU 112 1HG GLU 112 -8.962 33.952 -12.964 909 HG3 GLU 112 2HG GLU 112 -10.208 33.291 -14.022 910 H HIS 113 H HIS 113 -10.667 34.393 -9.109 911 HA HIS 113 HA HIS 113 -12.823 32.898 -7.823 912 HB2 HIS 113 1HB HIS 113 -10.872 33.867 -6.517 913 HB3 HIS 113 2HB HIS 113 -11.527 35.463 -6.867 914 HD1 HIS 113 HD1 HIS 113 -12.543 32.245 -5.109 915 HD2 HIS 113 HD2 HIS 113 -13.422 36.314 -5.100 916 HE1 HIS 113 HE1 HIS 113 -14.102 32.606 -3.166 917 HE2 HIS 113 HE2 HIS 113 -14.499 35.092 -3.091 918 H HIS 114 H HIS 114 -12.704 34.789 -10.318 919 HA HIS 114 HA HIS 114 -14.960 36.535 -9.751 920 HB2 HIS 114 1HB HIS 114 -13.615 35.917 -12.398 921 HB3 HIS 114 2HB HIS 114 -14.762 37.215 -12.092 922 HD1 HIS 114 HD1 HIS 114 -11.472 37.034 -12.880 923 HD2 HIS 114 HD2 HIS 114 -13.404 38.712 -9.596 924 HE1 HIS 114 HE1 HIS 114 -9.885 38.764 -11.963 925 HE2 HIS 114 HE2 HIS 114 -11.154 39.886 -10.093 926 H HIS 115 H HIS 115 -16.821 36.364 -11.460 927 HA HIS 115 HA HIS 115 -17.143 33.649 -12.466 928 HB2 HIS 115 1HB HIS 115 -18.358 34.245 -10.097 929 HB3 HIS 115 2HB HIS 115 -19.629 34.638 -11.255 930 HD1 HIS 115 HD1 HIS 115 -18.959 31.993 -9.221 931 HD2 HIS 115 HD2 HIS 115 -19.343 32.218 -13.356 932 HE1 HIS 115 HE1 HIS 115 -19.482 29.655 -9.984 933 HE2 HIS 115 HE2 HIS 115 -19.464 29.783 -12.502 934 H HIS 116 H HIS 116 -17.194 36.842 -13.064 935 HA HIS 116 HA HIS 116 -19.294 36.869 -15.024 936 HB2 HIS 116 1HB HIS 116 -18.385 38.961 -14.012 937 HB3 HIS 116 2HB HIS 116 -16.853 38.659 -14.825 938 HD1 HIS 116 HD1 HIS 116 -20.325 39.868 -15.415 939 HD2 HIS 116 HD2 HIS 116 -16.861 39.148 -17.597 940 HE1 HIS 116 HE1 HIS 116 -20.695 40.950 -17.655 941 HE2 HIS 116 HE2 HIS 116 -18.687 40.286 -19.027 942 H HIS 117 H HIS 117 -15.894 36.088 -14.895 943 HA HIS 117 HA HIS 117 -15.816 35.287 -17.686 944 HB2 HIS 117 1HB HIS 117 -13.816 35.049 -15.430 945 HB3 HIS 117 2HB HIS 117 -13.542 34.367 -17.026 946 HD1 HIS 117 HD1 HIS 117 -11.810 36.618 -15.647 947 HD2 HIS 117 HD2 HIS 117 -14.736 37.200 -18.549 948 HE1 HIS 117 HE1 HIS 117 -11.209 38.775 -16.802 949 HE2 HIS 117 HE2 HIS 117 -12.891 39.016 -18.663 950 H HIS 118 H HIS 118 -15.447 33.113 -18.332 951 HA HIS 118 HA HIS 118 -15.675 30.861 -18.337 952 HB2 HIS 118 1HB HIS 118 -14.069 31.194 -16.331 953 HB3 HIS 118 2HB HIS 118 -15.475 30.853 -15.332 954 HD1 HIS 118 HD1 HIS 118 -13.108 29.265 -17.752 955 HD2 HIS 118 HD2 HIS 118 -16.256 28.174 -15.260 956 HE1 HIS 118 HE1 HIS 118 -13.076 26.751 -17.678 957 HE2 HIS 118 HE2 HIS 118 -14.845 26.128 -15.996 Start of MODEL 12 1 H1 SER 1 1H SER 1 6.277 -5.780 24.900 2 H2 SER 1 2H SER 1 7.266 -5.652 23.529 3 H3 SER 1 3H SER 1 7.291 -7.069 24.464 4 HA SER 1 HA SER 1 6.054 -7.380 22.426 5 HB2 SER 1 1HB SER 1 5.450 -8.628 24.491 6 HB3 SER 1 2HB SER 1 4.295 -7.361 24.897 7 HG SER 1 HG SER 1 3.283 -9.116 23.844 8 H SER 2 H SER 2 3.824 -7.027 21.476 9 HA SER 2 HA SER 2 2.509 -4.519 22.027 10 HB2 SER 2 1HB SER 2 3.869 -4.919 19.342 11 HB3 SER 2 2HB SER 2 2.840 -3.563 19.790 12 HG SER 2 HG SER 2 4.964 -4.022 21.489 13 H ASN 3 H ASN 3 0.567 -4.262 20.604 14 HA ASN 3 HA ASN 3 -0.563 -6.832 19.847 15 HB2 ASN 3 1HB ASN 3 -1.696 -4.022 19.739 16 HB3 ASN 3 2HB ASN 3 -2.578 -5.454 19.221 17 HD21 ASN 3 2HD2 ASN 3 -3.196 -3.550 21.326 18 HD22 ASN 3 1HD2 ASN 3 -3.311 -4.465 22.791 19 H ASN 4 H ASN 4 0.545 -3.855 18.412 20 HA ASN 4 HA ASN 4 1.587 -3.426 16.457 21 HB2 ASN 4 1HB ASN 4 2.399 -5.889 16.862 22 HB3 ASN 4 2HB ASN 4 1.329 -6.251 15.510 23 HD21 ASN 4 2HD2 ASN 4 4.149 -6.559 15.581 24 HD22 ASN 4 1HD2 ASN 4 4.811 -5.512 14.370 25 H ASN 5 H ASN 5 -0.099 -2.158 15.718 26 HA ASN 5 HA ASN 5 -1.843 -3.457 13.720 27 HB2 ASN 5 1HB ASN 5 -2.848 -2.081 15.675 28 HB3 ASN 5 2HB ASN 5 -2.253 -0.676 14.794 29 HD21 ASN 5 2HD2 ASN 5 -4.343 0.085 14.495 30 HD22 ASN 5 1HD2 ASN 5 -5.419 -0.639 13.346 31 H SER 6 H SER 6 1.011 -2.457 13.638 32 HA SER 6 HA SER 6 1.157 -0.155 12.022 33 HB2 SER 6 1HB SER 6 3.158 -2.416 12.025 34 HB3 SER 6 2HB SER 6 3.457 -0.699 11.754 35 HG SER 6 HG SER 6 3.202 -2.104 14.110 36 H PHE 7 H PHE 7 1.316 0.096 9.821 37 HA PHE 7 HA PHE 7 -0.152 -1.601 8.167 38 HB2 PHE 7 1HB PHE 7 0.412 0.824 7.748 39 HB3 PHE 7 2HB PHE 7 2.017 0.298 7.251 40 HD1 PHE 7 HD1 PHE 7 -1.541 0.339 6.383 41 HD2 PHE 7 HD2 PHE 7 2.364 -0.801 5.141 42 HE1 PHE 7 HE1 PHE 7 -2.375 0.001 4.093 43 HE2 PHE 7 HE2 PHE 7 1.535 -1.145 2.852 44 HZ PHE 7 HZ PHE 7 -0.834 -0.743 2.324 45 H SER 8 H SER 8 3.348 -1.374 8.682 46 HA SER 8 HA SER 8 4.172 -3.174 6.717 47 HB2 SER 8 1HB SER 8 5.723 -1.714 7.933 48 HB3 SER 8 2HB SER 8 5.437 -2.628 9.413 49 HG SER 8 HG SER 8 6.168 -4.212 7.312 50 H ALA 9 H ALA 9 2.945 -3.773 9.964 51 HA ALA 9 HA ALA 9 3.765 -6.483 10.130 52 HB1 ALA 9 3HB ALA 9 1.497 -5.106 11.559 53 HB2 ALA 9 1HB ALA 9 3.176 -5.141 12.096 54 HB3 ALA 9 2HB ALA 9 2.244 -6.636 12.017 55 H ILE 10 H ILE 10 0.637 -4.984 9.361 56 HA ILE 10 HA ILE 10 -0.650 -7.427 8.711 57 HB ILE 10 HB ILE 10 -1.366 -4.613 7.852 58 HG12 ILE 10 1HG1 ILE 10 -2.341 -6.285 10.183 59 HG13 ILE 10 2HG1 ILE 10 -1.255 -4.906 10.300 60 HG21 ILE 10 1HG2 ILE 10 -3.627 -5.513 7.510 61 HG22 ILE 10 2HG2 ILE 10 -3.033 -7.131 7.884 62 HG23 ILE 10 3HG2 ILE 10 -2.448 -6.287 6.449 63 HD11 ILE 10 3HD1 ILE 10 -4.105 -4.826 9.343 64 HD12 ILE 10 1HD1 ILE 10 -3.023 -3.442 9.486 65 HD13 ILE 10 2HD1 ILE 10 -3.528 -4.320 10.930 66 H TYR 11 H TYR 11 1.187 -5.072 6.871 67 HA TYR 11 HA TYR 11 0.717 -6.012 4.282 68 HB2 TYR 11 1HB TYR 11 1.841 -3.975 4.412 69 HB3 TYR 11 2HB TYR 11 2.998 -4.569 5.595 70 HD1 TYR 11 HD2 TYR 11 2.019 -5.804 2.188 71 HD2 TYR 11 HD1 TYR 11 5.112 -4.374 4.735 72 HE1 TYR 11 HE2 TYR 11 3.664 -6.189 0.399 73 HE2 TYR 11 HE1 TYR 11 6.761 -4.752 2.955 74 HH TYR 11 HH TYR 11 7.119 -5.820 0.960 75 H LYS 12 H LYS 12 3.212 -7.039 6.641 76 HA LYS 12 HA LYS 12 4.381 -8.906 4.864 77 HB2 LYS 12 1HB LYS 12 5.566 -8.035 6.852 78 HB3 LYS 12 2HB LYS 12 4.462 -8.935 7.886 79 HG2 LYS 12 1HG LYS 12 5.274 -11.022 7.068 80 HG3 LYS 12 2HG LYS 12 6.220 -10.224 5.813 81 HD2 LYS 12 1HD LYS 12 7.647 -9.215 7.496 82 HD3 LYS 12 2HD LYS 12 6.670 -9.931 8.782 83 HE2 LYS 12 1HE LYS 12 7.279 -12.157 8.053 84 HE3 LYS 12 2HE LYS 12 8.163 -11.495 6.677 85 HZ1 LYS 12 3HZ LYS 12 9.787 -10.581 8.096 86 HZ2 LYS 12 1HZ LYS 12 9.542 -12.165 8.640 87 HZ3 LYS 12 2HZ LYS 12 8.863 -10.863 9.489 88 H GLU 13 H GLU 13 1.812 -9.181 7.272 89 HA GLU 13 HA GLU 13 1.391 -11.957 7.067 90 HB2 GLU 13 1HB GLU 13 -0.442 -9.660 7.723 91 HB3 GLU 13 2HB GLU 13 -1.024 -11.317 7.677 92 HG2 GLU 13 1HG GLU 13 1.244 -10.369 9.402 93 HG3 GLU 13 2HG GLU 13 -0.431 -10.504 9.940 94 H TRP 14 H TRP 14 -0.195 -9.266 5.387 95 HA TRP 14 HA TRP 14 -1.743 -10.697 3.585 96 HB2 TRP 14 1HB TRP 14 -2.072 -8.347 3.779 97 HB3 TRP 14 2HB TRP 14 -0.388 -8.004 3.406 98 HD1 TRP 14 HD1 TRP 14 -3.614 -9.205 1.657 99 HE1 TRP 14 HE1 TRP 14 -3.453 -8.569 -0.840 100 HE3 TRP 14 HE3 TRP 14 1.162 -7.383 1.590 101 HZ2 TRP 14 HZ2 TRP 14 -1.552 -7.458 -2.591 102 HZ3 TRP 14 HZ3 TRP 14 2.075 -6.553 -0.535 103 HH2 TRP 14 HH2 TRP 14 0.745 -6.593 -2.587 104 H TYR 15 H TYR 15 1.589 -9.551 3.268 105 HA TYR 15 HA TYR 15 2.117 -10.453 0.699 106 HB2 TYR 15 1HB TYR 15 3.683 -8.992 1.784 107 HB3 TYR 15 2HB TYR 15 3.956 -10.154 3.078 108 HD1 TYR 15 HD1 TYR 15 4.102 -10.134 -0.660 109 HD2 TYR 15 HD2 TYR 15 5.971 -11.261 2.992 110 HE1 TYR 15 HE1 TYR 15 5.974 -11.098 -1.924 111 HE2 TYR 15 HE2 TYR 15 7.853 -12.227 1.737 112 HH TYR 15 HH TYR 15 8.324 -11.659 -1.586 113 H GLU 16 H GLU 16 2.775 -12.139 3.784 114 HA GLU 16 HA GLU 16 3.871 -14.442 2.634 115 HB2 GLU 16 1HB GLU 16 4.037 -13.803 5.036 116 HB3 GLU 16 2HB GLU 16 2.353 -14.261 5.245 117 HG2 GLU 16 1HG GLU 16 3.840 -16.010 6.033 118 HG3 GLU 16 2HG GLU 16 2.892 -16.563 4.657 119 H HIS 17 H HIS 17 0.530 -13.527 3.135 120 HA HIS 17 HA HIS 17 -0.546 -16.126 2.654 121 HB2 HIS 17 1HB HIS 17 -1.827 -13.390 2.486 122 HB3 HIS 17 2HB HIS 17 -2.707 -14.896 2.262 123 HD1 HIS 17 HD1 HIS 17 -1.590 -16.550 4.581 124 HD2 HIS 17 HD2 HIS 17 -2.733 -12.561 4.914 125 HE1 HIS 17 HE1 HIS 17 -2.028 -16.168 7.032 126 HE2 HIS 17 HE2 HIS 17 -2.823 -13.781 7.200 127 H LYS 18 H LYS 18 -0.227 -13.220 0.610 128 HA LYS 18 HA LYS 18 -1.228 -14.609 -1.705 129 HB2 LYS 18 1HB LYS 18 0.118 -11.903 -1.505 130 HB3 LYS 18 2HB LYS 18 -0.757 -12.516 -2.902 131 HG2 LYS 18 1HG LYS 18 -1.944 -11.981 -0.185 132 HG3 LYS 18 2HG LYS 18 -2.106 -10.948 -1.605 133 HD2 LYS 18 1HD LYS 18 -2.937 -13.820 -1.737 134 HD3 LYS 18 2HD LYS 18 -4.003 -12.627 -0.995 135 HE2 LYS 18 1HE LYS 18 -2.836 -12.152 -3.712 136 HE3 LYS 18 2HE LYS 18 -4.264 -13.168 -3.515 137 HZ1 LYS 18 3HZ LYS 18 -4.803 -10.830 -3.996 138 HZ2 LYS 18 1HZ LYS 18 -4.050 -10.353 -2.556 139 HZ3 LYS 18 2HZ LYS 18 -5.430 -11.335 -2.511 140 H LYS 19 H LYS 19 1.744 -14.375 -0.173 141 HA LYS 19 HA LYS 19 3.551 -14.672 -2.324 142 HB2 LYS 19 1HB LYS 19 4.355 -13.984 -0.187 143 HB3 LYS 19 2HB LYS 19 3.643 -15.374 0.608 144 HG2 LYS 19 1HG LYS 19 5.288 -16.832 -0.323 145 HG3 LYS 19 2HG LYS 19 5.930 -15.534 -1.339 146 HD2 LYS 19 1HD LYS 19 6.789 -14.363 0.510 147 HD3 LYS 19 2HD LYS 19 5.831 -15.304 1.655 148 HE2 LYS 19 1HE LYS 19 8.018 -16.474 -0.053 149 HE3 LYS 19 2HE LYS 19 8.278 -15.856 1.577 150 HZ1 LYS 19 3HZ LYS 19 6.387 -18.037 0.868 151 HZ2 LYS 19 1HZ LYS 19 6.727 -17.471 2.429 152 HZ3 LYS 19 2HZ LYS 19 7.930 -18.264 1.529 153 H GLN 20 H GLN 20 1.344 -16.824 -0.801 154 HA GLN 20 HA GLN 20 2.581 -19.202 -1.918 155 HB2 GLN 20 1HB GLN 20 -0.023 -18.792 -0.439 156 HB3 GLN 20 2HB GLN 20 0.605 -20.355 -0.949 157 HG2 GLN 20 1HG GLN 20 2.505 -20.131 0.480 158 HG3 GLN 20 2HG GLN 20 2.062 -18.475 0.886 159 HE21 GLN 20 2HE2 GLN 20 2.497 -20.814 2.570 160 HE22 GLN 20 1HE2 GLN 20 1.040 -20.997 3.496 161 H VAL 21 H VAL 21 0.500 -16.764 -2.925 162 HA VAL 21 HA VAL 21 -0.945 -18.383 -4.856 163 HB VAL 21 HB VAL 21 -0.957 -15.389 -4.456 164 HG11 VAL 21 1HG1 VAL 21 -2.812 -17.166 -6.037 165 HG12 VAL 21 2HG1 VAL 21 -1.646 -16.021 -6.702 166 HG13 VAL 21 3HG1 VAL 21 -3.026 -15.435 -5.773 167 HG21 VAL 21 3HG2 VAL 21 -2.902 -17.483 -3.489 168 HG22 VAL 21 1HG2 VAL 21 -3.099 -15.737 -3.322 169 HG23 VAL 21 2HG2 VAL 21 -1.780 -16.561 -2.487 170 H TRP 22 H TRP 22 1.327 -15.667 -4.878 171 HA TRP 22 HA TRP 22 1.811 -15.988 -7.721 172 HB2 TRP 22 1HB TRP 22 3.247 -14.158 -5.791 173 HB3 TRP 22 2HB TRP 22 3.194 -14.027 -7.544 174 HD1 TRP 22 HD1 TRP 22 0.108 -14.169 -8.077 175 HE1 TRP 22 HE1 TRP 22 -1.435 -12.261 -7.295 176 HE3 TRP 22 HE3 TRP 22 3.093 -12.159 -4.451 177 HZ2 TRP 22 HZ2 TRP 22 -1.381 -10.168 -5.388 178 HZ3 TRP 22 HZ3 TRP 22 2.283 -10.200 -3.202 179 HH2 TRP 22 HH2 TRP 22 0.092 -9.228 -3.662 180 H SER 23 H SER 23 4.138 -16.062 -8.472 181 HA SER 23 HA SER 23 5.513 -18.245 -7.237 182 HB2 SER 23 1HB SER 23 6.507 -16.348 -9.380 183 HB3 SER 23 2HB SER 23 7.150 -17.947 -9.006 184 HG SER 23 HG SER 23 5.641 -17.781 -10.842 185 H VAL 24 H VAL 24 7.561 -18.166 -6.189 186 HA VAL 24 HA VAL 24 7.765 -16.182 -4.248 187 HB VAL 24 HB VAL 24 9.987 -18.006 -5.172 188 HG11 VAL 24 1HG1 VAL 24 10.831 -17.751 -2.889 189 HG12 VAL 24 2HG1 VAL 24 9.525 -16.620 -2.530 190 HG13 VAL 24 3HG1 VAL 24 10.758 -16.196 -3.719 191 HG21 VAL 24 3HG2 VAL 24 7.842 -18.434 -3.099 192 HG22 VAL 24 1HG2 VAL 24 9.184 -19.528 -3.433 193 HG23 VAL 24 2HG2 VAL 24 7.952 -19.242 -4.661 194 H GLY 25 H GLY 25 9.570 -16.539 -7.284 195 HA2 GLY 25 1HA GLY 25 11.333 -14.370 -6.909 196 HA3 GLY 25 2HA GLY 25 10.848 -15.033 -8.464 197 H TYR 26 H TYR 26 8.075 -14.541 -8.199 198 HA TYR 26 HA TYR 26 7.983 -11.797 -9.007 199 HB2 TYR 26 1HB TYR 26 6.554 -13.521 -10.050 200 HB3 TYR 26 2HB TYR 26 5.731 -13.762 -8.514 201 HD1 TYR 26 HD1 TYR 26 6.247 -11.398 -11.298 202 HD2 TYR 26 HD2 TYR 26 4.004 -12.274 -7.790 203 HE1 TYR 26 HE1 TYR 26 4.626 -9.653 -11.906 204 HE2 TYR 26 HE2 TYR 26 2.377 -10.530 -8.388 205 HH TYR 26 HH TYR 26 2.252 -9.108 -11.447 206 H ALA 27 H ALA 27 6.823 -13.667 -6.223 207 HA ALA 27 HA ALA 27 5.476 -11.584 -4.912 208 HB1 ALA 27 3HB ALA 27 5.618 -12.978 -2.920 209 HB2 ALA 27 1HB ALA 27 6.853 -13.973 -3.690 210 HB3 ALA 27 2HB ALA 27 5.210 -13.952 -4.332 211 H THR 28 H THR 28 8.831 -12.698 -4.685 212 HA THR 28 HA THR 28 9.616 -10.929 -2.635 213 HB THR 28 HB THR 28 11.355 -12.120 -4.807 214 HG1 THR 28 HG1 THR 28 10.514 -13.856 -3.798 215 HG21 THR 28 3HG2 THR 28 12.452 -10.315 -3.556 216 HG22 THR 28 1HG2 THR 28 13.166 -11.881 -3.168 217 HG23 THR 28 2HG2 THR 28 12.045 -11.116 -2.038 218 H GLU 29 H GLU 29 9.637 -10.611 -6.170 219 HA GLU 29 HA GLU 29 10.972 -8.106 -6.206 220 HB2 GLU 29 1HB GLU 29 10.823 -9.630 -8.152 221 HB3 GLU 29 2HB GLU 29 9.103 -9.281 -8.269 222 HG2 GLU 29 1HG GLU 29 9.560 -6.970 -8.761 223 HG3 GLU 29 2HG GLU 29 11.287 -7.229 -8.518 224 H LEU 30 H LEU 30 7.552 -9.030 -6.297 225 HA LEU 30 HA LEU 30 6.462 -6.460 -6.523 226 HB2 LEU 30 1HB LEU 30 5.172 -8.530 -6.832 227 HB3 LEU 30 2HB LEU 30 5.343 -8.902 -5.130 228 HG LEU 30 HG LEU 30 4.000 -6.344 -5.911 229 HD11 LEU 30 1HD1 LEU 30 2.945 -8.003 -7.336 230 HD12 LEU 30 2HD1 LEU 30 1.852 -7.511 -6.043 231 HD13 LEU 30 3HD1 LEU 30 2.693 -9.058 -5.946 232 HD21 LEU 30 3HD2 LEU 30 4.460 -6.817 -3.549 233 HD22 LEU 30 1HD2 LEU 30 3.548 -8.321 -3.676 234 HD23 LEU 30 2HD2 LEU 30 2.726 -6.773 -3.876 235 H ALA 31 H ALA 31 7.386 -8.367 -3.698 236 HA ALA 31 HA ALA 31 6.561 -6.463 -1.766 237 HB1 ALA 31 3HB ALA 31 6.873 -8.807 -1.194 238 HB2 ALA 31 1HB ALA 31 7.898 -7.780 -0.193 239 HB3 ALA 31 2HB ALA 31 8.599 -8.675 -1.539 240 H LYS 32 H LYS 32 9.588 -7.031 -3.488 241 HA LYS 32 HA LYS 32 11.271 -5.383 -2.015 242 HB2 LYS 32 1HB LYS 32 12.046 -6.884 -3.806 243 HB3 LYS 32 2HB LYS 32 11.302 -5.833 -5.003 244 HG2 LYS 32 1HG LYS 32 13.719 -5.486 -4.841 245 HG3 LYS 32 2HG LYS 32 12.810 -4.035 -4.410 246 HD2 LYS 32 1HD LYS 32 13.099 -4.572 -2.031 247 HD3 LYS 32 2HD LYS 32 14.030 -6.005 -2.471 248 HE2 LYS 32 1HE LYS 32 15.496 -4.166 -1.844 249 HE3 LYS 32 2HE LYS 32 15.706 -4.589 -3.543 250 HZ1 LYS 32 3HZ LYS 32 14.006 -2.354 -2.595 251 HZ2 LYS 32 1HZ LYS 32 14.433 -2.700 -4.197 252 HZ3 LYS 32 2HZ LYS 32 15.613 -2.167 -3.096 253 H MET 33 H MET 33 9.155 -4.549 -4.735 254 HA MET 33 HA MET 33 9.828 -1.789 -4.766 255 HB2 MET 33 1HB MET 33 8.844 -2.833 -6.710 256 HB3 MET 33 2HB MET 33 7.402 -3.261 -5.800 257 HG2 MET 33 1HG MET 33 6.816 -0.929 -5.567 258 HG3 MET 33 2HG MET 33 8.303 -0.449 -6.380 259 HE1 MET 33 3HE MET 33 4.975 -2.826 -8.535 260 HE2 MET 33 1HE MET 33 4.864 -2.370 -6.836 261 HE3 MET 33 2HE MET 33 6.084 -3.530 -7.360 262 H PHE 34 H PHE 34 7.259 -3.641 -3.183 263 HA PHE 34 HA PHE 34 5.810 -1.371 -2.261 264 HB2 PHE 34 1HB PHE 34 4.997 -3.799 -2.504 265 HB3 PHE 34 2HB PHE 34 5.789 -4.094 -0.963 266 HD1 PHE 34 HD2 PHE 34 5.044 -2.679 1.039 267 HD2 PHE 34 HD1 PHE 34 2.841 -2.948 -2.589 268 HE1 PHE 34 HE2 PHE 34 3.026 -1.906 2.207 269 HE2 PHE 34 HE1 PHE 34 0.822 -2.173 -1.424 270 HZ PHE 34 HZ PHE 34 0.912 -1.651 0.977 271 H ASP 35 H ASP 35 8.140 -3.565 -0.699 272 HA ASP 35 HA ASP 35 8.189 -2.369 1.823 273 HB2 ASP 35 1HB ASP 35 10.019 -4.134 0.287 274 HB3 ASP 35 2HB ASP 35 10.717 -3.273 1.654 275 H ASP 36 H ASP 36 10.343 -1.811 -0.959 276 HA ASP 36 HA ASP 36 11.985 0.026 0.438 277 HB2 ASP 36 1HB ASP 36 12.679 -1.300 -1.566 278 HB3 ASP 36 2HB ASP 36 11.691 -0.231 -2.557 279 H ASP 37 H ASP 37 9.001 0.409 -1.272 280 HA ASP 37 HA ASP 37 9.342 3.311 -1.367 281 HB2 ASP 37 1HB ASP 37 7.557 1.387 -2.744 282 HB3 ASP 37 2HB ASP 37 6.896 2.989 -2.416 283 H ILE 38 H ILE 38 6.894 1.006 -0.183 284 HA ILE 38 HA ILE 38 5.334 3.072 0.993 285 HB ILE 38 HB ILE 38 5.212 0.074 1.097 286 HG12 ILE 38 1HG1 ILE 38 2.923 0.569 0.116 287 HG13 ILE 38 2HG1 ILE 38 3.430 2.247 -0.007 288 HG21 ILE 38 1HG2 ILE 38 3.152 0.225 2.423 289 HG22 ILE 38 2HG2 ILE 38 3.442 1.951 2.651 290 HG23 ILE 38 3HG2 ILE 38 4.570 0.770 3.318 291 HD11 ILE 38 3HD1 ILE 38 3.675 1.099 -2.125 292 HD12 ILE 38 1HD1 ILE 38 4.730 -0.097 -1.374 293 HD13 ILE 38 2HD1 ILE 38 5.250 1.583 -1.495 294 H LEU 39 H LEU 39 7.761 0.845 2.262 295 HA LEU 39 HA LEU 39 7.081 1.094 4.968 296 HB2 LEU 39 1HB LEU 39 9.471 0.126 3.513 297 HB3 LEU 39 2HB LEU 39 9.652 0.484 5.219 298 HG LEU 39 HG LEU 39 9.104 -1.929 4.577 299 HD11 LEU 39 1HD1 LEU 39 7.358 -0.465 6.549 300 HD12 LEU 39 2HD1 LEU 39 8.967 -1.116 6.855 301 HD13 LEU 39 3HD1 LEU 39 7.621 -2.207 6.518 302 HD21 LEU 39 3HD2 LEU 39 6.384 -0.678 4.159 303 HD22 LEU 39 1HD2 LEU 39 6.703 -2.411 4.279 304 HD23 LEU 39 2HD2 LEU 39 7.369 -1.481 2.936 305 HA PRO 40 HA PRO 40 10.535 4.544 5.360 306 HB2 PRO 40 1HB PRO 40 10.413 5.617 2.594 307 HB3 PRO 40 2HB PRO 40 11.802 5.436 3.671 308 HG2 PRO 40 1HG PRO 40 11.477 3.791 1.610 309 HG3 PRO 40 2HG PRO 40 12.060 3.180 3.171 310 HD2 PRO 40 1HD PRO 40 9.326 2.995 1.962 311 HD3 PRO 40 2HD PRO 40 10.244 1.771 2.863 312 H ILE 41 H ILE 41 7.644 4.652 3.425 313 HA ILE 41 HA ILE 41 7.126 7.442 4.107 314 HB ILE 41 HB ILE 41 5.366 5.556 2.538 315 HG12 ILE 41 1HG1 ILE 41 7.604 5.877 1.470 316 HG13 ILE 41 2HG1 ILE 41 6.269 6.500 0.508 317 HG21 ILE 41 1HG2 ILE 41 5.380 8.564 2.761 318 HG22 ILE 41 2HG2 ILE 41 4.185 7.465 3.451 319 HG23 ILE 41 3HG2 ILE 41 4.332 7.618 1.699 320 HD11 ILE 41 3HD1 ILE 41 8.110 8.028 0.403 321 HD12 ILE 41 1HD1 ILE 41 8.200 8.105 2.166 322 HD13 ILE 41 2HD1 ILE 41 6.799 8.770 1.324 323 H ILE 42 H ILE 42 5.183 4.431 4.298 324 HA ILE 42 HA ILE 42 3.950 5.550 6.740 325 HB ILE 42 HB ILE 42 1.824 4.502 6.074 326 HG12 ILE 42 1HG1 ILE 42 2.886 4.159 3.296 327 HG13 ILE 42 2HG1 ILE 42 3.156 2.888 4.483 328 HG21 ILE 42 1HG2 ILE 42 1.221 6.112 4.334 329 HG22 ILE 42 2HG2 ILE 42 2.930 6.429 4.038 330 HG23 ILE 42 3HG2 ILE 42 2.211 6.855 5.591 331 HD11 ILE 42 3HD1 ILE 42 1.196 2.412 3.174 332 HD12 ILE 42 1HD1 ILE 42 0.494 3.974 3.607 333 HD13 ILE 42 2HD1 ILE 42 0.743 2.745 4.848 334 H GLY 43 H GLY 43 5.985 3.251 5.912 335 HA2 GLY 43 1HA GLY 43 4.824 0.779 6.485 336 HA3 GLY 43 2HA GLY 43 6.528 1.156 6.665 337 H GLY 44 H GLY 44 6.284 3.128 8.677 338 HA2 GLY 44 1HA GLY 44 5.887 1.306 10.928 339 HA3 GLY 44 2HA GLY 44 6.767 2.828 10.965 340 H LEU 45 H LEU 45 3.770 3.042 9.365 341 HA LEU 45 HA LEU 45 2.668 4.445 11.689 342 HB2 LEU 45 1HB LEU 45 1.764 4.435 8.807 343 HB3 LEU 45 2HB LEU 45 1.073 5.415 10.086 344 HG LEU 45 HG LEU 45 3.901 5.631 9.053 345 HD11 LEU 45 1HD1 LEU 45 2.248 6.406 7.431 346 HD12 LEU 45 2HD1 LEU 45 3.183 7.749 8.092 347 HD13 LEU 45 3HD1 LEU 45 1.535 7.457 8.657 348 HD21 LEU 45 3HD2 LEU 45 2.403 7.324 11.046 349 HD22 LEU 45 1HD2 LEU 45 4.019 7.650 10.422 350 HD23 LEU 45 2HD2 LEU 45 3.729 6.219 11.410 351 H GLU 46 H GLU 46 0.553 4.036 12.421 352 HA GLU 46 HA GLU 46 -0.221 1.271 12.230 353 HB2 GLU 46 1HB GLU 46 -1.476 3.609 13.676 354 HB3 GLU 46 2HB GLU 46 -2.057 1.952 13.786 355 HG2 GLU 46 1HG GLU 46 0.143 1.279 14.680 356 HG3 GLU 46 2HG GLU 46 0.636 2.973 14.652 357 H ILE 47 H ILE 47 -2.042 0.435 11.305 358 HA ILE 47 HA ILE 47 -2.600 1.572 8.805 359 HB ILE 47 HB ILE 47 -2.604 -0.889 9.489 360 HG12 ILE 47 1HG1 ILE 47 -4.941 0.030 7.805 361 HG13 ILE 47 2HG1 ILE 47 -3.273 0.089 7.252 362 HG21 ILE 47 1HG2 ILE 47 -5.445 -0.200 10.221 363 HG22 ILE 47 2HG2 ILE 47 -4.182 -0.751 11.323 364 HG23 ILE 47 3HG2 ILE 47 -4.792 -1.832 10.071 365 HD11 ILE 47 3HD1 ILE 47 -4.472 -1.868 6.416 366 HD12 ILE 47 1HD1 ILE 47 -4.740 -2.401 8.076 367 HD13 ILE 47 2HD1 ILE 47 -3.100 -2.314 7.433 368 H GLN 48 H GLN 48 -4.222 1.986 11.828 369 HA GLN 48 HA GLN 48 -6.678 2.942 10.609 370 HB2 GLN 48 1HB GLN 48 -5.738 2.834 13.473 371 HB3 GLN 48 2HB GLN 48 -7.272 3.534 12.991 372 HG2 GLN 48 1HG GLN 48 -7.956 1.347 12.085 373 HG3 GLN 48 2HG GLN 48 -6.428 0.665 12.649 374 HE21 GLN 48 2HE2 GLN 48 -9.212 0.046 13.421 375 HE22 GLN 48 1HE2 GLN 48 -9.281 0.285 15.135 376 H ASP 49 H ASP 49 -3.640 4.237 11.395 377 HA ASP 49 HA ASP 49 -4.764 6.946 11.648 378 HB2 ASP 49 1HB ASP 49 -2.633 5.616 13.301 379 HB3 ASP 49 2HB ASP 49 -2.722 7.368 13.170 380 H ILE 50 H ILE 50 -3.741 5.609 9.296 381 HA ILE 50 HA ILE 50 -1.186 6.844 8.751 382 HB ILE 50 HB ILE 50 -3.082 5.328 6.950 383 HG12 ILE 50 1HG1 ILE 50 -0.433 4.563 8.195 384 HG13 ILE 50 2HG1 ILE 50 -2.011 3.994 8.723 385 HG21 ILE 50 1HG2 ILE 50 -0.283 6.296 6.371 386 HG22 ILE 50 2HG2 ILE 50 -1.764 6.948 5.668 387 HG23 ILE 50 3HG2 ILE 50 -1.274 5.290 5.313 388 HD11 ILE 50 3HD1 ILE 50 -0.744 3.450 6.055 389 HD12 ILE 50 1HD1 ILE 50 -2.321 2.869 6.588 390 HD13 ILE 50 2HD1 ILE 50 -0.859 2.323 7.408 391 H GLU 51 H GLU 51 -0.869 8.767 7.863 392 HA GLU 51 HA GLU 51 -3.021 10.579 7.482 393 HB2 GLU 51 1HB GLU 51 -0.103 10.819 6.717 394 HB3 GLU 51 2HB GLU 51 -1.260 12.142 6.715 395 HG2 GLU 51 1HG GLU 51 -0.467 10.551 9.143 396 HG3 GLU 51 2HG GLU 51 0.192 12.126 8.700 397 HA PRO 52 HA PRO 52 -4.216 9.453 3.342 398 HB2 PRO 52 1HB PRO 52 -5.095 12.298 3.320 399 HB3 PRO 52 2HB PRO 52 -5.998 10.836 2.908 400 HG2 PRO 52 1HG PRO 52 -6.434 12.086 5.214 401 HG3 PRO 52 2HG PRO 52 -6.428 10.315 5.128 402 HD2 PRO 52 1HD PRO 52 -4.339 12.172 6.180 403 HD3 PRO 52 2HD PRO 52 -4.833 10.572 6.774 404 H MET 53 H MET 53 -2.745 12.652 3.919 405 HA MET 53 HA MET 53 -1.875 12.992 1.235 406 HB2 MET 53 1HB MET 53 -2.214 14.886 2.752 407 HB3 MET 53 2HB MET 53 -0.908 14.311 3.777 408 HG2 MET 53 1HG MET 53 0.708 14.738 2.060 409 HG3 MET 53 2HG MET 53 -0.562 15.145 0.908 410 HE1 MET 53 3HE MET 53 0.336 17.697 4.651 411 HE2 MET 53 1HE MET 53 1.205 16.210 4.270 412 HE3 MET 53 2HE MET 53 -0.503 16.146 4.706 413 H GLN 54 H GLN 54 -0.557 11.358 3.989 414 HA GLN 54 HA GLN 54 2.113 11.197 2.910 415 HB2 GLN 54 1HB GLN 54 1.365 11.137 5.401 416 HB3 GLN 54 2HB GLN 54 1.044 9.435 5.097 417 HG2 GLN 54 1HG GLN 54 3.303 8.970 4.680 418 HG3 GLN 54 2HG GLN 54 3.706 10.678 4.499 419 HE21 GLN 54 2HE2 GLN 54 4.891 8.690 6.274 420 HE22 GLN 54 1HE2 GLN 54 4.690 9.311 7.874 421 H LEU 55 H LEU 55 -0.783 9.202 3.035 422 HA LEU 55 HA LEU 55 0.314 6.946 1.717 423 HB2 LEU 55 1HB LEU 55 -1.892 6.988 2.888 424 HB3 LEU 55 2HB LEU 55 -2.521 7.983 1.589 425 HG LEU 55 HG LEU 55 -2.120 6.141 -0.005 426 HD11 LEU 55 1HD1 LEU 55 -1.349 4.569 2.451 427 HD12 LEU 55 2HD1 LEU 55 -0.260 5.064 1.155 428 HD13 LEU 55 3HD1 LEU 55 -1.558 3.919 0.824 429 HD21 LEU 55 3HD2 LEU 55 -3.762 5.375 2.405 430 HD22 LEU 55 1HD2 LEU 55 -3.910 4.681 0.790 431 HD23 LEU 55 2HD2 LEU 55 -4.300 6.381 1.060 432 H LEU 56 H LEU 56 -0.980 10.016 0.655 433 HA LEU 56 HA LEU 56 -0.881 9.518 -2.130 434 HB2 LEU 56 1HB LEU 56 -2.017 11.459 -0.855 435 HB3 LEU 56 2HB LEU 56 -0.439 12.216 -0.862 436 HG LEU 56 HG LEU 56 -2.047 12.981 -2.657 437 HD11 LEU 56 1HD1 LEU 56 0.578 11.845 -3.580 438 HD12 LEU 56 2HD1 LEU 56 0.324 13.426 -2.838 439 HD13 LEU 56 3HD1 LEU 56 -0.375 13.071 -4.417 440 HD21 LEU 56 3HD2 LEU 56 -1.429 10.271 -3.814 441 HD22 LEU 56 1HD2 LEU 56 -2.292 11.574 -4.629 442 HD23 LEU 56 2HD2 LEU 56 -2.996 10.805 -3.205 443 H GLU 57 H GLU 57 1.480 10.615 0.241 444 HA GLU 57 HA GLU 57 3.574 11.341 -1.439 445 HB2 GLU 57 1HB GLU 57 3.595 11.645 1.008 446 HB3 GLU 57 2HB GLU 57 3.738 9.907 1.221 447 HG2 GLU 57 1HG GLU 57 5.886 10.822 1.544 448 HG3 GLU 57 2HG GLU 57 5.901 10.021 -0.026 449 H VAL 58 H VAL 58 2.584 8.123 -0.304 450 HA VAL 58 HA VAL 58 4.630 6.640 -1.548 451 HB VAL 58 HB VAL 58 1.757 5.836 -1.032 452 HG11 VAL 58 1HG1 VAL 58 2.770 4.407 -2.735 453 HG12 VAL 58 2HG1 VAL 58 2.542 3.525 -1.224 454 HG13 VAL 58 3HG1 VAL 58 4.146 4.104 -1.674 455 HG21 VAL 58 3HG2 VAL 58 2.695 4.701 0.938 456 HG22 VAL 58 1HG2 VAL 58 2.953 6.444 0.991 457 HG23 VAL 58 2HG2 VAL 58 4.281 5.371 0.552 458 H ILE 59 H ILE 59 1.341 7.335 -2.740 459 HA ILE 59 HA ILE 59 1.662 6.209 -5.293 460 HB ILE 59 HB ILE 59 -0.236 8.181 -4.114 461 HG12 ILE 59 1HG1 ILE 59 -1.900 6.543 -4.978 462 HG13 ILE 59 2HG1 ILE 59 -0.576 5.581 -5.620 463 HG21 ILE 59 1HG2 ILE 59 0.256 9.183 -6.284 464 HG22 ILE 59 2HG2 ILE 59 -1.384 8.535 -6.231 465 HG23 ILE 59 3HG2 ILE 59 -0.114 7.650 -7.078 466 HD11 ILE 59 3HD1 ILE 59 0.269 5.251 -3.346 467 HD12 ILE 59 1HD1 ILE 59 -1.380 4.656 -3.544 468 HD13 ILE 59 2HD1 ILE 59 -1.088 6.187 -2.719 469 H ARG 60 H ARG 60 2.305 9.458 -4.104 470 HA ARG 60 HA ARG 60 2.961 10.525 -6.675 471 HB2 ARG 60 1HB ARG 60 2.045 11.915 -4.867 472 HB3 ARG 60 2HB ARG 60 3.487 11.622 -3.909 473 HG2 ARG 60 1HG ARG 60 4.833 12.895 -5.356 474 HG3 ARG 60 2HG ARG 60 3.592 12.925 -6.609 475 HD2 ARG 60 1HD ARG 60 3.828 15.059 -5.327 476 HD3 ARG 60 2HD ARG 60 2.205 14.366 -5.309 477 HE ARG 60 HE ARG 60 2.373 14.117 -3.054 478 HH11 ARG 60 1HH1 ARG 60 5.617 14.549 -4.315 479 HH12 ARG 60 2HH1 ARG 60 6.327 14.749 -2.741 480 HH21 ARG 60 1HH2 ARG 60 3.291 14.449 -1.004 481 HH22 ARG 60 2HH2 ARG 60 5.001 14.694 -0.855 482 H ARG 61 H ARG 61 4.692 8.854 -4.181 483 HA ARG 61 HA ARG 61 7.331 9.478 -4.874 484 HB2 ARG 61 1HB ARG 61 6.057 7.614 -3.206 485 HB3 ARG 61 2HB ARG 61 7.006 6.649 -4.330 486 HG2 ARG 61 1HG ARG 61 8.967 8.138 -3.732 487 HG3 ARG 61 2HG ARG 61 7.959 8.754 -2.421 488 HD2 ARG 61 1HD ARG 61 7.708 6.461 -1.565 489 HD3 ARG 61 2HD ARG 61 8.780 5.883 -2.842 490 HE ARG 61 HE ARG 61 9.755 7.929 -0.979 491 HH11 ARG 61 1HH1 ARG 61 9.934 4.673 -2.266 492 HH12 ARG 61 2HH1 ARG 61 11.387 4.285 -1.388 493 HH21 ARG 61 1HH2 ARG 61 11.668 7.445 0.110 494 HH22 ARG 61 2HH2 ARG 61 12.395 5.868 -0.051 495 H PHE 62 H PHE 62 5.104 7.005 -6.091 496 HA PHE 62 HA PHE 62 6.794 6.149 -8.220 497 HB2 PHE 62 1HB PHE 62 3.810 5.884 -7.814 498 HB3 PHE 62 2HB PHE 62 4.686 5.139 -9.145 499 HD1 PHE 62 HD1 PHE 62 6.236 3.296 -8.734 500 HD2 PHE 62 HD2 PHE 62 3.931 5.012 -5.599 501 HE1 PHE 62 HE1 PHE 62 6.689 1.325 -7.328 502 HE2 PHE 62 HE2 PHE 62 4.382 3.050 -4.188 503 HZ PHE 62 HZ PHE 62 5.760 1.203 -5.050 504 H GLU 63 H GLU 63 4.256 8.575 -7.927 505 HA GLU 63 HA GLU 63 3.745 9.182 -10.576 506 HB2 GLU 63 1HB GLU 63 2.511 10.157 -8.684 507 HB3 GLU 63 2HB GLU 63 3.920 11.124 -8.265 508 HG2 GLU 63 1HG GLU 63 3.728 12.090 -10.623 509 HG3 GLU 63 2HG GLU 63 2.119 11.370 -10.645 510 H ASP 64 H ASP 64 6.295 10.496 -8.493 511 HA ASP 64 HA ASP 64 7.297 12.420 -10.250 512 HB2 ASP 64 1HB ASP 64 7.894 12.298 -7.863 513 HB3 ASP 64 2HB ASP 64 8.822 10.833 -8.173 514 H ARG 65 H ARG 65 7.773 8.990 -10.171 515 HA ARG 65 HA ARG 65 10.086 9.009 -11.912 516 HB2 ARG 65 1HB ARG 65 8.347 6.678 -11.086 517 HB3 ARG 65 2HB ARG 65 9.979 6.600 -11.741 518 HG2 ARG 65 1HG ARG 65 10.918 7.472 -9.778 519 HG3 ARG 65 2HG ARG 65 9.350 7.995 -9.167 520 HD2 ARG 65 1HD ARG 65 8.684 5.592 -9.037 521 HD3 ARG 65 2HD ARG 65 10.346 5.166 -9.461 522 HE ARG 65 HE ARG 65 10.596 6.877 -7.370 523 HH11 ARG 65 1HH1 ARG 65 8.899 3.837 -7.791 524 HH12 ARG 65 2HH1 ARG 65 9.018 3.403 -6.108 525 HH21 ARG 65 1HH2 ARG 65 10.749 6.318 -5.210 526 HH22 ARG 65 2HH2 ARG 65 10.047 4.823 -4.638 527 H GLY 66 H GLY 66 6.786 9.343 -12.337 528 HA2 GLY 66 1HA GLY 66 5.484 9.265 -14.266 529 HA3 GLY 66 2HA GLY 66 6.866 8.598 -15.138 530 H ALA 67 H ALA 67 6.341 7.058 -12.224 531 HA ALA 67 HA ALA 67 5.541 4.620 -13.559 532 HB1 ALA 67 3HB ALA 67 7.328 4.546 -11.908 533 HB2 ALA 67 1HB ALA 67 5.955 3.583 -11.358 534 HB3 ALA 67 2HB ALA 67 6.245 5.184 -10.671 535 H MET 68 H MET 68 3.506 6.297 -13.861 536 HA MET 68 HA MET 68 1.615 6.487 -11.789 537 HB2 MET 68 1HB MET 68 1.294 6.574 -14.789 538 HB3 MET 68 2HB MET 68 -0.022 6.892 -13.671 539 HG2 MET 68 1HG MET 68 2.513 8.441 -13.437 540 HG3 MET 68 2HG MET 68 1.350 8.851 -14.694 541 HE1 MET 68 3HE MET 68 0.687 7.534 -10.995 542 HE2 MET 68 1HE MET 68 0.455 9.067 -10.154 543 HE3 MET 68 2HE MET 68 2.035 8.656 -10.820 544 H GLU 69 H GLU 69 2.211 3.997 -14.172 545 HA GLU 69 HA GLU 69 -0.176 2.537 -13.804 546 HB2 GLU 69 1HB GLU 69 1.328 2.286 -15.750 547 HB3 GLU 69 2HB GLU 69 2.551 1.579 -14.709 548 HG2 GLU 69 1HG GLU 69 -0.142 0.321 -14.846 549 HG3 GLU 69 2HG GLU 69 0.992 0.083 -16.173 550 H ARG 70 H ARG 70 3.078 2.163 -12.405 551 HA ARG 70 HA ARG 70 2.256 0.067 -10.643 552 HB2 ARG 70 1HB ARG 70 4.754 1.760 -10.737 553 HB3 ARG 70 2HB ARG 70 4.511 0.447 -9.590 554 HG2 ARG 70 1HG ARG 70 4.293 -1.137 -11.412 555 HG3 ARG 70 2HG ARG 70 4.471 0.165 -12.588 556 HD2 ARG 70 1HD ARG 70 6.730 0.594 -11.799 557 HD3 ARG 70 2HD ARG 70 6.550 -0.649 -10.559 558 HE ARG 70 HE ARG 70 6.163 -1.512 -13.304 559 HH11 ARG 70 1HH1 ARG 70 8.424 -1.168 -10.653 560 HH12 ARG 70 2HH1 ARG 70 9.446 -2.472 -11.192 561 HH21 ARG 70 1HH2 ARG 70 7.505 -3.219 -14.014 562 HH22 ARG 70 2HH2 ARG 70 8.911 -3.646 -13.092 563 H ALA 71 H ALA 71 2.081 3.484 -10.526 564 HA ALA 71 HA ALA 71 1.917 3.793 -7.702 565 HB1 ALA 71 3HB ALA 71 2.357 5.698 -9.162 566 HB2 ALA 71 1HB ALA 71 0.908 5.970 -8.196 567 HB3 ALA 71 2HB ALA 71 0.763 5.517 -9.893 568 H ASN 72 H ASN 72 -0.462 3.287 -10.277 569 HA ASN 72 HA ASN 72 -2.761 3.265 -8.646 570 HB2 ASN 72 1HB ASN 72 -2.904 3.371 -11.094 571 HB3 ASN 72 2HB ASN 72 -2.213 1.756 -11.220 572 HD21 ASN 72 2HD2 ASN 72 -3.953 0.858 -12.255 573 HD22 ASN 72 1HD2 ASN 72 -5.496 0.622 -11.501 574 H LYS 73 H LYS 73 -0.488 0.734 -9.593 575 HA LYS 73 HA LYS 73 -1.679 -1.412 -8.238 576 HB2 LYS 73 1HB LYS 73 1.112 -0.783 -9.103 577 HB3 LYS 73 2HB LYS 73 0.847 -2.143 -8.021 578 HG2 LYS 73 1HG LYS 73 -0.682 -3.138 -9.649 579 HG3 LYS 73 2HG LYS 73 -0.406 -1.771 -10.733 580 HD2 LYS 73 1HD LYS 73 1.879 -2.349 -11.023 581 HD3 LYS 73 2HD LYS 73 1.818 -3.524 -9.708 582 HE2 LYS 73 1HE LYS 73 1.811 -4.598 -11.914 583 HE3 LYS 73 2HE LYS 73 0.342 -4.941 -11.003 584 HZ1 LYS 73 3HZ LYS 73 0.059 -4.361 -13.418 585 HZ2 LYS 73 1HZ LYS 73 0.495 -2.769 -13.017 586 HZ3 LYS 73 2HZ LYS 73 -0.891 -3.474 -12.333 587 H ALA 74 H ALA 74 0.580 1.079 -7.126 588 HA ALA 74 HA ALA 74 1.051 0.063 -4.560 589 HB1 ALA 74 3HB ALA 74 0.964 2.963 -5.386 590 HB2 ALA 74 1HB ALA 74 2.354 1.889 -5.562 591 HB3 ALA 74 2HB ALA 74 1.757 2.302 -3.954 592 H ARG 75 H ARG 75 -1.371 2.437 -5.649 593 HA ARG 75 HA ARG 75 -2.625 2.839 -3.188 594 HB2 ARG 75 1HB ARG 75 -3.016 4.218 -5.210 595 HB3 ARG 75 2HB ARG 75 -3.912 2.884 -5.925 596 HG2 ARG 75 1HG ARG 75 -5.503 3.020 -4.007 597 HG3 ARG 75 2HG ARG 75 -4.656 4.475 -3.481 598 HD2 ARG 75 1HD ARG 75 -5.155 5.515 -5.667 599 HD3 ARG 75 2HD ARG 75 -6.071 4.077 -6.116 600 HE ARG 75 HE ARG 75 -6.837 5.641 -3.745 601 HH11 ARG 75 1HH1 ARG 75 -7.598 4.320 -6.901 602 HH12 ARG 75 2HH1 ARG 75 -9.271 4.789 -6.831 603 HH21 ARG 75 1HH2 ARG 75 -9.051 6.258 -3.651 604 HH22 ARG 75 2HH2 ARG 75 -10.099 5.899 -4.996 605 H ARG 76 H ARG 76 -3.386 0.473 -5.740 606 HA ARG 76 HA ARG 76 -5.656 -0.551 -4.373 607 HB2 ARG 76 1HB ARG 76 -4.060 -1.556 -6.713 608 HB3 ARG 76 2HB ARG 76 -5.430 -2.450 -6.062 609 HG2 ARG 76 1HG ARG 76 -6.872 -0.507 -6.459 610 HG3 ARG 76 2HG ARG 76 -5.497 0.356 -7.153 611 HD2 ARG 76 1HD ARG 76 -6.542 -2.268 -8.196 612 HD3 ARG 76 2HD ARG 76 -7.027 -0.694 -8.824 613 HE ARG 76 HE ARG 76 -4.536 -0.401 -9.256 614 HH11 ARG 76 1HH1 ARG 76 -6.141 -3.507 -9.305 615 HH12 ARG 76 2HH1 ARG 76 -5.083 -4.180 -10.511 616 HH21 ARG 76 1HH2 ARG 76 -3.132 -1.287 -10.850 617 HH22 ARG 76 2HH2 ARG 76 -3.378 -2.924 -11.382 618 H ARG 77 H ARG 77 -2.272 -1.596 -4.509 619 HA ARG 77 HA ARG 77 -2.662 -4.029 -3.129 620 HB2 ARG 77 1HB ARG 77 -0.241 -2.244 -3.364 621 HB3 ARG 77 2HB ARG 77 -0.214 -3.778 -2.507 622 HG2 ARG 77 1HG ARG 77 -0.828 -4.945 -4.555 623 HG3 ARG 77 2HG ARG 77 -0.880 -3.408 -5.421 624 HD2 ARG 77 1HD ARG 77 1.542 -4.634 -4.100 625 HD3 ARG 77 2HD ARG 77 1.222 -4.568 -5.833 626 HE ARG 77 HE ARG 77 1.134 -1.963 -5.051 627 HH11 ARG 77 1HH1 ARG 77 3.495 -4.528 -4.745 628 HH12 ARG 77 2HH1 ARG 77 4.858 -3.459 -4.711 629 HH21 ARG 77 1HH2 ARG 77 2.929 -0.532 -5.022 630 HH22 ARG 77 2HH2 ARG 77 4.535 -1.170 -4.884 631 H CYS 78 H CYS 78 -1.891 -0.748 -1.992 632 HA CYS 78 HA CYS 78 -1.845 -1.375 0.755 633 HB2 CYS 78 1HB CYS 78 -2.647 1.225 -0.575 634 HB3 CYS 78 2HB CYS 78 -2.229 1.029 1.123 635 HG CYS 78 HG CYS 78 -0.195 0.997 -1.592 636 H GLY 79 H GLY 79 -4.443 -0.421 -1.447 637 HA2 GLY 79 1HA GLY 79 -6.551 -0.240 0.364 638 HA3 GLY 79 2HA GLY 79 -6.710 -0.699 -1.323 639 H GLU 80 H GLU 80 -5.158 -3.099 -1.188 640 HA GLU 80 HA GLU 80 -7.151 -4.875 -0.196 641 HB2 GLU 80 1HB GLU 80 -5.790 -5.428 -2.171 642 HB3 GLU 80 2HB GLU 80 -4.353 -5.506 -1.158 643 HG2 GLU 80 1HG GLU 80 -5.052 -7.455 -0.099 644 HG3 GLU 80 2HG GLU 80 -6.731 -7.227 -0.582 645 H VAL 81 H VAL 81 -3.985 -3.821 0.965 646 HA VAL 81 HA VAL 81 -3.850 -5.480 3.237 647 HB VAL 81 HB VAL 81 -2.782 -2.659 2.930 648 HG11 VAL 81 1HG1 VAL 81 -1.209 -3.290 4.711 649 HG12 VAL 81 2HG1 VAL 81 -2.040 -4.836 4.884 650 HG13 VAL 81 3HG1 VAL 81 -2.883 -3.336 5.266 651 HG21 VAL 81 3HG2 VAL 81 -1.462 -5.326 2.423 652 HG22 VAL 81 1HG2 VAL 81 -0.660 -3.756 2.361 653 HG23 VAL 81 2HG2 VAL 81 -1.931 -4.143 1.201 654 H PHE 82 H PHE 82 -5.221 -2.230 2.776 655 HA PHE 82 HA PHE 82 -6.311 -1.894 5.335 656 HB2 PHE 82 1HB PHE 82 -7.281 -0.891 2.651 657 HB3 PHE 82 2HB PHE 82 -7.991 -0.399 4.180 658 HD1 PHE 82 HD1 PHE 82 -5.789 0.139 5.912 659 HD2 PHE 82 HD2 PHE 82 -6.121 0.848 1.731 660 HE1 PHE 82 HE1 PHE 82 -4.147 1.964 6.093 661 HE2 PHE 82 HE2 PHE 82 -4.475 2.664 1.900 662 HZ PHE 82 HZ PHE 82 -3.484 3.226 4.081 663 H ARG 83 H ARG 83 -7.621 -3.430 2.429 664 HA ARG 83 HA ARG 83 -10.189 -3.993 3.372 665 HB2 ARG 83 1HB ARG 83 -9.350 -4.240 1.000 666 HB3 ARG 83 2HB ARG 83 -8.595 -5.747 1.499 667 HG2 ARG 83 1HG ARG 83 -10.841 -6.575 2.178 668 HG3 ARG 83 2HG ARG 83 -11.537 -5.111 1.480 669 HD2 ARG 83 1HD ARG 83 -11.737 -6.680 -0.229 670 HD3 ARG 83 2HD ARG 83 -10.280 -5.785 -0.660 671 HE ARG 83 HE ARG 83 -10.136 -8.356 0.767 672 HH11 ARG 83 1HH1 ARG 83 -9.261 -6.320 -1.954 673 HH12 ARG 83 2HH1 ARG 83 -8.077 -7.446 -2.567 674 HH21 ARG 83 1HH2 ARG 83 -8.609 -9.846 -0.079 675 HH22 ARG 83 2HH2 ARG 83 -7.739 -9.452 -1.528 676 H TYR 84 H TYR 84 -7.192 -5.887 3.583 677 HA TYR 84 HA TYR 84 -8.329 -8.131 4.858 678 HB2 TYR 84 1HB TYR 84 -5.990 -7.882 3.782 679 HB3 TYR 84 2HB TYR 84 -5.497 -7.212 5.334 680 HD1 TYR 84 HD1 TYR 84 -5.510 -8.641 7.365 681 HD2 TYR 84 HD2 TYR 84 -6.413 -10.215 3.515 682 HE1 TYR 84 HE1 TYR 84 -5.171 -10.921 8.221 683 HE2 TYR 84 HE2 TYR 84 -6.080 -12.497 4.362 684 HH TYR 84 HH TYR 84 -5.855 -13.218 7.672 685 H ALA 85 H ALA 85 -7.091 -5.073 6.057 686 HA ALA 85 HA ALA 85 -7.257 -5.749 8.818 687 HB1 ALA 85 3HB ALA 85 -7.034 -3.349 9.215 688 HB2 ALA 85 1HB ALA 85 -7.282 -3.041 7.495 689 HB3 ALA 85 2HB ALA 85 -5.854 -3.923 8.036 690 H ILE 86 H ILE 86 -9.522 -4.535 6.454 691 HA ILE 86 HA ILE 86 -11.582 -3.885 8.315 692 HB ILE 86 HB ILE 86 -11.813 -4.618 5.385 693 HG12 ILE 86 1HG1 ILE 86 -11.682 -1.901 6.721 694 HG13 ILE 86 2HG1 ILE 86 -10.369 -2.651 5.818 695 HG21 ILE 86 1HG2 ILE 86 -13.772 -3.242 7.218 696 HG22 ILE 86 2HG2 ILE 86 -13.933 -4.865 6.545 697 HG23 ILE 86 3HG2 ILE 86 -13.974 -3.458 5.480 698 HD11 ILE 86 3HD1 ILE 86 -11.517 -0.978 4.490 699 HD12 ILE 86 1HD1 ILE 86 -13.045 -1.836 4.703 700 HD13 ILE 86 2HD1 ILE 86 -11.731 -2.586 3.794 701 H VAL 87 H VAL 87 -10.706 -6.743 6.455 702 HA VAL 87 HA VAL 87 -12.900 -8.363 7.225 703 HB VAL 87 HB VAL 87 -10.125 -9.193 6.338 704 HG11 VAL 87 1HG1 VAL 87 -11.306 -11.019 7.454 705 HG12 VAL 87 2HG1 VAL 87 -11.160 -11.320 5.721 706 HG13 VAL 87 3HG1 VAL 87 -12.694 -10.771 6.394 707 HG21 VAL 87 3HG2 VAL 87 -11.244 -7.792 4.692 708 HG22 VAL 87 1HG2 VAL 87 -12.668 -8.832 4.758 709 HG23 VAL 87 2HG2 VAL 87 -11.146 -9.460 4.128 710 H THR 88 H THR 88 -9.745 -7.730 8.660 711 HA THR 88 HA THR 88 -10.065 -9.719 10.715 712 HB THR 88 HB THR 88 -8.053 -8.507 11.739 713 HG1 THR 88 HG1 THR 88 -7.663 -7.365 9.208 714 HG21 THR 88 3HG2 THR 88 -7.802 -9.606 8.940 715 HG22 THR 88 1HG2 THR 88 -7.851 -10.561 10.423 716 HG23 THR 88 2HG2 THR 88 -6.498 -9.471 10.121 717 H GLY 89 H GLY 89 -11.348 -6.662 10.213 718 HA2 GLY 89 1HA GLY 89 -12.943 -5.624 11.552 719 HA3 GLY 89 2HA GLY 89 -12.493 -6.688 12.874 720 H ARG 90 H ARG 90 -9.909 -5.088 11.308 721 HA ARG 90 HA ARG 90 -9.486 -3.456 13.684 722 HB2 ARG 90 1HB ARG 90 -7.702 -4.046 11.322 723 HB3 ARG 90 2HB ARG 90 -7.251 -3.008 12.667 724 HG2 ARG 90 1HG ARG 90 -7.504 -4.913 14.197 725 HG3 ARG 90 2HG ARG 90 -7.891 -5.945 12.817 726 HD2 ARG 90 1HD ARG 90 -5.710 -5.503 11.846 727 HD3 ARG 90 2HD ARG 90 -5.325 -4.399 13.164 728 HE ARG 90 HE ARG 90 -5.920 -7.203 13.787 729 HH11 ARG 90 1HH1 ARG 90 -3.646 -4.548 13.619 730 HH12 ARG 90 2HH1 ARG 90 -2.405 -5.373 14.516 731 HH21 ARG 90 1HH2 ARG 90 -4.288 -8.308 14.970 732 HH22 ARG 90 2HH2 ARG 90 -2.779 -7.505 15.291 733 H ALA 91 H ALA 91 -9.168 -2.923 10.188 734 HA ALA 91 HA ALA 91 -9.416 -0.070 10.589 735 HB1 ALA 91 3HB ALA 91 -7.814 -0.897 8.950 736 HB2 ALA 91 1HB ALA 91 -9.042 0.109 8.180 737 HB3 ALA 91 2HB ALA 91 -9.124 -1.647 8.035 738 H LYS 92 H LYS 92 -11.278 0.918 10.693 739 HA LYS 92 HA LYS 92 -13.664 -0.403 9.630 740 HB2 LYS 92 1HB LYS 92 -13.486 1.938 11.535 741 HB3 LYS 92 2HB LYS 92 -14.914 0.971 11.175 742 HG2 LYS 92 1HG LYS 92 -13.908 -0.973 12.200 743 HG3 LYS 92 2HG LYS 92 -12.410 -0.085 12.474 744 HD2 LYS 92 1HD LYS 92 -13.669 1.481 13.931 745 HD3 LYS 92 2HD LYS 92 -15.096 0.461 13.728 746 HE2 LYS 92 1HE LYS 92 -13.793 -1.444 14.650 747 HE3 LYS 92 2HE LYS 92 -12.460 -0.335 14.960 748 HZ1 LYS 92 3HZ LYS 92 -13.702 -0.601 16.957 749 HZ2 LYS 92 1HZ LYS 92 -15.167 -0.259 16.173 750 HZ3 LYS 92 2HZ LYS 92 -14.013 0.963 16.374 751 H TYR 93 H TYR 93 -11.520 2.124 9.059 752 HA TYR 93 HA TYR 93 -13.050 2.930 6.733 753 HB2 TYR 93 1HB TYR 93 -13.721 4.662 8.266 754 HB3 TYR 93 2HB TYR 93 -12.068 4.885 8.829 755 HD1 TYR 93 HD2 TYR 93 -14.198 5.204 5.791 756 HD2 TYR 93 HD1 TYR 93 -10.705 6.501 7.841 757 HE1 TYR 93 HE2 TYR 93 -13.852 6.942 4.087 758 HE2 TYR 93 HE1 TYR 93 -10.349 8.244 6.144 759 HH TYR 93 HH TYR 93 -12.704 9.138 3.887 760 H ASN 94 H ASN 94 -11.735 3.015 5.015 761 HA ASN 94 HA ASN 94 -8.853 3.299 5.514 762 HB2 ASN 94 1HB ASN 94 -8.488 2.112 3.384 763 HB3 ASN 94 2HB ASN 94 -9.395 1.130 4.526 764 HD21 ASN 94 2HD2 ASN 94 -9.215 0.930 1.633 765 HD22 ASN 94 1HD2 ASN 94 -10.834 1.051 1.042 766 HA PRO 95 HA PRO 95 -9.280 7.201 3.545 767 HB2 PRO 95 1HB PRO 95 -6.679 7.824 3.228 768 HB3 PRO 95 2HB PRO 95 -7.440 7.755 4.823 769 HG2 PRO 95 1HG PRO 95 -5.736 5.712 3.446 770 HG3 PRO 95 2HG PRO 95 -5.684 6.256 5.132 771 HD2 PRO 95 1HD PRO 95 -6.912 3.956 4.344 772 HD3 PRO 95 2HD PRO 95 -7.428 4.900 5.754 773 H ALA 96 H ALA 96 -9.316 4.763 1.782 774 HA ALA 96 HA ALA 96 -7.671 5.267 -0.475 775 HB1 ALA 96 3HB ALA 96 -10.182 3.610 -0.288 776 HB2 ALA 96 1HB ALA 96 -8.532 3.041 -0.024 777 HB3 ALA 96 2HB ALA 96 -9.030 3.591 -1.625 778 HA PRO 97 HA PRO 97 -11.684 7.286 -2.416 779 HB2 PRO 97 1HB PRO 97 -13.065 8.235 0.023 780 HB3 PRO 97 2HB PRO 97 -13.739 7.512 -1.441 781 HG2 PRO 97 1HG PRO 97 -13.637 6.147 0.852 782 HG3 PRO 97 2HG PRO 97 -13.356 5.348 -0.707 783 HD2 PRO 97 1HD PRO 97 -11.376 6.238 1.354 784 HD3 PRO 97 2HD PRO 97 -11.402 4.750 0.387 785 H ASP 98 H ASP 98 -10.646 8.560 0.743 786 HA ASP 98 HA ASP 98 -10.667 11.279 -0.040 787 HB2 ASP 98 1HB ASP 98 -10.716 10.523 2.323 788 HB3 ASP 98 2HB ASP 98 -9.046 9.989 2.166 789 H LEU 99 H LEU 99 -8.238 8.760 -0.138 790 HA LEU 99 HA LEU 99 -5.967 10.207 -0.805 791 HB2 LEU 99 1HB LEU 99 -6.211 7.716 -0.336 792 HB3 LEU 99 2HB LEU 99 -6.733 7.538 -1.996 793 HG LEU 99 HG LEU 99 -4.309 6.976 -1.454 794 HD11 LEU 99 1HD1 LEU 99 -5.086 7.228 -3.736 795 HD12 LEU 99 2HD1 LEU 99 -3.471 7.913 -3.553 796 HD13 LEU 99 3HD1 LEU 99 -4.877 8.975 -3.633 797 HD21 LEU 99 3HD2 LEU 99 -2.748 8.840 -1.391 798 HD22 LEU 99 1HD2 LEU 99 -3.864 8.901 -0.027 799 HD23 LEU 99 2HD2 LEU 99 -4.094 9.980 -1.403 800 H ALA 100 H ALA 100 -8.631 9.100 -2.835 801 HA ALA 100 HA ALA 100 -7.508 9.866 -5.318 802 HB1 ALA 100 3HB ALA 100 -9.350 8.268 -5.165 803 HB2 ALA 100 1HB ALA 100 -9.775 9.630 -6.206 804 HB3 ALA 100 2HB ALA 100 -10.415 9.541 -4.563 805 H ASP 101 H ASP 101 -9.772 11.482 -3.109 806 HA ASP 101 HA ASP 101 -10.147 13.799 -4.677 807 HB2 ASP 101 1HB ASP 101 -11.701 13.288 -2.915 808 HB3 ASP 101 2HB ASP 101 -10.423 13.346 -1.706 809 H ALA 102 H ALA 102 -7.853 13.010 -2.127 810 HA ALA 102 HA ALA 102 -6.599 15.526 -1.958 811 HB1 ALA 102 3HB ALA 102 -5.428 12.793 -1.436 812 HB2 ALA 102 1HB ALA 102 -6.300 13.785 -0.268 813 HB3 ALA 102 2HB ALA 102 -4.747 14.330 -0.901 814 H MET 103 H MET 103 -5.890 12.653 -3.905 815 HA MET 103 HA MET 103 -3.593 13.515 -5.210 816 HB2 MET 103 1HB MET 103 -4.567 11.216 -5.294 817 HB3 MET 103 2HB MET 103 -5.807 11.823 -6.383 818 HG2 MET 103 1HG MET 103 -3.935 12.512 -7.932 819 HG3 MET 103 2HG MET 103 -2.855 11.590 -6.887 820 HE1 MET 103 3HE MET 103 -4.383 7.977 -7.203 821 HE2 MET 103 1HE MET 103 -4.850 9.200 -6.023 822 HE3 MET 103 2HE MET 103 -3.149 8.968 -6.424 823 H LYS 104 H LYS 104 -6.982 13.953 -6.117 824 HA LYS 104 HA LYS 104 -6.573 15.176 -8.599 825 HB2 LYS 104 1HB LYS 104 -8.850 15.461 -6.639 826 HB3 LYS 104 2HB LYS 104 -8.881 16.109 -8.271 827 HG2 LYS 104 1HG LYS 104 -8.531 13.195 -7.609 828 HG3 LYS 104 2HG LYS 104 -10.072 13.955 -8.014 829 HD2 LYS 104 1HD LYS 104 -9.086 14.659 -10.186 830 HD3 LYS 104 2HD LYS 104 -7.632 13.746 -9.777 831 HE2 LYS 104 1HE LYS 104 -8.927 11.691 -9.671 832 HE3 LYS 104 2HE LYS 104 -10.409 12.586 -10.002 833 HZ1 LYS 104 3HZ LYS 104 -9.443 13.228 -12.159 834 HZ2 LYS 104 1HZ LYS 104 -9.635 11.551 -12.006 835 HZ3 LYS 104 2HZ LYS 104 -8.099 12.244 -11.837 836 H GLY 105 H GLY 105 -7.011 16.625 -5.399 837 HA2 GLY 105 1HA GLY 105 -6.645 19.295 -6.493 838 HA3 GLY 105 2HA GLY 105 -7.009 18.892 -4.822 839 H TYR 106 H TYR 106 -4.475 17.004 -5.969 840 HA TYR 106 HA TYR 106 -2.612 18.535 -4.335 841 HB2 TYR 106 1HB TYR 106 -3.030 15.912 -4.392 842 HB3 TYR 106 2HB TYR 106 -1.845 15.988 -5.691 843 HD1 TYR 106 HD1 TYR 106 0.430 17.006 -5.180 844 HD2 TYR 106 HD2 TYR 106 -2.371 15.965 -2.152 845 HE1 TYR 106 HE1 TYR 106 2.243 16.989 -3.517 846 HE2 TYR 106 HE2 TYR 106 -0.570 15.950 -0.483 847 HH TYR 106 HH TYR 106 2.465 17.261 -1.024 848 H ARG 107 H ARG 107 -3.236 17.767 -7.656 849 HA ARG 107 HA ARG 107 -0.593 18.697 -8.480 850 HB2 ARG 107 1HB ARG 107 -2.836 17.437 -10.065 851 HB3 ARG 107 2HB ARG 107 -1.284 17.921 -10.741 852 HG2 ARG 107 1HG ARG 107 -0.151 16.362 -9.226 853 HG3 ARG 107 2HG ARG 107 -1.720 15.862 -8.591 854 HD2 ARG 107 1HD ARG 107 -2.360 15.092 -10.834 855 HD3 ARG 107 2HD ARG 107 -0.765 15.553 -11.434 856 HE ARG 107 HE ARG 107 -0.095 13.910 -9.448 857 HH11 ARG 107 1HH1 ARG 107 -2.416 13.519 -12.058 858 HH12 ARG 107 2HH1 ARG 107 -2.351 11.781 -12.002 859 HH21 ARG 107 1HH2 ARG 107 -0.021 11.677 -9.372 860 HH22 ARG 107 2HH2 ARG 107 -1.016 10.724 -10.442 861 H LYS 108 H LYS 108 -3.182 20.216 -7.569 862 HA LYS 108 HA LYS 108 -4.056 22.275 -7.868 863 HB2 LYS 108 1HB LYS 108 -1.704 22.934 -7.695 864 HB3 LYS 108 2HB LYS 108 -1.510 22.733 -9.431 865 HG2 LYS 108 1HG LYS 108 -3.002 24.566 -9.863 866 HG3 LYS 108 2HG LYS 108 -3.382 24.712 -8.144 867 HD2 LYS 108 1HD LYS 108 -1.086 25.331 -7.661 868 HD3 LYS 108 2HD LYS 108 -0.644 25.094 -9.353 869 HE2 LYS 108 1HE LYS 108 -2.710 27.080 -8.432 870 HE3 LYS 108 2HE LYS 108 -1.010 27.481 -8.664 871 HZ1 LYS 108 3HZ LYS 108 -1.173 26.936 -10.967 872 HZ2 LYS 108 1HZ LYS 108 -2.429 28.014 -10.600 873 HZ3 LYS 108 2HZ LYS 108 -2.757 26.361 -10.792 874 H LYS 109 H LYS 109 -5.803 21.456 -9.084 875 HA LYS 109 HA LYS 109 -5.882 22.655 -11.744 876 HB2 LYS 109 1HB LYS 109 -6.811 19.843 -11.123 877 HB3 LYS 109 2HB LYS 109 -7.242 20.719 -12.584 878 HG2 LYS 109 1HG LYS 109 -4.783 20.912 -13.067 879 HG3 LYS 109 2HG LYS 109 -4.515 19.790 -11.732 880 HD2 LYS 109 1HD LYS 109 -5.882 18.112 -12.848 881 HD3 LYS 109 2HD LYS 109 -6.214 19.239 -14.165 882 HE2 LYS 109 1HE LYS 109 -3.547 18.061 -13.402 883 HE3 LYS 109 2HE LYS 109 -4.489 17.711 -14.850 884 HZ1 LYS 109 3HZ LYS 109 -4.229 20.124 -15.429 885 HZ2 LYS 109 1HZ LYS 109 -2.793 19.219 -15.465 886 HZ3 LYS 109 2HZ LYS 109 -3.112 20.245 -14.158 887 H ASN 110 H ASN 110 -7.348 24.200 -11.493 888 HA ASN 110 HA ASN 110 -9.534 23.917 -9.632 889 HB2 ASN 110 1HB ASN 110 -8.764 26.144 -11.527 890 HB3 ASN 110 2HB ASN 110 -10.164 26.213 -10.460 891 HD21 ASN 110 2HD2 ASN 110 -9.842 26.332 -8.226 892 HD22 ASN 110 1HD2 ASN 110 -8.329 26.832 -7.552 893 H LEU 111 H LEU 111 -11.695 23.778 -10.116 894 HA LEU 111 HA LEU 111 -12.285 22.249 -12.450 895 HB2 LEU 111 1HB LEU 111 -13.385 21.845 -10.311 896 HB3 LEU 111 2HB LEU 111 -14.110 23.439 -10.365 897 HG LEU 111 HG LEU 111 -15.385 22.758 -12.384 898 HD11 LEU 111 1HD1 LEU 111 -13.874 21.034 -13.205 899 HD12 LEU 111 2HD1 LEU 111 -15.502 20.396 -12.979 900 HD13 LEU 111 3HD1 LEU 111 -14.240 20.033 -11.800 901 HD21 LEU 111 3HD2 LEU 111 -15.748 20.985 -9.971 902 HD22 LEU 111 1HD2 LEU 111 -16.962 21.305 -11.209 903 HD23 LEU 111 2HD2 LEU 111 -16.397 22.613 -10.171 904 H GLU 112 H GLU 112 -13.764 25.302 -11.317 905 HA GLU 112 HA GLU 112 -14.554 25.850 -14.080 906 HB2 GLU 112 1HB GLU 112 -15.856 26.198 -11.660 907 HB3 GLU 112 2HB GLU 112 -15.327 27.824 -12.065 908 HG2 GLU 112 1HG GLU 112 -16.987 26.015 -13.809 909 HG3 GLU 112 2HG GLU 112 -17.574 27.397 -12.886 910 H HIS 113 H HIS 113 -14.148 27.915 -15.044 911 HA HIS 113 HA HIS 113 -11.541 28.995 -14.238 912 HB2 HIS 113 1HB HIS 113 -13.144 29.456 -16.769 913 HB3 HIS 113 2HB HIS 113 -11.522 30.061 -16.460 914 HD1 HIS 113 HD1 HIS 113 -13.319 27.244 -17.876 915 HD2 HIS 113 HD2 HIS 113 -9.550 27.901 -16.247 916 HE1 HIS 113 HE1 HIS 113 -11.903 25.311 -18.642 917 HE2 HIS 113 HE2 HIS 113 -9.580 25.847 -17.821 918 H HIS 114 H HIS 114 -11.828 30.517 -12.690 919 HA HIS 114 HA HIS 114 -14.072 32.210 -12.503 920 HB2 HIS 114 1HB HIS 114 -11.317 32.378 -11.297 921 HB3 HIS 114 2HB HIS 114 -12.548 33.599 -10.989 922 HD1 HIS 114 HD1 HIS 114 -11.191 31.155 -9.118 923 HD2 HIS 114 HD2 HIS 114 -15.108 31.690 -10.426 924 HE1 HIS 114 HE1 HIS 114 -12.635 29.851 -7.518 925 HE2 HIS 114 HE2 HIS 114 -15.006 30.231 -8.293 926 H HIS 115 H HIS 115 -10.833 32.743 -13.857 927 HA HIS 115 HA HIS 115 -11.827 35.138 -15.185 928 HB2 HIS 115 1HB HIS 115 -9.120 33.906 -14.881 929 HB3 HIS 115 2HB HIS 115 -9.423 34.938 -16.276 930 HD1 HIS 115 HD1 HIS 115 -10.238 37.431 -15.696 931 HD2 HIS 115 HD2 HIS 115 -8.587 35.250 -12.558 932 HE1 HIS 115 HE1 HIS 115 -9.627 39.126 -13.935 933 HE2 HIS 115 HE2 HIS 115 -8.482 37.801 -12.122 934 H HIS 116 H HIS 116 -13.175 34.673 -16.741 935 HA HIS 116 HA HIS 116 -13.075 32.220 -18.199 936 HB2 HIS 116 1HB HIS 116 -14.727 34.709 -18.689 937 HB3 HIS 116 2HB HIS 116 -14.985 33.147 -19.457 938 HD1 HIS 116 HD1 HIS 116 -15.867 31.203 -17.897 939 HD2 HIS 116 HD2 HIS 116 -15.797 34.979 -16.157 940 HE1 HIS 116 HE1 HIS 116 -17.298 31.028 -15.834 941 HE2 HIS 116 HE2 HIS 116 -17.022 33.250 -14.675 942 H HIS 117 H HIS 117 -11.644 31.825 -19.708 943 HA HIS 117 HA HIS 117 -10.260 33.940 -21.100 944 HB2 HIS 117 1HB HIS 117 -9.256 31.707 -20.320 945 HB3 HIS 117 2HB HIS 117 -10.084 30.982 -21.692 946 HD1 HIS 117 HD1 HIS 117 -9.062 31.350 -24.023 947 HD2 HIS 117 HD2 HIS 117 -7.087 33.382 -20.975 948 HE1 HIS 117 HE1 HIS 117 -6.919 32.185 -25.039 949 HE2 HIS 117 HE2 HIS 117 -5.690 33.319 -23.151 950 H HIS 118 H HIS 118 -10.505 34.524 -23.225 951 HA HIS 118 HA HIS 118 -13.041 34.047 -24.396 952 HB2 HIS 118 1HB HIS 118 -12.447 35.593 -26.041 953 HB3 HIS 118 2HB HIS 118 -11.493 36.114 -24.662 954 HD1 HIS 118 HD1 HIS 118 -11.238 35.139 -28.156 955 HD2 HIS 118 HD2 HIS 118 -8.671 35.349 -24.893 956 HE1 HIS 118 HE1 HIS 118 -8.916 35.058 -29.116 957 HE2 HIS 118 HE2 HIS 118 -7.384 35.014 -27.118 Start of MODEL 13 1 H1 SER 1 1H SER 1 1.052 -10.613 20.236 2 H2 SER 1 2H SER 1 2.615 -10.920 20.815 3 H3 SER 1 3H SER 1 2.039 -11.741 19.447 4 HA SER 1 HA SER 1 3.592 -9.970 18.870 5 HB2 SER 1 1HB SER 1 0.733 -9.463 18.001 6 HB3 SER 1 2HB SER 1 2.184 -8.964 17.133 7 HG SER 1 HG SER 1 2.723 -11.194 16.918 8 H SER 2 H SER 2 3.546 -7.544 18.355 9 HA SER 2 HA SER 2 2.726 -6.084 20.762 10 HB2 SER 2 1HB SER 2 5.088 -5.944 19.853 11 HB3 SER 2 2HB SER 2 4.428 -5.127 18.440 12 HG SER 2 HG SER 2 5.203 -3.652 20.020 13 H ASN 3 H ASN 3 2.714 -3.535 19.230 14 HA ASN 3 HA ASN 3 -0.007 -3.489 18.390 15 HB2 ASN 3 1HB ASN 3 1.172 -1.494 19.304 16 HB3 ASN 3 2HB ASN 3 2.166 -1.444 17.853 17 HD21 ASN 3 2HD2 ASN 3 0.416 0.597 18.879 18 HD22 ASN 3 1HD2 ASN 3 -0.758 0.915 17.642 19 H ASN 4 H ASN 4 -0.260 -5.017 16.798 20 HA ASN 4 HA ASN 4 1.309 -4.778 14.355 21 HB2 ASN 4 1HB ASN 4 -0.034 -6.827 13.663 22 HB3 ASN 4 2HB ASN 4 1.061 -7.032 15.024 23 HD21 ASN 4 2HD2 ASN 4 -0.141 -8.841 15.664 24 HD22 ASN 4 1HD2 ASN 4 -1.653 -8.675 16.490 25 H ASN 5 H ASN 5 -0.864 -2.879 15.347 26 HA ASN 5 HA ASN 5 -2.744 -2.978 13.133 27 HB2 ASN 5 1HB ASN 5 -2.367 -1.052 15.430 28 HB3 ASN 5 2HB ASN 5 -3.490 -0.731 14.114 29 HD21 ASN 5 2HD2 ASN 5 -2.906 -3.958 15.298 30 HD22 ASN 5 1HD2 ASN 5 -4.445 -4.173 16.055 31 H SER 6 H SER 6 0.372 -2.097 13.563 32 HA SER 6 HA SER 6 0.574 0.231 11.958 33 HB2 SER 6 1HB SER 6 2.640 -1.940 12.413 34 HB3 SER 6 2HB SER 6 2.953 -0.297 11.856 35 HG SER 6 HG SER 6 2.256 -1.217 14.416 36 H PHE 7 H PHE 7 1.024 0.423 9.764 37 HA PHE 7 HA PHE 7 -0.381 -1.321 8.102 38 HB2 PHE 7 1HB PHE 7 0.201 1.114 7.685 39 HB3 PHE 7 2HB PHE 7 1.786 0.556 7.161 40 HD1 PHE 7 HD2 PHE 7 -1.795 0.587 6.391 41 HD2 PHE 7 HD1 PHE 7 2.080 -0.546 5.049 42 HE1 PHE 7 HE2 PHE 7 -2.696 0.201 4.135 43 HE2 PHE 7 HE1 PHE 7 1.184 -0.935 2.792 44 HZ PHE 7 HZ PHE 7 -1.204 -0.564 2.332 45 H SER 8 H SER 8 3.114 -1.091 8.696 46 HA SER 8 HA SER 8 3.936 -2.894 6.707 47 HB2 SER 8 1HB SER 8 5.444 -1.342 7.941 48 HB3 SER 8 2HB SER 8 5.283 -2.366 9.366 49 HG SER 8 HG SER 8 7.172 -2.714 7.929 50 H ALA 9 H ALA 9 2.674 -3.434 9.928 51 HA ALA 9 HA ALA 9 3.535 -6.143 10.154 52 HB1 ALA 9 3HB ALA 9 1.312 -4.713 11.607 53 HB2 ALA 9 1HB ALA 9 2.998 -4.795 12.119 54 HB3 ALA 9 2HB ALA 9 2.021 -6.263 12.062 55 H ILE 10 H ILE 10 0.451 -4.613 9.289 56 HA ILE 10 HA ILE 10 -0.872 -7.070 8.731 57 HB ILE 10 HB ILE 10 -1.553 -4.253 7.864 58 HG12 ILE 10 1HG1 ILE 10 -2.649 -5.987 10.090 59 HG13 ILE 10 2HG1 ILE 10 -1.508 -4.664 10.311 60 HG21 ILE 10 1HG2 ILE 10 -2.595 -5.889 6.378 61 HG22 ILE 10 2HG2 ILE 10 -3.801 -5.121 7.411 62 HG23 ILE 10 3HG2 ILE 10 -3.242 -6.755 7.772 63 HD11 ILE 10 3HD1 ILE 10 -4.321 -4.423 9.274 64 HD12 ILE 10 1HD1 ILE 10 -3.184 -3.093 9.488 65 HD13 ILE 10 2HD1 ILE 10 -3.760 -3.994 10.890 66 H TYR 11 H TYR 11 0.964 -4.764 6.806 67 HA TYR 11 HA TYR 11 0.564 -5.826 4.263 68 HB2 TYR 11 1HB TYR 11 1.819 -3.921 4.108 69 HB3 TYR 11 2HB TYR 11 2.707 -4.255 5.590 70 HD1 TYR 11 HD2 TYR 11 2.453 -5.322 2.016 71 HD2 TYR 11 HD1 TYR 11 4.891 -5.041 5.495 72 HE1 TYR 11 HE2 TYR 11 4.401 -6.077 0.712 73 HE2 TYR 11 HE1 TYR 11 6.835 -5.795 4.201 74 HH TYR 11 HH TYR 11 7.324 -7.044 2.197 75 H LYS 12 H LYS 12 2.733 -6.879 6.853 76 HA LYS 12 HA LYS 12 4.110 -8.817 5.322 77 HB2 LYS 12 1HB LYS 12 4.877 -7.858 7.511 78 HB3 LYS 12 2HB LYS 12 3.660 -8.845 8.309 79 HG2 LYS 12 1HG LYS 12 5.949 -9.803 8.360 80 HG3 LYS 12 2HG LYS 12 4.743 -10.861 7.619 81 HD2 LYS 12 1HD LYS 12 5.522 -10.373 5.436 82 HD3 LYS 12 2HD LYS 12 6.496 -9.019 6.010 83 HE2 LYS 12 1HE LYS 12 6.979 -11.891 6.782 84 HE3 LYS 12 2HE LYS 12 7.795 -11.079 5.446 85 HZ1 LYS 12 3HZ LYS 12 9.236 -10.889 7.256 86 HZ2 LYS 12 1HZ LYS 12 7.996 -10.484 8.342 87 HZ3 LYS 12 2HZ LYS 12 8.487 -9.372 7.160 88 H GLU 13 H GLU 13 1.266 -8.996 7.422 89 HA GLU 13 HA GLU 13 0.801 -11.766 7.176 90 HB2 GLU 13 1HB GLU 13 -0.283 -10.235 8.839 91 HB3 GLU 13 2HB GLU 13 -1.258 -9.575 7.534 92 HG2 GLU 13 1HG GLU 13 -2.587 -11.149 8.703 93 HG3 GLU 13 2HG GLU 13 -2.161 -11.868 7.150 94 H TRP 14 H TRP 14 -0.427 -8.985 5.371 95 HA TRP 14 HA TRP 14 -2.017 -10.306 3.505 96 HB2 TRP 14 1HB TRP 14 -2.165 -7.934 3.697 97 HB3 TRP 14 2HB TRP 14 -0.448 -7.728 3.386 98 HD1 TRP 14 HD1 TRP 14 -3.680 -8.721 1.503 99 HE1 TRP 14 HE1 TRP 14 -3.380 -8.083 -0.982 100 HE3 TRP 14 HE3 TRP 14 1.189 -7.173 1.650 101 HZ2 TRP 14 HZ2 TRP 14 -1.346 -7.055 -2.640 102 HZ3 TRP 14 HZ3 TRP 14 2.236 -6.373 -0.425 103 HH2 TRP 14 HH2 TRP 14 0.993 -6.318 -2.528 104 H TYR 15 H TYR 15 1.399 -9.350 3.275 105 HA TYR 15 HA TYR 15 1.899 -10.346 0.720 106 HB2 TYR 15 1HB TYR 15 3.481 -8.864 1.770 107 HB3 TYR 15 2HB TYR 15 3.769 -10.015 3.073 108 HD1 TYR 15 HD2 TYR 15 3.772 -10.154 -0.669 109 HD2 TYR 15 HD1 TYR 15 5.831 -11.039 2.949 110 HE1 TYR 15 HE2 TYR 15 5.595 -11.171 -1.962 111 HE2 TYR 15 HE1 TYR 15 7.660 -12.062 1.663 112 HH TYR 15 HH TYR 15 7.975 -11.680 -1.700 113 H GLU 16 H GLU 16 2.269 -11.944 3.881 114 HA GLU 16 HA GLU 16 3.515 -14.263 2.940 115 HB2 GLU 16 1HB GLU 16 3.400 -13.624 5.319 116 HB3 GLU 16 2HB GLU 16 1.682 -14.001 5.328 117 HG2 GLU 16 1HG GLU 16 2.204 -16.334 4.780 118 HG3 GLU 16 2HG GLU 16 3.923 -15.945 4.814 119 H HIS 17 H HIS 17 0.093 -13.457 3.190 120 HA HIS 17 HA HIS 17 -0.800 -16.105 2.568 121 HB2 HIS 17 1HB HIS 17 -2.224 -13.446 2.613 122 HB3 HIS 17 2HB HIS 17 -3.030 -14.953 2.191 123 HD1 HIS 17 HD1 HIS 17 -4.543 -15.130 4.210 124 HD2 HIS 17 HD2 HIS 17 -0.548 -14.612 5.217 125 HE1 HIS 17 HE1 HIS 17 -4.417 -15.494 6.691 126 HE2 HIS 17 HE2 HIS 17 -2.050 -14.861 7.294 127 H LYS 18 H LYS 18 -0.542 -13.083 0.710 128 HA LYS 18 HA LYS 18 -1.453 -14.220 -1.729 129 HB2 LYS 18 1HB LYS 18 0.039 -11.712 -1.023 130 HB3 LYS 18 2HB LYS 18 -0.197 -12.165 -2.703 131 HG2 LYS 18 1HG LYS 18 -2.366 -11.654 -0.675 132 HG3 LYS 18 2HG LYS 18 -1.891 -10.586 -1.998 133 HD2 LYS 18 1HD LYS 18 -2.407 -12.635 -3.504 134 HD3 LYS 18 2HD LYS 18 -3.309 -13.224 -2.108 135 HE2 LYS 18 1HE LYS 18 -3.752 -10.633 -3.586 136 HE3 LYS 18 2HE LYS 18 -4.791 -12.055 -3.621 137 HZ1 LYS 18 3HZ LYS 18 -4.308 -10.225 -1.345 138 HZ2 LYS 18 1HZ LYS 18 -5.088 -11.722 -1.171 139 HZ3 LYS 18 2HZ LYS 18 -5.766 -10.515 -2.152 140 H LYS 19 H LYS 19 1.581 -14.190 -0.103 141 HA LYS 19 HA LYS 19 3.327 -14.648 -2.253 142 HB2 LYS 19 1HB LYS 19 4.017 -14.000 0.040 143 HB3 LYS 19 2HB LYS 19 3.565 -15.600 0.610 144 HG2 LYS 19 1HG LYS 19 5.275 -16.602 -0.780 145 HG3 LYS 19 2HG LYS 19 5.711 -15.014 -1.416 146 HD2 LYS 19 1HD LYS 19 6.288 -14.299 0.880 147 HD3 LYS 19 2HD LYS 19 5.935 -15.932 1.450 148 HE2 LYS 19 1HE LYS 19 8.056 -15.149 -0.546 149 HE3 LYS 19 2HE LYS 19 8.325 -15.638 1.127 150 HZ1 LYS 19 3HZ LYS 19 8.747 -17.498 -0.261 151 HZ2 LYS 19 1HZ LYS 19 7.281 -17.317 -1.090 152 HZ3 LYS 19 2HZ LYS 19 7.287 -17.803 0.534 153 H GLN 20 H GLN 20 1.063 -16.713 -0.653 154 HA GLN 20 HA GLN 20 2.303 -19.150 -1.657 155 HB2 GLN 20 1HB GLN 20 -0.382 -18.942 -0.297 156 HB3 GLN 20 2HB GLN 20 0.673 -20.344 -0.404 157 HG2 GLN 20 1HG GLN 20 1.107 -17.856 1.224 158 HG3 GLN 20 2HG GLN 20 0.759 -19.478 1.818 159 HE21 GLN 20 2HE2 GLN 20 2.996 -17.649 2.341 160 HE22 GLN 20 1HE2 GLN 20 4.434 -18.532 1.940 161 H VAL 21 H VAL 21 0.354 -16.776 -2.857 162 HA VAL 21 HA VAL 21 -1.164 -18.576 -4.609 163 HB VAL 21 HB VAL 21 -1.532 -15.607 -4.176 164 HG11 VAL 21 1HG1 VAL 21 -2.290 -16.337 -6.366 165 HG12 VAL 21 2HG1 VAL 21 -3.664 -15.926 -5.339 166 HG13 VAL 21 3HG1 VAL 21 -3.250 -17.616 -5.624 167 HG21 VAL 21 3HG2 VAL 21 -2.067 -16.854 -2.152 168 HG22 VAL 21 1HG2 VAL 21 -3.120 -17.926 -3.075 169 HG23 VAL 21 2HG2 VAL 21 -3.533 -16.220 -2.898 170 H TRP 22 H TRP 22 0.917 -15.724 -4.638 171 HA TRP 22 HA TRP 22 1.120 -15.713 -7.515 172 HB2 TRP 22 1HB TRP 22 2.708 -14.162 -5.460 173 HB3 TRP 22 2HB TRP 22 2.712 -13.871 -7.193 174 HD1 TRP 22 HD1 TRP 22 -0.559 -14.081 -7.483 175 HE1 TRP 22 HE1 TRP 22 -1.941 -12.052 -6.693 176 HE3 TRP 22 HE3 TRP 22 2.885 -11.915 -4.398 177 HZ2 TRP 22 HZ2 TRP 22 -1.599 -9.822 -4.989 178 HZ3 TRP 22 HZ3 TRP 22 2.287 -9.840 -3.227 179 HH2 TRP 22 HH2 TRP 22 0.089 -8.813 -3.518 180 H SER 23 H SER 23 3.510 -15.433 -8.337 181 HA SER 23 HA SER 23 4.935 -17.864 -7.731 182 HB2 SER 23 1HB SER 23 5.821 -15.592 -9.523 183 HB3 SER 23 2HB SER 23 6.329 -17.281 -9.591 184 HG SER 23 HG SER 23 4.442 -16.233 -10.991 185 H VAL 24 H VAL 24 7.059 -17.960 -6.869 186 HA VAL 24 HA VAL 24 7.539 -16.312 -4.684 187 HB VAL 24 HB VAL 24 8.493 -18.556 -4.885 188 HG11 VAL 24 1HG1 VAL 24 10.513 -18.946 -6.222 189 HG12 VAL 24 2HG1 VAL 24 10.347 -17.334 -6.920 190 HG13 VAL 24 3HG1 VAL 24 9.114 -18.557 -7.223 191 HG21 VAL 24 3HG2 VAL 24 9.465 -17.033 -3.272 192 HG22 VAL 24 1HG2 VAL 24 10.565 -16.401 -4.496 193 HG23 VAL 24 2HG2 VAL 24 10.714 -18.073 -3.956 194 H GLY 25 H GLY 25 8.889 -16.086 -7.968 195 HA2 GLY 25 1HA GLY 25 10.685 -13.958 -7.363 196 HA3 GLY 25 2HA GLY 25 10.132 -14.425 -8.967 197 H TYR 26 H TYR 26 7.478 -14.033 -8.862 198 HA TYR 26 HA TYR 26 7.099 -11.305 -9.233 199 HB2 TYR 26 1HB TYR 26 5.636 -13.124 -10.114 200 HB3 TYR 26 2HB TYR 26 4.999 -13.358 -8.492 201 HD1 TYR 26 HD1 TYR 26 5.145 -11.030 -11.351 202 HD2 TYR 26 HD2 TYR 26 3.304 -11.919 -7.619 203 HE1 TYR 26 HE1 TYR 26 3.397 -9.366 -11.824 204 HE2 TYR 26 HE2 TYR 26 1.552 -10.255 -8.080 205 HH TYR 26 HH TYR 26 1.071 -8.902 -11.163 206 H ALA 27 H ALA 27 6.417 -13.338 -6.420 207 HA ALA 27 HA ALA 27 5.220 -11.322 -4.844 208 HB1 ALA 27 3HB ALA 27 6.613 -13.842 -3.951 209 HB2 ALA 27 1HB ALA 27 4.913 -13.705 -4.401 210 HB3 ALA 27 2HB ALA 27 5.520 -12.857 -2.977 211 H THR 28 H THR 28 8.564 -12.570 -4.957 212 HA THR 28 HA THR 28 9.540 -10.943 -2.863 213 HB THR 28 HB THR 28 11.115 -12.048 -5.201 214 HG1 THR 28 HG1 THR 28 10.112 -13.767 -4.192 215 HG21 THR 28 3HG2 THR 28 11.970 -11.251 -2.413 216 HG22 THR 28 1HG2 THR 28 12.338 -10.374 -3.896 217 HG23 THR 28 2HG2 THR 28 13.008 -11.985 -3.636 218 H GLU 29 H GLU 29 9.337 -10.456 -6.354 219 HA GLU 29 HA GLU 29 10.747 -8.014 -6.471 220 HB2 GLU 29 1HB GLU 29 10.247 -9.415 -8.436 221 HB3 GLU 29 2HB GLU 29 8.536 -9.054 -8.256 222 HG2 GLU 29 1HG GLU 29 9.035 -6.670 -8.646 223 HG3 GLU 29 2HG GLU 29 10.723 -7.100 -8.920 224 H LEU 30 H LEU 30 7.297 -8.755 -6.211 225 HA LEU 30 HA LEU 30 6.358 -6.105 -6.187 226 HB2 LEU 30 1HB LEU 30 5.035 -8.216 -6.577 227 HB3 LEU 30 2HB LEU 30 5.096 -8.502 -4.852 228 HG LEU 30 HG LEU 30 3.913 -5.960 -5.928 229 HD11 LEU 30 1HD1 LEU 30 2.812 -7.779 -7.113 230 HD12 LEU 30 2HD1 LEU 30 1.727 -7.059 -5.924 231 HD13 LEU 30 3HD1 LEU 30 2.508 -8.605 -5.585 232 HD21 LEU 30 3HD2 LEU 30 4.338 -6.111 -3.518 233 HD22 LEU 30 1HD2 LEU 30 3.387 -7.594 -3.443 234 HD23 LEU 30 2HD2 LEU 30 2.609 -6.068 -3.862 235 H ALA 31 H ALA 31 7.216 -8.329 -3.565 236 HA ALA 31 HA ALA 31 6.449 -6.659 -1.441 237 HB1 ALA 31 3HB ALA 31 7.831 -8.107 -0.034 238 HB2 ALA 31 1HB ALA 31 8.539 -8.829 -1.480 239 HB3 ALA 31 2HB ALA 31 6.819 -9.038 -1.139 240 H LYS 32 H LYS 32 9.460 -6.864 -3.276 241 HA LYS 32 HA LYS 32 10.946 -5.206 -1.503 242 HB2 LYS 32 1HB LYS 32 12.049 -6.699 -3.118 243 HB3 LYS 32 2HB LYS 32 11.409 -5.735 -4.444 244 HG2 LYS 32 1HG LYS 32 13.727 -5.171 -4.019 245 HG3 LYS 32 2HG LYS 32 12.681 -3.799 -3.643 246 HD2 LYS 32 1HD LYS 32 12.730 -4.600 -1.238 247 HD3 LYS 32 2HD LYS 32 14.028 -5.690 -1.727 248 HE2 LYS 32 1HE LYS 32 15.315 -3.732 -2.521 249 HE3 LYS 32 2HE LYS 32 14.035 -2.680 -1.920 250 HZ1 LYS 32 3HZ LYS 32 15.863 -4.410 -0.358 251 HZ2 LYS 32 1HZ LYS 32 14.446 -3.760 0.311 252 HZ3 LYS 32 2HZ LYS 32 15.661 -2.726 -0.252 253 H MET 33 H MET 33 9.036 -4.602 -4.404 254 HA MET 33 HA MET 33 9.552 -1.846 -4.636 255 HB2 MET 33 1HB MET 33 8.532 -3.048 -6.456 256 HB3 MET 33 2HB MET 33 7.174 -3.525 -5.451 257 HG2 MET 33 1HG MET 33 7.673 -0.626 -5.895 258 HG3 MET 33 2HG MET 33 6.975 -1.579 -7.202 259 HE1 MET 33 3HE MET 33 4.684 -2.938 -6.965 260 HE2 MET 33 1HE MET 33 3.703 -2.951 -5.498 261 HE3 MET 33 2HE MET 33 5.284 -3.733 -5.509 262 H PHE 34 H PHE 34 6.945 -3.604 -2.993 263 HA PHE 34 HA PHE 34 5.622 -1.364 -1.923 264 HB2 PHE 34 1HB PHE 34 4.945 -3.900 -2.060 265 HB3 PHE 34 2HB PHE 34 5.724 -4.002 -0.486 266 HD1 PHE 34 HD2 PHE 34 4.916 -2.211 1.263 267 HD2 PHE 34 HD1 PHE 34 2.713 -3.409 -2.175 268 HE1 PHE 34 HE2 PHE 34 2.843 -1.416 2.317 269 HE2 PHE 34 HE1 PHE 34 0.635 -2.617 -1.124 270 HZ PHE 34 HZ PHE 34 0.699 -1.623 1.127 271 H ASP 35 H ASP 35 8.267 -3.345 -0.769 272 HA ASP 35 HA ASP 35 8.460 -2.384 1.857 273 HB2 ASP 35 1HB ASP 35 9.563 -4.431 0.982 274 HB3 ASP 35 2HB ASP 35 10.676 -3.414 0.077 275 H ASP 36 H ASP 36 10.565 -1.575 -0.904 276 HA ASP 36 HA ASP 36 12.037 0.313 0.602 277 HB2 ASP 36 1HB ASP 36 12.981 -0.933 -1.299 278 HB3 ASP 36 2HB ASP 36 11.922 -0.055 -2.398 279 H ASP 37 H ASP 37 9.212 0.637 -1.424 280 HA ASP 37 HA ASP 37 9.613 3.530 -1.542 281 HB2 ASP 37 1HB ASP 37 7.846 1.662 -3.095 282 HB3 ASP 37 2HB ASP 37 7.608 3.408 -3.135 283 H ILE 38 H ILE 38 7.224 1.178 -0.396 284 HA ILE 38 HA ILE 38 5.453 3.359 0.368 285 HB ILE 38 HB ILE 38 4.987 0.389 0.627 286 HG12 ILE 38 1HG1 ILE 38 4.299 2.313 -1.605 287 HG13 ILE 38 2HG1 ILE 38 5.389 0.936 -1.700 288 HG21 ILE 38 1HG2 ILE 38 3.546 1.736 2.056 289 HG22 ILE 38 2HG2 ILE 38 2.619 1.023 0.737 290 HG23 ILE 38 3HG2 ILE 38 3.076 2.725 0.672 291 HD11 ILE 38 3HD1 ILE 38 2.417 0.805 -1.259 292 HD12 ILE 38 1HD1 ILE 38 3.509 -0.574 -1.366 293 HD13 ILE 38 2HD1 ILE 38 3.264 0.467 -2.768 294 H LEU 39 H LEU 39 7.382 0.816 1.908 295 HA LEU 39 HA LEU 39 6.161 1.049 4.443 296 HB2 LEU 39 1HB LEU 39 8.821 -0.096 3.650 297 HB3 LEU 39 2HB LEU 39 8.177 -0.181 5.279 298 HG LEU 39 HG LEU 39 7.035 -1.460 2.798 299 HD11 LEU 39 1HD1 LEU 39 8.107 -2.611 5.367 300 HD12 LEU 39 2HD1 LEU 39 8.911 -2.639 3.797 301 HD13 LEU 39 3HD1 LEU 39 7.409 -3.532 4.035 302 HD21 LEU 39 3HD2 LEU 39 5.220 -0.564 4.166 303 HD22 LEU 39 1HD2 LEU 39 5.878 -1.384 5.583 304 HD23 LEU 39 2HD2 LEU 39 5.257 -2.326 4.227 305 HA PRO 40 HA PRO 40 9.847 3.951 5.692 306 HB2 PRO 40 1HB PRO 40 10.437 5.320 3.146 307 HB3 PRO 40 2HB PRO 40 11.547 4.694 4.371 308 HG2 PRO 40 1HG PRO 40 11.274 3.482 2.004 309 HG3 PRO 40 2HG PRO 40 11.517 2.552 3.495 310 HD2 PRO 40 1HD PRO 40 8.982 3.074 1.980 311 HD3 PRO 40 2HD PRO 40 9.564 1.563 2.713 312 H ILE 41 H ILE 41 7.191 4.459 3.629 313 HA ILE 41 HA ILE 41 6.984 7.301 4.309 314 HB ILE 41 HB ILE 41 5.252 5.643 2.466 315 HG12 ILE 41 1HG1 ILE 41 7.641 6.063 1.722 316 HG13 ILE 41 2HG1 ILE 41 6.393 6.659 0.635 317 HG21 ILE 41 1HG2 ILE 41 5.307 8.625 2.929 318 HG22 ILE 41 2HG2 ILE 41 4.041 7.518 3.462 319 HG23 ILE 41 3HG2 ILE 41 4.315 7.779 1.737 320 HD11 ILE 41 3HD1 ILE 41 8.255 8.230 0.895 321 HD12 ILE 41 1HD1 ILE 41 7.908 8.341 2.621 322 HD13 ILE 41 2HD1 ILE 41 6.723 8.914 1.443 323 H ILE 42 H ILE 42 4.946 4.351 4.449 324 HA ILE 42 HA ILE 42 3.574 5.578 6.758 325 HB ILE 42 HB ILE 42 1.437 4.689 6.022 326 HG12 ILE 42 1HG1 ILE 42 2.638 4.006 3.353 327 HG13 ILE 42 2HG1 ILE 42 2.621 2.821 4.657 328 HG21 ILE 42 1HG2 ILE 42 2.012 6.955 5.366 329 HG22 ILE 42 2HG2 ILE 42 1.037 6.179 4.119 330 HG23 ILE 42 3HG2 ILE 42 2.778 6.353 3.896 331 HD11 ILE 42 3HD1 ILE 42 0.203 3.001 4.793 332 HD12 ILE 42 1HD1 ILE 42 0.728 2.523 3.177 333 HD13 ILE 42 2HD1 ILE 42 0.214 4.184 3.483 334 H GLY 43 H GLY 43 5.579 3.217 6.112 335 HA2 GLY 43 1HA GLY 43 4.242 0.801 6.681 336 HA3 GLY 43 2HA GLY 43 5.968 1.082 6.863 337 H GLY 44 H GLY 44 5.735 3.197 8.780 338 HA2 GLY 44 1HA GLY 44 5.224 1.515 11.119 339 HA3 GLY 44 2HA GLY 44 6.136 3.016 11.099 340 H LEU 45 H LEU 45 3.213 3.245 9.381 341 HA LEU 45 HA LEU 45 2.049 4.766 11.597 342 HB2 LEU 45 1HB LEU 45 1.351 4.623 8.665 343 HB3 LEU 45 2HB LEU 45 0.459 5.569 9.840 344 HG LEU 45 HG LEU 45 3.383 5.984 9.221 345 HD11 LEU 45 1HD1 LEU 45 0.977 7.510 8.236 346 HD12 LEU 45 2HD1 LEU 45 2.013 6.468 7.261 347 HD13 LEU 45 3HD1 LEU 45 2.664 7.947 7.966 348 HD21 LEU 45 3HD2 LEU 45 1.379 7.646 10.746 349 HD22 LEU 45 1HD2 LEU 45 3.045 8.108 10.395 350 HD23 LEU 45 2HD2 LEU 45 2.715 6.727 11.442 351 H GLU 46 H GLU 46 -0.126 4.439 12.243 352 HA GLU 46 HA GLU 46 -0.910 1.679 12.258 353 HB2 GLU 46 1HB GLU 46 -2.405 4.115 13.259 354 HB3 GLU 46 2HB GLU 46 -2.826 2.444 13.601 355 HG2 GLU 46 1HG GLU 46 -0.615 2.194 14.723 356 HG3 GLU 46 2HG GLU 46 -0.374 3.927 14.509 357 H ILE 47 H ILE 47 -2.435 0.707 11.036 358 HA ILE 47 HA ILE 47 -3.010 1.844 8.529 359 HB ILE 47 HB ILE 47 -2.809 -0.609 9.061 360 HG12 ILE 47 1HG1 ILE 47 -5.355 0.095 7.598 361 HG13 ILE 47 2HG1 ILE 47 -3.752 0.364 6.924 362 HG21 ILE 47 1HG2 ILE 47 -5.642 -0.241 10.034 363 HG22 ILE 47 2HG2 ILE 47 -4.247 -0.689 11.016 364 HG23 ILE 47 3HG2 ILE 47 -4.841 -1.791 9.773 365 HD11 ILE 47 3HD1 ILE 47 -3.297 -2.022 7.036 366 HD12 ILE 47 1HD1 ILE 47 -4.745 -1.688 6.088 367 HD13 ILE 47 2HD1 ILE 47 -4.893 -2.298 7.735 368 H GLN 48 H GLN 48 -4.621 2.141 11.518 369 HA GLN 48 HA GLN 48 -7.199 2.796 10.369 370 HB2 GLN 48 1HB GLN 48 -6.265 3.125 13.225 371 HB3 GLN 48 2HB GLN 48 -7.925 3.171 12.651 372 HG2 GLN 48 1HG GLN 48 -7.758 0.811 12.011 373 HG3 GLN 48 2HG GLN 48 -6.105 0.773 12.627 374 HE21 GLN 48 2HE2 GLN 48 -8.365 -0.805 13.483 375 HE22 GLN 48 1HE2 GLN 48 -8.614 -0.451 15.159 376 H ASP 49 H ASP 49 -4.287 4.411 11.178 377 HA ASP 49 HA ASP 49 -5.578 6.952 10.568 378 HB2 ASP 49 1HB ASP 49 -5.445 6.780 13.059 379 HB3 ASP 49 2HB ASP 49 -3.689 6.689 12.909 380 H ILE 50 H ILE 50 -4.575 6.717 8.577 381 HA ILE 50 HA ILE 50 -1.691 7.303 8.645 382 HB ILE 50 HB ILE 50 -3.334 6.030 6.449 383 HG12 ILE 50 1HG1 ILE 50 -1.025 4.996 8.110 384 HG13 ILE 50 2HG1 ILE 50 -2.715 4.560 8.327 385 HG21 ILE 50 1HG2 ILE 50 -1.700 7.544 5.467 386 HG22 ILE 50 2HG2 ILE 50 -1.241 5.867 5.181 387 HG23 ILE 50 3HG2 ILE 50 -0.417 6.806 6.426 388 HD11 ILE 50 3HD1 ILE 50 -1.487 2.827 7.164 389 HD12 ILE 50 1HD1 ILE 50 -1.043 3.974 5.899 390 HD13 ILE 50 2HD1 ILE 50 -2.734 3.523 6.129 391 H GLU 51 H GLU 51 -0.970 9.145 7.737 392 HA GLU 51 HA GLU 51 -2.760 11.286 7.312 393 HB2 GLU 51 1HB GLU 51 -0.016 10.960 7.725 394 HB3 GLU 51 2HB GLU 51 -0.131 11.668 6.122 395 HG2 GLU 51 1HG GLU 51 -1.368 12.810 8.616 396 HG3 GLU 51 2HG GLU 51 0.151 13.337 7.894 397 HA PRO 52 HA PRO 52 -4.052 10.361 3.138 398 HB2 PRO 52 1HB PRO 52 -4.482 13.310 3.124 399 HB3 PRO 52 2HB PRO 52 -5.590 12.007 2.677 400 HG2 PRO 52 1HG PRO 52 -5.875 13.294 4.987 401 HG3 PRO 52 2HG PRO 52 -6.147 11.545 4.880 402 HD2 PRO 52 1HD PRO 52 -3.824 13.041 6.005 403 HD3 PRO 52 2HD PRO 52 -4.569 11.526 6.557 404 H MET 53 H MET 53 -1.976 13.153 3.875 405 HA MET 53 HA MET 53 -1.109 13.442 1.157 406 HB2 MET 53 1HB MET 53 -0.038 14.623 3.722 407 HB3 MET 53 2HB MET 53 0.537 15.054 2.117 408 HG2 MET 53 1HG MET 53 -1.665 15.891 1.531 409 HG3 MET 53 2HG MET 53 -2.282 15.410 3.111 410 HE1 MET 53 3HE MET 53 0.843 18.746 2.463 411 HE2 MET 53 1HE MET 53 0.096 17.832 1.152 412 HE3 MET 53 2HE MET 53 1.217 17.035 2.256 413 H GLN 54 H GLN 54 -0.136 11.504 3.824 414 HA GLN 54 HA GLN 54 2.511 11.003 2.775 415 HB2 GLN 54 1HB GLN 54 0.973 10.079 5.154 416 HB3 GLN 54 2HB GLN 54 2.310 9.085 4.589 417 HG2 GLN 54 1HG GLN 54 3.841 10.922 4.831 418 HG3 GLN 54 2HG GLN 54 2.524 12.007 5.270 419 HE21 GLN 54 2HE2 GLN 54 4.958 11.227 6.725 420 HE22 GLN 54 1HE2 GLN 54 4.409 10.615 8.246 421 H LEU 55 H LEU 55 -0.563 9.221 3.012 422 HA LEU 55 HA LEU 55 0.308 6.910 1.656 423 HB2 LEU 55 1HB LEU 55 -1.821 7.057 2.895 424 HB3 LEU 55 2HB LEU 55 -2.445 8.161 1.685 425 HG LEU 55 HG LEU 55 -2.316 6.377 -0.009 426 HD11 LEU 55 1HD1 LEU 55 -1.460 4.639 2.304 427 HD12 LEU 55 2HD1 LEU 55 -0.464 5.098 0.922 428 HD13 LEU 55 3HD1 LEU 55 -1.878 4.070 0.688 429 HD21 LEU 55 3HD2 LEU 55 -4.147 5.009 0.857 430 HD22 LEU 55 1HD2 LEU 55 -4.384 6.715 1.238 431 HD23 LEU 55 2HD2 LEU 55 -3.823 5.601 2.486 432 H LEU 56 H LEU 56 -1.040 9.960 0.534 433 HA LEU 56 HA LEU 56 -1.014 9.327 -2.222 434 HB2 LEU 56 1HB LEU 56 -2.347 11.138 -1.177 435 HB3 LEU 56 2HB LEU 56 -0.873 12.023 -0.865 436 HG LEU 56 HG LEU 56 -2.388 12.648 -2.893 437 HD11 LEU 56 1HD1 LEU 56 -0.280 13.719 -2.373 438 HD12 LEU 56 2HD1 LEU 56 -0.434 13.453 -4.109 439 HD13 LEU 56 3HD1 LEU 56 0.598 12.398 -3.145 440 HD21 LEU 56 3HD2 LEU 56 -2.511 10.435 -3.886 441 HD22 LEU 56 1HD2 LEU 56 -0.756 10.403 -4.062 442 HD23 LEU 56 2HD2 LEU 56 -1.712 11.566 -4.980 443 H GLU 57 H GLU 57 1.422 10.532 0.009 444 HA GLU 57 HA GLU 57 3.295 11.250 -2.025 445 HB2 GLU 57 1HB GLU 57 3.333 12.188 0.291 446 HB3 GLU 57 2HB GLU 57 3.888 10.620 0.865 447 HG2 GLU 57 1HG GLU 57 5.970 10.868 -0.031 448 HG3 GLU 57 2HG GLU 57 5.410 11.926 -1.324 449 H VAL 58 H VAL 58 2.439 8.270 -0.452 450 HA VAL 58 HA VAL 58 4.634 6.709 -1.307 451 HB VAL 58 HB VAL 58 1.714 5.954 -1.001 452 HG11 VAL 58 1HG1 VAL 58 2.505 3.615 -0.964 453 HG12 VAL 58 2HG1 VAL 58 4.116 4.180 -1.412 454 HG13 VAL 58 3HG1 VAL 58 2.765 4.398 -2.524 455 HG21 VAL 58 3HG2 VAL 58 2.424 4.934 1.094 456 HG22 VAL 58 1HG2 VAL 58 2.814 6.655 1.073 457 HG23 VAL 58 2HG2 VAL 58 4.082 5.458 0.799 458 H ILE 59 H ILE 59 1.468 7.260 -2.783 459 HA ILE 59 HA ILE 59 1.989 6.139 -5.284 460 HB ILE 59 HB ILE 59 0.049 8.161 -4.282 461 HG12 ILE 59 1HG1 ILE 59 -1.571 6.545 -5.282 462 HG13 ILE 59 2HG1 ILE 59 -0.207 5.543 -5.765 463 HG21 ILE 59 1HG2 ILE 59 -0.908 8.537 -6.482 464 HG22 ILE 59 2HG2 ILE 59 0.388 7.600 -7.221 465 HG23 ILE 59 3HG2 ILE 59 0.751 9.127 -6.414 466 HD11 ILE 59 3HD1 ILE 59 -1.236 4.701 -3.744 467 HD12 ILE 59 1HD1 ILE 59 -0.973 6.250 -2.943 468 HD13 ILE 59 2HD1 ILE 59 0.405 5.258 -3.418 469 H ARG 60 H ARG 60 2.650 9.404 -4.071 470 HA ARG 60 HA ARG 60 3.590 10.325 -6.604 471 HB2 ARG 60 1HB ARG 60 3.818 11.527 -3.860 472 HB3 ARG 60 2HB ARG 60 4.422 12.305 -5.317 473 HG2 ARG 60 1HG ARG 60 1.970 11.895 -6.160 474 HG3 ARG 60 2HG ARG 60 1.626 11.848 -4.430 475 HD2 ARG 60 1HD ARG 60 1.332 14.097 -5.172 476 HD3 ARG 60 2HD ARG 60 2.813 14.032 -4.214 477 HE ARG 60 HE ARG 60 2.873 13.926 -7.165 478 HH11 ARG 60 1HH1 ARG 60 3.956 15.281 -4.115 479 HH12 ARG 60 2HH1 ARG 60 5.116 16.338 -4.859 480 HH21 ARG 60 1HH2 ARG 60 4.408 15.313 -8.133 481 HH22 ARG 60 2HH2 ARG 60 5.376 16.348 -7.134 482 H ARG 61 H ARG 61 5.046 8.680 -3.944 483 HA ARG 61 HA ARG 61 7.755 9.145 -4.443 484 HB2 ARG 61 1HB ARG 61 6.966 7.815 -2.534 485 HB3 ARG 61 2HB ARG 61 6.365 6.578 -3.624 486 HG2 ARG 61 1HG ARG 61 8.348 5.690 -2.839 487 HG3 ARG 61 2HG ARG 61 8.803 6.371 -4.402 488 HD2 ARG 61 1HD ARG 61 9.634 8.386 -3.256 489 HD3 ARG 61 2HD ARG 61 9.227 7.652 -1.703 490 HE ARG 61 HE ARG 61 11.495 7.054 -3.382 491 HH11 ARG 61 1HH1 ARG 61 9.432 5.883 -0.797 492 HH12 ARG 61 2HH1 ARG 61 10.573 4.696 -0.256 493 HH21 ARG 61 1HH2 ARG 61 12.999 5.493 -2.648 494 HH22 ARG 61 2HH2 ARG 61 12.595 4.476 -1.306 495 H PHE 62 H PHE 62 5.425 6.953 -5.919 496 HA PHE 62 HA PHE 62 7.280 6.041 -7.930 497 HB2 PHE 62 1HB PHE 62 4.268 5.809 -7.810 498 HB3 PHE 62 2HB PHE 62 5.315 4.956 -8.939 499 HD1 PHE 62 HD1 PHE 62 6.905 3.245 -8.074 500 HD2 PHE 62 HD2 PHE 62 3.918 5.021 -5.625 501 HE1 PHE 62 HE1 PHE 62 7.135 1.402 -6.462 502 HE2 PHE 62 HE2 PHE 62 4.144 3.184 -4.006 503 HZ PHE 62 HZ PHE 62 5.754 1.370 -4.424 504 H GLU 63 H GLU 63 4.734 8.477 -7.749 505 HA GLU 63 HA GLU 63 4.435 9.047 -10.468 506 HB2 GLU 63 1HB GLU 63 2.918 9.863 -8.691 507 HB3 GLU 63 2HB GLU 63 4.174 10.975 -8.162 508 HG2 GLU 63 1HG GLU 63 4.097 12.084 -10.345 509 HG3 GLU 63 2HG GLU 63 2.793 11.001 -10.830 510 H ASP 64 H ASP 64 6.425 10.841 -8.089 511 HA ASP 64 HA ASP 64 7.544 12.627 -9.941 512 HB2 ASP 64 1HB ASP 64 8.292 11.731 -7.194 513 HB3 ASP 64 2HB ASP 64 9.497 12.606 -8.131 514 H ARG 65 H ARG 65 8.356 9.366 -9.122 515 HA ARG 65 HA ARG 65 10.965 9.355 -10.278 516 HB2 ARG 65 1HB ARG 65 10.295 7.747 -8.556 517 HB3 ARG 65 2HB ARG 65 9.077 7.084 -9.635 518 HG2 ARG 65 1HG ARG 65 10.807 6.297 -11.144 519 HG3 ARG 65 2HG ARG 65 12.050 7.014 -10.115 520 HD2 ARG 65 1HD ARG 65 10.140 4.812 -9.346 521 HD3 ARG 65 2HD ARG 65 11.863 4.633 -9.678 522 HE ARG 65 HE ARG 65 11.910 6.417 -7.707 523 HH11 ARG 65 1HH1 ARG 65 10.122 3.413 -7.993 524 HH12 ARG 65 2HH1 ARG 65 10.078 3.132 -6.279 525 HH21 ARG 65 1HH2 ARG 65 11.863 6.031 -5.462 526 HH22 ARG 65 2HH2 ARG 65 11.051 4.611 -4.848 527 H GLY 66 H GLY 66 7.718 8.791 -11.467 528 HA2 GLY 66 1HA GLY 66 7.195 8.948 -13.794 529 HA3 GLY 66 2HA GLY 66 8.832 8.422 -14.165 530 H ALA 67 H ALA 67 7.274 6.736 -11.658 531 HA ALA 67 HA ALA 67 6.831 4.444 -13.445 532 HB1 ALA 67 3HB ALA 67 6.995 3.051 -11.448 533 HB2 ALA 67 1HB ALA 67 7.178 4.490 -10.444 534 HB3 ALA 67 2HB ALA 67 8.426 4.068 -11.616 535 H MET 68 H MET 68 4.782 5.124 -14.171 536 HA MET 68 HA MET 68 2.816 6.012 -12.265 537 HB2 MET 68 1HB MET 68 2.416 5.459 -15.204 538 HB3 MET 68 2HB MET 68 1.388 6.428 -14.156 539 HG2 MET 68 1HG MET 68 4.112 7.063 -15.222 540 HG3 MET 68 2HG MET 68 2.616 7.978 -15.390 541 HE1 MET 68 3HE MET 68 2.179 9.387 -11.726 542 HE2 MET 68 1HE MET 68 1.536 7.863 -12.340 543 HE3 MET 68 2HE MET 68 1.477 9.314 -13.343 544 H GLU 69 H GLU 69 3.359 3.123 -14.219 545 HA GLU 69 HA GLU 69 0.953 1.809 -13.589 546 HB2 GLU 69 1HB GLU 69 3.693 0.750 -14.280 547 HB3 GLU 69 2HB GLU 69 2.306 -0.300 -14.029 548 HG2 GLU 69 1HG GLU 69 2.467 1.884 -16.092 549 HG3 GLU 69 2HG GLU 69 2.741 0.170 -16.401 550 H ARG 70 H ARG 70 4.142 1.710 -12.022 551 HA ARG 70 HA ARG 70 3.423 0.009 -9.904 552 HB2 ARG 70 1HB ARG 70 5.558 2.125 -10.134 553 HB3 ARG 70 2HB ARG 70 5.398 1.081 -8.729 554 HG2 ARG 70 1HG ARG 70 5.834 -0.869 -10.052 555 HG3 ARG 70 2HG ARG 70 5.801 0.080 -11.540 556 HD2 ARG 70 1HD ARG 70 7.771 1.308 -10.824 557 HD3 ARG 70 2HD ARG 70 7.785 0.432 -9.296 558 HE ARG 70 HE ARG 70 8.341 -1.578 -10.532 559 HH11 ARG 70 1HH1 ARG 70 8.618 1.433 -12.298 560 HH12 ARG 70 2HH1 ARG 70 9.763 0.812 -13.445 561 HH21 ARG 70 1HH2 ARG 70 9.840 -2.400 -12.039 562 HH22 ARG 70 2HH2 ARG 70 10.458 -1.378 -13.303 563 H ALA 71 H ALA 71 3.084 3.477 -10.330 564 HA ALA 71 HA ALA 71 2.415 4.148 -7.680 565 HB1 ALA 71 3HB ALA 71 3.008 5.820 -9.370 566 HB2 ALA 71 1HB ALA 71 1.454 6.183 -8.617 567 HB3 ALA 71 2HB ALA 71 1.507 5.478 -10.232 568 H ASN 72 H ASN 72 0.466 3.019 -10.403 569 HA ASN 72 HA ASN 72 -2.009 3.259 -8.954 570 HB2 ASN 72 1HB ASN 72 -1.821 3.368 -11.469 571 HB3 ASN 72 2HB ASN 72 -1.515 1.633 -11.454 572 HD21 ASN 72 2HD2 ASN 72 -3.343 1.074 -12.555 573 HD22 ASN 72 1HD2 ASN 72 -4.937 1.248 -11.898 574 H LYS 73 H LYS 73 0.290 0.683 -9.688 575 HA LYS 73 HA LYS 73 -1.077 -1.488 -8.587 576 HB2 LYS 73 1HB LYS 73 1.888 -0.885 -8.512 577 HB3 LYS 73 2HB LYS 73 1.179 -2.435 -8.089 578 HG2 LYS 73 1HG LYS 73 0.333 -2.668 -10.373 579 HG3 LYS 73 2HG LYS 73 1.060 -1.115 -10.793 580 HD2 LYS 73 1HD LYS 73 3.276 -2.039 -10.170 581 HD3 LYS 73 2HD LYS 73 2.510 -3.601 -9.881 582 HE2 LYS 73 1HE LYS 73 2.557 -2.116 -12.507 583 HE3 LYS 73 2HE LYS 73 3.575 -3.491 -12.087 584 HZ1 LYS 73 3HZ LYS 73 1.714 -4.213 -13.407 585 HZ2 LYS 73 1HZ LYS 73 0.614 -3.508 -12.329 586 HZ3 LYS 73 2HZ LYS 73 1.550 -4.830 -11.835 587 H ALA 74 H ALA 74 1.097 0.850 -7.039 588 HA ALA 74 HA ALA 74 0.869 -0.043 -4.404 589 HB1 ALA 74 3HB ALA 74 1.588 2.180 -3.748 590 HB2 ALA 74 1HB ALA 74 1.179 2.812 -5.343 591 HB3 ALA 74 2HB ALA 74 2.497 1.651 -5.164 592 H ARG 75 H ARG 75 -1.006 2.383 -6.158 593 HA ARG 75 HA ARG 75 -2.651 3.336 -4.188 594 HB2 ARG 75 1HB ARG 75 -2.516 4.155 -6.530 595 HB3 ARG 75 2HB ARG 75 -3.461 2.765 -7.042 596 HG2 ARG 75 1HG ARG 75 -5.279 3.565 -5.509 597 HG3 ARG 75 2HG ARG 75 -4.339 5.044 -5.292 598 HD2 ARG 75 1HD ARG 75 -5.520 3.968 -7.845 599 HD3 ARG 75 2HD ARG 75 -5.954 5.451 -6.994 600 HE ARG 75 HE ARG 75 -3.284 5.702 -7.606 601 HH11 ARG 75 1HH1 ARG 75 -6.228 5.198 -9.439 602 HH12 ARG 75 2HH1 ARG 75 -5.664 6.081 -10.829 603 HH21 ARG 75 1HH2 ARG 75 -2.534 6.842 -9.453 604 HH22 ARG 75 2HH2 ARG 75 -3.565 6.996 -10.835 605 H ARG 76 H ARG 76 -3.513 0.646 -6.401 606 HA ARG 76 HA ARG 76 -5.955 0.239 -4.939 607 HB2 ARG 76 1HB ARG 76 -4.802 -1.460 -7.151 608 HB3 ARG 76 2HB ARG 76 -6.458 -1.494 -6.558 609 HG2 ARG 76 1HG ARG 76 -6.459 1.023 -7.224 610 HG3 ARG 76 2HG ARG 76 -5.089 0.558 -8.233 611 HD2 ARG 76 1HD ARG 76 -7.916 -0.456 -8.344 612 HD3 ARG 76 2HD ARG 76 -7.009 0.382 -9.600 613 HE ARG 76 HE ARG 76 -6.421 -2.371 -8.703 614 HH11 ARG 76 1HH1 ARG 76 -6.640 0.061 -11.216 615 HH12 ARG 76 2HH1 ARG 76 -6.191 -1.035 -12.493 616 HH21 ARG 76 1HH2 ARG 76 -5.851 -3.810 -10.362 617 HH22 ARG 76 2HH2 ARG 76 -5.747 -3.252 -12.005 618 H ARG 77 H ARG 77 -2.785 -1.250 -4.945 619 HA ARG 77 HA ARG 77 -3.741 -3.596 -3.581 620 HB2 ARG 77 1HB ARG 77 -1.032 -2.637 -4.395 621 HB3 ARG 77 2HB ARG 77 -1.182 -3.938 -3.214 622 HG2 ARG 77 1HG ARG 77 -2.558 -5.201 -4.814 623 HG3 ARG 77 2HG ARG 77 -2.326 -3.916 -5.999 624 HD2 ARG 77 1HD ARG 77 -0.014 -4.359 -6.166 625 HD3 ARG 77 2HD ARG 77 -0.031 -5.379 -4.726 626 HE ARG 77 HE ARG 77 -1.509 -6.902 -6.109 627 HH11 ARG 77 1HH1 ARG 77 0.841 -4.771 -7.583 628 HH12 ARG 77 2HH1 ARG 77 1.136 -5.810 -8.940 629 HH21 ARG 77 1HH2 ARG 77 -1.106 -8.303 -7.882 630 HH22 ARG 77 2HH2 ARG 77 0.057 -7.840 -9.088 631 H CYS 78 H CYS 78 -2.350 -0.509 -2.605 632 HA CYS 78 HA CYS 78 -2.123 -1.157 0.140 633 HB2 CYS 78 1HB CYS 78 -2.762 1.486 -1.190 634 HB3 CYS 78 2HB CYS 78 -2.435 1.300 0.529 635 HG CYS 78 HG CYS 78 -0.274 0.977 -2.080 636 H GLY 79 H GLY 79 -4.782 0.068 -1.844 637 HA2 GLY 79 1HA GLY 79 -6.791 0.169 0.082 638 HA3 GLY 79 2HA GLY 79 -7.047 -0.179 -1.621 639 H GLU 80 H GLU 80 -5.493 -2.593 -1.686 640 HA GLU 80 HA GLU 80 -7.421 -4.468 -0.806 641 HB2 GLU 80 1HB GLU 80 -5.855 -4.813 -2.733 642 HB3 GLU 80 2HB GLU 80 -4.549 -5.023 -1.574 643 HG2 GLU 80 1HG GLU 80 -5.648 -6.969 -0.643 644 HG3 GLU 80 2HG GLU 80 -7.014 -6.742 -1.733 645 H VAL 81 H VAL 81 -4.271 -3.463 0.482 646 HA VAL 81 HA VAL 81 -4.194 -5.245 2.662 647 HB VAL 81 HB VAL 81 -3.017 -2.459 2.510 648 HG11 VAL 81 1HG1 VAL 81 -2.307 -4.789 4.288 649 HG12 VAL 81 2HG1 VAL 81 -3.111 -3.303 4.794 650 HG13 VAL 81 3HG1 VAL 81 -1.447 -3.251 4.210 651 HG21 VAL 81 3HG2 VAL 81 -1.802 -5.128 1.799 652 HG22 VAL 81 1HG2 VAL 81 -0.950 -3.585 1.825 653 HG23 VAL 81 2HG2 VAL 81 -2.253 -3.852 0.667 654 H PHE 82 H PHE 82 -5.448 -1.926 2.390 655 HA PHE 82 HA PHE 82 -6.411 -1.640 4.999 656 HB2 PHE 82 1HB PHE 82 -7.461 -0.517 2.394 657 HB3 PHE 82 2HB PHE 82 -8.088 -0.048 3.968 658 HD1 PHE 82 HD2 PHE 82 -5.911 0.433 5.653 659 HD2 PHE 82 HD1 PHE 82 -6.156 1.107 1.465 660 HE1 PHE 82 HE2 PHE 82 -4.170 2.163 5.833 661 HE2 PHE 82 HE1 PHE 82 -4.420 2.839 1.633 662 HZ PHE 82 HZ PHE 82 -3.423 3.368 3.820 663 H ARG 83 H ARG 83 -8.069 -2.819 2.099 664 HA ARG 83 HA ARG 83 -10.523 -3.474 3.228 665 HB2 ARG 83 1HB ARG 83 -10.446 -3.469 0.902 666 HB3 ARG 83 2HB ARG 83 -8.981 -4.433 0.847 667 HG2 ARG 83 1HG ARG 83 -10.200 -6.422 1.400 668 HG3 ARG 83 2HG ARG 83 -11.677 -5.490 1.663 669 HD2 ARG 83 1HD ARG 83 -11.365 -6.726 -0.586 670 HD3 ARG 83 2HD ARG 83 -11.968 -5.070 -0.600 671 HE ARG 83 HE ARG 83 -9.406 -4.596 -0.929 672 HH11 ARG 83 1HH1 ARG 83 -11.271 -7.186 -2.363 673 HH12 ARG 83 2HH1 ARG 83 -10.397 -7.151 -3.866 674 HH21 ARG 83 1HH2 ARG 83 -8.233 -4.576 -2.884 675 HH22 ARG 83 2HH2 ARG 83 -8.642 -5.685 -4.149 676 H TYR 84 H TYR 84 -7.544 -5.366 3.030 677 HA TYR 84 HA TYR 84 -8.620 -7.768 4.045 678 HB2 TYR 84 1HB TYR 84 -6.379 -7.469 2.877 679 HB3 TYR 84 2HB TYR 84 -5.765 -6.840 4.403 680 HD1 TYR 84 HD2 TYR 84 -7.526 -9.801 2.997 681 HD2 TYR 84 HD1 TYR 84 -4.832 -8.325 5.944 682 HE1 TYR 84 HE2 TYR 84 -7.094 -12.100 3.740 683 HE2 TYR 84 HE1 TYR 84 -4.393 -10.629 6.696 684 HH TYR 84 HH TYR 84 -5.488 -12.829 6.649 685 H ALA 85 H ALA 85 -6.777 -5.184 5.691 686 HA ALA 85 HA ALA 85 -6.946 -6.151 8.273 687 HB1 ALA 85 3HB ALA 85 -6.571 -3.868 9.011 688 HB2 ALA 85 1HB ALA 85 -7.007 -3.266 7.413 689 HB3 ALA 85 2HB ALA 85 -5.560 -4.253 7.619 690 H ILE 86 H ILE 86 -9.401 -4.522 6.379 691 HA ILE 86 HA ILE 86 -11.185 -3.952 8.497 692 HB ILE 86 HB ILE 86 -11.738 -4.432 5.566 693 HG12 ILE 86 1HG1 ILE 86 -11.587 -1.882 7.192 694 HG13 ILE 86 2HG1 ILE 86 -10.321 -2.474 6.123 695 HG21 ILE 86 1HG2 ILE 86 -13.747 -4.895 6.859 696 HG22 ILE 86 2HG2 ILE 86 -13.922 -3.381 5.970 697 HG23 ILE 86 3HG2 ILE 86 -13.580 -3.353 7.700 698 HD11 ILE 86 3HD1 ILE 86 -11.823 -2.240 4.217 699 HD12 ILE 86 1HD1 ILE 86 -11.610 -0.712 5.072 700 HD13 ILE 86 2HD1 ILE 86 -13.091 -1.646 5.291 701 H VAL 87 H VAL 87 -11.067 -6.720 6.221 702 HA VAL 87 HA VAL 87 -13.109 -8.137 7.645 703 HB VAL 87 HB VAL 87 -12.520 -10.076 6.238 704 HG11 VAL 87 1HG1 VAL 87 -14.087 -8.417 5.406 705 HG12 VAL 87 2HG1 VAL 87 -13.120 -9.075 4.085 706 HG13 VAL 87 3HG1 VAL 87 -12.755 -7.476 4.735 707 HG21 VAL 87 3HG2 VAL 87 -10.114 -9.764 6.078 708 HG22 VAL 87 1HG2 VAL 87 -10.354 -8.294 5.133 709 HG23 VAL 87 2HG2 VAL 87 -10.838 -9.856 4.473 710 H THR 88 H THR 88 -9.681 -7.884 7.850 711 HA THR 88 HA THR 88 -9.108 -10.063 9.542 712 HB THR 88 HB THR 88 -7.804 -7.366 9.146 713 HG1 THR 88 HG1 THR 88 -7.593 -9.892 8.006 714 HG21 THR 88 3HG2 THR 88 -5.840 -8.212 10.294 715 HG22 THR 88 1HG2 THR 88 -6.700 -9.700 10.706 716 HG23 THR 88 2HG2 THR 88 -7.225 -8.157 11.384 717 H GLY 89 H GLY 89 -10.444 -6.873 10.126 718 HA2 GLY 89 1HA GLY 89 -11.815 -6.367 11.981 719 HA3 GLY 89 2HA GLY 89 -11.068 -7.691 12.865 720 H ARG 90 H ARG 90 -9.002 -5.534 11.154 721 HA ARG 90 HA ARG 90 -8.301 -4.229 13.701 722 HB2 ARG 90 1HB ARG 90 -6.531 -5.223 11.477 723 HB3 ARG 90 2HB ARG 90 -5.973 -4.023 12.636 724 HG2 ARG 90 1HG ARG 90 -6.318 -5.554 14.462 725 HG3 ARG 90 2HG ARG 90 -7.031 -6.743 13.373 726 HD2 ARG 90 1HD ARG 90 -4.929 -7.024 12.230 727 HD3 ARG 90 2HD ARG 90 -4.200 -5.725 13.176 728 HE ARG 90 HE ARG 90 -4.468 -7.162 15.146 729 HH11 ARG 90 1HH1 ARG 90 -4.662 -8.677 11.997 730 HH12 ARG 90 2HH1 ARG 90 -4.172 -10.238 12.565 731 HH21 ARG 90 1HH2 ARG 90 -3.779 -9.214 15.903 732 HH22 ARG 90 2HH2 ARG 90 -3.631 -10.538 14.784 733 H ALA 91 H ALA 91 -9.749 -3.683 10.847 734 HA ALA 91 HA ALA 91 -9.213 -0.820 11.081 735 HB1 ALA 91 3HB ALA 91 -9.060 -0.536 8.661 736 HB2 ALA 91 1HB ALA 91 -9.174 -2.281 8.441 737 HB3 ALA 91 2HB ALA 91 -7.774 -1.585 9.255 738 H LYS 92 H LYS 92 -11.014 0.394 10.902 739 HA LYS 92 HA LYS 92 -13.522 -1.006 10.317 740 HB2 LYS 92 1HB LYS 92 -13.265 0.213 12.490 741 HB3 LYS 92 2HB LYS 92 -13.115 1.712 11.584 742 HG2 LYS 92 1HG LYS 92 -15.359 1.449 10.716 743 HG3 LYS 92 2HG LYS 92 -15.515 -0.104 11.541 744 HD2 LYS 92 1HD LYS 92 -15.186 1.064 13.702 745 HD3 LYS 92 2HD LYS 92 -15.161 2.597 12.831 746 HE2 LYS 92 1HE LYS 92 -17.425 2.194 12.030 747 HE3 LYS 92 2HE LYS 92 -17.454 0.640 12.860 748 HZ1 LYS 92 3HZ LYS 92 -17.251 3.318 14.132 749 HZ2 LYS 92 1HZ LYS 92 -17.169 1.843 14.967 750 HZ3 LYS 92 2HZ LYS 92 -18.595 2.280 14.163 751 H TYR 93 H TYR 93 -11.707 1.916 9.517 752 HA TYR 93 HA TYR 93 -12.897 1.824 6.856 753 HB2 TYR 93 1HB TYR 93 -13.297 4.190 6.761 754 HB3 TYR 93 2HB TYR 93 -14.110 3.574 8.191 755 HD1 TYR 93 HD1 TYR 93 -13.261 4.136 10.437 756 HD2 TYR 93 HD2 TYR 93 -11.455 5.725 6.929 757 HE1 TYR 93 HE1 TYR 93 -12.128 5.844 11.797 758 HE2 TYR 93 HE2 TYR 93 -10.317 7.433 8.277 759 HH TYR 93 HH TYR 93 -10.446 8.519 10.370 760 H ASN 94 H ASN 94 -11.569 3.479 5.427 761 HA ASN 94 HA ASN 94 -8.752 3.260 6.213 762 HB2 ASN 94 1HB ASN 94 -8.225 2.578 3.854 763 HB3 ASN 94 2HB ASN 94 -9.108 1.376 4.783 764 HD21 ASN 94 2HD2 ASN 94 -9.941 0.337 3.024 765 HD22 ASN 94 1HD2 ASN 94 -11.140 1.027 1.993 766 HA PRO 95 HA PRO 95 -8.434 7.364 4.546 767 HB2 PRO 95 1HB PRO 95 -5.659 6.959 3.823 768 HB3 PRO 95 2HB PRO 95 -6.324 7.868 5.181 769 HG2 PRO 95 1HG PRO 95 -4.922 5.546 5.468 770 HG3 PRO 95 2HG PRO 95 -6.158 6.094 6.615 771 HD2 PRO 95 1HD PRO 95 -6.373 4.061 4.423 772 HD3 PRO 95 2HD PRO 95 -7.033 4.015 6.073 773 H ALA 96 H ALA 96 -8.895 4.940 2.625 774 HA ALA 96 HA ALA 96 -7.563 5.567 0.209 775 HB1 ALA 96 3HB ALA 96 -9.160 4.085 -0.876 776 HB2 ALA 96 1HB ALA 96 -10.153 4.071 0.581 777 HB3 ALA 96 2HB ALA 96 -8.536 3.366 0.608 778 HA PRO 97 HA PRO 97 -11.714 8.082 -0.815 779 HB2 PRO 97 1HB PRO 97 -12.566 9.305 1.546 780 HB3 PRO 97 2HB PRO 97 -13.390 7.985 0.712 781 HG2 PRO 97 1HG PRO 97 -11.541 7.890 3.054 782 HG3 PRO 97 2HG PRO 97 -12.997 6.929 2.730 783 HD2 PRO 97 1HD PRO 97 -10.563 5.890 2.394 784 HD3 PRO 97 2HD PRO 97 -11.879 5.509 1.262 785 H ASP 98 H ASP 98 -9.521 8.817 1.861 786 HA ASP 98 HA ASP 98 -9.300 11.599 1.179 787 HB2 ASP 98 1HB ASP 98 -7.643 9.878 3.037 788 HB3 ASP 98 2HB ASP 98 -7.498 11.627 2.890 789 H LEU 99 H LEU 99 -7.521 8.663 0.516 790 HA LEU 99 HA LEU 99 -5.278 9.747 -0.763 791 HB2 LEU 99 1HB LEU 99 -5.536 7.361 -0.186 792 HB3 LEU 99 2HB LEU 99 -6.805 7.203 -1.376 793 HG LEU 99 HG LEU 99 -4.515 6.271 -1.984 794 HD11 LEU 99 1HD1 LEU 99 -6.248 6.578 -3.647 795 HD12 LEU 99 2HD1 LEU 99 -4.663 6.974 -4.312 796 HD13 LEU 99 3HD1 LEU 99 -5.773 8.265 -3.853 797 HD21 LEU 99 3HD2 LEU 99 -3.901 9.201 -2.324 798 HD22 LEU 99 1HD2 LEU 99 -2.895 7.867 -2.890 799 HD23 LEU 99 2HD2 LEU 99 -3.156 8.104 -1.162 800 H ALA 100 H ALA 100 -8.431 8.764 -2.079 801 HA ALA 100 HA ALA 100 -8.004 9.660 -4.710 802 HB1 ALA 100 3HB ALA 100 -10.611 9.448 -3.206 803 HB2 ALA 100 1HB ALA 100 -9.825 8.143 -4.095 804 HB3 ALA 100 2HB ALA 100 -10.430 9.558 -4.958 805 H ASP 101 H ASP 101 -9.202 11.280 -1.835 806 HA ASP 101 HA ASP 101 -10.040 13.693 -2.972 807 HB2 ASP 101 1HB ASP 101 -10.554 13.105 -0.666 808 HB3 ASP 101 2HB ASP 101 -8.846 13.147 -0.247 809 H ALA 102 H ALA 102 -6.929 12.899 -1.476 810 HA ALA 102 HA ALA 102 -5.703 15.371 -2.057 811 HB1 ALA 102 3HB ALA 102 -4.394 12.703 -1.541 812 HB2 ALA 102 1HB ALA 102 -4.898 13.857 -0.307 813 HB3 ALA 102 2HB ALA 102 -3.615 14.282 -1.441 814 H MET 103 H MET 103 -5.706 12.265 -3.738 815 HA MET 103 HA MET 103 -3.853 12.937 -5.750 816 HB2 MET 103 1HB MET 103 -4.505 10.632 -5.251 817 HB3 MET 103 2HB MET 103 -6.137 10.960 -5.815 818 HG2 MET 103 1HG MET 103 -5.320 11.316 -8.064 819 HG3 MET 103 2HG MET 103 -3.658 11.091 -7.516 820 HE1 MET 103 3HE MET 103 -3.592 7.350 -6.489 821 HE2 MET 103 1HE MET 103 -3.982 8.706 -5.431 822 HE3 MET 103 2HE MET 103 -2.691 8.860 -6.620 823 H LYS 104 H LYS 104 -7.285 13.508 -5.422 824 HA LYS 104 HA LYS 104 -7.872 14.245 -8.067 825 HB2 LYS 104 1HB LYS 104 -9.632 13.818 -6.476 826 HB3 LYS 104 2HB LYS 104 -9.076 15.121 -5.439 827 HG2 LYS 104 1HG LYS 104 -9.788 16.770 -7.013 828 HG3 LYS 104 2HG LYS 104 -10.149 15.533 -8.221 829 HD2 LYS 104 1HD LYS 104 -11.957 14.683 -6.932 830 HD3 LYS 104 2HD LYS 104 -11.491 15.641 -5.527 831 HE2 LYS 104 1HE LYS 104 -12.405 16.806 -8.152 832 HE3 LYS 104 2HE LYS 104 -13.463 16.527 -6.770 833 HZ1 LYS 104 3HZ LYS 104 -11.776 17.953 -5.504 834 HZ2 LYS 104 1HZ LYS 104 -12.840 18.737 -6.566 835 HZ3 LYS 104 2HZ LYS 104 -11.240 18.454 -7.031 836 H GLY 105 H GLY 105 -6.551 16.065 -5.361 837 HA2 GLY 105 1HA GLY 105 -6.564 18.597 -6.677 838 HA3 GLY 105 2HA GLY 105 -5.638 18.179 -5.242 839 H TYR 106 H TYR 106 -4.222 15.982 -6.402 840 HA TYR 106 HA TYR 106 -2.174 17.495 -7.780 841 HB2 TYR 106 1HB TYR 106 -2.286 14.687 -6.695 842 HB3 TYR 106 2HB TYR 106 -0.928 15.267 -7.653 843 HD1 TYR 106 HD2 TYR 106 0.583 16.964 -6.761 844 HD2 TYR 106 HD1 TYR 106 -2.633 15.453 -4.427 845 HE1 TYR 106 HE2 TYR 106 1.620 17.901 -4.739 846 HE2 TYR 106 HE1 TYR 106 -1.606 16.385 -2.397 847 HH TYR 106 HH TYR 106 0.671 17.047 -1.628 848 H ARG 107 H ARG 107 -4.888 16.047 -8.848 849 HA ARG 107 HA ARG 107 -3.790 14.722 -11.170 850 HB2 ARG 107 1HB ARG 107 -6.071 14.280 -9.940 851 HB3 ARG 107 2HB ARG 107 -6.655 15.581 -10.969 852 HG2 ARG 107 1HG ARG 107 -5.415 14.064 -12.807 853 HG3 ARG 107 2HG ARG 107 -5.893 12.820 -11.650 854 HD2 ARG 107 1HD ARG 107 -7.673 13.001 -13.195 855 HD3 ARG 107 2HD ARG 107 -8.211 13.821 -11.727 856 HE ARG 107 HE ARG 107 -6.964 15.563 -13.645 857 HH11 ARG 107 1HH1 ARG 107 -9.987 14.115 -12.626 858 HH12 ARG 107 2HH1 ARG 107 -10.965 15.305 -13.441 859 HH21 ARG 107 1HH2 ARG 107 -8.225 17.113 -14.695 860 HH22 ARG 107 2HH2 ARG 107 -9.958 17.017 -14.616 861 H LYS 108 H LYS 108 -4.724 17.873 -10.242 862 HA LYS 108 HA LYS 108 -4.857 18.845 -12.985 863 HB2 LYS 108 1HB LYS 108 -6.518 19.624 -11.266 864 HB3 LYS 108 2HB LYS 108 -5.193 20.387 -10.401 865 HG2 LYS 108 1HG LYS 108 -4.822 21.934 -12.167 866 HG3 LYS 108 2HG LYS 108 -5.915 21.060 -13.243 867 HD2 LYS 108 1HD LYS 108 -7.792 21.600 -11.763 868 HD3 LYS 108 2HD LYS 108 -6.696 22.480 -10.696 869 HE2 LYS 108 1HE LYS 108 -6.234 24.096 -12.402 870 HE3 LYS 108 2HE LYS 108 -7.124 23.157 -13.601 871 HZ1 LYS 108 3HZ LYS 108 -8.408 25.039 -12.751 872 HZ2 LYS 108 1HZ LYS 108 -8.324 24.403 -11.182 873 HZ3 LYS 108 2HZ LYS 108 -9.154 23.563 -12.399 874 H LYS 109 H LYS 109 -2.646 18.076 -13.145 875 HA LYS 109 HA LYS 109 -0.540 19.259 -11.636 876 HB2 LYS 109 1HB LYS 109 -0.386 17.748 -14.244 877 HB3 LYS 109 2HB LYS 109 0.944 18.054 -13.137 878 HG2 LYS 109 1HG LYS 109 -0.218 16.721 -11.420 879 HG3 LYS 109 2HG LYS 109 -1.483 16.360 -12.596 880 HD2 LYS 109 1HD LYS 109 0.176 15.292 -14.046 881 HD3 LYS 109 2HD LYS 109 1.438 15.656 -12.868 882 HE2 LYS 109 1HE LYS 109 -0.932 13.831 -12.509 883 HE3 LYS 109 2HE LYS 109 0.769 13.375 -12.577 884 HZ1 LYS 109 3HZ LYS 109 0.255 13.367 -10.319 885 HZ2 LYS 109 1HZ LYS 109 -0.664 14.794 -10.417 886 HZ3 LYS 109 2HZ LYS 109 1.020 14.863 -10.545 887 H ASN 110 H ASN 110 -2.253 20.253 -14.444 888 HA ASN 110 HA ASN 110 -0.180 21.926 -15.493 889 HB2 ASN 110 1HB ASN 110 -3.150 21.811 -15.998 890 HB3 ASN 110 2HB ASN 110 -2.109 23.012 -16.760 891 HD21 ASN 110 2HD2 ASN 110 -3.651 20.949 -18.037 892 HD22 ASN 110 1HD2 ASN 110 -2.524 19.938 -18.883 893 H LEU 111 H LEU 111 -2.275 22.143 -12.853 894 HA LEU 111 HA LEU 111 -2.022 25.035 -12.630 895 HB2 LEU 111 1HB LEU 111 -4.099 23.915 -11.885 896 HB3 LEU 111 2HB LEU 111 -3.175 23.005 -10.706 897 HG LEU 111 HG LEU 111 -2.561 25.160 -9.604 898 HD11 LEU 111 1HD1 LEU 111 -4.592 26.311 -11.511 899 HD12 LEU 111 2HD1 LEU 111 -2.859 26.636 -11.520 900 HD13 LEU 111 3HD1 LEU 111 -3.847 27.159 -10.156 901 HD21 LEU 111 3HD2 LEU 111 -5.514 24.602 -9.854 902 HD22 LEU 111 1HD2 LEU 111 -4.735 25.496 -8.548 903 HD23 LEU 111 2HD2 LEU 111 -4.393 23.780 -8.768 904 H GLU 112 H GLU 112 -0.315 25.950 -11.686 905 HA GLU 112 HA GLU 112 1.819 24.337 -10.705 906 HB2 GLU 112 1HB GLU 112 1.528 27.339 -10.533 907 HB3 GLU 112 2HB GLU 112 3.021 26.413 -10.442 908 HG2 GLU 112 1HG GLU 112 2.691 25.676 -12.757 909 HG3 GLU 112 2HG GLU 112 1.223 26.646 -12.842 910 H HIS 113 H HIS 113 1.584 23.335 -8.818 911 HA HIS 113 HA HIS 113 0.066 24.560 -6.671 912 HB2 HIS 113 1HB HIS 113 1.376 21.862 -6.984 913 HB3 HIS 113 2HB HIS 113 0.667 22.389 -5.462 914 HD1 HIS 113 HD1 HIS 113 -1.890 22.457 -5.295 915 HD2 HIS 113 HD2 HIS 113 -0.473 21.271 -9.028 916 HE1 HIS 113 HE1 HIS 113 -3.888 21.547 -6.528 917 HE2 HIS 113 HE2 HIS 113 -3.036 20.979 -8.830 918 H HIS 114 H HIS 114 0.847 25.518 -4.928 919 HA HIS 114 HA HIS 114 3.662 25.145 -4.214 920 HB2 HIS 114 1HB HIS 114 3.703 27.222 -5.392 921 HB3 HIS 114 2HB HIS 114 2.234 27.778 -4.600 922 HD1 HIS 114 HD1 HIS 114 5.861 27.010 -3.733 923 HD2 HIS 114 HD2 HIS 114 2.655 29.288 -2.385 924 HE1 HIS 114 HE1 HIS 114 6.775 28.433 -1.870 925 HE2 HIS 114 HE2 HIS 114 4.769 29.656 -0.949 926 H HIS 115 H HIS 115 3.578 24.214 -2.297 927 HA HIS 115 HA HIS 115 1.436 24.617 -0.427 928 HB2 HIS 115 1HB HIS 115 4.146 23.300 -0.086 929 HB3 HIS 115 2HB HIS 115 2.867 23.275 1.117 930 HD1 HIS 115 HD1 HIS 115 3.092 20.643 0.901 931 HD2 HIS 115 HD2 HIS 115 1.593 22.595 -2.450 932 HE1 HIS 115 HE1 HIS 115 2.077 18.847 -0.532 933 HE2 HIS 115 HE2 HIS 115 1.425 20.022 -2.658 934 H HIS 116 H HIS 116 1.633 25.622 1.665 935 HA HIS 116 HA HIS 116 3.354 27.942 1.636 936 HB2 HIS 116 1HB HIS 116 0.959 27.844 2.557 937 HB3 HIS 116 2HB HIS 116 1.654 27.041 3.960 938 HD1 HIS 116 HD1 HIS 116 2.254 28.570 5.801 939 HD2 HIS 116 HD2 HIS 116 2.311 30.497 2.115 940 HE1 HIS 116 HE1 HIS 116 2.788 30.978 6.300 941 HE2 HIS 116 HE2 HIS 116 2.609 32.152 4.080 942 H HIS 117 H HIS 117 3.656 24.751 2.595 943 HA HIS 117 HA HIS 117 5.831 25.370 4.472 944 HB2 HIS 117 1HB HIS 117 4.314 22.810 3.945 945 HB3 HIS 117 2HB HIS 117 5.770 22.874 4.931 946 HD1 HIS 117 HD1 HIS 117 5.498 23.534 7.336 947 HD2 HIS 117 HD2 HIS 117 2.083 24.266 5.075 948 HE1 HIS 117 HE1 HIS 117 3.698 24.132 8.993 949 HE2 HIS 117 HE2 HIS 117 1.606 24.423 7.611 950 H HIS 118 H HIS 118 5.367 24.900 1.275 951 HA HIS 118 HA HIS 118 8.136 24.189 0.839 952 HB2 HIS 118 1HB HIS 118 5.859 22.453 -0.061 953 HB3 HIS 118 2HB HIS 118 7.304 22.579 -1.056 954 HD1 HIS 118 HD1 HIS 118 9.535 22.401 0.941 955 HD2 HIS 118 HD2 HIS 118 6.083 20.097 1.223 956 HE1 HIS 118 HE1 HIS 118 10.180 20.370 2.279 957 HE2 HIS 118 HE2 HIS 118 8.129 18.900 2.258 Start of MODEL 14 1 H1 SER 1 1H SER 1 3.482 -3.519 21.332 2 H2 SER 1 2H SER 1 3.639 -4.347 19.860 3 H3 SER 1 3H SER 1 4.233 -5.039 21.289 4 HA SER 1 HA SER 1 2.050 -5.295 22.167 5 HB2 SER 1 1HB SER 1 1.135 -3.227 21.113 6 HB3 SER 1 2HB SER 1 1.116 -4.061 19.560 7 HG SER 1 HG SER 1 -0.925 -4.159 20.538 8 H SER 2 H SER 2 0.676 -7.111 21.589 9 HA SER 2 HA SER 2 2.019 -9.037 19.967 10 HB2 SER 2 1HB SER 2 -0.769 -9.172 21.146 11 HB3 SER 2 2HB SER 2 0.204 -10.535 20.593 12 HG SER 2 HG SER 2 1.792 -9.728 22.224 13 H ASN 3 H ASN 3 -1.230 -7.563 19.710 14 HA ASN 3 HA ASN 3 -1.252 -8.149 16.856 15 HB2 ASN 3 1HB ASN 3 -3.343 -6.899 18.654 16 HB3 ASN 3 2HB ASN 3 -3.553 -7.157 16.925 17 HD21 ASN 3 2HD2 ASN 3 -5.058 -8.234 19.174 18 HD22 ASN 3 1HD2 ASN 3 -4.959 -9.955 19.039 19 H ASN 4 H ASN 4 0.458 -6.791 16.241 20 HA ASN 4 HA ASN 4 0.348 -3.969 16.754 21 HB2 ASN 4 1HB ASN 4 2.503 -5.073 16.532 22 HB3 ASN 4 2HB ASN 4 2.100 -5.597 14.902 23 HD21 ASN 4 2HD2 ASN 4 4.057 -4.558 14.258 24 HD22 ASN 4 1HD2 ASN 4 4.086 -2.842 14.015 25 H ASN 5 H ASN 5 -0.721 -2.489 15.653 26 HA ASN 5 HA ASN 5 -2.164 -3.333 13.250 27 HB2 ASN 5 1HB ASN 5 -2.499 -1.020 15.151 28 HB3 ASN 5 2HB ASN 5 -3.337 -1.072 13.607 29 HD21 ASN 5 2HD2 ASN 5 -2.695 -3.916 15.558 30 HD22 ASN 5 1HD2 ASN 5 -4.346 -4.213 15.992 31 H SER 6 H SER 6 0.762 -2.115 13.730 32 HA SER 6 HA SER 6 0.863 0.123 12.009 33 HB2 SER 6 1HB SER 6 3.032 -1.884 12.659 34 HB3 SER 6 2HB SER 6 3.284 -0.312 11.900 35 HG SER 6 HG SER 6 2.422 -0.890 14.538 36 H PHE 7 H PHE 7 1.405 0.292 9.847 37 HA PHE 7 HA PHE 7 0.155 -1.500 8.132 38 HB2 PHE 7 1HB PHE 7 0.712 0.909 7.655 39 HB3 PHE 7 2HB PHE 7 2.369 0.404 7.347 40 HD1 PHE 7 HD1 PHE 7 -1.074 0.343 6.124 41 HD2 PHE 7 HD2 PHE 7 2.948 -0.810 5.337 42 HE1 PHE 7 HE1 PHE 7 -1.670 -0.116 3.782 43 HE2 PHE 7 HE2 PHE 7 2.359 -1.276 2.994 44 HZ PHE 7 HZ PHE 7 0.048 -0.928 2.214 45 H SER 8 H SER 8 3.589 -1.198 8.945 46 HA SER 8 HA SER 8 4.697 -3.005 7.175 47 HB2 SER 8 1HB SER 8 6.028 -1.580 8.664 48 HB3 SER 8 2HB SER 8 5.481 -2.507 10.057 49 HG SER 8 HG SER 8 6.863 -3.693 7.882 50 H ALA 9 H ALA 9 3.021 -3.639 10.206 51 HA ALA 9 HA ALA 9 3.772 -6.380 10.402 52 HB1 ALA 9 3HB ALA 9 3.133 -5.116 12.368 53 HB2 ALA 9 1HB ALA 9 2.040 -6.485 12.152 54 HB3 ALA 9 2HB ALA 9 1.518 -4.857 11.706 55 H ILE 10 H ILE 10 0.789 -4.737 9.397 56 HA ILE 10 HA ILE 10 -0.579 -7.144 8.736 57 HB ILE 10 HB ILE 10 -1.161 -4.304 7.873 58 HG12 ILE 10 1HG1 ILE 10 -2.360 -5.956 10.105 59 HG13 ILE 10 2HG1 ILE 10 -1.125 -4.724 10.335 60 HG21 ILE 10 1HG2 ILE 10 -2.920 -6.756 7.812 61 HG22 ILE 10 2HG2 ILE 10 -2.247 -5.925 6.410 62 HG23 ILE 10 3HG2 ILE 10 -3.434 -5.114 7.430 63 HD11 ILE 10 3HD1 ILE 10 -2.658 -3.023 9.521 64 HD12 ILE 10 1HD1 ILE 10 -3.343 -3.897 10.890 65 HD13 ILE 10 2HD1 ILE 10 -3.892 -4.254 9.252 66 H TYR 11 H TYR 11 1.258 -4.767 6.871 67 HA TYR 11 HA TYR 11 0.857 -5.775 4.308 68 HB2 TYR 11 1HB TYR 11 1.991 -3.697 4.535 69 HB3 TYR 11 2HB TYR 11 3.229 -4.401 5.569 70 HD1 TYR 11 HD1 TYR 11 1.848 -4.797 2.116 71 HD2 TYR 11 HD2 TYR 11 5.276 -4.875 4.633 72 HE1 TYR 11 HE1 TYR 11 3.275 -5.191 0.154 73 HE2 TYR 11 HE2 TYR 11 6.710 -5.268 2.677 74 HH TYR 11 HH TYR 11 6.608 -6.044 0.451 75 H LYS 12 H LYS 12 3.166 -6.804 6.810 76 HA LYS 12 HA LYS 12 4.522 -8.647 5.147 77 HB2 LYS 12 1HB LYS 12 5.498 -7.834 7.255 78 HB3 LYS 12 2HB LYS 12 4.257 -8.697 8.159 79 HG2 LYS 12 1HG LYS 12 5.077 -10.817 7.329 80 HG3 LYS 12 2HG LYS 12 6.273 -9.990 6.330 81 HD2 LYS 12 1HD LYS 12 7.299 -9.078 8.386 82 HD3 LYS 12 2HD LYS 12 6.140 -10.002 9.342 83 HE2 LYS 12 1HE LYS 12 8.111 -11.190 7.391 84 HE3 LYS 12 2HE LYS 12 8.342 -11.117 9.138 85 HZ1 LYS 12 3HZ LYS 12 6.278 -12.652 7.654 86 HZ2 LYS 12 1HZ LYS 12 6.237 -12.429 9.334 87 HZ3 LYS 12 2HZ LYS 12 7.529 -13.260 8.617 88 H GLU 13 H GLU 13 1.794 -9.013 7.396 89 HA GLU 13 HA GLU 13 1.508 -11.799 7.084 90 HB2 GLU 13 1HB GLU 13 0.426 -10.464 8.882 91 HB3 GLU 13 2HB GLU 13 -0.661 -9.777 7.683 92 HG2 GLU 13 1HG GLU 13 -1.518 -12.028 7.197 93 HG3 GLU 13 2HG GLU 13 -0.463 -12.680 8.450 94 H TRP 14 H TRP 14 0.001 -9.070 5.406 95 HA TRP 14 HA TRP 14 -1.591 -10.520 3.621 96 HB2 TRP 14 1HB TRP 14 -1.936 -8.166 3.876 97 HB3 TRP 14 2HB TRP 14 -0.278 -7.808 3.415 98 HD1 TRP 14 HD1 TRP 14 -3.564 -9.093 1.812 99 HE1 TRP 14 HE1 TRP 14 -3.542 -8.423 -0.684 100 HE3 TRP 14 HE3 TRP 14 1.128 -7.098 1.559 101 HZ2 TRP 14 HZ2 TRP 14 -1.761 -7.211 -2.499 102 HZ3 TRP 14 HZ3 TRP 14 1.916 -6.200 -0.584 103 HH2 TRP 14 HH2 TRP 14 0.503 -6.256 -2.576 104 H TYR 15 H TYR 15 1.704 -9.232 3.196 105 HA TYR 15 HA TYR 15 2.168 -10.278 0.642 106 HB2 TYR 15 1HB TYR 15 3.708 -8.660 1.349 107 HB3 TYR 15 2HB TYR 15 3.990 -9.463 2.890 108 HD1 TYR 15 HD1 TYR 15 4.355 -10.227 -0.762 109 HD2 TYR 15 HD2 TYR 15 6.013 -10.519 3.144 110 HE1 TYR 15 HE1 TYR 15 6.335 -11.352 -1.692 111 HE2 TYR 15 HE2 TYR 15 7.998 -11.640 2.229 112 HH TYR 15 HH TYR 15 8.706 -11.715 -1.082 113 H GLU 16 H GLU 16 2.883 -11.667 3.836 114 HA GLU 16 HA GLU 16 4.229 -13.950 2.881 115 HB2 GLU 16 1HB GLU 16 4.189 -12.972 5.245 116 HB3 GLU 16 2HB GLU 16 2.658 -13.809 5.449 117 HG2 GLU 16 1HG GLU 16 3.752 -15.942 5.042 118 HG3 GLU 16 2HG GLU 16 5.288 -15.110 4.793 119 H HIS 17 H HIS 17 0.845 -13.283 3.538 120 HA HIS 17 HA HIS 17 -0.077 -15.950 3.135 121 HB2 HIS 17 1HB HIS 17 -1.315 -14.182 4.398 122 HB3 HIS 17 2HB HIS 17 -1.620 -13.357 2.875 123 HD1 HIS 17 HD1 HIS 17 -2.507 -16.506 4.743 124 HD2 HIS 17 HD2 HIS 17 -3.760 -14.319 1.432 125 HE1 HIS 17 HE1 HIS 17 -4.692 -17.536 4.032 126 HE2 HIS 17 HE2 HIS 17 -5.537 -16.042 2.183 127 H LYS 18 H LYS 18 0.123 -13.063 1.071 128 HA LYS 18 HA LYS 18 -1.007 -14.363 -1.214 129 HB2 LYS 18 1HB LYS 18 0.261 -11.733 -0.662 130 HB3 LYS 18 2HB LYS 18 0.225 -12.277 -2.333 131 HG2 LYS 18 1HG LYS 18 -2.171 -11.963 -0.532 132 HG3 LYS 18 2HG LYS 18 -1.681 -10.854 -1.817 133 HD2 LYS 18 1HD LYS 18 -1.806 -12.946 -3.336 134 HD3 LYS 18 2HD LYS 18 -2.769 -13.638 -2.030 135 HE2 LYS 18 1HE LYS 18 -3.365 -11.067 -3.487 136 HE3 LYS 18 2HE LYS 18 -4.158 -12.614 -3.772 137 HZ1 LYS 18 3HZ LYS 18 -5.020 -12.563 -1.527 138 HZ2 LYS 18 1HZ LYS 18 -5.471 -11.158 -2.361 139 HZ3 LYS 18 2HZ LYS 18 -4.225 -11.100 -1.218 140 H LYS 19 H LYS 19 2.111 -14.265 0.173 141 HA LYS 19 HA LYS 19 3.704 -14.782 -2.097 142 HB2 LYS 19 1HB LYS 19 4.550 -14.065 0.133 143 HB3 LYS 19 2HB LYS 19 4.142 -15.646 0.774 144 HG2 LYS 19 1HG LYS 19 5.802 -16.697 -0.608 145 HG3 LYS 19 2HG LYS 19 6.130 -15.172 -1.438 146 HD2 LYS 19 1HD LYS 19 6.872 -14.191 0.691 147 HD3 LYS 19 2HD LYS 19 6.578 -15.733 1.494 148 HE2 LYS 19 1HE LYS 19 8.478 -15.415 -0.819 149 HE3 LYS 19 2HE LYS 19 8.972 -15.247 0.864 150 HZ1 LYS 19 3HZ LYS 19 8.130 -17.529 1.240 151 HZ2 LYS 19 1HZ LYS 19 9.428 -17.458 0.147 152 HZ3 LYS 19 2HZ LYS 19 7.849 -17.674 -0.431 153 H GLN 20 H GLN 20 1.465 -16.681 -0.343 154 HA GLN 20 HA GLN 20 2.500 -19.231 -1.276 155 HB2 GLN 20 1HB GLN 20 -0.124 -18.666 0.114 156 HB3 GLN 20 2HB GLN 20 0.687 -20.219 -0.039 157 HG2 GLN 20 1HG GLN 20 2.499 -19.424 1.383 158 HG3 GLN 20 2HG GLN 20 1.702 -17.856 1.528 159 HE21 GLN 20 2HE2 GLN 20 2.419 -19.729 3.617 160 HE22 GLN 20 1HE2 GLN 20 0.949 -20.150 4.423 161 H VAL 21 H VAL 21 0.705 -16.752 -2.555 162 HA VAL 21 HA VAL 21 -1.025 -18.503 -4.151 163 HB VAL 21 HB VAL 21 -1.156 -15.501 -3.829 164 HG11 VAL 21 1HG1 VAL 21 -2.059 -16.237 -5.965 165 HG12 VAL 21 2HG1 VAL 21 -3.354 -15.695 -4.897 166 HG13 VAL 21 3HG1 VAL 21 -3.079 -17.419 -5.143 167 HG21 VAL 21 3HG2 VAL 21 -1.699 -16.633 -1.746 168 HG22 VAL 21 1HG2 VAL 21 -2.855 -17.664 -2.588 169 HG23 VAL 21 2HG2 VAL 21 -3.149 -15.929 -2.462 170 H TRP 22 H TRP 22 1.222 -15.786 -4.482 171 HA TRP 22 HA TRP 22 1.210 -16.031 -7.375 172 HB2 TRP 22 1HB TRP 22 2.945 -14.249 -5.660 173 HB3 TRP 22 2HB TRP 22 2.648 -14.093 -7.385 174 HD1 TRP 22 HD1 TRP 22 -0.560 -14.336 -7.293 175 HE1 TRP 22 HE1 TRP 22 -1.921 -12.362 -6.345 176 HE3 TRP 22 HE3 TRP 22 3.111 -12.082 -4.548 177 HZ2 TRP 22 HZ2 TRP 22 -1.473 -10.127 -4.668 178 HZ3 TRP 22 HZ3 TRP 22 2.572 -10.032 -3.307 179 HH2 TRP 22 HH2 TRP 22 0.326 -9.071 -3.367 180 H SER 23 H SER 23 3.404 -15.978 -8.497 181 HA SER 23 HA SER 23 5.087 -18.111 -7.543 182 HB2 SER 23 1HB SER 23 5.491 -16.185 -9.850 183 HB3 SER 23 2HB SER 23 6.407 -17.667 -9.566 184 HG SER 23 HG SER 23 4.479 -18.845 -9.851 185 H VAL 24 H VAL 24 7.379 -17.846 -7.063 186 HA VAL 24 HA VAL 24 7.726 -15.872 -5.092 187 HB VAL 24 HB VAL 24 8.873 -18.087 -5.109 188 HG11 VAL 24 1HG1 VAL 24 10.668 -16.783 -7.147 189 HG12 VAL 24 2HG1 VAL 24 9.600 -18.160 -7.416 190 HG13 VAL 24 3HG1 VAL 24 10.984 -18.317 -6.335 191 HG21 VAL 24 3HG2 VAL 24 9.569 -16.354 -3.569 192 HG22 VAL 24 1HG2 VAL 24 10.643 -15.668 -4.788 193 HG23 VAL 24 2HG2 VAL 24 10.970 -17.269 -4.125 194 H GLY 25 H GLY 25 8.628 -15.934 -8.477 195 HA2 GLY 25 1HA GLY 25 10.463 -13.787 -8.449 196 HA3 GLY 25 2HA GLY 25 9.541 -14.328 -9.845 197 H TYR 26 H TYR 26 7.055 -13.795 -9.457 198 HA TYR 26 HA TYR 26 6.718 -11.038 -9.639 199 HB2 TYR 26 1HB TYR 26 5.090 -12.636 -10.529 200 HB3 TYR 26 2HB TYR 26 4.689 -13.162 -8.899 201 HD1 TYR 26 HD1 TYR 26 3.313 -11.776 -7.447 202 HD2 TYR 26 HD2 TYR 26 4.275 -10.511 -11.391 203 HE1 TYR 26 HE1 TYR 26 1.558 -10.062 -7.318 204 HE2 TYR 26 HE2 TYR 26 2.522 -8.788 -11.272 205 HH TYR 26 HH TYR 26 0.229 -8.591 -9.823 206 H ALA 27 H ALA 27 6.330 -13.214 -6.880 207 HA ALA 27 HA ALA 27 5.239 -11.369 -5.075 208 HB1 ALA 27 3HB ALA 27 6.980 -13.750 -4.453 209 HB2 ALA 27 1HB ALA 27 5.235 -13.793 -4.710 210 HB3 ALA 27 2HB ALA 27 5.903 -12.919 -3.330 211 H THR 28 H THR 28 8.635 -12.243 -5.698 212 HA THR 28 HA THR 28 9.769 -10.601 -3.707 213 HB THR 28 HB THR 28 11.000 -11.436 -6.347 214 HG1 THR 28 HG1 THR 28 10.371 -13.256 -5.157 215 HG21 THR 28 3HG2 THR 28 12.241 -9.634 -5.254 216 HG22 THR 28 1HG2 THR 28 13.145 -11.147 -5.184 217 HG23 THR 28 2HG2 THR 28 12.290 -10.562 -3.755 218 H GLU 29 H GLU 29 9.096 -10.027 -7.135 219 HA GLU 29 HA GLU 29 10.199 -7.477 -7.378 220 HB2 GLU 29 1HB GLU 29 9.485 -8.869 -9.274 221 HB3 GLU 29 2HB GLU 29 7.807 -8.664 -8.798 222 HG2 GLU 29 1HG GLU 29 8.329 -7.226 -10.652 223 HG3 GLU 29 2HG GLU 29 7.986 -6.263 -9.218 224 H LEU 30 H LEU 30 6.842 -8.417 -6.693 225 HA LEU 30 HA LEU 30 5.847 -5.794 -6.421 226 HB2 LEU 30 1HB LEU 30 4.474 -7.818 -6.851 227 HB3 LEU 30 2HB LEU 30 4.785 -8.353 -5.213 228 HG LEU 30 HG LEU 30 3.485 -5.692 -5.645 229 HD11 LEU 30 1HD1 LEU 30 1.294 -6.772 -5.653 230 HD12 LEU 30 2HD1 LEU 30 2.071 -8.354 -5.727 231 HD13 LEU 30 3HD1 LEU 30 2.236 -7.225 -7.073 232 HD21 LEU 30 3HD2 LEU 30 2.396 -6.261 -3.530 233 HD22 LEU 30 1HD2 LEU 30 4.152 -6.344 -3.386 234 HD23 LEU 30 2HD2 LEU 30 3.207 -7.827 -3.529 235 H ALA 31 H ALA 31 7.083 -8.126 -4.071 236 HA ALA 31 HA ALA 31 6.395 -6.660 -1.768 237 HB1 ALA 31 3HB ALA 31 7.953 -8.123 -0.586 238 HB2 ALA 31 1HB ALA 31 8.583 -8.697 -2.130 239 HB3 ALA 31 2HB ALA 31 6.911 -9.032 -1.680 240 H LYS 32 H LYS 32 9.376 -6.716 -3.723 241 HA LYS 32 HA LYS 32 10.855 -5.188 -1.871 242 HB2 LYS 32 1HB LYS 32 12.020 -6.479 -3.565 243 HB3 LYS 32 2HB LYS 32 11.313 -5.489 -4.839 244 HG2 LYS 32 1HG LYS 32 12.542 -3.583 -4.186 245 HG3 LYS 32 2HG LYS 32 13.018 -4.321 -2.659 246 HD2 LYS 32 1HD LYS 32 14.380 -5.947 -3.872 247 HD3 LYS 32 2HD LYS 32 13.894 -5.215 -5.403 248 HE2 LYS 32 1HE LYS 32 16.128 -4.476 -4.619 249 HE3 LYS 32 2HE LYS 32 14.984 -3.153 -4.830 250 HZ1 LYS 32 3HZ LYS 32 14.809 -2.824 -2.568 251 HZ2 LYS 32 1HZ LYS 32 16.441 -3.255 -2.716 252 HZ3 LYS 32 2HZ LYS 32 15.310 -4.397 -2.175 253 H MET 33 H MET 33 9.193 -4.171 -4.887 254 HA MET 33 HA MET 33 9.923 -1.472 -4.659 255 HB2 MET 33 1HB MET 33 8.143 -0.970 -6.230 256 HB3 MET 33 2HB MET 33 8.979 -2.434 -6.720 257 HG2 MET 33 1HG MET 33 7.165 -3.789 -5.846 258 HG3 MET 33 2HG MET 33 6.338 -2.339 -5.281 259 HE1 MET 33 3HE MET 33 4.116 -2.947 -6.526 260 HE2 MET 33 1HE MET 33 4.855 -4.460 -7.051 261 HE3 MET 33 2HE MET 33 4.037 -3.426 -8.223 262 H PHE 34 H PHE 34 7.186 -3.230 -3.313 263 HA PHE 34 HA PHE 34 5.805 -0.992 -2.265 264 HB2 PHE 34 1HB PHE 34 5.493 -3.826 -2.318 265 HB3 PHE 34 2HB PHE 34 5.368 -3.306 -0.641 266 HD1 PHE 34 HD1 PHE 34 4.090 -2.466 -4.035 267 HD2 PHE 34 HD2 PHE 34 3.348 -2.550 0.156 268 HE1 PHE 34 HE1 PHE 34 1.770 -1.754 -4.434 269 HE2 PHE 34 HE2 PHE 34 1.027 -1.837 -0.237 270 HZ PHE 34 HZ PHE 34 0.237 -1.438 -2.535 271 H ASP 35 H ASP 35 7.905 -3.404 -0.665 272 HA ASP 35 HA ASP 35 7.946 -2.140 1.843 273 HB2 ASP 35 1HB ASP 35 8.580 -4.442 1.678 274 HB3 ASP 35 2HB ASP 35 9.868 -4.070 0.539 275 H ASP 36 H ASP 36 10.205 -1.972 -0.864 276 HA ASP 36 HA ASP 36 12.279 -0.594 0.384 277 HB2 ASP 36 1HB ASP 36 12.086 -1.737 -1.968 278 HB3 ASP 36 2HB ASP 36 11.634 -0.126 -2.504 279 H ASP 37 H ASP 37 9.454 0.682 -1.364 280 HA ASP 37 HA ASP 37 10.411 3.397 -0.810 281 HB2 ASP 37 1HB ASP 37 8.422 2.282 -2.761 282 HB3 ASP 37 2HB ASP 37 8.436 3.999 -2.371 283 H ILE 38 H ILE 38 7.567 1.349 -0.259 284 HA ILE 38 HA ILE 38 6.024 3.555 0.748 285 HB ILE 38 HB ILE 38 5.385 0.604 0.766 286 HG12 ILE 38 1HG1 ILE 38 4.745 2.789 -1.225 287 HG13 ILE 38 2HG1 ILE 38 5.779 1.395 -1.494 288 HG21 ILE 38 1HG2 ILE 38 4.031 1.859 2.359 289 HG22 ILE 38 2HG2 ILE 38 3.057 1.315 0.994 290 HG23 ILE 38 3HG2 ILE 38 3.577 2.999 1.091 291 HD11 ILE 38 3HD1 ILE 38 3.622 1.115 -2.558 292 HD12 ILE 38 1HD1 ILE 38 2.814 1.321 -1.004 293 HD13 ILE 38 2HD1 ILE 38 3.852 -0.079 -1.280 294 H LEU 39 H LEU 39 7.872 0.922 2.189 295 HA LEU 39 HA LEU 39 6.724 0.995 4.747 296 HB2 LEU 39 1HB LEU 39 9.242 -0.039 3.609 297 HB3 LEU 39 2HB LEU 39 9.239 0.246 5.337 298 HG LEU 39 HG LEU 39 8.645 -2.105 4.543 299 HD11 LEU 39 1HD1 LEU 39 7.003 -2.405 6.293 300 HD12 LEU 39 2HD1 LEU 39 6.669 -0.675 6.308 301 HD13 LEU 39 3HD1 LEU 39 8.248 -1.272 6.818 302 HD21 LEU 39 3HD2 LEU 39 6.034 -0.738 3.892 303 HD22 LEU 39 1HD2 LEU 39 6.318 -2.481 3.911 304 HD23 LEU 39 2HD2 LEU 39 7.138 -1.466 2.723 305 HA PRO 40 HA PRO 40 10.129 4.284 5.976 306 HB2 PRO 40 1HB PRO 40 10.549 5.558 3.331 307 HB3 PRO 40 2HB PRO 40 11.712 5.225 4.620 308 HG2 PRO 40 1HG PRO 40 11.700 3.771 2.391 309 HG3 PRO 40 2HG PRO 40 11.997 3.016 3.968 310 HD2 PRO 40 1HD PRO 40 9.503 3.034 2.312 311 HD3 PRO 40 2HD PRO 40 10.226 1.706 3.244 312 H ILE 41 H ILE 41 7.507 4.545 3.737 313 HA ILE 41 HA ILE 41 7.036 7.353 4.372 314 HB ILE 41 HB ILE 41 5.480 5.515 2.544 315 HG12 ILE 41 1HG1 ILE 41 7.471 7.709 1.915 316 HG13 ILE 41 2HG1 ILE 41 7.778 5.982 1.770 317 HG21 ILE 41 1HG2 ILE 41 4.418 7.563 1.716 318 HG22 ILE 41 2HG2 ILE 41 5.297 8.507 2.921 319 HG23 ILE 41 3HG2 ILE 41 4.096 7.323 3.434 320 HD11 ILE 41 3HD1 ILE 41 7.313 6.992 -0.388 321 HD12 ILE 41 1HD1 ILE 41 5.745 7.547 0.198 322 HD13 ILE 41 2HD1 ILE 41 6.068 5.820 0.043 323 H ILE 42 H ILE 42 5.084 4.337 4.472 324 HA ILE 42 HA ILE 42 3.684 5.493 6.803 325 HB ILE 42 HB ILE 42 1.594 4.459 6.084 326 HG12 ILE 42 1HG1 ILE 42 2.767 3.934 3.377 327 HG13 ILE 42 2HG1 ILE 42 2.917 2.724 4.650 328 HG21 ILE 42 1HG2 ILE 42 1.940 6.758 5.486 329 HG22 ILE 42 2HG2 ILE 42 1.095 5.940 4.171 330 HG23 ILE 42 3HG2 ILE 42 2.820 6.290 4.032 331 HD11 ILE 42 3HD1 ILE 42 0.995 2.274 3.258 332 HD12 ILE 42 1HD1 ILE 42 0.350 3.881 3.599 333 HD13 ILE 42 2HD1 ILE 42 0.495 2.695 4.898 334 H GLY 43 H GLY 43 5.714 3.142 5.954 335 HA2 GLY 43 1HA GLY 43 4.499 0.730 6.732 336 HA3 GLY 43 2HA GLY 43 6.227 1.050 6.741 337 H GLY 44 H GLY 44 6.112 3.222 8.610 338 HA2 GLY 44 1HA GLY 44 5.916 1.633 11.042 339 HA3 GLY 44 2HA GLY 44 6.665 3.216 10.885 340 H LEU 45 H LEU 45 3.672 3.270 9.371 341 HA LEU 45 HA LEU 45 2.549 4.688 11.675 342 HB2 LEU 45 1HB LEU 45 1.710 4.597 8.776 343 HB3 LEU 45 2HB LEU 45 0.862 5.494 10.021 344 HG LEU 45 HG LEU 45 3.719 6.002 9.181 345 HD11 LEU 45 1HD1 LEU 45 2.829 8.029 8.137 346 HD12 LEU 45 2HD1 LEU 45 1.191 7.513 8.538 347 HD13 LEU 45 3HD1 LEU 45 2.158 6.572 7.401 348 HD21 LEU 45 3HD2 LEU 45 3.278 6.613 11.500 349 HD22 LEU 45 1HD2 LEU 45 1.863 7.538 10.997 350 HD23 LEU 45 2HD2 LEU 45 3.476 8.052 10.500 351 H GLU 46 H GLU 46 0.506 4.210 12.501 352 HA GLU 46 HA GLU 46 -0.283 1.456 12.268 353 HB2 GLU 46 1HB GLU 46 -1.624 3.737 13.735 354 HB3 GLU 46 2HB GLU 46 -2.008 2.028 13.917 355 HG2 GLU 46 1HG GLU 46 0.381 1.683 14.636 356 HG3 GLU 46 2HG GLU 46 0.527 3.437 14.697 357 H ILE 47 H ILE 47 -1.904 0.623 11.103 358 HA ILE 47 HA ILE 47 -2.555 1.966 8.741 359 HB ILE 47 HB ILE 47 -2.423 -0.533 9.120 360 HG12 ILE 47 1HG1 ILE 47 -4.899 0.414 7.669 361 HG13 ILE 47 2HG1 ILE 47 -3.267 0.582 7.034 362 HG21 ILE 47 1HG2 ILE 47 -4.493 -1.688 9.733 363 HG22 ILE 47 2HG2 ILE 47 -5.257 -0.135 10.071 364 HG23 ILE 47 3HG2 ILE 47 -3.896 -0.679 11.052 365 HD11 ILE 47 3HD1 ILE 47 -4.684 -1.997 7.657 366 HD12 ILE 47 1HD1 ILE 47 -3.021 -1.859 7.086 367 HD13 ILE 47 2HD1 ILE 47 -4.353 -1.332 6.057 368 H GLN 48 H GLN 48 -4.139 2.008 11.783 369 HA GLN 48 HA GLN 48 -6.736 2.724 10.798 370 HB2 GLN 48 1HB GLN 48 -5.583 3.047 13.572 371 HB3 GLN 48 2HB GLN 48 -7.280 3.166 13.138 372 HG2 GLN 48 1HG GLN 48 -7.243 0.799 12.457 373 HG3 GLN 48 2HG GLN 48 -5.560 0.702 12.976 374 HE21 GLN 48 2HE2 GLN 48 -7.835 -0.792 13.962 375 HE22 GLN 48 1HE2 GLN 48 -7.962 -0.436 15.658 376 H ASP 49 H ASP 49 -3.808 4.427 11.599 377 HA ASP 49 HA ASP 49 -5.300 6.959 11.733 378 HB2 ASP 49 1HB ASP 49 -2.690 6.142 12.985 379 HB3 ASP 49 2HB ASP 49 -3.177 7.829 12.853 380 H ILE 50 H ILE 50 -3.838 5.316 9.452 381 HA ILE 50 HA ILE 50 -1.928 7.140 8.420 382 HB ILE 50 HB ILE 50 -3.559 5.042 6.978 383 HG12 ILE 50 1HG1 ILE 50 -0.726 5.038 8.039 384 HG13 ILE 50 2HG1 ILE 50 -2.083 4.151 8.723 385 HG21 ILE 50 1HG2 ILE 50 -2.766 6.751 5.419 386 HG22 ILE 50 2HG2 ILE 50 -1.896 5.234 5.184 387 HG23 ILE 50 3HG2 ILE 50 -1.126 6.569 6.042 388 HD11 ILE 50 3HD1 ILE 50 -0.614 2.717 7.419 389 HD12 ILE 50 1HD1 ILE 50 -0.899 3.717 5.995 390 HD13 ILE 50 2HD1 ILE 50 -2.227 2.804 6.711 391 H GLU 51 H GLU 51 -2.198 9.005 7.420 392 HA GLU 51 HA GLU 51 -4.896 9.986 7.013 393 HB2 GLU 51 1HB GLU 51 -3.804 12.172 6.640 394 HB3 GLU 51 2HB GLU 51 -3.345 11.445 8.172 395 HG2 GLU 51 1HG GLU 51 -1.190 11.013 7.477 396 HG3 GLU 51 2HG GLU 51 -1.625 11.041 5.768 397 HA PRO 52 HA PRO 52 -5.305 9.555 2.682 398 HB2 PRO 52 1HB PRO 52 -6.034 12.133 1.941 399 HB3 PRO 52 2HB PRO 52 -7.133 10.890 2.548 400 HG2 PRO 52 1HG PRO 52 -5.835 13.152 4.004 401 HG3 PRO 52 2HG PRO 52 -7.477 12.502 4.172 402 HD2 PRO 52 1HD PRO 52 -5.577 11.932 5.962 403 HD3 PRO 52 2HD PRO 52 -6.767 10.709 5.468 404 H MET 53 H MET 53 -3.541 12.528 3.598 405 HA MET 53 HA MET 53 -2.321 12.700 0.996 406 HB2 MET 53 1HB MET 53 -1.896 14.283 3.526 407 HB3 MET 53 2HB MET 53 -1.014 14.588 2.036 408 HG2 MET 53 1HG MET 53 -3.196 14.961 0.902 409 HG3 MET 53 2HG MET 53 -3.980 14.827 2.474 410 HE1 MET 53 3HE MET 53 -5.108 17.204 2.100 411 HE2 MET 53 1HE MET 53 -4.316 17.333 0.530 412 HE3 MET 53 2HE MET 53 -4.204 18.661 1.685 413 H GLN 54 H GLN 54 -1.600 11.048 3.887 414 HA GLN 54 HA GLN 54 1.243 10.877 3.343 415 HB2 GLN 54 1HB GLN 54 0.164 10.791 5.671 416 HB3 GLN 54 2HB GLN 54 -0.291 9.140 5.269 417 HG2 GLN 54 1HG GLN 54 1.755 9.216 6.581 418 HG3 GLN 54 2HG GLN 54 2.035 8.545 4.975 419 HE21 GLN 54 2HE2 GLN 54 4.223 9.022 5.088 420 HE22 GLN 54 1HE2 GLN 54 4.815 10.636 4.888 421 H LEU 55 H LEU 55 -1.647 8.865 3.044 422 HA LEU 55 HA LEU 55 -0.315 6.673 1.818 423 HB2 LEU 55 1HB LEU 55 -2.613 6.584 2.807 424 HB3 LEU 55 2HB LEU 55 -3.187 7.546 1.460 425 HG LEU 55 HG LEU 55 -2.593 5.752 -0.099 426 HD11 LEU 55 1HD1 LEU 55 -1.870 3.576 0.739 427 HD12 LEU 55 2HD1 LEU 55 -1.780 4.230 2.376 428 HD13 LEU 55 3HD1 LEU 55 -0.691 4.832 1.123 429 HD21 LEU 55 3HD2 LEU 55 -4.831 5.780 0.886 430 HD22 LEU 55 1HD2 LEU 55 -4.256 4.793 2.231 431 HD23 LEU 55 2HD2 LEU 55 -4.281 4.129 0.597 432 H LEU 56 H LEU 56 -1.720 9.685 0.689 433 HA LEU 56 HA LEU 56 -1.313 9.221 -2.076 434 HB2 LEU 56 1HB LEU 56 -2.799 10.994 -1.223 435 HB3 LEU 56 2HB LEU 56 -1.405 11.847 -0.587 436 HG LEU 56 HG LEU 56 -0.543 12.012 -2.939 437 HD11 LEU 56 1HD1 LEU 56 -3.299 11.075 -3.653 438 HD12 LEU 56 2HD1 LEU 56 -1.803 10.173 -3.894 439 HD13 LEU 56 3HD1 LEU 56 -2.075 11.679 -4.770 440 HD21 LEU 56 3HD2 LEU 56 -3.199 13.291 -2.369 441 HD22 LEU 56 1HD2 LEU 56 -2.028 13.833 -3.570 442 HD23 LEU 56 2HD2 LEU 56 -1.620 13.889 -1.856 443 H GLU 57 H GLU 57 0.760 10.231 0.533 444 HA GLU 57 HA GLU 57 2.883 11.280 -1.006 445 HB2 GLU 57 1HB GLU 57 2.612 11.525 1.483 446 HB3 GLU 57 2HB GLU 57 3.088 9.842 1.647 447 HG2 GLU 57 1HG GLU 57 5.272 10.262 1.179 448 HG3 GLU 57 2HG GLU 57 4.903 11.655 0.161 449 H VAL 58 H VAL 58 2.038 8.047 0.078 450 HA VAL 58 HA VAL 58 4.218 6.630 -0.954 451 HB VAL 58 HB VAL 58 1.317 5.872 -0.594 452 HG11 VAL 58 1HG1 VAL 58 2.056 3.515 -0.917 453 HG12 VAL 58 2HG1 VAL 58 3.586 4.134 -1.537 454 HG13 VAL 58 3HG1 VAL 58 2.084 4.486 -2.388 455 HG21 VAL 58 3HG2 VAL 58 3.820 5.058 0.878 456 HG22 VAL 58 1HG2 VAL 58 2.173 4.558 1.265 457 HG23 VAL 58 2HG2 VAL 58 2.641 6.251 1.429 458 H ILE 59 H ILE 59 1.105 7.435 -2.503 459 HA ILE 59 HA ILE 59 1.827 6.276 -5.000 460 HB ILE 59 HB ILE 59 -0.237 8.424 -4.579 461 HG12 ILE 59 1HG1 ILE 59 -0.675 6.629 -2.999 462 HG13 ILE 59 2HG1 ILE 59 -1.867 6.595 -4.292 463 HG21 ILE 59 1HG2 ILE 59 0.291 8.027 -6.900 464 HG22 ILE 59 2HG2 ILE 59 -1.313 7.394 -6.534 465 HG23 ILE 59 3HG2 ILE 59 0.056 6.293 -6.679 466 HD11 ILE 59 3HD1 ILE 59 -1.118 4.363 -3.681 467 HD12 ILE 59 1HD1 ILE 59 0.541 4.806 -4.082 468 HD13 ILE 59 2HD1 ILE 59 -0.690 4.754 -5.346 469 H ARG 60 H ARG 60 1.973 9.567 -3.706 470 HA ARG 60 HA ARG 60 2.930 10.920 -5.945 471 HB2 ARG 60 1HB ARG 60 2.275 12.072 -3.894 472 HB3 ARG 60 2HB ARG 60 3.610 11.332 -3.024 473 HG2 ARG 60 1HG ARG 60 5.209 12.579 -4.281 474 HG3 ARG 60 2HG ARG 60 3.958 13.185 -5.367 475 HD2 ARG 60 1HD ARG 60 4.518 14.918 -3.815 476 HD3 ARG 60 2HD ARG 60 2.905 14.326 -3.435 477 HE ARG 60 HE ARG 60 3.791 13.268 -1.491 478 HH11 ARG 60 1HH1 ARG 60 6.075 15.311 -3.185 479 HH12 ARG 60 2HH1 ARG 60 7.108 15.534 -1.804 480 HH21 ARG 60 1HH2 ARG 60 5.145 13.590 0.353 481 HH22 ARG 60 2HH2 ARG 60 6.585 14.549 0.191 482 H ARG 61 H ARG 61 4.597 8.915 -3.590 483 HA ARG 61 HA ARG 61 7.231 9.325 -4.414 484 HB2 ARG 61 1HB ARG 61 6.705 8.118 -2.374 485 HB3 ARG 61 2HB ARG 61 5.898 6.852 -3.291 486 HG2 ARG 61 1HG ARG 61 8.064 6.085 -2.591 487 HG3 ARG 61 2HG ARG 61 8.053 6.284 -4.345 488 HD2 ARG 61 1HD ARG 61 9.026 8.598 -3.917 489 HD3 ARG 61 2HD ARG 61 9.316 8.044 -2.268 490 HE ARG 61 HE ARG 61 10.476 6.097 -3.690 491 HH11 ARG 61 1HH1 ARG 61 10.670 9.589 -3.995 492 HH12 ARG 61 2HH1 ARG 61 12.293 9.571 -4.621 493 HH21 ARG 61 1HH2 ARG 61 12.607 6.075 -4.540 494 HH22 ARG 61 2HH2 ARG 61 13.375 7.580 -4.961 495 H PHE 62 H PHE 62 4.829 6.950 -5.536 496 HA PHE 62 HA PHE 62 6.554 5.817 -7.493 497 HB2 PHE 62 1HB PHE 62 3.592 5.661 -7.016 498 HB3 PHE 62 2HB PHE 62 4.327 4.920 -8.433 499 HD1 PHE 62 HD1 PHE 62 4.096 4.829 -4.772 500 HD2 PHE 62 HD2 PHE 62 5.664 2.947 -8.251 501 HE1 PHE 62 HE1 PHE 62 4.656 2.839 -3.438 502 HE2 PHE 62 HE2 PHE 62 6.225 0.953 -6.924 503 HZ PHE 62 HZ PHE 62 5.722 0.897 -4.514 504 H GLU 63 H GLU 63 4.220 8.453 -7.552 505 HA GLU 63 HA GLU 63 4.223 8.868 -10.350 506 HB2 GLU 63 1HB GLU 63 2.575 9.949 -8.890 507 HB3 GLU 63 2HB GLU 63 3.853 10.880 -8.118 508 HG2 GLU 63 1HG GLU 63 4.349 11.897 -10.342 509 HG3 GLU 63 2HG GLU 63 2.919 11.082 -10.970 510 H ASP 64 H ASP 64 6.173 10.229 -7.738 511 HA ASP 64 HA ASP 64 7.815 11.869 -9.349 512 HB2 ASP 64 1HB ASP 64 7.580 12.189 -6.932 513 HB3 ASP 64 2HB ASP 64 8.353 10.637 -6.635 514 H ARG 65 H ARG 65 7.890 8.496 -8.552 515 HA ARG 65 HA ARG 65 10.494 7.850 -9.410 516 HB2 ARG 65 1HB ARG 65 7.914 6.352 -9.203 517 HB3 ARG 65 2HB ARG 65 9.261 5.617 -10.053 518 HG2 ARG 65 1HG ARG 65 10.621 5.748 -8.042 519 HG3 ARG 65 2HG ARG 65 9.281 6.520 -7.181 520 HD2 ARG 65 1HD ARG 65 7.981 4.599 -7.219 521 HD3 ARG 65 2HD ARG 65 8.870 3.908 -8.572 522 HE ARG 65 HE ARG 65 9.768 3.971 -5.769 523 HH11 ARG 65 1HH1 ARG 65 10.134 2.845 -9.066 524 HH12 ARG 65 2HH1 ARG 65 11.118 1.476 -8.633 525 HH21 ARG 65 1HH2 ARG 65 11.055 2.151 -5.183 526 HH22 ARG 65 2HH2 ARG 65 11.656 1.102 -6.437 527 H GLY 66 H GLY 66 7.499 8.436 -11.157 528 HA2 GLY 66 1HA GLY 66 7.341 8.777 -13.502 529 HA3 GLY 66 2HA GLY 66 8.889 7.955 -13.700 530 H ALA 67 H ALA 67 7.315 6.202 -11.500 531 HA ALA 67 HA ALA 67 6.456 4.209 -13.438 532 HB1 ALA 67 3HB ALA 67 7.884 3.486 -11.587 533 HB2 ALA 67 1HB ALA 67 6.302 2.711 -11.498 534 HB3 ALA 67 2HB ALA 67 6.686 4.060 -10.427 535 H MET 68 H MET 68 4.665 5.613 -14.099 536 HA MET 68 HA MET 68 2.664 6.418 -12.249 537 HB2 MET 68 1HB MET 68 2.380 6.171 -15.246 538 HB3 MET 68 2HB MET 68 1.419 7.173 -14.169 539 HG2 MET 68 1HG MET 68 4.303 7.532 -14.932 540 HG3 MET 68 2HG MET 68 2.944 8.589 -15.305 541 HE1 MET 68 3HE MET 68 1.423 8.509 -12.427 542 HE2 MET 68 1HE MET 68 1.606 9.966 -13.404 543 HE3 MET 68 2HE MET 68 2.081 9.977 -11.706 544 H GLU 69 H GLU 69 3.019 3.698 -14.437 545 HA GLU 69 HA GLU 69 0.378 2.711 -14.150 546 HB2 GLU 69 1HB GLU 69 2.935 1.312 -14.949 547 HB3 GLU 69 2HB GLU 69 1.321 0.627 -15.118 548 HG2 GLU 69 1HG GLU 69 0.712 2.153 -16.769 549 HG3 GLU 69 2HG GLU 69 2.025 3.256 -16.361 550 H ARG 70 H ARG 70 3.415 2.061 -12.451 551 HA ARG 70 HA ARG 70 2.185 0.142 -10.701 552 HB2 ARG 70 1HB ARG 70 4.884 1.484 -10.665 553 HB3 ARG 70 2HB ARG 70 4.360 0.370 -9.408 554 HG2 ARG 70 1HG ARG 70 3.949 -1.309 -11.253 555 HG3 ARG 70 2HG ARG 70 4.813 -0.204 -12.319 556 HD2 ARG 70 1HD ARG 70 5.964 -1.281 -9.758 557 HD3 ARG 70 2HD ARG 70 6.186 -2.059 -11.321 558 HE ARG 70 HE ARG 70 7.007 0.533 -11.685 559 HH11 ARG 70 1HH1 ARG 70 7.852 -2.074 -9.521 560 HH12 ARG 70 2HH1 ARG 70 9.538 -1.663 -9.450 561 HH21 ARG 70 1HH2 ARG 70 9.244 1.118 -11.578 562 HH22 ARG 70 2HH2 ARG 70 10.319 0.176 -10.593 563 H ALA 71 H ALA 71 2.415 3.562 -10.787 564 HA ALA 71 HA ALA 71 2.034 4.086 -8.021 565 HB1 ALA 71 3HB ALA 71 2.756 5.820 -9.608 566 HB2 ALA 71 1HB ALA 71 1.313 6.306 -8.716 567 HB3 ALA 71 2HB ALA 71 1.174 5.755 -10.385 568 H ASN 72 H ASN 72 -0.196 3.732 -10.751 569 HA ASN 72 HA ASN 72 -2.578 3.943 -9.251 570 HB2 ASN 72 1HB ASN 72 -1.960 2.630 -11.899 571 HB3 ASN 72 2HB ASN 72 -3.580 2.641 -11.211 572 HD21 ASN 72 2HD2 ASN 72 -1.042 4.571 -12.611 573 HD22 ASN 72 1HD2 ASN 72 -2.008 5.973 -12.921 574 H LYS 73 H LYS 73 -0.458 1.254 -10.032 575 HA LYS 73 HA LYS 73 -2.112 -0.789 -8.987 576 HB2 LYS 73 1HB LYS 73 -0.217 -1.211 -10.527 577 HB3 LYS 73 2HB LYS 73 0.900 -0.757 -9.248 578 HG2 LYS 73 1HG LYS 73 0.282 -2.638 -7.929 579 HG3 LYS 73 2HG LYS 73 -1.060 -3.025 -9.010 580 HD2 LYS 73 1HD LYS 73 0.553 -3.473 -10.815 581 HD3 LYS 73 2HD LYS 73 1.878 -3.137 -9.695 582 HE2 LYS 73 1HE LYS 73 1.249 -4.998 -8.312 583 HE3 LYS 73 2HE LYS 73 -0.206 -5.273 -9.269 584 HZ1 LYS 73 3HZ LYS 73 1.192 -5.823 -11.164 585 HZ2 LYS 73 1HZ LYS 73 1.527 -6.839 -9.847 586 HZ3 LYS 73 2HZ LYS 73 2.591 -5.574 -10.234 587 H ALA 74 H ALA 74 0.467 1.193 -7.562 588 HA ALA 74 HA ALA 74 0.626 0.038 -5.047 589 HB1 ALA 74 3HB ALA 74 2.057 1.918 -5.918 590 HB2 ALA 74 1HB ALA 74 1.518 2.104 -4.249 591 HB3 ALA 74 2HB ALA 74 0.727 3.020 -5.536 592 H ARG 75 H ARG 75 -1.645 2.446 -6.266 593 HA ARG 75 HA ARG 75 -3.052 2.985 -3.921 594 HB2 ARG 75 1HB ARG 75 -3.287 4.225 -6.068 595 HB3 ARG 75 2HB ARG 75 -4.178 2.859 -6.727 596 HG2 ARG 75 1HG ARG 75 -5.758 3.199 -4.728 597 HG3 ARG 75 2HG ARG 75 -4.994 4.783 -4.588 598 HD2 ARG 75 1HD ARG 75 -6.487 3.680 -6.961 599 HD3 ARG 75 2HD ARG 75 -6.991 4.993 -5.900 600 HE ARG 75 HE ARG 75 -4.836 6.092 -6.820 601 HH11 ARG 75 1HH1 ARG 75 -7.037 4.044 -8.607 602 HH12 ARG 75 2HH1 ARG 75 -6.712 4.803 -10.136 603 HH21 ARG 75 1HH2 ARG 75 -4.414 7.108 -8.848 604 HH22 ARG 75 2HH2 ARG 75 -5.205 6.507 -10.273 605 H ARG 76 H ARG 76 -3.748 0.578 -6.445 606 HA ARG 76 HA ARG 76 -6.076 -0.449 -5.230 607 HB2 ARG 76 1HB ARG 76 -5.625 -0.774 -7.596 608 HB3 ARG 76 2HB ARG 76 -4.196 -1.728 -7.221 609 HG2 ARG 76 1HG ARG 76 -5.580 -3.449 -6.215 610 HG3 ARG 76 2HG ARG 76 -7.026 -2.483 -6.515 611 HD2 ARG 76 1HD ARG 76 -5.164 -3.522 -8.646 612 HD3 ARG 76 2HD ARG 76 -6.687 -4.279 -8.182 613 HE ARG 76 HE ARG 76 -7.019 -1.530 -8.905 614 HH11 ARG 76 1HH1 ARG 76 -6.717 -4.774 -10.184 615 HH12 ARG 76 2HH1 ARG 76 -7.519 -4.405 -11.680 616 HH21 ARG 76 1HH2 ARG 76 -8.084 -1.037 -10.861 617 HH22 ARG 76 2HH2 ARG 76 -8.307 -2.275 -12.055 618 H ARG 77 H ARG 77 -2.699 -1.540 -5.128 619 HA ARG 77 HA ARG 77 -3.214 -3.908 -3.667 620 HB2 ARG 77 1HB ARG 77 -0.691 -2.270 -3.927 621 HB3 ARG 77 2HB ARG 77 -0.768 -3.858 -3.179 622 HG2 ARG 77 1HG ARG 77 -1.830 -3.620 -5.929 623 HG3 ARG 77 2HG ARG 77 -0.085 -3.474 -5.722 624 HD2 ARG 77 1HD ARG 77 -0.466 -5.752 -6.121 625 HD3 ARG 77 2HD ARG 77 -0.208 -5.625 -4.386 626 HE ARG 77 HE ARG 77 -2.770 -5.662 -4.299 627 HH11 ARG 77 1HH1 ARG 77 -0.856 -7.272 -6.732 628 HH12 ARG 77 2HH1 ARG 77 -1.987 -8.569 -6.975 629 HH21 ARG 77 1HH2 ARG 77 -4.295 -7.395 -4.600 630 HH22 ARG 77 2HH2 ARG 77 -3.925 -8.632 -5.765 631 H CYS 78 H CYS 78 -2.277 -0.625 -2.645 632 HA CYS 78 HA CYS 78 -2.003 -1.215 0.094 633 HB2 CYS 78 1HB CYS 78 -2.769 1.382 -1.254 634 HB3 CYS 78 2HB CYS 78 -2.360 1.232 0.450 635 HG CYS 78 HG CYS 78 -0.316 0.951 -2.253 636 H GLY 79 H GLY 79 -4.800 -0.060 -1.785 637 HA2 GLY 79 1HA GLY 79 -6.644 0.131 0.314 638 HA3 GLY 79 2HA GLY 79 -7.054 -0.213 -1.361 639 H GLU 80 H GLU 80 -5.562 -2.666 -1.530 640 HA GLU 80 HA GLU 80 -7.469 -4.484 -0.494 641 HB2 GLU 80 1HB GLU 80 -6.010 -4.854 -2.527 642 HB3 GLU 80 2HB GLU 80 -4.677 -5.167 -1.423 643 HG2 GLU 80 1HG GLU 80 -5.976 -7.013 -0.431 644 HG3 GLU 80 2HG GLU 80 -7.244 -6.726 -1.618 645 H VAL 81 H VAL 81 -4.228 -3.505 0.556 646 HA VAL 81 HA VAL 81 -3.989 -5.294 2.720 647 HB VAL 81 HB VAL 81 -2.798 -2.525 2.425 648 HG11 VAL 81 1HG1 VAL 81 -1.148 -3.265 4.078 649 HG12 VAL 81 2HG1 VAL 81 -2.027 -4.782 4.276 650 HG13 VAL 81 3HG1 VAL 81 -2.778 -3.257 4.750 651 HG21 VAL 81 3HG2 VAL 81 -1.656 -5.245 1.790 652 HG22 VAL 81 1HG2 VAL 81 -0.780 -3.716 1.703 653 HG23 VAL 81 2HG2 VAL 81 -2.139 -4.017 0.620 654 H PHE 82 H PHE 82 -5.266 -1.984 2.536 655 HA PHE 82 HA PHE 82 -5.940 -1.679 5.234 656 HB2 PHE 82 1HB PHE 82 -7.031 -0.480 2.703 657 HB3 PHE 82 2HB PHE 82 -7.783 -0.123 4.254 658 HD1 PHE 82 HD2 PHE 82 -4.756 0.287 2.215 659 HD2 PHE 82 HD1 PHE 82 -6.705 1.282 5.860 660 HE1 PHE 82 HE2 PHE 82 -3.097 2.057 2.612 661 HE2 PHE 82 HE1 PHE 82 -5.050 3.057 6.263 662 HZ PHE 82 HZ PHE 82 -3.243 3.446 4.639 663 H ARG 83 H ARG 83 -7.865 -2.961 2.534 664 HA ARG 83 HA ARG 83 -10.158 -3.503 4.113 665 HB2 ARG 83 1HB ARG 83 -10.198 -3.262 1.644 666 HB3 ARG 83 2HB ARG 83 -9.329 -4.785 1.503 667 HG2 ARG 83 1HG ARG 83 -11.181 -5.979 2.486 668 HG3 ARG 83 2HG ARG 83 -12.041 -4.464 2.771 669 HD2 ARG 83 1HD ARG 83 -12.890 -5.604 0.790 670 HD3 ARG 83 2HD ARG 83 -12.149 -4.060 0.371 671 HE ARG 83 HE ARG 83 -10.203 -5.340 -0.394 672 HH11 ARG 83 1HH1 ARG 83 -13.234 -7.023 0.021 673 HH12 ARG 83 2HH1 ARG 83 -12.846 -8.279 -1.118 674 HH21 ARG 83 1HH2 ARG 83 -9.673 -6.984 -1.896 675 HH22 ARG 83 2HH2 ARG 83 -10.801 -8.272 -2.199 676 H TYR 84 H TYR 84 -7.292 -5.354 3.278 677 HA TYR 84 HA TYR 84 -8.050 -7.871 4.252 678 HB2 TYR 84 1HB TYR 84 -5.907 -7.144 2.992 679 HB3 TYR 84 2HB TYR 84 -5.279 -6.730 4.580 680 HD1 TYR 84 HD2 TYR 84 -4.729 -8.497 6.204 681 HD2 TYR 84 HD1 TYR 84 -6.222 -9.431 2.327 682 HE1 TYR 84 HE2 TYR 84 -3.975 -10.827 6.474 683 HE2 TYR 84 HE1 TYR 84 -5.473 -11.754 2.588 684 HH TYR 84 HH TYR 84 -4.451 -13.050 5.572 685 H ALA 85 H ALA 85 -6.674 -5.050 5.845 686 HA ALA 85 HA ALA 85 -6.497 -6.199 8.431 687 HB1 ALA 85 3HB ALA 85 -5.191 -4.245 7.766 688 HB2 ALA 85 1HB ALA 85 -6.155 -3.917 9.207 689 HB3 ALA 85 2HB ALA 85 -6.672 -3.296 7.639 690 H ILE 86 H ILE 86 -9.057 -4.538 6.687 691 HA ILE 86 HA ILE 86 -10.796 -4.132 8.875 692 HB ILE 86 HB ILE 86 -11.506 -4.620 5.973 693 HG12 ILE 86 1HG1 ILE 86 -11.183 -2.032 7.510 694 HG13 ILE 86 2HG1 ILE 86 -10.026 -2.671 6.347 695 HG21 ILE 86 1HG2 ILE 86 -13.635 -3.536 6.506 696 HG22 ILE 86 2HG2 ILE 86 -13.160 -3.433 8.202 697 HG23 ILE 86 3HG2 ILE 86 -13.410 -5.009 7.450 698 HD11 ILE 86 3HD1 ILE 86 -12.850 -1.819 5.747 699 HD12 ILE 86 1HD1 ILE 86 -11.696 -2.463 4.579 700 HD13 ILE 86 2HD1 ILE 86 -11.383 -0.917 5.367 701 H VAL 87 H VAL 87 -10.481 -6.787 6.553 702 HA VAL 87 HA VAL 87 -12.524 -8.414 7.620 703 HB VAL 87 HB VAL 87 -10.072 -9.276 6.071 704 HG11 VAL 87 1HG1 VAL 87 -12.730 -10.648 6.450 705 HG12 VAL 87 2HG1 VAL 87 -11.196 -11.146 7.161 706 HG13 VAL 87 3HG1 VAL 87 -11.418 -11.207 5.413 707 HG21 VAL 87 3HG2 VAL 87 -11.520 -9.140 4.096 708 HG22 VAL 87 1HG2 VAL 87 -11.321 -7.570 4.874 709 HG23 VAL 87 2HG2 VAL 87 -12.814 -8.482 5.099 710 H THR 88 H THR 88 -9.107 -8.079 8.381 711 HA THR 88 HA THR 88 -9.118 -10.371 10.140 712 HB THR 88 HB THR 88 -6.774 -9.530 10.716 713 HG1 THR 88 HG1 THR 88 -6.969 -7.996 8.361 714 HG21 THR 88 3HG2 THR 88 -7.400 -10.157 7.830 715 HG22 THR 88 1HG2 THR 88 -7.207 -11.344 9.121 716 HG23 THR 88 2HG2 THR 88 -5.835 -10.355 8.619 717 H GLY 89 H GLY 89 -10.423 -7.411 10.472 718 HA2 GLY 89 1HA GLY 89 -11.333 -6.381 12.322 719 HA3 GLY 89 2HA GLY 89 -10.724 -7.716 13.291 720 H ARG 90 H ARG 90 -8.898 -5.456 11.281 721 HA ARG 90 HA ARG 90 -7.602 -4.454 13.732 722 HB2 ARG 90 1HB ARG 90 -6.295 -5.002 11.061 723 HB3 ARG 90 2HB ARG 90 -5.496 -4.316 12.470 724 HG2 ARG 90 1HG ARG 90 -5.792 -6.354 13.701 725 HG3 ARG 90 2HG ARG 90 -6.766 -7.043 12.402 726 HD2 ARG 90 1HD ARG 90 -4.817 -6.905 10.904 727 HD3 ARG 90 2HD ARG 90 -3.851 -6.287 12.243 728 HE ARG 90 HE ARG 90 -4.577 -8.525 13.339 729 HH11 ARG 90 1HH1 ARG 90 -3.908 -8.052 9.940 730 HH12 ARG 90 2HH1 ARG 90 -3.320 -9.672 9.689 731 HH21 ARG 90 1HH2 ARG 90 -3.758 -10.650 13.019 732 HH22 ARG 90 2HH2 ARG 90 -3.183 -11.123 11.445 733 H ALA 91 H ALA 91 -8.876 -3.746 10.561 734 HA ALA 91 HA ALA 91 -8.407 -0.885 11.083 735 HB1 ALA 91 3HB ALA 91 -8.661 -2.213 8.387 736 HB2 ALA 91 1HB ALA 91 -7.155 -1.667 9.126 737 HB3 ALA 91 2HB ALA 91 -8.396 -0.495 8.684 738 H LYS 92 H LYS 92 -10.104 0.459 11.036 739 HA LYS 92 HA LYS 92 -12.744 -0.734 10.563 740 HB2 LYS 92 1HB LYS 92 -12.572 0.131 12.764 741 HB3 LYS 92 2HB LYS 92 -11.811 1.612 12.206 742 HG2 LYS 92 1HG LYS 92 -13.942 2.240 11.111 743 HG3 LYS 92 2HG LYS 92 -14.682 0.800 11.816 744 HD2 LYS 92 1HD LYS 92 -14.305 1.602 14.031 745 HD3 LYS 92 2HD LYS 92 -13.313 2.934 13.438 746 HE2 LYS 92 1HE LYS 92 -15.272 3.888 12.322 747 HE3 LYS 92 2HE LYS 92 -16.260 2.556 12.925 748 HZ1 LYS 92 3HZ LYS 92 -15.873 3.267 15.162 749 HZ2 LYS 92 1HZ LYS 92 -16.434 4.598 14.274 750 HZ3 LYS 92 2HZ LYS 92 -14.788 4.467 14.659 751 H TYR 93 H TYR 93 -10.663 1.957 9.689 752 HA TYR 93 HA TYR 93 -12.464 2.589 7.470 753 HB2 TYR 93 1HB TYR 93 -13.039 4.156 9.239 754 HB3 TYR 93 2HB TYR 93 -11.348 4.587 9.451 755 HD1 TYR 93 HD1 TYR 93 -14.121 4.692 6.967 756 HD2 TYR 93 HD2 TYR 93 -10.430 6.374 8.257 757 HE1 TYR 93 HE1 TYR 93 -14.393 6.522 5.349 758 HE2 TYR 93 HE2 TYR 93 -10.696 8.205 6.641 759 HH TYR 93 HH TYR 93 -13.620 8.846 5.057 760 H ASN 94 H ASN 94 -11.432 3.071 5.601 761 HA ASN 94 HA ASN 94 -8.522 3.467 5.731 762 HB2 ASN 94 1HB ASN 94 -8.426 2.593 3.418 763 HB3 ASN 94 2HB ASN 94 -9.070 1.406 4.542 764 HD21 ASN 94 2HD2 ASN 94 -11.093 0.625 4.236 765 HD22 ASN 94 1HD2 ASN 94 -12.112 1.068 2.907 766 HA PRO 95 HA PRO 95 -9.438 7.462 4.023 767 HB2 PRO 95 1HB PRO 95 -6.943 8.323 3.608 768 HB3 PRO 95 2HB PRO 95 -7.560 8.065 5.246 769 HG2 PRO 95 1HG PRO 95 -5.792 6.306 3.590 770 HG3 PRO 95 2HG PRO 95 -5.668 6.715 5.310 771 HD2 PRO 95 1HD PRO 95 -6.772 4.385 4.347 772 HD3 PRO 95 2HD PRO 95 -7.173 5.104 5.918 773 H ALA 96 H ALA 96 -9.366 5.062 2.199 774 HA ALA 96 HA ALA 96 -7.851 5.669 -0.108 775 HB1 ALA 96 3HB ALA 96 -8.618 3.415 0.379 776 HB2 ALA 96 1HB ALA 96 -9.164 3.941 -1.216 777 HB3 ALA 96 2HB ALA 96 -10.291 3.922 0.143 778 HA PRO 97 HA PRO 97 -12.154 7.501 -1.798 779 HB2 PRO 97 1HB PRO 97 -13.241 8.960 0.359 780 HB3 PRO 97 2HB PRO 97 -13.945 7.545 -0.425 781 HG2 PRO 97 1HG PRO 97 -12.392 7.740 2.094 782 HG3 PRO 97 2HG PRO 97 -13.674 6.601 1.642 783 HD2 PRO 97 1HD PRO 97 -11.087 5.874 1.730 784 HD3 PRO 97 2HD PRO 97 -12.209 5.203 0.528 785 H ASP 98 H ASP 98 -10.505 9.057 0.980 786 HA ASP 98 HA ASP 98 -10.342 11.564 -0.441 787 HB2 ASP 98 1HB ASP 98 -9.357 10.638 2.240 788 HB3 ASP 98 2HB ASP 98 -8.832 12.178 1.565 789 H LEU 99 H LEU 99 -8.358 8.768 -0.071 790 HA LEU 99 HA LEU 99 -5.866 9.796 -0.829 791 HB2 LEU 99 1HB LEU 99 -6.165 7.512 -0.030 792 HB3 LEU 99 2HB LEU 99 -7.155 7.121 -1.416 793 HG LEU 99 HG LEU 99 -4.744 6.248 -1.350 794 HD11 LEU 99 1HD1 LEU 99 -4.469 6.491 -3.761 795 HD12 LEU 99 2HD1 LEU 99 -5.701 7.753 -3.775 796 HD13 LEU 99 3HD1 LEU 99 -6.135 6.103 -3.332 797 HD21 LEU 99 3HD2 LEU 99 -3.656 8.307 -0.684 798 HD22 LEU 99 1HD2 LEU 99 -4.205 9.094 -2.164 799 HD23 LEU 99 2HD2 LEU 99 -3.054 7.762 -2.249 800 H ALA 100 H ALA 100 -8.520 8.508 -2.800 801 HA ALA 100 HA ALA 100 -7.318 9.144 -5.294 802 HB1 ALA 100 3HB ALA 100 -10.227 8.675 -4.640 803 HB2 ALA 100 1HB ALA 100 -9.053 7.433 -5.078 804 HB3 ALA 100 2HB ALA 100 -9.512 8.664 -6.253 805 H ASP 101 H ASP 101 -9.435 10.859 -3.099 806 HA ASP 101 HA ASP 101 -10.158 12.940 -4.889 807 HB2 ASP 101 1HB ASP 101 -11.482 12.394 -2.889 808 HB3 ASP 101 2HB ASP 101 -10.153 12.930 -1.867 809 H ALA 102 H ALA 102 -7.650 12.613 -2.428 810 HA ALA 102 HA ALA 102 -6.615 15.235 -2.675 811 HB1 ALA 102 3HB ALA 102 -4.652 14.378 -1.505 812 HB2 ALA 102 1HB ALA 102 -5.204 12.724 -1.772 813 HB3 ALA 102 2HB ALA 102 -6.137 13.809 -0.742 814 H MET 103 H MET 103 -5.509 12.136 -4.045 815 HA MET 103 HA MET 103 -3.586 12.964 -5.807 816 HB2 MET 103 1HB MET 103 -4.350 10.622 -5.407 817 HB3 MET 103 2HB MET 103 -5.758 10.950 -6.404 818 HG2 MET 103 1HG MET 103 -4.326 11.331 -8.329 819 HG3 MET 103 2HG MET 103 -2.897 11.053 -7.332 820 HE1 MET 103 3HE MET 103 -2.574 8.726 -5.962 821 HE2 MET 103 1HE MET 103 -3.549 7.286 -6.254 822 HE3 MET 103 2HE MET 103 -4.262 8.687 -5.454 823 H LYS 104 H LYS 104 -7.075 12.927 -6.343 824 HA LYS 104 HA LYS 104 -7.097 13.916 -8.962 825 HB2 LYS 104 1HB LYS 104 -9.047 12.873 -8.066 826 HB3 LYS 104 2HB LYS 104 -9.123 14.009 -6.731 827 HG2 LYS 104 1HG LYS 104 -9.661 15.805 -8.325 828 HG3 LYS 104 2HG LYS 104 -9.660 14.614 -9.629 829 HD2 LYS 104 1HD LYS 104 -11.553 13.526 -8.796 830 HD3 LYS 104 2HD LYS 104 -11.376 14.250 -7.195 831 HE2 LYS 104 1HE LYS 104 -12.141 15.703 -9.726 832 HE3 LYS 104 2HE LYS 104 -13.239 15.247 -8.423 833 HZ1 LYS 104 3HZ LYS 104 -11.032 17.227 -8.331 834 HZ2 LYS 104 1HZ LYS 104 -11.784 16.631 -6.932 835 HZ3 LYS 104 2HZ LYS 104 -12.689 17.497 -8.078 836 H GLY 105 H GLY 105 -6.934 15.560 -5.867 837 HA2 GLY 105 1HA GLY 105 -6.936 18.151 -7.277 838 HA3 GLY 105 2HA GLY 105 -7.310 17.932 -5.573 839 H TYR 106 H TYR 106 -4.656 16.318 -7.148 840 HA TYR 106 HA TYR 106 -2.791 17.781 -5.433 841 HB2 TYR 106 1HB TYR 106 -2.662 15.381 -5.253 842 HB3 TYR 106 2HB TYR 106 -2.544 15.205 -6.998 843 HD1 TYR 106 HD2 TYR 106 -0.715 17.073 -4.308 844 HD2 TYR 106 HD1 TYR 106 -0.479 14.616 -7.772 845 HE1 TYR 106 HE2 TYR 106 1.740 17.103 -4.158 846 HE2 TYR 106 HE1 TYR 106 1.971 14.639 -7.631 847 HH TYR 106 HH TYR 106 3.750 15.841 -6.708 848 H ARG 107 H ARG 107 -3.947 17.847 -8.547 849 HA ARG 107 HA ARG 107 -1.581 19.278 -9.513 850 HB2 ARG 107 1HB ARG 107 -1.710 16.902 -10.398 851 HB3 ARG 107 2HB ARG 107 -3.191 17.370 -11.219 852 HG2 ARG 107 1HG ARG 107 -2.091 18.438 -12.850 853 HG3 ARG 107 2HG ARG 107 -0.909 19.133 -11.737 854 HD2 ARG 107 1HD ARG 107 -0.901 16.235 -12.566 855 HD3 ARG 107 2HD ARG 107 0.010 17.485 -13.412 856 HE ARG 107 HE ARG 107 1.148 17.890 -11.224 857 HH11 ARG 107 1HH1 ARG 107 -0.289 14.741 -11.886 858 HH12 ARG 107 2HH1 ARG 107 0.787 13.899 -10.805 859 HH21 ARG 107 1HH2 ARG 107 2.548 16.769 -9.850 860 HH22 ARG 107 2HH2 ARG 107 2.405 15.041 -9.666 861 H LYS 108 H LYS 108 -3.313 20.734 -8.465 862 HA LYS 108 HA LYS 108 -5.750 21.281 -9.800 863 HB2 LYS 108 1HB LYS 108 -4.192 23.166 -8.034 864 HB3 LYS 108 2HB LYS 108 -5.917 23.193 -8.353 865 HG2 LYS 108 1HG LYS 108 -6.220 21.142 -7.121 866 HG3 LYS 108 2HG LYS 108 -4.474 20.997 -6.884 867 HD2 LYS 108 1HD LYS 108 -4.525 23.185 -5.692 868 HD3 LYS 108 2HD LYS 108 -6.284 23.163 -5.817 869 HE2 LYS 108 1HE LYS 108 -6.380 21.134 -4.501 870 HE3 LYS 108 2HE LYS 108 -4.620 21.052 -4.449 871 HZ1 LYS 108 3HZ LYS 108 -5.389 21.968 -2.408 872 HZ2 LYS 108 1HZ LYS 108 -6.351 23.119 -3.203 873 HZ3 LYS 108 2HZ LYS 108 -4.659 23.220 -3.284 874 H LYS 109 H LYS 109 -2.518 22.639 -10.063 875 HA LYS 109 HA LYS 109 -3.463 24.955 -11.502 876 HB2 LYS 109 1HB LYS 109 -1.568 24.989 -9.835 877 HB3 LYS 109 2HB LYS 109 -0.599 24.136 -11.029 878 HG2 LYS 109 1HG LYS 109 -0.710 25.970 -12.545 879 HG3 LYS 109 2HG LYS 109 -1.912 26.793 -11.547 880 HD2 LYS 109 1HD LYS 109 -0.184 26.859 -9.715 881 HD3 LYS 109 2HD LYS 109 0.989 26.294 -10.907 882 HE2 LYS 109 1HE LYS 109 0.660 28.249 -12.249 883 HE3 LYS 109 2HE LYS 109 -0.686 28.776 -11.239 884 HZ1 LYS 109 3HZ LYS 109 2.199 28.724 -10.564 885 HZ2 LYS 109 1HZ LYS 109 0.996 28.850 -9.372 886 HZ3 LYS 109 2HZ LYS 109 1.136 30.043 -10.563 887 H ASN 110 H ASN 110 -3.981 24.817 -13.538 888 HA ASN 110 HA ASN 110 -2.532 22.985 -15.316 889 HB2 ASN 110 1HB ASN 110 -5.102 23.075 -15.171 890 HB3 ASN 110 2HB ASN 110 -4.978 24.613 -16.013 891 HD21 ASN 110 2HD2 ASN 110 -6.200 22.067 -16.800 892 HD22 ASN 110 1HD2 ASN 110 -5.471 21.642 -18.306 893 H LEU 111 H LEU 111 -1.612 23.759 -17.263 894 HA LEU 111 HA LEU 111 -0.368 26.330 -16.909 895 HB2 LEU 111 1HB LEU 111 -0.078 24.313 -19.135 896 HB3 LEU 111 2HB LEU 111 0.951 25.709 -18.882 897 HG LEU 111 HG LEU 111 0.687 23.381 -16.976 898 HD11 LEU 111 1HD1 LEU 111 1.804 22.744 -19.042 899 HD12 LEU 111 2HD1 LEU 111 2.949 22.808 -17.703 900 HD13 LEU 111 3HD1 LEU 111 2.902 24.116 -18.887 901 HD21 LEU 111 3HD2 LEU 111 1.214 25.498 -15.861 902 HD22 LEU 111 1HD2 LEU 111 2.572 25.738 -16.960 903 HD23 LEU 111 2HD2 LEU 111 2.584 24.389 -15.825 904 H GLU 112 H GLU 112 -2.203 24.851 -19.599 905 HA GLU 112 HA GLU 112 -2.522 27.508 -20.761 906 HB2 GLU 112 1HB GLU 112 -1.764 25.649 -22.202 907 HB3 GLU 112 2HB GLU 112 -3.273 24.804 -21.888 908 HG2 GLU 112 1HG GLU 112 -4.528 26.507 -23.016 909 HG3 GLU 112 2HG GLU 112 -3.088 27.507 -23.198 910 H HIS 113 H HIS 113 -4.426 28.555 -20.970 911 HA HIS 113 HA HIS 113 -6.861 27.213 -20.017 912 HB2 HIS 113 1HB HIS 113 -5.973 30.011 -19.251 913 HB3 HIS 113 2HB HIS 113 -7.532 29.298 -18.848 914 HD1 HIS 113 HD1 HIS 113 -7.630 27.750 -16.831 915 HD2 HIS 113 HD2 HIS 113 -3.761 28.909 -17.831 916 HE1 HIS 113 HE1 HIS 113 -6.171 26.945 -14.948 917 HE2 HIS 113 HE2 HIS 113 -3.817 27.439 -15.703 918 H HIS 114 H HIS 114 -8.861 28.424 -20.712 919 HA HIS 114 HA HIS 114 -8.641 28.795 -23.535 920 HB2 HIS 114 1HB HIS 114 -10.578 27.674 -22.557 921 HB3 HIS 114 2HB HIS 114 -11.021 29.149 -21.706 922 HD1 HIS 114 HD1 HIS 114 -13.103 29.932 -22.797 923 HD2 HIS 114 HD2 HIS 114 -10.258 28.714 -25.578 924 HE1 HIS 114 HE1 HIS 114 -14.081 30.466 -25.047 925 HE2 HIS 114 HE2 HIS 114 -12.342 29.743 -26.717 926 H HIS 115 H HIS 115 -8.982 30.975 -20.804 927 HA HIS 115 HA HIS 115 -9.380 33.243 -22.568 928 HB2 HIS 115 1HB HIS 115 -9.222 32.938 -19.588 929 HB3 HIS 115 2HB HIS 115 -9.046 34.527 -20.323 930 HD1 HIS 115 HD1 HIS 115 -11.538 32.442 -18.910 931 HD2 HIS 115 HD2 HIS 115 -11.393 35.000 -22.187 932 HE1 HIS 115 HE1 HIS 115 -13.933 32.986 -19.456 933 HE2 HIS 115 HE2 HIS 115 -13.820 34.386 -21.549 934 H HIS 116 H HIS 116 -7.640 33.573 -23.805 935 HA HIS 116 HA HIS 116 -4.975 33.540 -22.617 936 HB2 HIS 116 1HB HIS 116 -5.781 34.092 -25.486 937 HB3 HIS 116 2HB HIS 116 -4.149 33.802 -24.898 938 HD1 HIS 116 HD1 HIS 116 -3.432 31.373 -24.547 939 HD2 HIS 116 HD2 HIS 116 -7.423 31.791 -25.644 940 HE1 HIS 116 HE1 HIS 116 -4.241 29.049 -25.086 941 HE2 HIS 116 HE2 HIS 116 -6.709 29.307 -25.532 942 H HIS 117 H HIS 117 -5.735 35.361 -21.251 943 HA HIS 117 HA HIS 117 -6.085 37.927 -22.519 944 HB2 HIS 117 1HB HIS 117 -6.253 38.800 -20.213 945 HB3 HIS 117 2HB HIS 117 -7.345 37.450 -20.493 946 HD1 HIS 117 HD1 HIS 117 -4.702 38.620 -18.261 947 HD2 HIS 117 HD2 HIS 117 -6.417 34.969 -19.280 948 HE1 HIS 117 HE1 HIS 117 -3.992 37.008 -16.465 949 HE2 HIS 117 HE2 HIS 117 -5.234 34.876 -16.982 950 H HIS 118 H HIS 118 -4.758 39.804 -21.918 951 HA HIS 118 HA HIS 118 -1.917 39.038 -21.752 952 HB2 HIS 118 1HB HIS 118 -3.154 41.508 -23.000 953 HB3 HIS 118 2HB HIS 118 -1.433 41.146 -22.942 954 HD1 HIS 118 HD1 HIS 118 -4.337 40.786 -25.056 955 HD2 HIS 118 HD2 HIS 118 -0.811 38.657 -24.445 956 HE1 HIS 118 HE1 HIS 118 -4.063 39.325 -27.085 957 HE2 HIS 118 HE2 HIS 118 -1.990 37.965 -26.648 Start of MODEL 15 1 H1 SER 1 1H SER 1 3.297 -6.773 18.693 2 H2 SER 1 2H SER 1 3.779 -7.274 20.240 3 H3 SER 1 3H SER 1 4.569 -7.879 18.869 4 HA SER 1 HA SER 1 5.859 -6.171 20.042 5 HB2 SER 1 1HB SER 1 4.929 -5.362 17.270 6 HB3 SER 1 2HB SER 1 6.469 -4.948 18.021 7 HG SER 1 HG SER 1 6.854 -6.680 16.697 8 H SER 2 H SER 2 6.106 -3.642 19.846 9 HA SER 2 HA SER 2 3.724 -2.360 20.811 10 HB2 SER 2 1HB SER 2 6.372 -1.165 19.941 11 HB3 SER 2 2HB SER 2 5.110 -0.334 20.854 12 HG SER 2 HG SER 2 7.086 -1.767 21.814 13 H ASN 3 H ASN 3 2.263 -1.233 19.656 14 HA ASN 3 HA ASN 3 1.013 -0.627 17.865 15 HB2 ASN 3 1HB ASN 3 3.679 -0.304 16.459 16 HB3 ASN 3 2HB ASN 3 2.132 0.224 15.816 17 HD21 ASN 3 2HD2 ASN 3 4.518 1.747 16.389 18 HD22 ASN 3 1HD2 ASN 3 4.059 2.984 17.506 19 H ASN 4 H ASN 4 0.114 -2.695 17.771 20 HA ASN 4 HA ASN 4 1.393 -4.772 16.216 21 HB2 ASN 4 1HB ASN 4 -1.189 -4.611 17.756 22 HB3 ASN 4 2HB ASN 4 -0.805 -5.996 16.740 23 HD21 ASN 4 2HD2 ASN 4 -1.127 -5.576 19.690 24 HD22 ASN 4 1HD2 ASN 4 0.299 -6.288 20.380 25 H ASN 5 H ASN 5 -0.873 -2.274 15.705 26 HA ASN 5 HA ASN 5 -1.939 -3.514 13.284 27 HB2 ASN 5 1HB ASN 5 -2.700 -1.059 14.856 28 HB3 ASN 5 2HB ASN 5 -3.338 -1.361 13.244 29 HD21 ASN 5 2HD2 ASN 5 -4.584 -1.258 15.945 30 HD22 ASN 5 1HD2 ASN 5 -5.473 -2.742 16.070 31 H SER 6 H SER 6 0.853 -2.501 13.635 32 HA SER 6 HA SER 6 1.233 -0.210 12.043 33 HB2 SER 6 1HB SER 6 3.055 -2.596 12.460 34 HB3 SER 6 2HB SER 6 3.547 -1.058 11.749 35 HG SER 6 HG SER 6 3.095 -1.734 14.389 36 H PHE 7 H PHE 7 1.554 0.043 9.847 37 HA PHE 7 HA PHE 7 -0.007 -1.568 8.189 38 HB2 PHE 7 1HB PHE 7 0.897 0.882 7.888 39 HB3 PHE 7 2HB PHE 7 2.206 0.075 7.029 40 HD1 PHE 7 HD1 PHE 7 1.702 -1.264 4.998 41 HD2 PHE 7 HD2 PHE 7 -1.245 1.110 6.933 42 HE1 PHE 7 HE1 PHE 7 0.291 -1.375 2.985 43 HE2 PHE 7 HE2 PHE 7 -2.658 1.007 4.926 44 HZ PHE 7 HZ PHE 7 -1.891 -0.238 2.947 45 H SER 8 H SER 8 3.522 -1.477 8.613 46 HA SER 8 HA SER 8 4.229 -3.335 6.664 47 HB2 SER 8 1HB SER 8 5.537 -2.860 9.351 48 HB3 SER 8 2HB SER 8 6.284 -3.683 7.980 49 HG SER 8 HG SER 8 5.703 -0.968 8.344 50 H ALA 9 H ALA 9 3.099 -3.867 9.971 51 HA ALA 9 HA ALA 9 3.745 -6.619 10.102 52 HB1 ALA 9 3HB ALA 9 2.276 -6.679 12.054 53 HB2 ALA 9 1HB ALA 9 1.658 -5.079 11.644 54 HB3 ALA 9 2HB ALA 9 3.349 -5.281 12.105 55 H ILE 10 H ILE 10 0.676 -4.943 9.457 56 HA ILE 10 HA ILE 10 -0.813 -7.302 8.980 57 HB ILE 10 HB ILE 10 -1.369 -4.487 8.024 58 HG12 ILE 10 1HG1 ILE 10 -2.285 -5.981 10.495 59 HG13 ILE 10 2HG1 ILE 10 -1.150 -4.635 10.459 60 HG21 ILE 10 1HG2 ILE 10 -3.691 -5.210 7.815 61 HG22 ILE 10 2HG2 ILE 10 -3.234 -6.846 8.292 62 HG23 ILE 10 3HG2 ILE 10 -2.638 -6.170 6.776 63 HD11 ILE 10 3HD1 ILE 10 -4.047 -4.500 9.661 64 HD12 ILE 10 1HD1 ILE 10 -2.906 -3.155 9.677 65 HD13 ILE 10 2HD1 ILE 10 -3.366 -3.941 11.188 66 H TYR 11 H TYR 11 1.048 -5.153 6.898 67 HA TYR 11 HA TYR 11 0.304 -6.234 4.414 68 HB2 TYR 11 1HB TYR 11 1.584 -4.171 4.532 69 HB3 TYR 11 2HB TYR 11 2.937 -5.018 5.277 70 HD1 TYR 11 HD1 TYR 11 0.939 -4.786 2.170 71 HD2 TYR 11 HD2 TYR 11 4.576 -6.075 3.952 72 HE1 TYR 11 HE1 TYR 11 1.849 -5.277 -0.057 73 HE2 TYR 11 HE2 TYR 11 5.500 -6.570 1.727 74 HH TYR 11 HH TYR 11 4.597 -7.122 -0.556 75 H LYS 12 H LYS 12 2.816 -7.199 6.727 76 HA LYS 12 HA LYS 12 4.022 -9.113 5.042 77 HB2 LYS 12 1HB LYS 12 5.065 -8.112 7.079 78 HB3 LYS 12 2HB LYS 12 4.000 -9.110 8.060 79 HG2 LYS 12 1HG LYS 12 5.010 -11.114 7.240 80 HG3 LYS 12 2HG LYS 12 5.950 -10.210 6.051 81 HD2 LYS 12 1HD LYS 12 7.128 -9.068 7.891 82 HD3 LYS 12 2HD LYS 12 6.219 -10.040 9.053 83 HE2 LYS 12 1HE LYS 12 7.193 -12.069 8.161 84 HE3 LYS 12 2HE LYS 12 8.033 -11.148 6.914 85 HZ1 LYS 12 3HZ LYS 12 8.479 -10.836 9.834 86 HZ2 LYS 12 1HZ LYS 12 9.348 -10.073 8.592 87 HZ3 LYS 12 2HZ LYS 12 9.461 -11.754 8.799 88 H GLU 13 H GLU 13 1.345 -9.316 7.318 89 HA GLU 13 HA GLU 13 1.039 -12.136 7.233 90 HB2 GLU 13 1HB GLU 13 -0.027 -10.619 8.919 91 HB3 GLU 13 2HB GLU 13 -1.117 -10.051 7.661 92 HG2 GLU 13 1HG GLU 13 -1.974 -12.340 7.400 93 HG3 GLU 13 2HG GLU 13 -0.913 -12.869 8.705 94 H TRP 14 H TRP 14 -0.569 -9.514 5.477 95 HA TRP 14 HA TRP 14 -2.141 -11.090 3.773 96 HB2 TRP 14 1HB TRP 14 -2.677 -8.794 4.048 97 HB3 TRP 14 2HB TRP 14 -1.062 -8.281 3.589 98 HD1 TRP 14 HD1 TRP 14 -4.357 -9.520 2.039 99 HE1 TRP 14 HE1 TRP 14 -4.376 -8.840 -0.455 100 HE3 TRP 14 HE3 TRP 14 0.411 -7.753 1.649 101 HZ2 TRP 14 HZ2 TRP 14 -2.597 -7.712 -2.322 102 HZ3 TRP 14 HZ3 TRP 14 1.178 -6.887 -0.511 103 HH2 TRP 14 HH2 TRP 14 -0.293 -6.868 -2.465 104 H TYR 15 H TYR 15 1.085 -9.686 3.315 105 HA TYR 15 HA TYR 15 1.526 -10.472 0.676 106 HB2 TYR 15 1HB TYR 15 3.069 -8.933 1.585 107 HB3 TYR 15 2HB TYR 15 3.420 -9.975 2.964 108 HD1 TYR 15 HD2 TYR 15 3.541 -10.237 -0.773 109 HD2 TYR 15 HD1 TYR 15 5.491 -10.977 2.936 110 HE1 TYR 15 HE2 TYR 15 5.445 -11.221 -1.975 111 HE2 TYR 15 HE1 TYR 15 7.398 -11.967 1.744 112 HH TYR 15 HH TYR 15 7.849 -11.630 -1.591 113 H GLU 16 H GLU 16 2.521 -12.166 3.669 114 HA GLU 16 HA GLU 16 3.759 -14.279 2.270 115 HB2 GLU 16 1HB GLU 16 3.996 -13.542 4.761 116 HB3 GLU 16 2HB GLU 16 2.653 -14.648 5.031 117 HG2 GLU 16 1HG GLU 16 3.956 -16.461 4.031 118 HG3 GLU 16 2HG GLU 16 5.304 -15.351 3.798 119 H HIS 17 H HIS 17 0.474 -13.680 3.155 120 HA HIS 17 HA HIS 17 -0.498 -16.330 2.798 121 HB2 HIS 17 1HB HIS 17 -1.800 -14.648 4.003 122 HB3 HIS 17 2HB HIS 17 -1.912 -13.663 2.549 123 HD1 HIS 17 HD1 HIS 17 -3.218 -16.869 4.045 124 HD2 HIS 17 HD2 HIS 17 -3.920 -14.373 0.787 125 HE1 HIS 17 HE1 HIS 17 -5.362 -17.682 3.014 126 HE2 HIS 17 HE2 HIS 17 -5.826 -16.101 1.101 127 H LYS 18 H LYS 18 -0.636 -13.461 0.651 128 HA LYS 18 HA LYS 18 -1.540 -15.092 -1.540 129 HB2 LYS 18 1HB LYS 18 -0.900 -12.180 -1.255 130 HB3 LYS 18 2HB LYS 18 -1.179 -12.890 -2.839 131 HG2 LYS 18 1HG LYS 18 -3.372 -13.746 -1.924 132 HG3 LYS 18 2HG LYS 18 -3.089 -12.703 -0.529 133 HD2 LYS 18 1HD LYS 18 -3.103 -10.751 -1.892 134 HD3 LYS 18 2HD LYS 18 -3.085 -11.711 -3.371 135 HE2 LYS 18 1HE LYS 18 -5.300 -12.636 -2.720 136 HE3 LYS 18 2HE LYS 18 -5.319 -11.519 -1.357 137 HZ1 LYS 18 3HZ LYS 18 -5.288 -9.668 -2.859 138 HZ2 LYS 18 1HZ LYS 18 -6.554 -10.705 -3.309 139 HZ3 LYS 18 2HZ LYS 18 -5.117 -10.695 -4.203 140 H LYS 19 H LYS 19 1.446 -14.583 -0.223 141 HA LYS 19 HA LYS 19 3.122 -14.495 -2.480 142 HB2 LYS 19 1HB LYS 19 3.846 -14.151 -0.113 143 HB3 LYS 19 2HB LYS 19 3.633 -15.873 0.166 144 HG2 LYS 19 1HG LYS 19 5.337 -16.313 -1.579 145 HG3 LYS 19 2HG LYS 19 5.608 -14.572 -1.693 146 HD2 LYS 19 1HD LYS 19 6.233 -14.519 0.673 147 HD3 LYS 19 2HD LYS 19 5.958 -16.258 0.785 148 HE2 LYS 19 1HE LYS 19 7.698 -16.568 -0.977 149 HE3 LYS 19 2HE LYS 19 8.038 -14.841 -0.870 150 HZ1 LYS 19 3HZ LYS 19 8.261 -16.774 1.376 151 HZ2 LYS 19 1HZ LYS 19 8.640 -15.122 1.443 152 HZ3 LYS 19 2HZ LYS 19 9.562 -16.166 0.474 153 H GLN 20 H GLN 20 1.147 -16.966 -1.136 154 HA GLN 20 HA GLN 20 2.486 -19.131 -2.525 155 HB2 GLN 20 1HB GLN 20 -0.136 -19.083 -1.017 156 HB3 GLN 20 2HB GLN 20 0.684 -20.526 -1.599 157 HG2 GLN 20 1HG GLN 20 2.544 -20.107 -0.116 158 HG3 GLN 20 2HG GLN 20 1.803 -18.600 0.420 159 HE21 GLN 20 2HE2 GLN 20 2.589 -20.958 1.941 160 HE22 GLN 20 1HE2 GLN 20 1.158 -21.505 2.747 161 H VAL 21 H VAL 21 0.182 -16.766 -3.234 162 HA VAL 21 HA VAL 21 -1.252 -18.335 -5.215 163 HB VAL 21 HB VAL 21 -1.493 -15.393 -4.564 164 HG11 VAL 21 1HG1 VAL 21 -3.314 -17.213 -6.130 165 HG12 VAL 21 2HG1 VAL 21 -2.311 -15.922 -6.790 166 HG13 VAL 21 3HG1 VAL 21 -3.653 -15.534 -5.713 167 HG21 VAL 21 3HG2 VAL 21 -2.062 -16.740 -2.628 168 HG22 VAL 21 1HG2 VAL 21 -3.151 -17.724 -3.604 169 HG23 VAL 21 2HG2 VAL 21 -3.517 -16.023 -3.319 170 H TRP 22 H TRP 22 0.735 -15.402 -5.151 171 HA TRP 22 HA TRP 22 1.000 -15.356 -8.018 172 HB2 TRP 22 1HB TRP 22 2.578 -13.783 -5.974 173 HB3 TRP 22 2HB TRP 22 2.407 -13.417 -7.685 174 HD1 TRP 22 HD1 TRP 22 -0.725 -13.603 -7.999 175 HE1 TRP 22 HE1 TRP 22 -2.234 -11.841 -6.881 176 HE3 TRP 22 HE3 TRP 22 2.511 -11.924 -4.407 177 HZ2 TRP 22 HZ2 TRP 22 -2.067 -9.978 -4.769 178 HZ3 TRP 22 HZ3 TRP 22 1.759 -10.143 -2.883 179 HH2 TRP 22 HH2 TRP 22 -0.484 -9.195 -3.061 180 H SER 23 H SER 23 3.301 -15.162 -8.939 181 HA SER 23 HA SER 23 4.762 -17.530 -8.271 182 HB2 SER 23 1HB SER 23 6.376 -16.668 -9.995 183 HB3 SER 23 2HB SER 23 4.718 -16.822 -10.575 184 HG SER 23 HG SER 23 4.465 -14.631 -10.456 185 H VAL 24 H VAL 24 6.893 -17.637 -7.420 186 HA VAL 24 HA VAL 24 7.302 -16.017 -5.174 187 HB VAL 24 HB VAL 24 8.207 -18.289 -5.348 188 HG11 VAL 24 1HG1 VAL 24 8.913 -18.282 -7.667 189 HG12 VAL 24 2HG1 VAL 24 10.258 -18.729 -6.617 190 HG13 VAL 24 3HG1 VAL 24 10.173 -17.105 -7.300 191 HG21 VAL 24 3HG2 VAL 24 9.151 -16.798 -3.692 192 HG22 VAL 24 1HG2 VAL 24 10.303 -16.174 -4.871 193 HG23 VAL 24 2HG2 VAL 24 10.409 -17.852 -4.340 194 H GLY 25 H GLY 25 8.618 -15.792 -8.439 195 HA2 GLY 25 1HA GLY 25 10.567 -13.805 -7.880 196 HA3 GLY 25 2HA GLY 25 9.887 -14.170 -9.459 197 H TYR 26 H TYR 26 7.206 -13.629 -8.980 198 HA TYR 26 HA TYR 26 7.190 -10.793 -9.204 199 HB2 TYR 26 1HB TYR 26 5.584 -12.251 -10.401 200 HB3 TYR 26 2HB TYR 26 4.855 -12.687 -8.859 201 HD1 TYR 26 HD2 TYR 26 5.332 -9.966 -11.291 202 HD2 TYR 26 HD1 TYR 26 3.334 -11.203 -7.745 203 HE1 TYR 26 HE2 TYR 26 3.829 -8.031 -11.471 204 HE2 TYR 26 HE1 TYR 26 1.822 -9.271 -7.920 205 HH TYR 26 HH TYR 26 1.333 -7.560 -10.595 206 H ALA 27 H ALA 27 6.247 -13.081 -6.682 207 HA ALA 27 HA ALA 27 5.072 -11.237 -4.916 208 HB1 ALA 27 3HB ALA 27 6.482 -13.821 -4.259 209 HB2 ALA 27 1HB ALA 27 4.785 -13.656 -4.711 210 HB3 ALA 27 2HB ALA 27 5.370 -12.947 -3.206 211 H THR 28 H THR 28 8.413 -12.397 -5.199 212 HA THR 28 HA THR 28 9.448 -11.017 -2.980 213 HB THR 28 HB THR 28 10.889 -11.765 -5.536 214 HG1 THR 28 HG1 THR 28 10.126 -13.645 -4.680 215 HG21 THR 28 3HG2 THR 28 12.160 -10.170 -4.187 216 HG22 THR 28 1HG2 THR 28 12.906 -11.767 -4.127 217 HG23 THR 28 2HG2 THR 28 11.949 -11.190 -2.763 218 H GLU 29 H GLU 29 9.153 -10.074 -6.394 219 HA GLU 29 HA GLU 29 10.444 -7.570 -6.097 220 HB2 GLU 29 1HB GLU 29 10.049 -8.802 -8.266 221 HB3 GLU 29 2HB GLU 29 8.372 -8.284 -8.173 222 HG2 GLU 29 1HG GLU 29 9.631 -6.830 -9.640 223 HG3 GLU 29 2HG GLU 29 9.090 -5.948 -8.210 224 H LEU 30 H LEU 30 7.024 -8.531 -6.113 225 HA LEU 30 HA LEU 30 5.887 -5.997 -5.876 226 HB2 LEU 30 1HB LEU 30 4.624 -8.050 -6.380 227 HB3 LEU 30 2HB LEU 30 4.884 -8.615 -4.744 228 HG LEU 30 HG LEU 30 3.490 -6.001 -5.112 229 HD11 LEU 30 1HD1 LEU 30 2.415 -7.460 -6.751 230 HD12 LEU 30 2HD1 LEU 30 1.348 -7.135 -5.385 231 HD13 LEU 30 3HD1 LEU 30 2.179 -8.687 -5.506 232 HD21 LEU 30 3HD2 LEU 30 3.132 -8.311 -3.206 233 HD22 LEU 30 1HD2 LEU 30 2.271 -6.772 -3.139 234 HD23 LEU 30 2HD2 LEU 30 4.014 -6.821 -2.869 235 H ALA 31 H ALA 31 6.889 -8.263 -3.325 236 HA ALA 31 HA ALA 31 6.139 -6.596 -1.172 237 HB1 ALA 31 3HB ALA 31 7.597 -8.052 0.185 238 HB2 ALA 31 1HB ALA 31 8.182 -8.810 -1.296 239 HB3 ALA 31 2HB ALA 31 6.482 -8.960 -0.838 240 H LYS 32 H LYS 32 9.127 -6.929 -3.031 241 HA LYS 32 HA LYS 32 10.725 -5.255 -1.431 242 HB2 LYS 32 1HB LYS 32 11.688 -6.719 -3.148 243 HB3 LYS 32 2HB LYS 32 10.915 -5.761 -4.407 244 HG2 LYS 32 1HG LYS 32 12.240 -3.804 -3.675 245 HG3 LYS 32 2HG LYS 32 13.064 -4.839 -2.509 246 HD2 LYS 32 1HD LYS 32 13.970 -6.195 -4.278 247 HD3 LYS 32 2HD LYS 32 13.028 -5.318 -5.484 248 HE2 LYS 32 1HE LYS 32 15.247 -4.201 -3.775 249 HE3 LYS 32 2HE LYS 32 15.328 -4.553 -5.500 250 HZ1 LYS 32 3HZ LYS 32 13.916 -2.367 -4.116 251 HZ2 LYS 32 1HZ LYS 32 13.340 -2.916 -5.619 252 HZ3 LYS 32 2HZ LYS 32 14.917 -2.306 -5.484 253 H MET 33 H MET 33 8.668 -4.533 -4.251 254 HA MET 33 HA MET 33 9.241 -1.806 -4.470 255 HB2 MET 33 1HB MET 33 6.536 -3.091 -4.905 256 HB3 MET 33 2HB MET 33 7.069 -1.551 -5.556 257 HG2 MET 33 1HG MET 33 8.822 -2.780 -6.833 258 HG3 MET 33 2HG MET 33 8.087 -4.285 -6.279 259 HE1 MET 33 3HE MET 33 4.959 -3.085 -6.290 260 HE2 MET 33 1HE MET 33 5.371 -4.748 -6.716 261 HE3 MET 33 2HE MET 33 4.417 -3.765 -7.826 262 H PHE 34 H PHE 34 7.008 -3.522 -2.376 263 HA PHE 34 HA PHE 34 5.718 -1.191 -1.363 264 HB2 PHE 34 1HB PHE 34 4.944 -3.691 -1.410 265 HB3 PHE 34 2HB PHE 34 5.805 -3.785 0.123 266 HD1 PHE 34 HD1 PHE 34 2.944 -2.379 -1.643 267 HD2 PHE 34 HD2 PHE 34 4.991 -2.613 2.079 268 HE1 PHE 34 HE1 PHE 34 0.968 -1.457 -0.503 269 HE2 PHE 34 HE2 PHE 34 3.019 -1.690 3.223 270 HZ PHE 34 HZ PHE 34 1.005 -1.115 1.930 271 H ASP 35 H ASP 35 8.206 -3.391 -0.142 272 HA ASP 35 HA ASP 35 8.756 -2.124 2.289 273 HB2 ASP 35 1HB ASP 35 9.610 -4.355 1.612 274 HB3 ASP 35 2HB ASP 35 10.660 -3.586 0.432 275 H ASP 36 H ASP 36 10.356 -1.803 -0.835 276 HA ASP 36 HA ASP 36 12.406 -0.098 -0.157 277 HB2 ASP 36 1HB ASP 36 11.595 -1.364 -2.417 278 HB3 ASP 36 2HB ASP 36 11.265 0.310 -2.842 279 H ASP 37 H ASP 37 9.158 0.828 -1.324 280 HA ASP 37 HA ASP 37 9.999 3.634 -0.993 281 HB2 ASP 37 1HB ASP 37 7.925 2.451 -2.842 282 HB3 ASP 37 2HB ASP 37 8.159 4.180 -2.603 283 H ILE 38 H ILE 38 7.308 1.411 -0.399 284 HA ILE 38 HA ILE 38 5.592 3.410 0.657 285 HB ILE 38 HB ILE 38 5.499 0.397 0.818 286 HG12 ILE 38 1HG1 ILE 38 3.525 0.627 -0.614 287 HG13 ILE 38 2HG1 ILE 38 3.687 2.376 -0.581 288 HG21 ILE 38 1HG2 ILE 38 3.494 2.353 1.928 289 HG22 ILE 38 2HG2 ILE 38 4.520 1.262 2.859 290 HG23 ILE 38 3HG2 ILE 38 3.265 0.608 1.806 291 HD11 ILE 38 3HD1 ILE 38 4.473 1.266 -2.664 292 HD12 ILE 38 1HD1 ILE 38 5.767 0.539 -1.717 293 HD13 ILE 38 2HD1 ILE 38 5.673 2.289 -1.873 294 H LEU 39 H LEU 39 7.923 1.160 2.129 295 HA LEU 39 HA LEU 39 6.886 1.425 4.733 296 HB2 LEU 39 1HB LEU 39 9.614 0.568 3.823 297 HB3 LEU 39 2HB LEU 39 9.076 0.495 5.492 298 HG LEU 39 HG LEU 39 8.162 -1.134 3.146 299 HD11 LEU 39 1HD1 LEU 39 8.550 -2.977 4.694 300 HD12 LEU 39 2HD1 LEU 39 9.001 -1.828 5.953 301 HD13 LEU 39 3HD1 LEU 39 9.990 -1.978 4.500 302 HD21 LEU 39 3HD2 LEU 39 6.125 -0.244 4.168 303 HD22 LEU 39 1HD2 LEU 39 6.666 -0.815 5.746 304 HD23 LEU 39 2HD2 LEU 39 6.295 -1.974 4.470 305 HA PRO 40 HA PRO 40 10.420 4.807 5.410 306 HB2 PRO 40 1HB PRO 40 10.242 5.921 2.649 307 HB3 PRO 40 2HB PRO 40 11.627 5.848 3.746 308 HG2 PRO 40 1HG PRO 40 11.458 4.180 1.689 309 HG3 PRO 40 2HG PRO 40 12.061 3.622 3.260 310 HD2 PRO 40 1HD PRO 40 9.397 3.174 1.983 311 HD3 PRO 40 2HD PRO 40 10.371 2.076 2.985 312 H ILE 41 H ILE 41 7.560 4.946 3.388 313 HA ILE 41 HA ILE 41 6.977 7.686 4.176 314 HB ILE 41 HB ILE 41 5.260 5.856 2.498 315 HG12 ILE 41 1HG1 ILE 41 7.478 6.113 1.462 316 HG13 ILE 41 2HG1 ILE 41 6.240 6.949 0.533 317 HG21 ILE 41 1HG2 ILE 41 5.316 8.864 2.753 318 HG22 ILE 41 2HG2 ILE 41 4.098 7.789 3.440 319 HG23 ILE 41 3HG2 ILE 41 4.258 7.934 1.688 320 HD11 ILE 41 3HD1 ILE 41 6.953 9.074 1.500 321 HD12 ILE 41 1HD1 ILE 41 8.272 8.259 0.662 322 HD13 ILE 41 2HD1 ILE 41 8.198 8.234 2.424 323 H ILE 42 H ILE 42 5.107 4.612 4.267 324 HA ILE 42 HA ILE 42 3.850 5.632 6.738 325 HB ILE 42 HB ILE 42 1.702 4.718 6.062 326 HG12 ILE 42 1HG1 ILE 42 2.719 4.296 3.274 327 HG13 ILE 42 2HG1 ILE 42 2.906 3.020 4.473 328 HG21 ILE 42 1HG2 ILE 42 2.143 7.042 5.559 329 HG22 ILE 42 2HG2 ILE 42 1.155 6.325 4.283 330 HG23 ILE 42 3HG2 ILE 42 2.878 6.593 4.020 331 HD11 ILE 42 3HD1 ILE 42 0.498 3.020 4.843 332 HD12 ILE 42 1HD1 ILE 42 0.906 2.684 3.158 333 HD13 ILE 42 2HD1 ILE 42 0.314 4.280 3.620 334 H GLY 43 H GLY 43 5.848 3.346 5.782 335 HA2 GLY 43 1HA GLY 43 4.599 0.889 6.352 336 HA3 GLY 43 2HA GLY 43 6.328 1.187 6.411 337 H GLY 44 H GLY 44 6.285 3.175 8.435 338 HA2 GLY 44 1HA GLY 44 6.014 1.388 10.719 339 HA3 GLY 44 2HA GLY 44 6.835 2.942 10.699 340 H LEU 45 H LEU 45 3.813 3.165 9.216 341 HA LEU 45 HA LEU 45 2.733 4.461 11.609 342 HB2 LEU 45 1HB LEU 45 1.863 4.489 8.718 343 HB3 LEU 45 2HB LEU 45 0.977 5.284 10.005 344 HG LEU 45 HG LEU 45 3.831 5.942 9.268 345 HD11 LEU 45 1HD1 LEU 45 2.320 6.478 7.425 346 HD12 LEU 45 2HD1 LEU 45 2.920 7.940 8.207 347 HD13 LEU 45 3HD1 LEU 45 1.281 7.375 8.534 348 HD21 LEU 45 3HD2 LEU 45 1.820 7.375 11.002 349 HD22 LEU 45 1HD2 LEU 45 3.453 7.927 10.630 350 HD23 LEU 45 2HD2 LEU 45 3.213 6.461 11.581 351 H GLU 46 H GLU 46 0.529 4.035 12.270 352 HA GLU 46 HA GLU 46 -0.160 1.236 12.049 353 HB2 GLU 46 1HB GLU 46 -1.518 3.529 13.476 354 HB3 GLU 46 2HB GLU 46 -2.083 1.865 13.525 355 HG2 GLU 46 1HG GLU 46 0.133 1.236 14.497 356 HG3 GLU 46 2HG GLU 46 0.495 2.959 14.617 357 H ILE 47 H ILE 47 -1.914 0.394 10.994 358 HA ILE 47 HA ILE 47 -2.691 1.726 8.626 359 HB ILE 47 HB ILE 47 -2.520 -0.782 9.036 360 HG12 ILE 47 1HG1 ILE 47 -5.100 0.111 7.749 361 HG13 ILE 47 2HG1 ILE 47 -3.521 0.349 7.005 362 HG21 ILE 47 1HG2 ILE 47 -5.273 -0.329 10.177 363 HG22 ILE 47 2HG2 ILE 47 -3.856 -0.907 11.052 364 HG23 ILE 47 3HG2 ILE 47 -4.576 -1.901 9.784 365 HD11 ILE 47 3HD1 ILE 47 -3.160 -2.040 6.947 366 HD12 ILE 47 1HD1 ILE 47 -4.669 -1.621 6.136 367 HD13 ILE 47 2HD1 ILE 47 -4.701 -2.309 7.759 368 H GLN 48 H GLN 48 -3.852 1.967 11.777 369 HA GLN 48 HA GLN 48 -6.570 2.675 11.040 370 HB2 GLN 48 1HB GLN 48 -5.198 2.789 13.728 371 HB3 GLN 48 2HB GLN 48 -6.919 2.990 13.437 372 HG2 GLN 48 1HG GLN 48 -7.033 0.678 12.626 373 HG3 GLN 48 2HG GLN 48 -5.316 0.486 12.977 374 HE21 GLN 48 2HE2 GLN 48 -7.603 -0.948 14.049 375 HE22 GLN 48 1HE2 GLN 48 -7.546 -0.731 15.767 376 H ASP 49 H ASP 49 -3.571 4.205 11.272 377 HA ASP 49 HA ASP 49 -4.857 6.828 11.381 378 HB2 ASP 49 1HB ASP 49 -4.091 6.237 13.690 379 HB3 ASP 49 2HB ASP 49 -2.446 6.139 13.072 380 H ILE 50 H ILE 50 -4.412 6.789 9.141 381 HA ILE 50 HA ILE 50 -1.655 7.633 8.555 382 HB ILE 50 HB ILE 50 -3.332 5.777 6.850 383 HG12 ILE 50 1HG1 ILE 50 -0.591 5.433 8.080 384 HG13 ILE 50 2HG1 ILE 50 -2.076 4.713 8.691 385 HG21 ILE 50 1HG2 ILE 50 -0.700 7.090 6.180 386 HG22 ILE 50 2HG2 ILE 50 -2.260 7.447 5.437 387 HG23 ILE 50 3HG2 ILE 50 -1.518 5.864 5.211 388 HD11 ILE 50 3HD1 ILE 50 -2.297 3.417 6.649 389 HD12 ILE 50 1HD1 ILE 50 -0.743 3.119 7.430 390 HD13 ILE 50 2HD1 ILE 50 -0.830 4.161 6.010 391 H GLU 51 H GLU 51 -1.552 9.520 7.487 392 HA GLU 51 HA GLU 51 -3.990 10.926 6.920 393 HB2 GLU 51 1HB GLU 51 -1.121 11.710 6.377 394 HB3 GLU 51 2HB GLU 51 -2.512 12.777 6.249 395 HG2 GLU 51 1HG GLU 51 -2.938 12.362 8.680 396 HG3 GLU 51 2HG GLU 51 -1.391 11.515 8.734 397 HA PRO 52 HA PRO 52 -4.601 9.761 2.694 398 HB2 PRO 52 1HB PRO 52 -5.554 12.255 1.850 399 HB3 PRO 52 2HB PRO 52 -6.531 10.932 2.488 400 HG2 PRO 52 1HG PRO 52 -5.509 13.367 3.859 401 HG3 PRO 52 2HG PRO 52 -7.032 12.492 4.099 402 HD2 PRO 52 1HD PRO 52 -4.992 12.286 5.837 403 HD3 PRO 52 2HD PRO 52 -6.048 10.906 5.470 404 H MET 53 H MET 53 -3.035 12.869 3.444 405 HA MET 53 HA MET 53 -1.833 13.180 0.894 406 HB2 MET 53 1HB MET 53 -1.195 14.374 3.583 407 HB3 MET 53 2HB MET 53 -0.289 14.777 2.131 408 HG2 MET 53 1HG MET 53 -3.239 15.197 2.553 409 HG3 MET 53 2HG MET 53 -1.992 16.442 2.601 410 HE1 MET 53 3HE MET 53 -0.546 17.159 0.468 411 HE2 MET 53 1HE MET 53 -0.743 16.433 -1.130 412 HE3 MET 53 2HE MET 53 -0.096 15.473 0.201 413 H GLN 54 H GLN 54 -0.876 11.453 3.779 414 HA GLN 54 HA GLN 54 1.820 10.994 2.930 415 HB2 GLN 54 1HB GLN 54 0.074 9.869 5.088 416 HB3 GLN 54 2HB GLN 54 1.602 9.089 4.697 417 HG2 GLN 54 1HG GLN 54 2.824 11.051 5.207 418 HG3 GLN 54 2HG GLN 54 1.345 11.996 5.388 419 HE21 GLN 54 2HE2 GLN 54 3.484 11.619 7.280 420 HE22 GLN 54 1HE2 GLN 54 2.771 10.916 8.692 421 H LEU 55 H LEU 55 -1.225 9.253 2.690 422 HA LEU 55 HA LEU 55 -0.147 6.942 1.456 423 HB2 LEU 55 1HB LEU 55 -2.455 7.219 2.496 424 HB3 LEU 55 2HB LEU 55 -2.917 8.063 1.030 425 HG LEU 55 HG LEU 55 -2.451 6.045 -0.290 426 HD11 LEU 55 1HD1 LEU 55 -1.846 4.789 2.386 427 HD12 LEU 55 2HD1 LEU 55 -0.694 5.083 1.082 428 HD13 LEU 55 3HD1 LEU 55 -2.002 3.921 0.858 429 HD21 LEU 55 3HD2 LEU 55 -4.302 4.670 0.568 430 HD22 LEU 55 1HD2 LEU 55 -4.701 6.388 0.548 431 HD23 LEU 55 2HD2 LEU 55 -4.278 5.599 2.067 432 H LEU 56 H LEU 56 -1.313 10.044 0.283 433 HA LEU 56 HA LEU 56 -0.987 9.485 -2.482 434 HB2 LEU 56 1HB LEU 56 -2.431 11.285 -1.695 435 HB3 LEU 56 2HB LEU 56 -1.069 12.104 -0.970 436 HG LEU 56 HG LEU 56 -2.078 12.943 -3.231 437 HD11 LEU 56 1HD1 LEU 56 0.890 12.683 -2.810 438 HD12 LEU 56 2HD1 LEU 56 -0.159 13.933 -2.143 439 HD13 LEU 56 3HD1 LEU 56 0.096 13.834 -3.885 440 HD21 LEU 56 3HD2 LEU 56 -0.278 10.718 -4.166 441 HD22 LEU 56 1HD2 LEU 56 -0.801 12.064 -5.184 442 HD23 LEU 56 2HD2 LEU 56 -1.992 10.941 -4.520 443 H GLU 57 H GLU 57 1.154 10.704 0.041 444 HA GLU 57 HA GLU 57 3.287 11.499 -1.601 445 HB2 GLU 57 1HB GLU 57 3.082 11.973 0.846 446 HB3 GLU 57 2HB GLU 57 3.489 10.292 1.166 447 HG2 GLU 57 1HG GLU 57 5.667 10.597 0.152 448 HG3 GLU 57 2HG GLU 57 5.261 12.261 -0.266 449 H VAL 58 H VAL 58 2.308 8.358 -0.399 450 HA VAL 58 HA VAL 58 4.534 6.860 -1.263 451 HB VAL 58 HB VAL 58 1.633 6.080 -0.932 452 HG11 VAL 58 1HG1 VAL 58 2.366 3.765 -0.963 453 HG12 VAL 58 2HG1 VAL 58 4.019 4.275 -1.305 454 HG13 VAL 58 3HG1 VAL 58 2.745 4.555 -2.494 455 HG21 VAL 58 3HG2 VAL 58 2.796 6.817 1.115 456 HG22 VAL 58 1HG2 VAL 58 4.029 5.582 0.831 457 HG23 VAL 58 2HG2 VAL 58 2.364 5.104 1.165 458 H ILE 59 H ILE 59 1.374 7.372 -2.809 459 HA ILE 59 HA ILE 59 1.969 6.178 -5.275 460 HB ILE 59 HB ILE 59 -0.052 8.175 -4.366 461 HG12 ILE 59 1HG1 ILE 59 -1.622 6.473 -5.287 462 HG13 ILE 59 2HG1 ILE 59 -0.235 5.483 -5.720 463 HG21 ILE 59 1HG2 ILE 59 0.581 9.086 -6.515 464 HG22 ILE 59 2HG2 ILE 59 -1.018 8.349 -6.615 465 HG23 ILE 59 3HG2 ILE 59 0.387 7.501 -7.267 466 HD11 ILE 59 3HD1 ILE 59 -1.263 4.719 -3.663 467 HD12 ILE 59 1HD1 ILE 59 -1.016 6.305 -2.935 468 HD13 ILE 59 2HD1 ILE 59 0.373 5.308 -3.366 469 H ARG 60 H ARG 60 2.378 9.468 -4.117 470 HA ARG 60 HA ARG 60 3.258 10.622 -6.538 471 HB2 ARG 60 1HB ARG 60 2.459 11.693 -4.284 472 HB3 ARG 60 2HB ARG 60 4.163 11.607 -3.856 473 HG2 ARG 60 1HG ARG 60 3.643 13.779 -4.746 474 HG3 ARG 60 2HG ARG 60 4.713 12.916 -5.854 475 HD2 ARG 60 1HD ARG 60 2.819 12.326 -7.257 476 HD3 ARG 60 2HD ARG 60 1.715 13.116 -6.133 477 HE ARG 60 HE ARG 60 3.531 15.037 -6.845 478 HH11 ARG 60 1HH1 ARG 60 1.253 12.979 -8.526 479 HH12 ARG 60 2HH1 ARG 60 0.965 14.131 -9.804 480 HH21 ARG 60 1HH2 ARG 60 3.197 16.540 -8.534 481 HH22 ARG 60 2HH2 ARG 60 2.086 16.150 -9.814 482 H ARG 61 H ARG 61 4.878 8.887 -3.973 483 HA ARG 61 HA ARG 61 7.539 9.420 -4.632 484 HB2 ARG 61 1HB ARG 61 6.910 8.228 -2.589 485 HB3 ARG 61 2HB ARG 61 6.308 6.876 -3.539 486 HG2 ARG 61 1HG ARG 61 8.486 6.380 -2.586 487 HG3 ARG 61 2HG ARG 61 8.568 6.433 -4.350 488 HD2 ARG 61 1HD ARG 61 9.211 8.936 -3.939 489 HD3 ARG 61 2HD ARG 61 9.647 8.352 -2.334 490 HE ARG 61 HE ARG 61 11.130 6.732 -3.526 491 HH11 ARG 61 1HH1 ARG 61 10.194 9.756 -4.986 492 HH12 ARG 61 2HH1 ARG 61 11.560 9.834 -6.057 493 HH21 ARG 61 1HH2 ARG 61 12.949 6.812 -4.899 494 HH22 ARG 61 2HH2 ARG 61 13.143 8.152 -5.988 495 H PHE 62 H PHE 62 5.280 6.972 -5.857 496 HA PHE 62 HA PHE 62 7.146 5.896 -7.739 497 HB2 PHE 62 1HB PHE 62 4.160 5.637 -7.456 498 HB3 PHE 62 2HB PHE 62 5.053 4.874 -8.769 499 HD1 PHE 62 HD1 PHE 62 6.734 3.138 -8.282 500 HD2 PHE 62 HD2 PHE 62 4.225 4.756 -5.252 501 HE1 PHE 62 HE1 PHE 62 7.267 1.227 -6.825 502 HE2 PHE 62 HE2 PHE 62 4.752 2.849 -3.794 503 HZ PHE 62 HZ PHE 62 6.272 1.081 -4.579 504 H GLU 63 H GLU 63 4.845 8.524 -7.823 505 HA GLU 63 HA GLU 63 4.930 8.890 -10.644 506 HB2 GLU 63 1HB GLU 63 4.217 10.794 -8.416 507 HB3 GLU 63 2HB GLU 63 4.110 11.211 -10.120 508 HG2 GLU 63 1HG GLU 63 2.603 9.161 -10.341 509 HG3 GLU 63 2HG GLU 63 2.502 9.208 -8.581 510 H ASP 64 H ASP 64 6.857 10.120 -7.957 511 HA ASP 64 HA ASP 64 8.515 11.858 -9.426 512 HB2 ASP 64 1HB ASP 64 8.574 11.859 -6.994 513 HB3 ASP 64 2HB ASP 64 9.132 10.189 -6.972 514 H ARG 65 H ARG 65 8.716 8.406 -8.753 515 HA ARG 65 HA ARG 65 11.064 7.878 -10.220 516 HB2 ARG 65 1HB ARG 65 10.338 6.209 -8.715 517 HB3 ARG 65 2HB ARG 65 8.715 6.194 -9.382 518 HG2 ARG 65 1HG ARG 65 9.422 5.026 -11.319 519 HG3 ARG 65 2HG ARG 65 11.126 5.277 -10.927 520 HD2 ARG 65 1HD ARG 65 9.226 3.722 -9.180 521 HD3 ARG 65 2HD ARG 65 10.233 2.981 -10.426 522 HE ARG 65 HE ARG 65 12.144 4.048 -9.142 523 HH11 ARG 65 1HH1 ARG 65 9.205 2.926 -7.603 524 HH12 ARG 65 2HH1 ARG 65 9.970 2.631 -6.069 525 HH21 ARG 65 1HH2 ARG 65 13.155 3.643 -7.154 526 HH22 ARG 65 2HH2 ARG 65 12.220 3.016 -5.823 527 H GLY 66 H GLY 66 7.747 8.352 -11.146 528 HA2 GLY 66 1HA GLY 66 7.044 9.010 -13.279 529 HA3 GLY 66 2HA GLY 66 8.576 8.450 -13.934 530 H ALA 67 H ALA 67 6.664 6.474 -11.817 531 HA ALA 67 HA ALA 67 6.103 4.684 -14.088 532 HB1 ALA 67 3HB ALA 67 6.454 3.983 -11.173 533 HB2 ALA 67 1HB ALA 67 7.657 3.750 -12.442 534 HB3 ALA 67 2HB ALA 67 6.144 2.844 -12.484 535 H MET 68 H MET 68 4.101 5.408 -14.682 536 HA MET 68 HA MET 68 2.066 6.198 -12.893 537 HB2 MET 68 1HB MET 68 1.966 5.317 -15.778 538 HB3 MET 68 2HB MET 68 0.554 5.884 -14.906 539 HG2 MET 68 1HG MET 68 3.051 7.517 -15.251 540 HG3 MET 68 2HG MET 68 1.687 7.572 -16.363 541 HE1 MET 68 3HE MET 68 2.162 7.531 -12.409 542 HE2 MET 68 1HE MET 68 1.762 9.210 -12.053 543 HE3 MET 68 2HE MET 68 3.185 8.830 -13.023 544 H GLU 69 H GLU 69 2.479 3.206 -14.736 545 HA GLU 69 HA GLU 69 0.234 1.831 -13.869 546 HB2 GLU 69 1HB GLU 69 2.979 0.744 -14.523 547 HB3 GLU 69 2HB GLU 69 1.519 -0.226 -14.398 548 HG2 GLU 69 1HG GLU 69 0.559 0.863 -16.300 549 HG3 GLU 69 2HG GLU 69 1.888 2.022 -16.363 550 H ARG 70 H ARG 70 3.463 1.967 -12.455 551 HA ARG 70 HA ARG 70 2.885 0.051 -10.426 552 HB2 ARG 70 1HB ARG 70 5.131 0.473 -11.468 553 HB3 ARG 70 2HB ARG 70 5.206 1.976 -10.559 554 HG2 ARG 70 1HG ARG 70 5.426 0.883 -8.528 555 HG3 ARG 70 2HG ARG 70 4.765 -0.628 -9.159 556 HD2 ARG 70 1HD ARG 70 7.405 0.567 -10.000 557 HD3 ARG 70 2HD ARG 70 7.222 -0.692 -8.778 558 HE ARG 70 HE ARG 70 5.956 -1.477 -11.185 559 HH11 ARG 70 1HH1 ARG 70 9.134 -1.095 -9.758 560 HH12 ARG 70 2HH1 ARG 70 9.871 -2.315 -10.763 561 HH21 ARG 70 1HH2 ARG 70 6.908 -3.088 -12.499 562 HH22 ARG 70 2HH2 ARG 70 8.600 -3.454 -12.317 563 H ALA 71 H ALA 71 2.522 3.481 -10.696 564 HA ALA 71 HA ALA 71 2.448 4.092 -7.922 565 HB1 ALA 71 3HB ALA 71 1.361 6.168 -8.598 566 HB2 ALA 71 1HB ALA 71 1.107 5.520 -10.218 567 HB3 ALA 71 2HB ALA 71 2.744 5.819 -9.634 568 H ASN 72 H ASN 72 -0.067 3.310 -10.306 569 HA ASN 72 HA ASN 72 -2.209 3.407 -8.437 570 HB2 ASN 72 1HB ASN 72 -1.933 2.185 -11.177 571 HB3 ASN 72 2HB ASN 72 -3.408 2.021 -10.228 572 HD21 ASN 72 2HD2 ASN 72 -2.891 3.380 -12.780 573 HD22 ASN 72 1HD2 ASN 72 -3.399 5.021 -12.545 574 H LYS 73 H LYS 73 0.015 0.916 -9.458 575 HA LYS 73 HA LYS 73 -1.359 -1.260 -8.271 576 HB2 LYS 73 1HB LYS 73 1.557 -0.910 -8.978 577 HB3 LYS 73 2HB LYS 73 0.847 -2.426 -8.432 578 HG2 LYS 73 1HG LYS 73 -0.609 -2.490 -10.346 579 HG3 LYS 73 2HG LYS 73 -0.042 -0.905 -10.869 580 HD2 LYS 73 1HD LYS 73 2.228 -1.851 -11.134 581 HD3 LYS 73 2HD LYS 73 1.581 -3.441 -10.711 582 HE2 LYS 73 1HE LYS 73 0.034 -3.293 -12.619 583 HE3 LYS 73 2HE LYS 73 0.740 -1.737 -13.054 584 HZ1 LYS 73 3HZ LYS 73 1.634 -3.585 -14.356 585 HZ2 LYS 73 1HZ LYS 73 2.227 -4.304 -12.942 586 HZ3 LYS 73 2HZ LYS 73 2.843 -2.808 -13.460 587 H ALA 74 H ALA 74 1.070 1.015 -7.068 588 HA ALA 74 HA ALA 74 1.388 -0.027 -4.490 589 HB1 ALA 74 3HB ALA 74 1.991 2.227 -3.813 590 HB2 ALA 74 1HB ALA 74 1.267 2.889 -5.280 591 HB3 ALA 74 2HB ALA 74 2.699 1.860 -5.386 592 H ARG 75 H ARG 75 -0.933 2.356 -5.692 593 HA ARG 75 HA ARG 75 -2.407 2.801 -3.395 594 HB2 ARG 75 1HB ARG 75 -2.652 4.150 -5.393 595 HB3 ARG 75 2HB ARG 75 -3.297 2.778 -6.281 596 HG2 ARG 75 1HG ARG 75 -5.223 2.759 -4.681 597 HG3 ARG 75 2HG ARG 75 -4.603 4.278 -4.026 598 HD2 ARG 75 1HD ARG 75 -4.760 5.292 -6.249 599 HD3 ARG 75 2HD ARG 75 -5.389 3.777 -6.894 600 HE ARG 75 HE ARG 75 -6.896 4.966 -4.714 601 HH11 ARG 75 1HH1 ARG 75 -6.540 4.523 -8.164 602 HH12 ARG 75 2HH1 ARG 75 -8.171 5.001 -8.530 603 HH21 ARG 75 1HH2 ARG 75 -9.057 5.602 -5.195 604 HH22 ARG 75 2HH2 ARG 75 -9.587 5.628 -6.844 605 H ARG 76 H ARG 76 -3.027 0.387 -5.947 606 HA ARG 76 HA ARG 76 -5.416 -0.598 -4.831 607 HB2 ARG 76 1HB ARG 76 -4.407 -0.928 -7.207 608 HB3 ARG 76 2HB ARG 76 -3.604 -2.320 -6.491 609 HG2 ARG 76 1HG ARG 76 -5.812 -3.196 -5.803 610 HG3 ARG 76 2HG ARG 76 -6.573 -1.837 -6.633 611 HD2 ARG 76 1HD ARG 76 -6.691 -3.514 -8.219 612 HD3 ARG 76 2HD ARG 76 -5.223 -2.657 -8.685 613 HE ARG 76 HE ARG 76 -4.617 -4.776 -6.901 614 HH11 ARG 76 1HH1 ARG 76 -5.466 -4.132 -10.234 615 HH12 ARG 76 2HH1 ARG 76 -4.831 -5.634 -10.828 616 HH21 ARG 76 1HH2 ARG 76 -3.780 -6.748 -7.662 617 HH22 ARG 76 2HH2 ARG 76 -3.865 -7.135 -9.356 618 H ARG 77 H ARG 77 -2.049 -1.527 -4.363 619 HA ARG 77 HA ARG 77 -2.607 -3.874 -2.858 620 HB2 ARG 77 1HB ARG 77 -0.152 -2.131 -3.012 621 HB3 ARG 77 2HB ARG 77 -0.229 -3.603 -2.056 622 HG2 ARG 77 1HG ARG 77 -0.654 -4.910 -4.059 623 HG3 ARG 77 2HG ARG 77 -0.634 -3.438 -5.035 624 HD2 ARG 77 1HD ARG 77 1.672 -4.498 -3.402 625 HD3 ARG 77 2HD ARG 77 1.498 -4.652 -5.150 626 HE ARG 77 HE ARG 77 1.354 -2.006 -4.841 627 HH11 ARG 77 1HH1 ARG 77 3.570 -4.356 -3.507 628 HH12 ARG 77 2HH1 ARG 77 4.909 -3.264 -3.437 629 HH21 ARG 77 1HH2 ARG 77 3.126 -0.539 -4.759 630 HH22 ARG 77 2HH2 ARG 77 4.652 -1.078 -4.144 631 H CYS 78 H CYS 78 -1.656 -0.574 -1.886 632 HA CYS 78 HA CYS 78 -1.810 -0.951 0.870 633 HB2 CYS 78 1HB CYS 78 -2.440 1.541 -0.727 634 HB3 CYS 78 2HB CYS 78 -2.143 1.498 1.007 635 HG CYS 78 HG CYS 78 0.370 1.922 0.781 636 H GLY 79 H GLY 79 -4.322 0.050 -1.431 637 HA2 GLY 79 1HA GLY 79 -6.414 0.393 0.399 638 HA3 GLY 79 2HA GLY 79 -6.608 -0.010 -1.300 639 H GLU 80 H GLU 80 -5.182 -2.535 -1.138 640 HA GLU 80 HA GLU 80 -7.371 -4.155 -0.249 641 HB2 GLU 80 1HB GLU 80 -5.891 -4.650 -2.250 642 HB3 GLU 80 2HB GLU 80 -4.652 -5.144 -1.103 643 HG2 GLU 80 1HG GLU 80 -6.080 -6.883 -0.242 644 HG3 GLU 80 2HG GLU 80 -7.406 -6.350 -1.273 645 H VAL 81 H VAL 81 -4.165 -3.351 0.974 646 HA VAL 81 HA VAL 81 -4.158 -5.156 3.149 647 HB VAL 81 HB VAL 81 -2.844 -2.430 2.987 648 HG11 VAL 81 1HG1 VAL 81 -1.353 -3.250 4.733 649 HG12 VAL 81 2HG1 VAL 81 -2.249 -4.767 4.801 650 HG13 VAL 81 3HG1 VAL 81 -3.027 -3.261 5.285 651 HG21 VAL 81 3HG2 VAL 81 -2.113 -3.876 1.180 652 HG22 VAL 81 1HG2 VAL 81 -1.771 -5.172 2.325 653 HG23 VAL 81 2HG2 VAL 81 -0.823 -3.687 2.367 654 H PHE 82 H PHE 82 -5.328 -1.816 2.817 655 HA PHE 82 HA PHE 82 -6.377 -1.505 5.395 656 HB2 PHE 82 1HB PHE 82 -7.172 -0.363 2.727 657 HB3 PHE 82 2HB PHE 82 -8.090 0.009 4.179 658 HD1 PHE 82 HD1 PHE 82 -6.705 0.944 6.180 659 HD2 PHE 82 HD2 PHE 82 -5.392 0.978 2.135 660 HE1 PHE 82 HE1 PHE 82 -5.157 2.784 6.704 661 HE2 PHE 82 HE2 PHE 82 -3.835 2.813 2.653 662 HZ PHE 82 HZ PHE 82 -3.717 3.717 4.938 663 H ARG 83 H ARG 83 -7.850 -2.827 2.457 664 HA ARG 83 HA ARG 83 -10.363 -3.473 3.495 665 HB2 ARG 83 1HB ARG 83 -9.873 -3.514 1.108 666 HB3 ARG 83 2HB ARG 83 -8.742 -4.837 1.336 667 HG2 ARG 83 1HG ARG 83 -10.579 -6.292 2.023 668 HG3 ARG 83 2HG ARG 83 -11.716 -4.962 1.793 669 HD2 ARG 83 1HD ARG 83 -11.171 -4.869 -0.571 670 HD3 ARG 83 2HD ARG 83 -9.951 -6.125 -0.362 671 HE ARG 83 HE ARG 83 -12.440 -7.089 0.539 672 HH11 ARG 83 1HH1 ARG 83 -10.839 -6.196 -2.471 673 HH12 ARG 83 2HH1 ARG 83 -11.747 -7.338 -3.423 674 HH21 ARG 83 1HH2 ARG 83 -13.602 -8.571 -0.709 675 HH22 ARG 83 2HH2 ARG 83 -13.306 -8.706 -2.417 676 H TYR 84 H TYR 84 -7.375 -5.364 3.359 677 HA TYR 84 HA TYR 84 -8.275 -7.739 4.515 678 HB2 TYR 84 1HB TYR 84 -6.053 -7.321 3.405 679 HB3 TYR 84 2HB TYR 84 -5.542 -6.489 4.867 680 HD1 TYR 84 HD2 TYR 84 -6.352 -9.739 3.379 681 HD2 TYR 84 HD1 TYR 84 -4.963 -7.739 6.870 682 HE1 TYR 84 HE2 TYR 84 -5.557 -11.882 4.285 683 HE2 TYR 84 HE1 TYR 84 -4.156 -9.876 7.777 684 HH TYR 84 HH TYR 84 -4.311 -12.146 7.561 685 H ALA 85 H ALA 85 -7.109 -4.752 5.977 686 HA ALA 85 HA ALA 85 -7.133 -5.678 8.654 687 HB1 ALA 85 3HB ALA 85 -6.982 -3.322 9.273 688 HB2 ALA 85 1HB ALA 85 -7.345 -2.859 7.611 689 HB3 ALA 85 2HB ALA 85 -5.855 -3.727 7.980 690 H ILE 86 H ILE 86 -9.565 -4.106 6.624 691 HA ILE 86 HA ILE 86 -11.513 -3.734 8.622 692 HB ILE 86 HB ILE 86 -11.911 -4.279 5.672 693 HG12 ILE 86 1HG1 ILE 86 -11.848 -1.664 7.200 694 HG13 ILE 86 2HG1 ILE 86 -10.548 -2.274 6.183 695 HG21 ILE 86 1HG2 ILE 86 -13.944 -4.723 6.953 696 HG22 ILE 86 2HG2 ILE 86 -14.122 -3.278 5.958 697 HG23 ILE 86 3HG2 ILE 86 -13.832 -3.124 7.691 698 HD11 ILE 86 3HD1 ILE 86 -13.314 -1.539 5.255 699 HD12 ILE 86 1HD1 ILE 86 -12.008 -2.142 4.234 700 HD13 ILE 86 2HD1 ILE 86 -11.851 -0.578 5.036 701 H VAL 87 H VAL 87 -10.819 -6.465 6.477 702 HA VAL 87 HA VAL 87 -12.933 -8.129 7.356 703 HB VAL 87 HB VAL 87 -10.263 -8.982 6.220 704 HG11 VAL 87 1HG1 VAL 87 -12.924 -10.403 6.275 705 HG12 VAL 87 2HG1 VAL 87 -11.504 -10.821 7.236 706 HG13 VAL 87 3HG1 VAL 87 -11.459 -10.982 5.481 707 HG21 VAL 87 3HG2 VAL 87 -11.378 -8.982 4.046 708 HG22 VAL 87 1HG2 VAL 87 -11.359 -7.369 4.762 709 HG23 VAL 87 2HG2 VAL 87 -12.837 -8.331 4.794 710 H THR 88 H THR 88 -9.633 -7.652 8.484 711 HA THR 88 HA THR 88 -9.808 -9.832 10.373 712 HB THR 88 HB THR 88 -7.528 -8.951 11.107 713 HG1 THR 88 HG1 THR 88 -7.596 -7.489 8.683 714 HG21 THR 88 3HG2 THR 88 -7.934 -9.758 8.225 715 HG22 THR 88 1HG2 THR 88 -7.752 -10.847 9.603 716 HG23 THR 88 2HG2 THR 88 -6.402 -9.829 9.097 717 H GLY 89 H GLY 89 -11.076 -6.810 10.366 718 HA2 GLY 89 1HA GLY 89 -12.131 -5.634 12.046 719 HA3 GLY 89 2HA GLY 89 -11.634 -6.890 13.167 720 H ARG 90 H ARG 90 -9.149 -5.472 11.305 721 HA ARG 90 HA ARG 90 -8.074 -4.202 13.705 722 HB2 ARG 90 1HB ARG 90 -6.835 -4.825 11.017 723 HB3 ARG 90 2HB ARG 90 -5.991 -4.004 12.324 724 HG2 ARG 90 1HG ARG 90 -6.237 -5.960 13.742 725 HG3 ARG 90 2HG ARG 90 -7.142 -6.783 12.472 726 HD2 ARG 90 1HD ARG 90 -5.209 -6.755 11.022 727 HD3 ARG 90 2HD ARG 90 -4.301 -5.810 12.202 728 HE ARG 90 HE ARG 90 -4.787 -7.909 13.675 729 HH11 ARG 90 1HH1 ARG 90 -3.987 -7.867 10.260 730 HH12 ARG 90 2HH1 ARG 90 -3.207 -9.422 10.295 731 HH21 ARG 90 1HH2 ARG 90 -3.749 -9.960 13.706 732 HH22 ARG 90 2HH2 ARG 90 -3.086 -10.600 12.228 733 H ALA 91 H ALA 91 -9.830 -3.359 10.981 734 HA ALA 91 HA ALA 91 -9.368 -0.535 11.537 735 HB1 ALA 91 3HB ALA 91 -9.240 -1.642 8.732 736 HB2 ALA 91 1HB ALA 91 -7.860 -1.059 9.663 737 HB3 ALA 91 2HB ALA 91 -9.140 0.057 9.192 738 H LYS 92 H LYS 92 -11.074 0.838 10.640 739 HA LYS 92 HA LYS 92 -13.584 -0.673 10.274 740 HB2 LYS 92 1HB LYS 92 -13.179 2.042 11.545 741 HB3 LYS 92 2HB LYS 92 -14.738 1.275 11.275 742 HG2 LYS 92 1HG LYS 92 -14.035 -0.578 12.751 743 HG3 LYS 92 2HG LYS 92 -12.539 0.300 13.078 744 HD2 LYS 92 1HD LYS 92 -13.834 2.166 13.980 745 HD3 LYS 92 2HD LYS 92 -15.329 1.286 13.657 746 HE2 LYS 92 1HE LYS 92 -14.576 -0.497 15.177 747 HE3 LYS 92 2HE LYS 92 -13.122 0.436 15.527 748 HZ1 LYS 92 3HZ LYS 92 -15.919 1.246 16.116 749 HZ2 LYS 92 1HZ LYS 92 -14.555 2.222 16.369 750 HZ3 LYS 92 2HZ LYS 92 -14.743 0.785 17.247 751 H TYR 93 H TYR 93 -11.727 2.168 9.349 752 HA TYR 93 HA TYR 93 -13.238 2.237 6.838 753 HB2 TYR 93 1HB TYR 93 -14.152 4.050 8.154 754 HB3 TYR 93 2HB TYR 93 -12.538 4.622 8.567 755 HD1 TYR 93 HD2 TYR 93 -14.741 4.037 5.609 756 HD2 TYR 93 HD1 TYR 93 -11.568 6.307 7.306 757 HE1 TYR 93 HE2 TYR 93 -14.758 5.518 3.645 758 HE2 TYR 93 HE1 TYR 93 -11.570 7.791 5.348 759 HH TYR 93 HH TYR 93 -12.261 7.867 3.091 760 H ASN 94 H ASN 94 -12.035 2.587 5.047 761 HA ASN 94 HA ASN 94 -9.152 2.947 5.459 762 HB2 ASN 94 1HB ASN 94 -8.862 1.836 3.262 763 HB3 ASN 94 2HB ASN 94 -9.652 0.802 4.442 764 HD21 ASN 94 2HD2 ASN 94 -9.634 0.741 1.508 765 HD22 ASN 94 1HD2 ASN 94 -11.292 0.787 1.022 766 HA PRO 95 HA PRO 95 -9.736 6.866 3.443 767 HB2 PRO 95 1HB PRO 95 -7.138 7.606 3.354 768 HB3 PRO 95 2HB PRO 95 -8.082 7.621 4.848 769 HG2 PRO 95 1HG PRO 95 -6.107 5.603 3.870 770 HG3 PRO 95 2HG PRO 95 -6.341 6.245 5.507 771 HD2 PRO 95 1HD PRO 95 -7.296 3.821 4.678 772 HD3 PRO 95 2HD PRO 95 -8.042 4.785 5.967 773 H ALA 96 H ALA 96 -9.737 4.532 1.758 774 HA ALA 96 HA ALA 96 -7.855 4.795 -0.347 775 HB1 ALA 96 3HB ALA 96 -9.287 3.257 -1.581 776 HB2 ALA 96 1HB ALA 96 -10.562 3.466 -0.378 777 HB3 ALA 96 2HB ALA 96 -9.037 2.705 0.076 778 HA PRO 97 HA PRO 97 -11.363 7.377 -2.564 779 HB2 PRO 97 1HB PRO 97 -12.844 8.426 -0.233 780 HB3 PRO 97 2HB PRO 97 -13.457 7.831 -1.778 781 HG2 PRO 97 1HG PRO 97 -13.756 6.416 0.472 782 HG3 PRO 97 2HG PRO 97 -13.448 5.626 -1.086 783 HD2 PRO 97 1HD PRO 97 -11.556 6.176 1.169 784 HD3 PRO 97 2HD PRO 97 -11.701 4.730 0.147 785 H ASP 98 H ASP 98 -10.288 8.192 0.687 786 HA ASP 98 HA ASP 98 -9.902 10.948 0.361 787 HB2 ASP 98 1HB ASP 98 -8.352 9.018 2.109 788 HB3 ASP 98 2HB ASP 98 -8.362 10.770 2.281 789 H LEU 99 H LEU 99 -7.779 8.195 -0.225 790 HA LEU 99 HA LEU 99 -5.466 9.536 -1.007 791 HB2 LEU 99 1HB LEU 99 -5.648 7.098 -0.603 792 HB3 LEU 99 2HB LEU 99 -6.592 6.932 -2.067 793 HG LEU 99 HG LEU 99 -4.111 6.259 -2.126 794 HD11 LEU 99 1HD1 LEU 99 -5.462 6.420 -4.133 795 HD12 LEU 99 2HD1 LEU 99 -3.843 7.056 -4.427 796 HD13 LEU 99 3HD1 LEU 99 -5.197 8.161 -4.195 797 HD21 LEU 99 3HD2 LEU 99 -3.820 9.249 -2.323 798 HD22 LEU 99 1HD2 LEU 99 -2.551 8.063 -2.626 799 HD23 LEU 99 2HD2 LEU 99 -3.232 8.232 -1.008 800 H ALA 100 H ALA 100 -8.298 8.560 -2.886 801 HA ALA 100 HA ALA 100 -7.348 9.405 -5.398 802 HB1 ALA 100 3HB ALA 100 -10.198 9.156 -4.440 803 HB2 ALA 100 1HB ALA 100 -9.228 7.867 -5.154 804 HB3 ALA 100 2HB ALA 100 -9.678 9.271 -6.122 805 H ASP 101 H ASP 101 -9.402 11.020 -2.986 806 HA ASP 101 HA ASP 101 -9.780 13.374 -4.503 807 HB2 ASP 101 1HB ASP 101 -11.220 12.664 -2.586 808 HB3 ASP 101 2HB ASP 101 -9.912 13.114 -1.495 809 H ALA 102 H ALA 102 -7.387 12.470 -2.076 810 HA ALA 102 HA ALA 102 -6.114 14.972 -1.845 811 HB1 ALA 102 3HB ALA 102 -5.741 13.110 -0.283 812 HB2 ALA 102 1HB ALA 102 -4.227 13.755 -0.921 813 HB3 ALA 102 2HB ALA 102 -4.875 12.237 -1.547 814 H MET 103 H MET 103 -5.523 12.227 -3.996 815 HA MET 103 HA MET 103 -3.351 13.202 -5.430 816 HB2 MET 103 1HB MET 103 -4.327 10.902 -5.605 817 HB3 MET 103 2HB MET 103 -5.655 11.582 -6.536 818 HG2 MET 103 1HG MET 103 -3.927 12.395 -8.180 819 HG3 MET 103 2HG MET 103 -2.755 11.418 -7.299 820 HE1 MET 103 3HE MET 103 -4.450 8.895 -6.447 821 HE2 MET 103 1HE MET 103 -2.826 8.792 -7.133 822 HE3 MET 103 2HE MET 103 -4.129 7.803 -7.797 823 H LYS 104 H LYS 104 -6.810 13.701 -5.931 824 HA LYS 104 HA LYS 104 -6.606 15.298 -8.257 825 HB2 LYS 104 1HB LYS 104 -8.783 15.365 -6.158 826 HB3 LYS 104 2HB LYS 104 -8.912 15.928 -7.817 827 HG2 LYS 104 1HG LYS 104 -8.728 13.685 -8.651 828 HG3 LYS 104 2HG LYS 104 -8.410 13.070 -7.026 829 HD2 LYS 104 1HD LYS 104 -10.655 13.974 -6.353 830 HD3 LYS 104 2HD LYS 104 -10.956 14.304 -8.060 831 HE2 LYS 104 1HE LYS 104 -10.677 11.935 -8.575 832 HE3 LYS 104 2HE LYS 104 -10.339 11.598 -6.877 833 HZ1 LYS 104 3HZ LYS 104 -12.892 12.594 -8.023 834 HZ2 LYS 104 1HZ LYS 104 -12.582 12.472 -6.359 835 HZ3 LYS 104 2HZ LYS 104 -12.611 11.074 -7.320 836 H GLY 105 H GLY 105 -6.788 16.074 -4.823 837 HA2 GLY 105 1HA GLY 105 -6.877 18.885 -5.096 838 HA3 GLY 105 2HA GLY 105 -6.397 18.007 -3.653 839 H TYR 106 H TYR 106 -4.204 16.615 -5.003 840 HA TYR 106 HA TYR 106 -2.200 18.655 -4.754 841 HB2 TYR 106 1HB TYR 106 -1.999 16.156 -4.138 842 HB3 TYR 106 2HB TYR 106 -1.737 15.886 -5.857 843 HD1 TYR 106 HD1 TYR 106 0.274 16.859 -6.964 844 HD2 TYR 106 HD2 TYR 106 -0.291 17.051 -2.751 845 HE1 TYR 106 HE1 TYR 106 2.658 17.382 -6.672 846 HE2 TYR 106 HE2 TYR 106 2.094 17.576 -2.451 847 HH TYR 106 HH TYR 106 4.116 18.460 -5.036 848 H ARG 107 H ARG 107 -3.764 16.917 -7.363 849 HA ARG 107 HA ARG 107 -2.182 17.792 -9.514 850 HB2 ARG 107 1HB ARG 107 -3.743 16.003 -9.842 851 HB3 ARG 107 2HB ARG 107 -5.093 17.009 -9.338 852 HG2 ARG 107 1HG ARG 107 -4.753 18.413 -11.343 853 HG3 ARG 107 2HG ARG 107 -3.474 17.312 -11.860 854 HD2 ARG 107 1HD ARG 107 -5.596 16.818 -12.972 855 HD3 ARG 107 2HD ARG 107 -5.063 15.477 -11.959 856 HE ARG 107 HE ARG 107 -6.809 17.154 -10.501 857 HH11 ARG 107 1HH1 ARG 107 -6.854 14.875 -13.143 858 HH12 ARG 107 2HH1 ARG 107 -8.447 14.276 -12.785 859 HH21 ARG 107 1HH2 ARG 107 -8.932 16.447 -10.048 860 HH22 ARG 107 2HH2 ARG 107 -9.643 15.195 -11.025 861 H LYS 108 H LYS 108 -5.115 19.160 -8.074 862 HA LYS 108 HA LYS 108 -4.425 21.733 -9.281 863 HB2 LYS 108 1HB LYS 108 -6.245 20.849 -10.618 864 HB3 LYS 108 2HB LYS 108 -7.183 20.498 -9.173 865 HG2 LYS 108 1HG LYS 108 -7.408 22.853 -8.697 866 HG3 LYS 108 2HG LYS 108 -6.361 23.257 -10.059 867 HD2 LYS 108 1HD LYS 108 -7.963 22.463 -11.628 868 HD3 LYS 108 2HD LYS 108 -8.946 21.742 -10.351 869 HE2 LYS 108 1HE LYS 108 -9.863 23.873 -11.230 870 HE3 LYS 108 2HE LYS 108 -9.531 23.904 -9.499 871 HZ1 LYS 108 3HZ LYS 108 -8.818 25.910 -10.813 872 HZ2 LYS 108 1HZ LYS 108 -7.611 24.938 -11.505 873 HZ3 LYS 108 2HZ LYS 108 -7.623 25.213 -9.828 874 H LYS 109 H LYS 109 -3.512 22.264 -7.344 875 HA LYS 109 HA LYS 109 -4.886 22.140 -4.861 876 HB2 LYS 109 1HB LYS 109 -3.031 23.651 -4.079 877 HB3 LYS 109 2HB LYS 109 -2.504 22.139 -4.806 878 HG2 LYS 109 1HG LYS 109 -2.133 23.374 -6.937 879 HG3 LYS 109 2HG LYS 109 -2.486 24.870 -6.069 880 HD2 LYS 109 1HD LYS 109 -0.616 24.493 -4.585 881 HD3 LYS 109 2HD LYS 109 -0.301 22.925 -5.331 882 HE2 LYS 109 1HE LYS 109 -0.106 25.620 -6.673 883 HE3 LYS 109 2HE LYS 109 1.247 24.609 -6.167 884 HZ1 LYS 109 3HZ LYS 109 0.487 22.905 -7.734 885 HZ2 LYS 109 1HZ LYS 109 0.840 24.367 -8.522 886 HZ3 LYS 109 2HZ LYS 109 -0.769 23.921 -8.240 887 H ASN 110 H ASN 110 -6.287 23.481 -3.985 888 HA ASN 110 HA ASN 110 -6.673 26.128 -5.213 889 HB2 ASN 110 1HB ASN 110 -8.649 24.743 -5.468 890 HB3 ASN 110 2HB ASN 110 -8.641 24.347 -3.754 891 HD21 ASN 110 2HD2 ASN 110 -10.766 25.097 -3.595 892 HD22 ASN 110 1HD2 ASN 110 -11.117 26.792 -3.526 893 H LEU 111 H LEU 111 -5.588 27.548 -4.034 894 HA LEU 111 HA LEU 111 -4.858 27.083 -1.330 895 HB2 LEU 111 1HB LEU 111 -3.461 28.332 -2.936 896 HB3 LEU 111 2HB LEU 111 -4.657 29.611 -2.967 897 HG LEU 111 HG LEU 111 -4.241 30.057 -0.580 898 HD11 LEU 111 1HD1 LEU 111 -2.333 29.011 0.537 899 HD12 LEU 111 2HD1 LEU 111 -2.086 27.964 -0.862 900 HD13 LEU 111 3HD1 LEU 111 -3.556 27.817 0.100 901 HD21 LEU 111 3HD2 LEU 111 -3.006 31.311 -2.260 902 HD22 LEU 111 1HD2 LEU 111 -1.765 30.057 -2.304 903 HD23 LEU 111 2HD2 LEU 111 -2.000 31.014 -0.842 904 H GLU 112 H GLU 112 -5.913 27.528 0.447 905 HA GLU 112 HA GLU 112 -8.470 28.605 0.610 906 HB2 GLU 112 1HB GLU 112 -7.629 27.187 2.342 907 HB3 GLU 112 2HB GLU 112 -6.279 28.261 2.660 908 HG2 GLU 112 1HG GLU 112 -9.052 29.261 3.076 909 HG3 GLU 112 2HG GLU 112 -8.342 28.163 4.258 910 H HIS 113 H HIS 113 -5.329 30.155 1.126 911 HA HIS 113 HA HIS 113 -6.546 32.745 1.530 912 HB2 HIS 113 1HB HIS 113 -3.854 31.604 1.783 913 HB3 HIS 113 2HB HIS 113 -3.870 33.239 1.135 914 HD1 HIS 113 HD1 HIS 113 -5.172 31.331 4.174 915 HD2 HIS 113 HD2 HIS 113 -4.105 35.188 3.012 916 HE1 HIS 113 HE1 HIS 113 -5.225 32.719 6.270 917 HE2 HIS 113 HE2 HIS 113 -4.718 35.072 5.522 918 H HIS 114 H HIS 114 -7.695 32.815 -0.500 919 HA HIS 114 HA HIS 114 -6.336 32.903 -2.993 920 HB2 HIS 114 1HB HIS 114 -9.027 34.017 -2.170 921 HB3 HIS 114 2HB HIS 114 -8.440 33.972 -3.829 922 HD1 HIS 114 HD1 HIS 114 -10.388 32.079 -1.476 923 HD2 HIS 114 HD2 HIS 114 -7.899 31.165 -4.681 924 HE1 HIS 114 HE1 HIS 114 -10.966 29.720 -2.133 925 HE2 HIS 114 HE2 HIS 114 -9.299 29.121 -3.929 926 H HIS 115 H HIS 115 -5.345 34.567 -4.023 927 HA HIS 115 HA HIS 115 -4.609 36.790 -2.348 928 HB2 HIS 115 1HB HIS 115 -3.776 35.988 -5.132 929 HB3 HIS 115 2HB HIS 115 -3.170 37.428 -4.324 930 HD1 HIS 115 HD1 HIS 115 -2.397 33.962 -4.833 931 HD2 HIS 115 HD2 HIS 115 -1.823 36.708 -1.762 932 HE1 HIS 115 HE1 HIS 115 -0.580 32.991 -3.381 933 HE2 HIS 115 HE2 HIS 115 -0.105 34.774 -1.660 934 H HIS 116 H HIS 116 -6.887 36.243 -4.863 935 HA HIS 116 HA HIS 116 -8.475 37.569 -5.819 936 HB2 HIS 116 1HB HIS 116 -7.486 39.795 -4.018 937 HB3 HIS 116 2HB HIS 116 -8.990 39.783 -4.927 938 HD1 HIS 116 HD1 HIS 116 -7.731 39.203 -1.636 939 HD2 HIS 116 HD2 HIS 116 -10.722 37.497 -3.983 940 HE1 HIS 116 HE1 HIS 116 -9.265 38.015 -0.033 941 HE2 HIS 116 HE2 HIS 116 -11.046 36.962 -1.468 942 H HIS 117 H HIS 117 -5.985 39.999 -5.150 943 HA HIS 117 HA HIS 117 -5.420 40.146 -8.039 944 HB2 HIS 117 1HB HIS 117 -5.835 42.391 -6.064 945 HB3 HIS 117 2HB HIS 117 -4.931 42.632 -7.556 946 HD1 HIS 117 HD1 HIS 117 -7.924 43.697 -6.535 947 HD2 HIS 117 HD2 HIS 117 -6.926 41.085 -9.618 948 HE1 HIS 117 HE1 HIS 117 -9.857 43.767 -8.143 949 HE2 HIS 117 HE2 HIS 117 -9.126 42.345 -10.096 950 H HIS 118 H HIS 118 -3.321 42.036 -7.793 951 HA HIS 118 HA HIS 118 -1.418 40.562 -6.094 952 HB2 HIS 118 1HB HIS 118 -1.011 41.683 -8.867 953 HB3 HIS 118 2HB HIS 118 0.332 41.250 -7.815 954 HD1 HIS 118 HD1 HIS 118 0.773 38.741 -7.411 955 HD2 HIS 118 HD2 HIS 118 -2.426 39.514 -9.958 956 HE1 HIS 118 HE1 HIS 118 0.212 36.535 -8.484 957 HE2 HIS 118 HE2 HIS 118 -1.822 36.990 -9.896 Start of MODEL 16 1 H1 SER 1 1H SER 1 -5.756 -11.235 16.766 2 H2 SER 1 2H SER 1 -4.929 -12.166 15.617 3 H3 SER 1 3H SER 1 -6.511 -11.642 15.303 4 HA SER 1 HA SER 1 -4.867 -10.355 14.088 5 HB2 SER 1 1HB SER 1 -6.383 -8.878 16.256 6 HB3 SER 1 2HB SER 1 -5.675 -8.113 14.834 7 HG SER 1 HG SER 1 -7.800 -9.992 14.962 8 H SER 2 H SER 2 -3.166 -8.789 14.156 9 HA SER 2 HA SER 2 -1.219 -9.293 16.166 10 HB2 SER 2 1HB SER 2 0.016 -7.438 14.904 11 HB3 SER 2 2HB SER 2 -0.404 -8.878 13.975 12 HG SER 2 HG SER 2 -1.268 -6.288 13.696 13 H ASN 3 H ASN 3 -0.485 -7.957 17.794 14 HA ASN 3 HA ASN 3 -2.316 -5.888 18.696 15 HB2 ASN 3 1HB ASN 3 0.203 -7.054 19.901 16 HB3 ASN 3 2HB ASN 3 -0.713 -5.750 20.650 17 HD21 ASN 3 2HD2 ASN 3 -0.144 -8.487 21.563 18 HD22 ASN 3 1HD2 ASN 3 -1.693 -9.206 21.870 19 H ASN 4 H ASN 4 0.223 -6.111 16.644 20 HA ASN 4 HA ASN 4 0.856 -3.248 16.894 21 HB2 ASN 4 1HB ASN 4 2.793 -4.867 17.041 22 HB3 ASN 4 2HB ASN 4 2.426 -5.367 15.395 23 HD21 ASN 4 2HD2 ASN 4 4.850 -4.200 16.426 24 HD22 ASN 4 1HD2 ASN 4 5.104 -2.726 15.540 25 H ASN 5 H ASN 5 -0.495 -2.167 15.582 26 HA ASN 5 HA ASN 5 -1.478 -3.507 13.172 27 HB2 ASN 5 1HB ASN 5 -2.483 -1.121 14.724 28 HB3 ASN 5 2HB ASN 5 -3.166 -1.616 13.177 29 HD21 ASN 5 2HD2 ASN 5 -4.348 -1.503 15.868 30 HD22 ASN 5 1HD2 ASN 5 -4.939 -3.101 16.181 31 H SER 6 H SER 6 1.197 -2.207 13.378 32 HA SER 6 HA SER 6 1.150 0.112 11.738 33 HB2 SER 6 1HB SER 6 3.394 -1.884 12.144 34 HB3 SER 6 2HB SER 6 3.559 -0.264 11.465 35 HG SER 6 HG SER 6 3.046 -1.059 14.111 36 H PHE 7 H PHE 7 1.736 0.294 9.538 37 HA PHE 7 HA PHE 7 0.315 -1.376 7.840 38 HB2 PHE 7 1HB PHE 7 0.991 0.967 7.335 39 HB3 PHE 7 2HB PHE 7 2.636 0.402 7.069 40 HD1 PHE 7 HD2 PHE 7 -0.824 0.241 5.817 41 HD2 PHE 7 HD1 PHE 7 3.267 -0.629 5.027 42 HE1 PHE 7 HE2 PHE 7 -1.381 -0.225 3.465 43 HE2 PHE 7 HE1 PHE 7 2.719 -1.099 2.675 44 HZ PHE 7 HZ PHE 7 0.391 -0.897 1.892 45 H SER 8 H SER 8 3.798 -1.345 8.543 46 HA SER 8 HA SER 8 4.576 -3.212 6.606 47 HB2 SER 8 1HB SER 8 6.580 -3.530 8.114 48 HB3 SER 8 2HB SER 8 6.239 -1.860 7.661 49 HG SER 8 HG SER 8 6.615 -2.626 10.039 50 H ALA 9 H ALA 9 3.463 -3.668 9.921 51 HA ALA 9 HA ALA 9 4.066 -6.399 10.165 52 HB1 ALA 9 3HB ALA 9 3.513 -4.971 12.071 53 HB2 ALA 9 1HB ALA 9 2.482 -6.400 12.020 54 HB3 ALA 9 2HB ALA 9 1.853 -4.837 11.495 55 H ILE 10 H ILE 10 1.066 -4.768 9.214 56 HA ILE 10 HA ILE 10 -0.365 -7.165 8.656 57 HB ILE 10 HB ILE 10 -0.891 -4.353 7.670 58 HG12 ILE 10 1HG1 ILE 10 -2.020 -5.811 10.068 59 HG13 ILE 10 2HG1 ILE 10 -0.758 -4.586 10.148 60 HG21 ILE 10 1HG2 ILE 10 -2.738 -6.730 7.873 61 HG22 ILE 10 2HG2 ILE 10 -2.076 -6.065 6.381 62 HG23 ILE 10 3HG2 ILE 10 -3.191 -5.105 7.353 63 HD11 ILE 10 3HD1 ILE 10 -2.313 -2.936 9.255 64 HD12 ILE 10 1HD1 ILE 10 -2.925 -3.672 10.736 65 HD13 ILE 10 2HD1 ILE 10 -3.571 -4.167 9.172 66 H TYR 11 H TYR 11 1.535 -4.908 6.740 67 HA TYR 11 HA TYR 11 1.071 -5.880 4.190 68 HB2 TYR 11 1HB TYR 11 2.321 -3.990 4.064 69 HB3 TYR 11 2HB TYR 11 3.204 -4.346 5.538 70 HD1 TYR 11 HD1 TYR 11 2.982 -5.448 1.965 71 HD2 TYR 11 HD2 TYR 11 5.428 -4.905 5.404 72 HE1 TYR 11 HE1 TYR 11 4.971 -6.030 0.638 73 HE2 TYR 11 HE2 TYR 11 7.419 -5.492 4.091 74 HH TYR 11 HH TYR 11 8.121 -6.451 2.144 75 H LYS 12 H LYS 12 3.446 -7.034 6.603 76 HA LYS 12 HA LYS 12 4.541 -8.993 4.878 77 HB2 LYS 12 1HB LYS 12 5.791 -8.285 6.829 78 HB3 LYS 12 2HB LYS 12 4.529 -8.890 7.898 79 HG2 LYS 12 1HG LYS 12 5.000 -11.141 7.330 80 HG3 LYS 12 2HG LYS 12 6.047 -10.657 5.997 81 HD2 LYS 12 1HD LYS 12 7.616 -9.676 7.614 82 HD3 LYS 12 2HD LYS 12 6.570 -10.204 8.933 83 HE2 LYS 12 1HE LYS 12 7.805 -12.067 6.906 84 HE3 LYS 12 2HE LYS 12 8.513 -11.716 8.485 85 HZ1 LYS 12 3HZ LYS 12 7.221 -13.766 8.521 86 HZ2 LYS 12 1HZ LYS 12 5.832 -12.926 8.029 87 HZ3 LYS 12 2HZ LYS 12 6.527 -12.604 9.539 88 H GLU 13 H GLU 13 1.900 -9.111 7.241 89 HA GLU 13 HA GLU 13 1.449 -11.892 7.095 90 HB2 GLU 13 1HB GLU 13 0.483 -10.427 8.848 91 HB3 GLU 13 2HB GLU 13 -0.573 -9.706 7.639 92 HG2 GLU 13 1HG GLU 13 -1.637 -11.868 7.268 93 HG3 GLU 13 2HG GLU 13 -0.568 -12.603 8.460 94 H TRP 14 H TRP 14 -0.032 -9.182 5.352 95 HA TRP 14 HA TRP 14 -1.674 -10.687 3.640 96 HB2 TRP 14 1HB TRP 14 -2.101 -8.358 3.826 97 HB3 TRP 14 2HB TRP 14 -0.438 -7.940 3.437 98 HD1 TRP 14 HD1 TRP 14 -3.721 -9.026 1.759 99 HE1 TRP 14 HE1 TRP 14 -3.574 -8.454 -0.754 100 HE3 TRP 14 HE3 TRP 14 1.174 -7.568 1.544 101 HZ2 TRP 14 HZ2 TRP 14 -1.633 -7.517 -2.571 102 HZ3 TRP 14 HZ3 TRP 14 2.098 -6.842 -0.615 103 HH2 TRP 14 HH2 TRP 14 0.722 -6.818 -2.630 104 H TYR 15 H TYR 15 1.619 -9.407 3.173 105 HA TYR 15 HA TYR 15 2.013 -10.285 0.559 106 HB2 TYR 15 1HB TYR 15 3.587 -8.749 1.396 107 HB3 TYR 15 2HB TYR 15 3.924 -9.735 2.817 108 HD1 TYR 15 HD1 TYR 15 4.059 -10.130 -0.906 109 HD2 TYR 15 HD2 TYR 15 5.971 -10.781 2.838 110 HE1 TYR 15 HE1 TYR 15 5.964 -11.164 -2.064 111 HE2 TYR 15 HE2 TYR 15 7.885 -11.814 1.694 112 HH TYR 15 HH TYR 15 8.372 -11.555 -1.641 113 H GLU 16 H GLU 16 2.919 -11.915 3.599 114 HA GLU 16 HA GLU 16 4.154 -14.111 2.363 115 HB2 GLU 16 1HB GLU 16 4.436 -13.455 4.738 116 HB3 GLU 16 2HB GLU 16 2.808 -14.028 5.066 117 HG2 GLU 16 1HG GLU 16 3.436 -16.282 4.545 118 HG3 GLU 16 2HG GLU 16 5.034 -15.756 4.014 119 H HIS 17 H HIS 17 0.813 -13.477 3.177 120 HA HIS 17 HA HIS 17 -0.086 -16.151 2.620 121 HB2 HIS 17 1HB HIS 17 -1.239 -14.494 4.154 122 HB3 HIS 17 2HB HIS 17 -1.745 -13.624 2.712 123 HD1 HIS 17 HD1 HIS 17 -2.298 -16.533 1.216 124 HD2 HIS 17 HD2 HIS 17 -3.940 -15.037 4.731 125 HE1 HIS 17 HE1 HIS 17 -4.467 -17.756 1.519 126 HE2 HIS 17 HE2 HIS 17 -5.347 -16.975 3.742 127 H LYS 18 H LYS 18 -0.007 -13.060 0.889 128 HA LYS 18 HA LYS 18 -1.447 -14.066 -1.379 129 HB2 LYS 18 1HB LYS 18 -1.149 -11.612 -0.480 130 HB3 LYS 18 2HB LYS 18 0.283 -11.629 -1.498 131 HG2 LYS 18 1HG LYS 18 -1.512 -10.667 -2.733 132 HG3 LYS 18 2HG LYS 18 -1.153 -12.252 -3.420 133 HD2 LYS 18 1HD LYS 18 -3.040 -13.220 -2.246 134 HD3 LYS 18 2HD LYS 18 -3.371 -11.677 -1.455 135 HE2 LYS 18 1HE LYS 18 -3.775 -10.665 -3.664 136 HE3 LYS 18 2HE LYS 18 -3.510 -12.238 -4.414 137 HZ1 LYS 18 3HZ LYS 18 -5.414 -13.110 -3.260 138 HZ2 LYS 18 1HZ LYS 18 -5.870 -11.708 -4.101 139 HZ3 LYS 18 2HZ LYS 18 -5.636 -11.652 -2.422 140 H LYS 19 H LYS 19 1.814 -14.072 -0.349 141 HA LYS 19 HA LYS 19 3.178 -14.337 -2.788 142 HB2 LYS 19 1HB LYS 19 4.368 -13.899 -0.735 143 HB3 LYS 19 2HB LYS 19 3.789 -15.396 -0.023 144 HG2 LYS 19 1HG LYS 19 5.092 -16.668 -1.658 145 HG3 LYS 19 2HG LYS 19 5.689 -15.156 -2.344 146 HD2 LYS 19 1HD LYS 19 6.908 -14.633 -0.410 147 HD3 LYS 19 2HD LYS 19 6.032 -15.815 0.565 148 HE2 LYS 19 1HE LYS 19 7.965 -16.427 -1.671 149 HE3 LYS 19 2HE LYS 19 8.281 -16.606 0.055 150 HZ1 LYS 19 3HZ LYS 19 6.293 -18.163 0.047 151 HZ2 LYS 19 1HZ LYS 19 7.717 -18.735 -0.682 152 HZ3 LYS 19 2HZ LYS 19 6.435 -18.179 -1.644 153 H GLN 20 H GLN 20 1.077 -16.472 -1.127 154 HA GLN 20 HA GLN 20 2.008 -18.920 -2.285 155 HB2 GLN 20 1HB GLN 20 -0.726 -18.246 -1.179 156 HB3 GLN 20 2HB GLN 20 -0.090 -19.858 -1.470 157 HG2 GLN 20 1HG GLN 20 1.484 -19.649 0.291 158 HG3 GLN 20 2HG GLN 20 1.155 -17.924 0.463 159 HE21 GLN 20 2HE2 GLN 20 0.956 -20.098 2.435 160 HE22 GLN 20 1HE2 GLN 20 -0.681 -20.059 3.006 161 H VAL 21 H VAL 21 0.306 -16.245 -3.465 162 HA VAL 21 HA VAL 21 -1.194 -17.778 -5.451 163 HB VAL 21 HB VAL 21 -1.247 -14.801 -4.935 164 HG11 VAL 21 1HG1 VAL 21 -3.108 -16.583 -6.498 165 HG12 VAL 21 2HG1 VAL 21 -1.991 -15.394 -7.168 166 HG13 VAL 21 3HG1 VAL 21 -3.357 -14.866 -6.185 167 HG21 VAL 21 3HG2 VAL 21 -1.992 -16.004 -2.962 168 HG22 VAL 21 1HG2 VAL 21 -3.104 -16.960 -3.940 169 HG23 VAL 21 2HG2 VAL 21 -3.362 -15.225 -3.755 170 H TRP 22 H TRP 22 1.274 -15.267 -5.217 171 HA TRP 22 HA TRP 22 1.555 -15.178 -8.111 172 HB2 TRP 22 1HB TRP 22 3.067 -13.652 -5.982 173 HB3 TRP 22 2HB TRP 22 3.138 -13.356 -7.714 174 HD1 TRP 22 HD1 TRP 22 0.028 -13.369 -8.370 175 HE1 TRP 22 HE1 TRP 22 -1.451 -11.431 -7.540 176 HE3 TRP 22 HE3 TRP 22 2.999 -11.650 -4.578 177 HZ2 TRP 22 HZ2 TRP 22 -1.358 -9.431 -5.543 178 HZ3 TRP 22 HZ3 TRP 22 2.236 -9.718 -3.263 179 HH2 TRP 22 HH2 TRP 22 0.102 -8.631 -3.739 180 H SER 23 H SER 23 3.839 -15.156 -8.987 181 HA SER 23 HA SER 23 5.226 -17.541 -8.239 182 HB2 SER 23 1HB SER 23 6.251 -15.318 -10.019 183 HB3 SER 23 2HB SER 23 6.701 -17.024 -10.055 184 HG SER 23 HG SER 23 4.414 -17.415 -10.592 185 H VAL 24 H VAL 24 7.205 -17.716 -7.154 186 HA VAL 24 HA VAL 24 7.557 -16.057 -4.973 187 HB VAL 24 HB VAL 24 8.420 -18.347 -5.062 188 HG11 VAL 24 1HG1 VAL 24 9.300 -18.400 -7.310 189 HG12 VAL 24 2HG1 VAL 24 10.568 -18.823 -6.159 190 HG13 VAL 24 3HG1 VAL 24 10.534 -17.215 -6.883 191 HG21 VAL 24 3HG2 VAL 24 9.267 -16.852 -3.355 192 HG22 VAL 24 1HG2 VAL 24 10.527 -16.279 -4.448 193 HG23 VAL 24 2HG2 VAL 24 10.541 -17.950 -3.888 194 H GLY 25 H GLY 25 9.183 -15.889 -8.124 195 HA2 GLY 25 1HA GLY 25 11.070 -13.906 -7.384 196 HA3 GLY 25 2HA GLY 25 10.545 -14.266 -9.022 197 H TYR 26 H TYR 26 7.912 -13.660 -8.983 198 HA TYR 26 HA TYR 26 7.908 -10.851 -9.209 199 HB2 TYR 26 1HB TYR 26 6.408 -12.394 -10.481 200 HB3 TYR 26 2HB TYR 26 5.508 -12.686 -8.998 201 HD1 TYR 26 HD2 TYR 26 6.436 -10.083 -11.459 202 HD2 TYR 26 HD1 TYR 26 3.824 -11.172 -8.283 203 HE1 TYR 26 HE2 TYR 26 5.030 -8.132 -11.959 204 HE2 TYR 26 HE1 TYR 26 2.404 -9.222 -8.775 205 HH TYR 26 HH TYR 26 2.589 -7.492 -11.619 206 H ALA 27 H ALA 27 6.747 -13.063 -6.726 207 HA ALA 27 HA ALA 27 5.475 -11.171 -5.082 208 HB1 ALA 27 3HB ALA 27 6.823 -13.750 -4.278 209 HB2 ALA 27 1HB ALA 27 5.158 -13.586 -4.836 210 HB3 ALA 27 2HB ALA 27 5.656 -12.843 -3.316 211 H THR 28 H THR 28 8.825 -12.334 -5.185 212 HA THR 28 HA THR 28 9.758 -10.909 -2.944 213 HB THR 28 HB THR 28 11.320 -11.689 -5.420 214 HG1 THR 28 HG1 THR 28 10.439 -13.540 -4.514 215 HG21 THR 28 3HG2 THR 28 12.256 -11.108 -2.604 216 HG22 THR 28 1HG2 THR 28 12.485 -10.055 -4.000 217 HG23 THR 28 2HG2 THR 28 13.270 -11.633 -3.949 218 H GLU 29 H GLU 29 9.695 -10.057 -6.401 219 HA GLU 29 HA GLU 29 10.957 -7.553 -6.080 220 HB2 GLU 29 1HB GLU 29 9.104 -8.497 -8.272 221 HB3 GLU 29 2HB GLU 29 10.098 -7.048 -8.341 222 HG2 GLU 29 1HG GLU 29 12.077 -8.624 -7.933 223 HG3 GLU 29 2HG GLU 29 10.956 -9.915 -8.363 224 H LEU 30 H LEU 30 7.543 -8.492 -6.166 225 HA LEU 30 HA LEU 30 6.483 -5.886 -6.078 226 HB2 LEU 30 1HB LEU 30 5.225 -7.956 -6.668 227 HB3 LEU 30 2HB LEU 30 5.260 -8.423 -4.980 228 HG LEU 30 HG LEU 30 4.044 -5.792 -5.725 229 HD11 LEU 30 1HD1 LEU 30 3.065 -7.374 -7.300 230 HD12 LEU 30 2HD1 LEU 30 1.887 -6.887 -6.082 231 HD13 LEU 30 3HD1 LEU 30 2.667 -8.465 -5.972 232 HD21 LEU 30 3HD2 LEU 30 3.383 -7.859 -3.623 233 HD22 LEU 30 1HD2 LEU 30 2.615 -6.282 -3.809 234 HD23 LEU 30 2HD2 LEU 30 4.318 -6.386 -3.360 235 H ALA 31 H ALA 31 7.386 -8.154 -3.506 236 HA ALA 31 HA ALA 31 6.526 -6.543 -1.350 237 HB1 ALA 31 3HB ALA 31 6.997 -8.921 -1.090 238 HB2 ALA 31 1HB ALA 31 7.949 -7.959 0.042 239 HB3 ALA 31 2HB ALA 31 8.708 -8.624 -1.405 240 H LYS 32 H LYS 32 9.722 -6.945 -2.875 241 HA LYS 32 HA LYS 32 11.143 -5.134 -1.308 242 HB2 LYS 32 1HB LYS 32 12.236 -6.648 -2.878 243 HB3 LYS 32 2HB LYS 32 11.504 -5.806 -4.236 244 HG2 LYS 32 1HG LYS 32 12.781 -3.816 -3.737 245 HG3 LYS 32 2HG LYS 32 13.460 -4.582 -2.301 246 HD2 LYS 32 1HD LYS 32 14.562 -6.247 -3.681 247 HD3 LYS 32 2HD LYS 32 13.837 -5.552 -5.132 248 HE2 LYS 32 1HE LYS 32 15.063 -3.512 -4.838 249 HE3 LYS 32 2HE LYS 32 15.665 -4.048 -3.270 250 HZ1 LYS 32 3HZ LYS 32 16.878 -5.813 -4.374 251 HZ2 LYS 32 1HZ LYS 32 17.332 -4.301 -4.998 252 HZ3 LYS 32 2HZ LYS 32 16.297 -5.310 -5.885 253 H MET 33 H MET 33 9.065 -4.606 -4.083 254 HA MET 33 HA MET 33 9.596 -1.877 -4.508 255 HB2 MET 33 1HB MET 33 8.423 -3.232 -6.140 256 HB3 MET 33 2HB MET 33 7.107 -3.515 -5.011 257 HG2 MET 33 1HG MET 33 6.547 -1.144 -5.069 258 HG3 MET 33 2HG MET 33 7.872 -0.861 -6.198 259 HE1 MET 33 3HE MET 33 5.490 -3.991 -6.121 260 HE2 MET 33 1HE MET 33 4.198 -3.467 -7.204 261 HE3 MET 33 2HE MET 33 4.424 -2.667 -5.649 262 H PHE 34 H PHE 34 6.977 -3.453 -2.657 263 HA PHE 34 HA PHE 34 5.872 -1.071 -1.632 264 HB2 PHE 34 1HB PHE 34 5.679 -3.965 -0.935 265 HB3 PHE 34 2HB PHE 34 5.114 -2.792 0.249 266 HD1 PHE 34 HD2 PHE 34 4.811 -3.432 -3.424 267 HD2 PHE 34 HD1 PHE 34 2.914 -2.221 0.184 268 HE1 PHE 34 HE2 PHE 34 2.681 -3.186 -4.630 269 HE2 PHE 34 HE1 PHE 34 0.785 -1.967 -1.017 270 HZ PHE 34 HZ PHE 34 0.665 -2.450 -3.420 271 H ASP 35 H ASP 35 8.379 -3.218 -0.441 272 HA ASP 35 HA ASP 35 8.740 -2.057 2.087 273 HB2 ASP 35 1HB ASP 35 9.694 -4.223 1.521 274 HB3 ASP 35 2HB ASP 35 10.716 -3.487 0.292 275 H ASP 36 H ASP 36 10.559 -1.517 -0.927 276 HA ASP 36 HA ASP 36 12.385 0.275 0.278 277 HB2 ASP 36 1HB ASP 36 12.911 -1.109 -1.689 278 HB3 ASP 36 2HB ASP 36 11.792 -0.152 -2.653 279 H ASP 37 H ASP 37 9.373 0.813 -1.458 280 HA ASP 37 HA ASP 37 9.919 3.697 -1.474 281 HB2 ASP 37 1HB ASP 37 8.019 1.955 -2.996 282 HB3 ASP 37 2HB ASP 37 7.671 3.671 -2.818 283 H ILE 38 H ILE 38 7.387 1.424 -0.456 284 HA ILE 38 HA ILE 38 5.749 3.570 0.520 285 HB ILE 38 HB ILE 38 5.308 0.599 0.800 286 HG12 ILE 38 1HG1 ILE 38 4.608 2.535 -1.409 287 HG13 ILE 38 2HG1 ILE 38 5.581 1.077 -1.528 288 HG21 ILE 38 1HG2 ILE 38 3.918 1.920 2.290 289 HG22 ILE 38 2HG2 ILE 38 2.941 1.222 0.999 290 HG23 ILE 38 3HG2 ILE 38 3.395 2.925 0.940 291 HD11 ILE 38 3HD1 ILE 38 3.606 -0.280 -1.115 292 HD12 ILE 38 1HD1 ILE 38 3.391 0.768 -2.517 293 HD13 ILE 38 2HD1 ILE 38 2.627 1.181 -0.980 294 H LEU 39 H LEU 39 7.879 1.135 1.973 295 HA LEU 39 HA LEU 39 6.784 1.433 4.576 296 HB2 LEU 39 1HB LEU 39 9.424 0.310 3.683 297 HB3 LEU 39 2HB LEU 39 8.889 0.312 5.354 298 HG LEU 39 HG LEU 39 7.710 -1.195 3.031 299 HD11 LEU 39 1HD1 LEU 39 9.569 -2.252 4.179 300 HD12 LEU 39 2HD1 LEU 39 8.064 -3.119 4.491 301 HD13 LEU 39 3HD1 LEU 39 8.743 -2.059 5.725 302 HD21 LEU 39 3HD2 LEU 39 5.864 -0.172 4.273 303 HD22 LEU 39 1HD2 LEU 39 6.495 -0.855 5.773 304 HD23 LEU 39 2HD2 LEU 39 5.906 -1.920 4.497 305 HA PRO 40 HA PRO 40 10.460 4.583 5.329 306 HB2 PRO 40 1HB PRO 40 10.577 5.771 2.616 307 HB3 PRO 40 2HB PRO 40 11.883 5.442 3.762 308 HG2 PRO 40 1HG PRO 40 11.561 3.931 1.593 309 HG3 PRO 40 2HG PRO 40 12.043 3.214 3.143 310 HD2 PRO 40 1HD PRO 40 9.360 3.236 1.815 311 HD3 PRO 40 2HD PRO 40 10.174 1.922 2.690 312 H ILE 41 H ILE 41 7.593 4.778 3.447 313 HA ILE 41 HA ILE 41 7.165 7.591 4.123 314 HB ILE 41 HB ILE 41 5.454 5.762 2.425 315 HG12 ILE 41 1HG1 ILE 41 7.659 6.178 1.414 316 HG13 ILE 41 2HG1 ILE 41 6.376 6.966 0.504 317 HG21 ILE 41 1HG2 ILE 41 4.356 7.825 1.678 318 HG22 ILE 41 2HG2 ILE 41 5.341 8.752 2.813 319 HG23 ILE 41 3HG2 ILE 41 4.170 7.578 3.416 320 HD11 ILE 41 3HD1 ILE 41 8.228 8.311 2.459 321 HD12 ILE 41 1HD1 ILE 41 6.957 9.100 1.524 322 HD13 ILE 41 2HD1 ILE 41 8.341 8.383 0.700 323 H ILE 42 H ILE 42 5.368 4.486 4.389 324 HA ILE 42 HA ILE 42 4.047 5.587 6.792 325 HB ILE 42 HB ILE 42 1.943 4.483 6.118 326 HG12 ILE 42 1HG1 ILE 42 3.093 4.198 3.355 327 HG13 ILE 42 2HG1 ILE 42 3.243 2.897 4.534 328 HG21 ILE 42 1HG2 ILE 42 2.261 6.853 5.682 329 HG22 ILE 42 2HG2 ILE 42 1.287 6.103 4.415 330 HG23 ILE 42 3HG2 ILE 42 2.986 6.478 4.117 331 HD11 ILE 42 3HD1 ILE 42 1.337 2.594 3.042 332 HD12 ILE 42 1HD1 ILE 42 0.654 4.117 3.617 333 HD13 ILE 42 2HD1 ILE 42 0.848 2.760 4.730 334 H GLY 43 H GLY 43 6.186 3.408 6.089 335 HA2 GLY 43 1HA GLY 43 5.130 0.862 6.454 336 HA3 GLY 43 2HA GLY 43 6.775 1.325 6.852 337 H GLY 44 H GLY 44 6.452 3.020 8.956 338 HA2 GLY 44 1HA GLY 44 5.651 1.105 11.002 339 HA3 GLY 44 2HA GLY 44 6.625 2.546 11.248 340 H LEU 45 H LEU 45 3.713 2.950 9.410 341 HA LEU 45 HA LEU 45 2.559 4.348 11.723 342 HB2 LEU 45 1HB LEU 45 1.960 4.543 8.771 343 HB3 LEU 45 2HB LEU 45 1.076 5.409 10.012 344 HG LEU 45 HG LEU 45 4.032 5.736 9.493 345 HD11 LEU 45 1HD1 LEU 45 2.705 6.511 7.593 346 HD12 LEU 45 2HD1 LEU 45 3.444 7.857 8.459 347 HD13 LEU 45 3HD1 LEU 45 1.730 7.502 8.678 348 HD21 LEU 45 3HD2 LEU 45 3.355 6.251 11.785 349 HD22 LEU 45 1HD2 LEU 45 2.108 7.340 11.174 350 HD23 LEU 45 2HD2 LEU 45 3.812 7.710 10.907 351 H GLU 46 H GLU 46 0.583 3.845 12.541 352 HA GLU 46 HA GLU 46 -0.566 1.326 12.208 353 HB2 GLU 46 1HB GLU 46 -1.788 3.917 13.162 354 HB3 GLU 46 2HB GLU 46 -2.620 2.372 13.242 355 HG2 GLU 46 1HG GLU 46 -0.927 1.502 14.731 356 HG3 GLU 46 2HG GLU 46 -0.003 2.997 14.589 357 H ILE 47 H ILE 47 -1.917 0.485 10.764 358 HA ILE 47 HA ILE 47 -2.133 1.598 8.244 359 HB ILE 47 HB ILE 47 -2.307 -0.820 8.797 360 HG12 ILE 47 1HG1 ILE 47 -4.623 0.184 7.137 361 HG13 ILE 47 2HG1 ILE 47 -2.952 0.152 6.580 362 HG21 ILE 47 1HG2 ILE 47 -5.141 -0.118 9.551 363 HG22 ILE 47 2HG2 ILE 47 -3.879 -0.679 10.649 364 HG23 ILE 47 3HG2 ILE 47 -4.493 -1.751 9.390 365 HD11 ILE 47 3HD1 ILE 47 -4.626 -2.221 7.360 366 HD12 ILE 47 1HD1 ILE 47 -2.930 -2.285 6.879 367 HD13 ILE 47 2HD1 ILE 47 -4.151 -1.749 5.729 368 H GLN 48 H GLN 48 -4.404 1.834 10.931 369 HA GLN 48 HA GLN 48 -6.409 3.065 9.227 370 HB2 GLN 48 1HB GLN 48 -7.216 1.543 10.924 371 HB3 GLN 48 2HB GLN 48 -6.398 2.450 12.188 372 HG2 GLN 48 1HG GLN 48 -7.857 4.332 11.843 373 HG3 GLN 48 2HG GLN 48 -8.624 3.531 10.475 374 HE21 GLN 48 2HE2 GLN 48 -9.728 4.558 12.976 375 HE22 GLN 48 1HE2 GLN 48 -10.535 3.229 13.731 376 H ASP 49 H ASP 49 -3.702 4.068 10.955 377 HA ASP 49 HA ASP 49 -4.861 6.702 11.562 378 HB2 ASP 49 1HB ASP 49 -3.642 5.257 13.337 379 HB3 ASP 49 2HB ASP 49 -2.168 5.762 12.519 380 H ILE 50 H ILE 50 -3.409 5.287 9.100 381 HA ILE 50 HA ILE 50 -1.306 7.101 8.445 382 HB ILE 50 HB ILE 50 -2.854 5.131 6.753 383 HG12 ILE 50 1HG1 ILE 50 -0.018 5.026 7.793 384 HG13 ILE 50 2HG1 ILE 50 -1.383 4.259 8.594 385 HG21 ILE 50 1HG2 ILE 50 -2.007 6.902 5.319 386 HG22 ILE 50 2HG2 ILE 50 -1.081 5.421 5.070 387 HG23 ILE 50 3HG2 ILE 50 -0.402 6.735 6.031 388 HD11 ILE 50 3HD1 ILE 50 -0.439 3.636 5.810 389 HD12 ILE 50 1HD1 ILE 50 -1.726 2.816 6.692 390 HD13 ILE 50 2HD1 ILE 50 -0.058 2.697 7.254 391 H GLU 51 H GLU 51 -1.371 8.965 7.310 392 HA GLU 51 HA GLU 51 -3.915 10.249 6.978 393 HB2 GLU 51 1HB GLU 51 -1.141 11.131 6.170 394 HB3 GLU 51 2HB GLU 51 -2.579 12.135 6.078 395 HG2 GLU 51 1HG GLU 51 -2.817 11.811 8.564 396 HG3 GLU 51 2HG GLU 51 -1.201 11.096 8.531 397 HA PRO 52 HA PRO 52 -4.735 9.296 2.678 398 HB2 PRO 52 1HB PRO 52 -5.662 12.118 2.580 399 HB3 PRO 52 2HB PRO 52 -6.516 10.640 2.128 400 HG2 PRO 52 1HG PRO 52 -7.129 11.952 4.373 401 HG3 PRO 52 2HG PRO 52 -7.149 10.180 4.309 402 HD2 PRO 52 1HD PRO 52 -5.119 12.014 5.509 403 HD3 PRO 52 2HD PRO 52 -5.692 10.433 6.081 404 H MET 53 H MET 53 -3.252 12.335 3.695 405 HA MET 53 HA MET 53 -2.036 12.984 1.222 406 HB2 MET 53 1HB MET 53 -2.384 14.625 3.019 407 HB3 MET 53 2HB MET 53 -1.244 13.762 4.039 408 HG2 MET 53 1HG MET 53 0.542 14.246 2.428 409 HG3 MET 53 2HG MET 53 -0.610 15.149 1.445 410 HE1 MET 53 3HE MET 53 -1.528 18.130 3.834 411 HE2 MET 53 1HE MET 53 -2.368 16.585 3.712 412 HE3 MET 53 2HE MET 53 -1.798 17.396 2.252 413 H GLN 54 H GLN 54 -1.091 10.952 3.912 414 HA GLN 54 HA GLN 54 1.633 10.653 3.094 415 HB2 GLN 54 1HB GLN 54 -0.112 9.176 5.049 416 HB3 GLN 54 2HB GLN 54 1.540 8.676 4.712 417 HG2 GLN 54 1HG GLN 54 2.405 10.738 5.501 418 HG3 GLN 54 2HG GLN 54 0.788 11.426 5.649 419 HE21 GLN 54 2HE2 GLN 54 2.829 11.171 7.675 420 HE22 GLN 54 1HE2 GLN 54 2.153 10.205 8.940 421 H LEU 55 H LEU 55 -1.335 8.777 2.684 422 HA LEU 55 HA LEU 55 -0.084 6.627 1.314 423 HB2 LEU 55 1HB LEU 55 -2.397 6.676 2.404 424 HB3 LEU 55 2HB LEU 55 -2.945 7.501 0.955 425 HG LEU 55 HG LEU 55 -2.333 5.572 -0.410 426 HD11 LEU 55 1HD1 LEU 55 -1.568 3.501 0.626 427 HD12 LEU 55 2HD1 LEU 55 -1.508 4.298 2.196 428 HD13 LEU 55 3HD1 LEU 55 -0.418 4.807 0.907 429 HD21 LEU 55 3HD2 LEU 55 -3.965 4.797 2.003 430 HD22 LEU 55 1HD2 LEU 55 -3.989 3.998 0.430 431 HD23 LEU 55 2HD2 LEU 55 -4.567 5.659 0.586 432 H LEU 56 H LEU 56 -1.467 9.702 0.329 433 HA LEU 56 HA LEU 56 -1.163 9.323 -2.468 434 HB2 LEU 56 1HB LEU 56 -2.617 11.047 -1.449 435 HB3 LEU 56 2HB LEU 56 -1.201 11.883 -0.856 436 HG LEU 56 HG LEU 56 -2.443 12.710 -3.006 437 HD11 LEU 56 1HD1 LEU 56 -0.407 13.694 -2.063 438 HD12 LEU 56 2HD1 LEU 56 -0.389 13.687 -3.826 439 HD13 LEU 56 3HD1 LEU 56 0.560 12.502 -2.931 440 HD21 LEU 56 3HD2 LEU 56 -0.602 10.625 -4.165 441 HD22 LEU 56 1HD2 LEU 56 -1.488 11.851 -5.073 442 HD23 LEU 56 2HD2 LEU 56 -2.366 10.589 -4.206 443 H GLU 57 H GLU 57 0.939 10.541 0.086 444 HA GLU 57 HA GLU 57 3.111 11.351 -1.495 445 HB2 GLU 57 1HB GLU 57 2.838 11.758 0.968 446 HB3 GLU 57 2HB GLU 57 3.240 10.070 1.242 447 HG2 GLU 57 1HG GLU 57 5.204 11.304 1.636 448 HG3 GLU 57 2HG GLU 57 5.420 10.508 0.079 449 H VAL 58 H VAL 58 2.189 8.206 -0.190 450 HA VAL 58 HA VAL 58 4.356 6.684 -1.101 451 HB VAL 58 HB VAL 58 1.454 5.960 -0.685 452 HG11 VAL 58 1HG1 VAL 58 3.770 4.134 -1.282 453 HG12 VAL 58 2HG1 VAL 58 2.354 4.403 -2.295 454 HG13 VAL 58 3HG1 VAL 58 2.182 3.602 -0.733 455 HG21 VAL 58 3HG2 VAL 58 2.266 4.909 1.354 456 HG22 VAL 58 1HG2 VAL 58 2.711 6.618 1.321 457 HG23 VAL 58 2HG2 VAL 58 3.920 5.376 0.956 458 H ILE 59 H ILE 59 1.193 7.229 -2.627 459 HA ILE 59 HA ILE 59 1.726 5.930 -5.040 460 HB ILE 59 HB ILE 59 -0.268 7.939 -4.149 461 HG12 ILE 59 1HG1 ILE 59 -1.832 6.300 -5.133 462 HG13 ILE 59 2HG1 ILE 59 -0.465 5.350 -5.702 463 HG21 ILE 59 1HG2 ILE 59 0.470 8.917 -6.267 464 HG22 ILE 59 2HG2 ILE 59 -1.173 8.294 -6.371 465 HG23 ILE 59 3HG2 ILE 59 0.158 7.384 -7.081 466 HD11 ILE 59 3HD1 ILE 59 -1.191 5.896 -2.834 467 HD12 ILE 59 1HD1 ILE 59 0.216 4.979 -3.376 468 HD13 ILE 59 2HD1 ILE 59 -1.408 4.380 -3.709 469 H ARG 60 H ARG 60 2.358 9.270 -4.051 470 HA ARG 60 HA ARG 60 3.296 10.016 -6.639 471 HB2 ARG 60 1HB ARG 60 2.964 11.365 -4.054 472 HB3 ARG 60 2HB ARG 60 4.277 11.976 -5.057 473 HG2 ARG 60 1HG ARG 60 2.669 12.211 -6.931 474 HG3 ARG 60 2HG ARG 60 1.376 11.738 -5.830 475 HD2 ARG 60 1HD ARG 60 1.753 14.234 -6.230 476 HD3 ARG 60 2HD ARG 60 1.581 13.685 -4.565 477 HE ARG 60 HE ARG 60 3.720 14.352 -4.151 478 HH11 ARG 60 1HH1 ARG 60 3.345 14.100 -7.658 479 HH12 ARG 60 2HH1 ARG 60 4.876 14.855 -7.975 480 HH21 ARG 60 1HH2 ARG 60 5.712 15.312 -4.602 481 HH22 ARG 60 2HH2 ARG 60 6.232 15.524 -6.247 482 H ARG 61 H ARG 61 4.739 8.577 -3.874 483 HA ARG 61 HA ARG 61 7.449 9.091 -4.400 484 HB2 ARG 61 1HB ARG 61 6.554 7.990 -2.345 485 HB3 ARG 61 2HB ARG 61 6.205 6.557 -3.297 486 HG2 ARG 61 1HG ARG 61 8.242 6.322 -1.977 487 HG3 ARG 61 2HG ARG 61 8.565 6.215 -3.705 488 HD2 ARG 61 1HD ARG 61 9.777 8.125 -3.732 489 HD3 ARG 61 2HD ARG 61 8.769 8.906 -2.515 490 HE ARG 61 HE ARG 61 10.172 8.131 -0.877 491 HH11 ARG 61 1HH1 ARG 61 10.890 6.378 -3.827 492 HH12 ARG 61 2HH1 ARG 61 12.387 5.745 -3.226 493 HH21 ARG 61 1HH2 ARG 61 12.142 7.295 -0.098 494 HH22 ARG 61 2HH2 ARG 61 13.103 6.259 -1.124 495 H PHE 62 H PHE 62 5.162 6.738 -5.690 496 HA PHE 62 HA PHE 62 7.083 5.651 -7.561 497 HB2 PHE 62 1HB PHE 62 4.085 5.351 -7.333 498 HB3 PHE 62 2HB PHE 62 5.054 4.540 -8.558 499 HD1 PHE 62 HD2 PHE 62 6.730 2.860 -7.890 500 HD2 PHE 62 HD1 PHE 62 3.994 4.546 -5.103 501 HE1 PHE 62 HE2 PHE 62 7.175 1.006 -6.343 502 HE2 PHE 62 HE1 PHE 62 4.436 2.695 -3.546 503 HZ PHE 62 HZ PHE 62 6.027 0.920 -4.164 504 H GLU 63 H GLU 63 4.480 8.020 -7.648 505 HA GLU 63 HA GLU 63 4.173 8.372 -10.387 506 HB2 GLU 63 1HB GLU 63 2.698 9.363 -8.679 507 HB3 GLU 63 2HB GLU 63 3.988 10.469 -8.225 508 HG2 GLU 63 1HG GLU 63 3.926 11.350 -10.569 509 HG3 GLU 63 2HG GLU 63 2.461 10.395 -10.804 510 H ASP 64 H ASP 64 6.467 9.915 -8.184 511 HA ASP 64 HA ASP 64 7.365 11.924 -9.906 512 HB2 ASP 64 1HB ASP 64 7.767 11.751 -7.423 513 HB3 ASP 64 2HB ASP 64 9.031 10.579 -7.778 514 H ARG 65 H ARG 65 8.232 8.549 -9.733 515 HA ARG 65 HA ARG 65 10.524 8.943 -11.492 516 HB2 ARG 65 1HB ARG 65 9.407 6.412 -10.281 517 HB3 ARG 65 2HB ARG 65 10.880 6.514 -11.234 518 HG2 ARG 65 1HG ARG 65 11.733 8.142 -9.499 519 HG3 ARG 65 2HG ARG 65 10.346 7.668 -8.515 520 HD2 ARG 65 1HD ARG 65 12.539 5.875 -9.541 521 HD3 ARG 65 2HD ARG 65 12.279 6.371 -7.870 522 HE ARG 65 HE ARG 65 10.645 4.467 -9.400 523 HH11 ARG 65 1HH1 ARG 65 11.426 6.038 -6.377 524 HH12 ARG 65 2HH1 ARG 65 10.546 4.881 -5.403 525 HH21 ARG 65 1HH2 ARG 65 9.531 2.929 -8.121 526 HH22 ARG 65 2HH2 ARG 65 9.513 3.101 -6.385 527 H GLY 66 H GLY 66 7.319 8.817 -11.967 528 HA2 GLY 66 1HA GLY 66 6.190 8.698 -13.996 529 HA3 GLY 66 2HA GLY 66 7.652 8.068 -14.741 530 H ALA 67 H ALA 67 6.880 6.390 -11.929 531 HA ALA 67 HA ALA 67 6.156 4.058 -13.473 532 HB1 ALA 67 3HB ALA 67 6.352 2.835 -11.391 533 HB2 ALA 67 1HB ALA 67 6.454 4.345 -10.484 534 HB3 ALA 67 2HB ALA 67 7.745 3.898 -11.597 535 H MET 68 H MET 68 4.153 5.148 -14.212 536 HA MET 68 HA MET 68 2.015 5.770 -12.512 537 HB2 MET 68 1HB MET 68 2.046 4.867 -15.390 538 HB3 MET 68 2HB MET 68 0.588 5.385 -14.562 539 HG2 MET 68 1HG MET 68 3.019 7.128 -14.790 540 HG3 MET 68 2HG MET 68 1.757 7.090 -16.017 541 HE1 MET 68 3HE MET 68 1.304 8.754 -11.730 542 HE2 MET 68 1HE MET 68 2.841 8.368 -12.506 543 HE3 MET 68 2HE MET 68 1.747 7.071 -12.023 544 H GLU 69 H GLU 69 2.910 2.741 -14.084 545 HA GLU 69 HA GLU 69 0.652 1.240 -13.455 546 HB2 GLU 69 1HB GLU 69 2.450 0.474 -14.975 547 HB3 GLU 69 2HB GLU 69 3.517 0.275 -13.590 548 HG2 GLU 69 1HG GLU 69 1.572 -1.253 -12.717 549 HG3 GLU 69 2HG GLU 69 1.172 -1.348 -14.430 550 H ARG 70 H ARG 70 3.660 1.681 -11.633 551 HA ARG 70 HA ARG 70 2.844 -0.077 -9.543 552 HB2 ARG 70 1HB ARG 70 5.160 1.826 -9.827 553 HB3 ARG 70 2HB ARG 70 4.878 0.912 -8.351 554 HG2 ARG 70 1HG ARG 70 6.432 -0.353 -9.550 555 HG3 ARG 70 2HG ARG 70 4.890 -1.166 -9.819 556 HD2 ARG 70 1HD ARG 70 4.756 0.281 -11.947 557 HD3 ARG 70 2HD ARG 70 6.484 0.535 -11.700 558 HE ARG 70 HE ARG 70 5.152 -1.959 -12.441 559 HH11 ARG 70 1HH1 ARG 70 8.114 -0.309 -11.571 560 HH12 ARG 70 2HH1 ARG 70 9.154 -1.546 -12.203 561 HH21 ARG 70 1HH2 ARG 70 6.495 -3.587 -13.298 562 HH22 ARG 70 2HH2 ARG 70 8.227 -3.433 -13.175 563 H ALA 71 H ALA 71 2.562 3.339 -10.123 564 HA ALA 71 HA ALA 71 1.864 4.104 -7.485 565 HB1 ALA 71 3HB ALA 71 2.500 5.723 -9.226 566 HB2 ALA 71 1HB ALA 71 0.942 6.111 -8.497 567 HB3 ALA 71 2HB ALA 71 1.006 5.363 -10.092 568 H ASN 72 H ASN 72 -0.019 2.985 -10.269 569 HA ASN 72 HA ASN 72 -2.528 3.166 -8.900 570 HB2 ASN 72 1HB ASN 72 -1.679 1.890 -11.493 571 HB3 ASN 72 2HB ASN 72 -3.305 1.675 -10.854 572 HD21 ASN 72 2HD2 ASN 72 -1.068 3.869 -12.319 573 HD22 ASN 72 1HD2 ASN 72 -2.201 5.144 -12.611 574 H LYS 73 H LYS 73 -0.196 0.587 -9.543 575 HA LYS 73 HA LYS 73 -1.663 -1.532 -8.435 576 HB2 LYS 73 1HB LYS 73 1.272 -1.023 -8.778 577 HB3 LYS 73 2HB LYS 73 0.722 -2.428 -7.876 578 HG2 LYS 73 1HG LYS 73 -0.558 -3.165 -9.840 579 HG3 LYS 73 2HG LYS 73 0.059 -1.776 -10.739 580 HD2 LYS 73 1HD LYS 73 2.314 -2.579 -10.545 581 HD3 LYS 73 2HD LYS 73 1.805 -3.871 -9.456 582 HE2 LYS 73 1HE LYS 73 0.558 -4.934 -11.221 583 HE3 LYS 73 2HE LYS 73 0.886 -3.590 -12.314 584 HZ1 LYS 73 3HZ LYS 73 2.966 -5.362 -11.152 585 HZ2 LYS 73 1HZ LYS 73 3.208 -4.137 -12.302 586 HZ3 LYS 73 2HZ LYS 73 2.323 -5.531 -12.707 587 H ALA 74 H ALA 74 0.600 0.753 -6.926 588 HA ALA 74 HA ALA 74 0.425 -0.235 -4.312 589 HB1 ALA 74 3HB ALA 74 2.100 1.420 -5.002 590 HB2 ALA 74 1HB ALA 74 1.199 1.958 -3.585 591 HB3 ALA 74 2HB ALA 74 0.829 2.634 -5.170 592 H ARG 75 H ARG 75 -1.518 2.215 -5.992 593 HA ARG 75 HA ARG 75 -3.241 2.897 -3.921 594 HB2 ARG 75 1HB ARG 75 -3.120 4.055 -6.101 595 HB3 ARG 75 2HB ARG 75 -3.902 2.676 -6.861 596 HG2 ARG 75 1HG ARG 75 -5.889 3.052 -5.475 597 HG3 ARG 75 2HG ARG 75 -5.103 4.456 -4.752 598 HD2 ARG 75 1HD ARG 75 -4.932 5.464 -7.011 599 HD3 ARG 75 2HD ARG 75 -5.837 4.094 -7.656 600 HE ARG 75 HE ARG 75 -7.219 5.365 -5.505 601 HH11 ARG 75 1HH1 ARG 75 -6.521 5.663 -8.932 602 HH12 ARG 75 2HH1 ARG 75 -7.957 6.570 -9.266 603 HH21 ARG 75 1HH2 ARG 75 -9.098 6.529 -5.952 604 HH22 ARG 75 2HH2 ARG 75 -9.428 7.084 -7.571 605 H ARG 76 H ARG 76 -3.666 0.354 -6.391 606 HA ARG 76 HA ARG 76 -6.120 -0.632 -5.436 607 HB2 ARG 76 1HB ARG 76 -3.904 -1.924 -7.011 608 HB3 ARG 76 2HB ARG 76 -5.363 -2.796 -6.578 609 HG2 ARG 76 1HG ARG 76 -6.686 -1.091 -7.794 610 HG3 ARG 76 2HG ARG 76 -5.170 -0.346 -8.315 611 HD2 ARG 76 1HD ARG 76 -4.511 -2.350 -9.459 612 HD3 ARG 76 2HD ARG 76 -5.891 -3.229 -8.808 613 HE ARG 76 HE ARG 76 -6.106 -1.036 -10.774 614 HH11 ARG 76 1HH1 ARG 76 -7.266 -4.021 -9.355 615 HH12 ARG 76 2HH1 ARG 76 -8.429 -4.313 -10.619 616 HH21 ARG 76 1HH2 ARG 76 -7.625 -1.421 -12.435 617 HH22 ARG 76 2HH2 ARG 76 -8.614 -2.849 -12.379 618 H ARG 77 H ARG 77 -2.790 -1.588 -4.707 619 HA ARG 77 HA ARG 77 -3.607 -3.864 -3.187 620 HB2 ARG 77 1HB ARG 77 -1.191 -2.867 -4.296 621 HB3 ARG 77 2HB ARG 77 -0.923 -3.156 -2.581 622 HG2 ARG 77 1HG ARG 77 -0.346 -5.111 -3.892 623 HG3 ARG 77 2HG ARG 77 -1.715 -5.445 -2.832 624 HD2 ARG 77 1HD ARG 77 -2.788 -4.507 -5.263 625 HD3 ARG 77 2HD ARG 77 -1.531 -5.673 -5.683 626 HE ARG 77 HE ARG 77 -3.394 -6.520 -3.623 627 HH11 ARG 77 1HH1 ARG 77 -2.558 -6.599 -7.030 628 HH12 ARG 77 2HH1 ARG 77 -3.605 -7.944 -7.371 629 HH21 ARG 77 1HH2 ARG 77 -4.749 -8.270 -4.076 630 HH22 ARG 77 2HH2 ARG 77 -4.844 -8.893 -5.702 631 H CYS 78 H CYS 78 -2.556 -0.571 -2.334 632 HA CYS 78 HA CYS 78 -2.303 -1.122 0.424 633 HB2 CYS 78 1HB CYS 78 -2.426 1.306 0.783 634 HB3 CYS 78 2HB CYS 78 -1.323 0.903 -0.526 635 HG CYS 78 HG CYS 78 -2.803 1.854 -2.544 636 H GLY 79 H GLY 79 -5.012 0.190 -1.493 637 HA2 GLY 79 1HA GLY 79 -6.895 0.406 0.552 638 HA3 GLY 79 2HA GLY 79 -7.277 0.050 -1.129 639 H GLU 80 H GLU 80 -5.850 -2.405 -1.275 640 HA GLU 80 HA GLU 80 -7.773 -4.216 -0.275 641 HB2 GLU 80 1HB GLU 80 -6.434 -4.640 -2.294 642 HB3 GLU 80 2HB GLU 80 -4.982 -4.740 -1.311 643 HG2 GLU 80 1HG GLU 80 -5.761 -6.730 -0.246 644 HG3 GLU 80 2HG GLU 80 -7.339 -6.583 -1.018 645 H VAL 81 H VAL 81 -4.455 -3.439 0.769 646 HA VAL 81 HA VAL 81 -4.365 -5.237 2.940 647 HB VAL 81 HB VAL 81 -2.904 -2.605 2.607 648 HG11 VAL 81 1HG1 VAL 81 -1.319 -3.473 4.250 649 HG12 VAL 81 2HG1 VAL 81 -2.315 -4.914 4.460 650 HG13 VAL 81 3HG1 VAL 81 -2.935 -3.335 4.942 651 HG21 VAL 81 3HG2 VAL 81 -2.420 -4.159 0.805 652 HG22 VAL 81 1HG2 VAL 81 -2.066 -5.434 1.974 653 HG23 VAL 81 2HG2 VAL 81 -1.025 -4.014 1.875 654 H PHE 82 H PHE 82 -5.319 -1.824 2.749 655 HA PHE 82 HA PHE 82 -5.937 -1.403 5.443 656 HB2 PHE 82 1HB PHE 82 -6.956 -0.206 2.886 657 HB3 PHE 82 2HB PHE 82 -7.681 0.247 4.421 658 HD1 PHE 82 HD1 PHE 82 -4.153 -0.293 3.292 659 HD2 PHE 82 HD2 PHE 82 -6.999 2.320 5.065 660 HE1 PHE 82 HE1 PHE 82 -2.392 1.390 3.625 661 HE2 PHE 82 HE2 PHE 82 -5.244 4.008 5.401 662 HZ PHE 82 HZ PHE 82 -2.936 3.547 4.679 663 H ARG 83 H ARG 83 -7.999 -2.557 2.802 664 HA ARG 83 HA ARG 83 -10.319 -2.931 4.370 665 HB2 ARG 83 1HB ARG 83 -10.359 -2.760 1.925 666 HB3 ARG 83 2HB ARG 83 -9.474 -4.274 1.799 667 HG2 ARG 83 1HG ARG 83 -11.340 -5.473 2.781 668 HG3 ARG 83 2HG ARG 83 -12.225 -3.957 2.981 669 HD2 ARG 83 1HD ARG 83 -11.319 -5.146 0.363 670 HD3 ARG 83 2HD ARG 83 -12.964 -5.176 0.995 671 HE ARG 83 HE ARG 83 -12.393 -2.542 0.967 672 HH11 ARG 83 1HH1 ARG 83 -12.034 -5.037 -1.466 673 HH12 ARG 83 2HH1 ARG 83 -12.404 -3.977 -2.792 674 HH21 ARG 83 1HH2 ARG 83 -12.829 -1.126 -0.781 675 HH22 ARG 83 2HH2 ARG 83 -12.851 -1.754 -2.405 676 H TYR 84 H TYR 84 -7.591 -4.997 3.581 677 HA TYR 84 HA TYR 84 -8.534 -7.443 4.553 678 HB2 TYR 84 1HB TYR 84 -6.388 -6.947 3.254 679 HB3 TYR 84 2HB TYR 84 -5.683 -6.468 4.791 680 HD1 TYR 84 HD2 TYR 84 -7.289 -9.320 3.044 681 HD2 TYR 84 HD1 TYR 84 -4.728 -8.080 6.209 682 HE1 TYR 84 HE2 TYR 84 -6.671 -11.661 3.453 683 HE2 TYR 84 HE1 TYR 84 -4.099 -10.422 6.621 684 HH TYR 84 HH TYR 84 -4.814 -12.918 4.424 685 H ALA 85 H ALA 85 -6.953 -4.743 6.179 686 HA ALA 85 HA ALA 85 -6.840 -5.974 8.744 687 HB1 ALA 85 3HB ALA 85 -5.370 -4.113 8.072 688 HB2 ALA 85 1HB ALA 85 -6.242 -3.777 9.569 689 HB3 ALA 85 2HB ALA 85 -6.770 -3.039 8.057 690 H ILE 86 H ILE 86 -9.260 -4.182 7.001 691 HA ILE 86 HA ILE 86 -10.950 -3.639 9.231 692 HB ILE 86 HB ILE 86 -11.632 -3.834 6.290 693 HG12 ILE 86 1HG1 ILE 86 -11.114 -1.432 8.063 694 HG13 ILE 86 2HG1 ILE 86 -10.000 -2.064 6.855 695 HG21 ILE 86 1HG2 ILE 86 -13.249 -2.725 8.586 696 HG22 ILE 86 2HG2 ILE 86 -13.620 -4.168 7.643 697 HG23 ILE 86 3HG2 ILE 86 -13.668 -2.579 6.880 698 HD11 ILE 86 3HD1 ILE 86 -11.167 -0.111 6.031 699 HD12 ILE 86 1HD1 ILE 86 -12.719 -0.894 6.319 700 HD13 ILE 86 2HD1 ILE 86 -11.620 -1.539 5.102 701 H VAL 87 H VAL 87 -10.757 -6.231 6.842 702 HA VAL 87 HA VAL 87 -13.043 -7.662 7.623 703 HB VAL 87 HB VAL 87 -10.479 -8.747 6.431 704 HG11 VAL 87 1HG1 VAL 87 -11.875 -10.508 7.423 705 HG12 VAL 87 2HG1 VAL 87 -11.837 -10.623 5.663 706 HG13 VAL 87 3HG1 VAL 87 -13.250 -9.946 6.472 707 HG21 VAL 87 3HG2 VAL 87 -13.025 -7.799 5.120 708 HG22 VAL 87 1HG2 VAL 87 -11.677 -8.574 4.289 709 HG23 VAL 87 2HG2 VAL 87 -11.454 -7.001 5.054 710 H THR 88 H THR 88 -9.704 -7.797 8.792 711 HA THR 88 HA THR 88 -10.337 -9.909 10.661 712 HB THR 88 HB THR 88 -8.125 -9.888 9.648 713 HG1 THR 88 HG1 THR 88 -8.377 -9.555 12.435 714 HG21 THR 88 3HG2 THR 88 -7.815 -7.517 9.316 715 HG22 THR 88 1HG2 THR 88 -6.481 -8.155 10.278 716 HG23 THR 88 2HG2 THR 88 -7.777 -7.249 11.059 717 H GLY 89 H GLY 89 -10.759 -6.586 10.622 718 HA2 GLY 89 1HA GLY 89 -12.030 -5.479 12.222 719 HA3 GLY 89 2HA GLY 89 -11.701 -6.773 13.353 720 H ARG 90 H ARG 90 -8.871 -5.448 11.898 721 HA ARG 90 HA ARG 90 -8.433 -3.942 14.386 722 HB2 ARG 90 1HB ARG 90 -6.028 -4.143 13.986 723 HB3 ARG 90 2HB ARG 90 -6.810 -5.711 14.083 724 HG2 ARG 90 1HG ARG 90 -6.785 -5.800 11.593 725 HG3 ARG 90 2HG ARG 90 -5.828 -4.317 11.606 726 HD2 ARG 90 1HD ARG 90 -4.087 -5.398 12.880 727 HD3 ARG 90 2HD ARG 90 -5.056 -6.861 13.029 728 HE ARG 90 HE ARG 90 -3.883 -5.870 10.512 729 HH11 ARG 90 1HH1 ARG 90 -5.097 -8.454 12.515 730 HH12 ARG 90 2HH1 ARG 90 -4.585 -9.723 11.441 731 HH21 ARG 90 1HH2 ARG 90 -3.183 -7.540 9.086 732 HH22 ARG 90 2HH2 ARG 90 -3.465 -9.206 9.501 733 H ALA 91 H ALA 91 -9.476 -3.390 11.453 734 HA ALA 91 HA ALA 91 -8.833 -0.561 11.723 735 HB1 ALA 91 3HB ALA 91 -8.445 -0.278 9.336 736 HB2 ALA 91 1HB ALA 91 -8.614 -2.015 9.082 737 HB3 ALA 91 2HB ALA 91 -7.256 -1.389 10.018 738 H LYS 92 H LYS 92 -10.584 0.753 11.015 739 HA LYS 92 HA LYS 92 -12.948 -0.770 10.134 740 HB2 LYS 92 1HB LYS 92 -12.979 -0.114 12.578 741 HB3 LYS 92 2HB LYS 92 -13.080 1.559 12.047 742 HG2 LYS 92 1HG LYS 92 -15.171 1.086 10.900 743 HG3 LYS 92 2HG LYS 92 -15.058 -0.609 11.375 744 HD2 LYS 92 1HD LYS 92 -15.141 0.078 13.742 745 HD3 LYS 92 2HD LYS 92 -15.343 1.756 13.228 746 HE2 LYS 92 1HE LYS 92 -17.406 1.128 12.051 747 HE3 LYS 92 2HE LYS 92 -17.200 -0.535 12.598 748 HZ1 LYS 92 3HZ LYS 92 -18.774 0.701 13.962 749 HZ2 LYS 92 1HZ LYS 92 -17.567 1.817 14.374 750 HZ3 LYS 92 2HZ LYS 92 -17.436 0.199 14.871 751 H TYR 93 H TYR 93 -10.848 1.694 9.392 752 HA TYR 93 HA TYR 93 -12.714 2.724 7.410 753 HB2 TYR 93 1HB TYR 93 -12.874 4.289 9.321 754 HB3 TYR 93 2HB TYR 93 -11.136 4.561 9.227 755 HD1 TYR 93 HD1 TYR 93 -14.258 4.853 7.211 756 HD2 TYR 93 HD2 TYR 93 -10.302 6.278 7.870 757 HE1 TYR 93 HE1 TYR 93 -14.648 6.666 5.596 758 HE2 TYR 93 HE2 TYR 93 -10.683 8.095 6.255 759 HH TYR 93 HH TYR 93 -12.154 8.582 4.315 760 H ASN 94 H ASN 94 -11.790 2.754 5.501 761 HA ASN 94 HA ASN 94 -8.874 3.083 5.356 762 HB2 ASN 94 1HB ASN 94 -9.031 1.950 3.130 763 HB3 ASN 94 2HB ASN 94 -9.479 0.916 4.478 764 HD21 ASN 94 2HD2 ASN 94 -10.150 0.760 1.614 765 HD22 ASN 94 1HD2 ASN 94 -11.879 0.718 1.549 766 HA PRO 95 HA PRO 95 -10.047 7.009 3.545 767 HB2 PRO 95 1HB PRO 95 -7.515 7.916 3.182 768 HB3 PRO 95 2HB PRO 95 -8.311 7.912 4.759 769 HG2 PRO 95 1HG PRO 95 -6.345 5.962 3.624 770 HG3 PRO 95 2HG PRO 95 -6.410 6.665 5.251 771 HD2 PRO 95 1HD PRO 95 -7.318 4.178 4.704 772 HD3 PRO 95 2HD PRO 95 -8.051 5.204 5.952 773 H ALA 96 H ALA 96 -10.173 4.753 1.872 774 HA ALA 96 HA ALA 96 -8.461 4.957 -0.378 775 HB1 ALA 96 3HB ALA 96 -9.631 2.892 0.194 776 HB2 ALA 96 1HB ALA 96 -9.991 3.401 -1.455 777 HB3 ALA 96 2HB ALA 96 -11.176 3.662 -0.174 778 HA PRO 97 HA PRO 97 -12.112 7.497 -2.392 779 HB2 PRO 97 1HB PRO 97 -13.687 8.815 -0.561 780 HB3 PRO 97 2HB PRO 97 -14.150 7.310 -1.363 781 HG2 PRO 97 1HG PRO 97 -13.002 7.734 1.364 782 HG3 PRO 97 2HG PRO 97 -14.283 6.621 0.845 783 HD2 PRO 97 1HD PRO 97 -11.769 5.783 1.304 784 HD3 PRO 97 2HD PRO 97 -12.774 5.070 0.028 785 H ASP 98 H ASP 98 -10.804 8.369 0.756 786 HA ASP 98 HA ASP 98 -10.429 11.120 0.329 787 HB2 ASP 98 1HB ASP 98 -8.807 9.225 2.047 788 HB3 ASP 98 2HB ASP 98 -8.785 10.981 2.163 789 H LEU 99 H LEU 99 -8.294 8.348 -0.176 790 HA LEU 99 HA LEU 99 -6.034 9.669 -1.116 791 HB2 LEU 99 1HB LEU 99 -6.220 7.250 -0.527 792 HB3 LEU 99 2HB LEU 99 -7.105 6.986 -2.011 793 HG LEU 99 HG LEU 99 -4.623 6.346 -1.953 794 HD11 LEU 99 1HD1 LEU 99 -5.602 8.153 -4.154 795 HD12 LEU 99 2HD1 LEU 99 -5.924 6.425 -4.012 796 HD13 LEU 99 3HD1 LEU 99 -4.276 6.996 -4.272 797 HD21 LEU 99 3HD2 LEU 99 -4.351 9.328 -2.254 798 HD22 LEU 99 1HD2 LEU 99 -3.063 8.148 -2.491 799 HD23 LEU 99 2HD2 LEU 99 -3.783 8.357 -0.895 800 H ALA 100 H ALA 100 -8.962 8.669 -2.794 801 HA ALA 100 HA ALA 100 -8.110 9.241 -5.418 802 HB1 ALA 100 3HB ALA 100 -10.046 7.844 -4.958 803 HB2 ALA 100 1HB ALA 100 -10.492 9.206 -5.985 804 HB3 ALA 100 2HB ALA 100 -10.897 9.226 -4.267 805 H ASP 101 H ASP 101 -9.869 11.187 -3.021 806 HA ASP 101 HA ASP 101 -10.095 13.459 -4.742 807 HB2 ASP 101 1HB ASP 101 -10.511 13.105 -1.775 808 HB3 ASP 101 2HB ASP 101 -10.693 14.661 -2.578 809 H ALA 102 H ALA 102 -7.782 12.378 -2.350 810 HA ALA 102 HA ALA 102 -6.308 14.772 -2.117 811 HB1 ALA 102 3HB ALA 102 -5.305 11.939 -1.847 812 HB2 ALA 102 1HB ALA 102 -6.073 12.879 -0.566 813 HB3 ALA 102 2HB ALA 102 -4.520 13.392 -1.227 814 H MET 103 H MET 103 -5.793 11.912 -4.164 815 HA MET 103 HA MET 103 -3.591 12.830 -5.613 816 HB2 MET 103 1HB MET 103 -4.406 10.514 -5.674 817 HB3 MET 103 2HB MET 103 -5.851 11.035 -6.525 818 HG2 MET 103 1HG MET 103 -4.387 11.808 -8.388 819 HG3 MET 103 2HG MET 103 -3.022 11.078 -7.543 820 HE1 MET 103 3HE MET 103 -4.411 8.555 -6.242 821 HE2 MET 103 1HE MET 103 -2.845 8.437 -7.041 822 HE3 MET 103 2HE MET 103 -4.127 7.299 -7.448 823 H LYS 104 H LYS 104 -7.014 13.419 -6.025 824 HA LYS 104 HA LYS 104 -6.802 14.712 -8.559 825 HB2 LYS 104 1HB LYS 104 -8.873 13.648 -7.865 826 HB3 LYS 104 2HB LYS 104 -8.985 14.714 -6.474 827 HG2 LYS 104 1HG LYS 104 -9.269 16.630 -7.971 828 HG3 LYS 104 2HG LYS 104 -9.181 15.544 -9.361 829 HD2 LYS 104 1HD LYS 104 -11.157 14.351 -8.560 830 HD3 LYS 104 2HD LYS 104 -11.236 15.416 -7.155 831 HE2 LYS 104 1HE LYS 104 -11.590 17.333 -8.622 832 HE3 LYS 104 2HE LYS 104 -11.485 16.282 -10.033 833 HZ1 LYS 104 3HZ LYS 104 -13.561 16.196 -7.915 834 HZ2 LYS 104 1HZ LYS 104 -13.435 15.071 -9.176 835 HZ3 LYS 104 2HZ LYS 104 -13.774 16.700 -9.513 836 H GLY 105 H GLY 105 -7.201 15.866 -5.237 837 HA2 GLY 105 1HA GLY 105 -7.331 18.619 -6.025 838 HA3 GLY 105 2HA GLY 105 -7.255 18.009 -4.381 839 H TYR 106 H TYR 106 -4.751 16.506 -4.946 840 HA TYR 106 HA TYR 106 -2.972 18.586 -4.180 841 HB2 TYR 106 1HB TYR 106 -2.868 16.085 -3.573 842 HB3 TYR 106 2HB TYR 106 -2.090 15.870 -5.137 843 HD1 TYR 106 HD1 TYR 106 -1.770 17.434 -1.818 844 HD2 TYR 106 HD2 TYR 106 0.191 16.518 -5.481 845 HE1 TYR 106 HE1 TYR 106 0.385 18.041 -0.806 846 HE2 TYR 106 HE2 TYR 106 2.357 17.123 -4.479 847 HH TYR 106 HH TYR 106 3.166 18.585 -2.582 848 H ARG 107 H ARG 107 -3.707 17.012 -7.209 849 HA ARG 107 HA ARG 107 -1.420 18.120 -8.574 850 HB2 ARG 107 1HB ARG 107 -3.833 16.605 -9.558 851 HB3 ARG 107 2HB ARG 107 -2.565 17.195 -10.623 852 HG2 ARG 107 1HG ARG 107 -0.928 15.840 -9.379 853 HG3 ARG 107 2HG ARG 107 -2.242 15.206 -8.386 854 HD2 ARG 107 1HD ARG 107 -3.315 14.301 -10.377 855 HD3 ARG 107 2HD ARG 107 -2.018 14.945 -11.379 856 HE ARG 107 HE ARG 107 -0.627 13.387 -9.739 857 HH11 ARG 107 1HH1 ARG 107 -3.675 12.785 -11.339 858 HH12 ARG 107 2HH1 ARG 107 -3.385 11.081 -11.534 859 HH21 ARG 107 1HH2 ARG 107 -0.233 11.156 -9.977 860 HH22 ARG 107 2HH2 ARG 107 -1.429 10.155 -10.760 861 H LYS 108 H LYS 108 -3.873 19.675 -7.338 862 HA LYS 108 HA LYS 108 -4.501 21.362 -9.620 863 HB2 LYS 108 1HB LYS 108 -6.236 20.857 -7.924 864 HB3 LYS 108 2HB LYS 108 -5.264 21.664 -6.705 865 HG2 LYS 108 1HG LYS 108 -5.667 23.771 -7.596 866 HG3 LYS 108 2HG LYS 108 -6.149 23.122 -9.162 867 HD2 LYS 108 1HD LYS 108 -8.036 24.009 -7.780 868 HD3 LYS 108 2HD LYS 108 -8.225 22.330 -8.281 869 HE2 LYS 108 1HE LYS 108 -6.863 22.501 -5.745 870 HE3 LYS 108 2HE LYS 108 -8.400 23.363 -5.689 871 HZ1 LYS 108 3HZ LYS 108 -9.553 21.409 -6.372 872 HZ2 LYS 108 1HZ LYS 108 -8.542 20.966 -5.084 873 HZ3 LYS 108 2HZ LYS 108 -8.112 20.577 -6.680 874 H LYS 109 H LYS 109 -2.020 20.998 -7.458 875 HA LYS 109 HA LYS 109 -1.173 23.795 -7.647 876 HB2 LYS 109 1HB LYS 109 0.015 21.447 -6.154 877 HB3 LYS 109 2HB LYS 109 0.722 23.055 -6.188 878 HG2 LYS 109 1HG LYS 109 -1.349 23.932 -5.147 879 HG3 LYS 109 2HG LYS 109 -1.938 22.274 -5.016 880 HD2 LYS 109 1HD LYS 109 -0.070 21.687 -3.590 881 HD3 LYS 109 2HD LYS 109 0.620 23.299 -3.785 882 HE2 LYS 109 1HE LYS 109 -0.482 23.229 -1.669 883 HE3 LYS 109 2HE LYS 109 -1.453 24.227 -2.750 884 HZ1 LYS 109 3HZ LYS 109 -2.939 22.830 -1.609 885 HZ2 LYS 109 1HZ LYS 109 -1.993 21.451 -1.874 886 HZ3 LYS 109 2HZ LYS 109 -2.814 22.175 -3.166 887 H ASN 110 H ASN 110 0.976 24.272 -8.466 888 HA ASN 110 HA ASN 110 1.770 22.391 -10.588 889 HB2 ASN 110 1HB ASN 110 2.152 25.379 -10.337 890 HB3 ASN 110 2HB ASN 110 2.937 24.407 -11.578 891 HD21 ASN 110 2HD2 ASN 110 0.744 22.630 -12.009 892 HD22 ASN 110 1HD2 ASN 110 -0.490 23.534 -12.826 893 H LEU 111 H LEU 111 2.568 23.249 -7.563 894 HA LEU 111 HA LEU 111 5.310 22.323 -7.910 895 HB2 LEU 111 1HB LEU 111 5.288 24.837 -7.821 896 HB3 LEU 111 2HB LEU 111 4.590 24.720 -6.218 897 HG LEU 111 HG LEU 111 6.610 23.623 -5.391 898 HD11 LEU 111 1HD1 LEU 111 7.253 22.471 -7.454 899 HD12 LEU 111 2HD1 LEU 111 8.587 23.420 -6.796 900 HD13 LEU 111 3HD1 LEU 111 7.678 24.019 -8.183 901 HD21 LEU 111 3HD2 LEU 111 8.114 25.534 -5.555 902 HD22 LEU 111 1HD2 LEU 111 6.448 26.065 -5.331 903 HD23 LEU 111 2HD2 LEU 111 7.194 26.153 -6.928 904 H GLU 112 H GLU 112 5.907 20.915 -6.366 905 HA GLU 112 HA GLU 112 4.044 19.595 -4.809 906 HB2 GLU 112 1HB GLU 112 6.305 18.749 -5.470 907 HB3 GLU 112 2HB GLU 112 7.003 19.768 -4.220 908 HG2 GLU 112 1HG GLU 112 5.598 18.535 -2.554 909 HG3 GLU 112 2HG GLU 112 5.151 17.429 -3.853 910 H HIS 113 H HIS 113 6.223 22.207 -3.861 911 HA HIS 113 HA HIS 113 4.710 22.462 -1.346 912 HB2 HIS 113 1HB HIS 113 7.642 23.095 -1.790 913 HB3 HIS 113 2HB HIS 113 6.755 23.381 -0.299 914 HD1 HIS 113 HD1 HIS 113 6.255 21.341 1.201 915 HD2 HIS 113 HD2 HIS 113 8.332 20.427 -2.283 916 HE1 HIS 113 HE1 HIS 113 7.073 18.982 1.493 917 HE2 HIS 113 HE2 HIS 113 8.045 18.368 -0.750 918 H HIS 114 H HIS 114 5.109 24.831 -0.459 919 HA HIS 114 HA HIS 114 4.122 26.557 -2.560 920 HB2 HIS 114 1HB HIS 114 4.656 27.120 0.364 921 HB3 HIS 114 2HB HIS 114 3.922 28.259 -0.755 922 HD1 HIS 114 HD1 HIS 114 2.002 26.118 -2.126 923 HD2 HIS 114 HD2 HIS 114 2.443 26.799 1.956 924 HE1 HIS 114 HE1 HIS 114 -0.135 25.318 -1.066 925 HE2 HIS 114 HE2 HIS 114 0.063 25.982 1.360 926 H HIS 115 H HIS 115 6.934 26.375 -0.438 927 HA HIS 115 HA HIS 115 9.019 27.239 -0.550 928 HB2 HIS 115 1HB HIS 115 8.246 27.490 -3.444 929 HB3 HIS 115 2HB HIS 115 9.792 28.099 -2.862 930 HD1 HIS 115 HD1 HIS 115 11.573 26.387 -2.192 931 HD2 HIS 115 HD2 HIS 115 8.006 24.680 -3.476 932 HE1 HIS 115 HE1 HIS 115 12.077 23.943 -2.532 933 HE2 HIS 115 HE2 HIS 115 9.950 22.967 -3.484 934 H HIS 116 H HIS 116 6.479 28.963 -0.269 935 HA HIS 116 HA HIS 116 7.924 31.529 -0.317 936 HB2 HIS 116 1HB HIS 116 4.944 30.973 -0.314 937 HB3 HIS 116 2HB HIS 116 5.631 32.569 -0.035 938 HD1 HIS 116 HD1 HIS 116 6.240 33.930 -2.066 939 HD2 HIS 116 HD2 HIS 116 5.385 29.962 -2.977 940 HE1 HIS 116 HE1 HIS 116 6.172 33.805 -4.575 941 HE2 HIS 116 HE2 HIS 116 5.869 31.355 -5.097 942 H HIS 117 H HIS 117 8.672 32.128 1.616 943 HA HIS 117 HA HIS 117 7.391 30.910 3.974 944 HB2 HIS 117 1HB HIS 117 10.326 31.407 3.467 945 HB3 HIS 117 2HB HIS 117 9.664 30.911 5.022 946 HD1 HIS 117 HD1 HIS 117 10.750 29.612 1.757 947 HD2 HIS 117 HD2 HIS 117 8.527 28.257 5.004 948 HE1 HIS 117 HE1 HIS 117 10.576 27.117 1.473 949 HE2 HIS 117 HE2 HIS 117 9.372 26.302 3.534 950 H HIS 118 H HIS 118 6.133 32.596 4.559 951 HA HIS 118 HA HIS 118 7.363 34.522 6.226 952 HB2 HIS 118 1HB HIS 118 7.750 35.685 4.083 953 HB3 HIS 118 2HB HIS 118 6.027 35.601 3.726 954 HD1 HIS 118 HD1 HIS 118 8.068 36.883 6.689 955 HD2 HIS 118 HD2 HIS 118 4.883 37.978 4.252 956 HE1 HIS 118 HE1 HIS 118 7.307 39.127 7.535 957 HE2 HIS 118 HE2 HIS 118 5.279 39.692 6.149 Start of MODEL 17 1 H1 SER 1 1H SER 1 -0.016 -7.702 24.602 2 H2 SER 1 2H SER 1 -0.043 -6.058 25.009 3 H3 SER 1 3H SER 1 1.394 -6.769 24.455 4 HA SER 1 HA SER 1 -1.090 -6.332 22.914 5 HB2 SER 1 1HB SER 1 1.698 -5.192 22.582 6 HB3 SER 1 2HB SER 1 0.288 -4.806 21.592 7 HG SER 1 HG SER 1 -0.361 -3.462 23.070 8 H SER 2 H SER 2 -1.451 -8.196 21.884 9 HA SER 2 HA SER 2 0.749 -9.833 20.940 10 HB2 SER 2 1HB SER 2 -2.218 -10.247 20.519 11 HB3 SER 2 2HB SER 2 -0.942 -11.457 20.385 12 HG SER 2 HG SER 2 -2.122 -11.512 22.397 13 H ASN 3 H ASN 3 -1.724 -7.719 19.639 14 HA ASN 3 HA ASN 3 -0.488 -7.982 16.982 15 HB2 ASN 3 1HB ASN 3 -3.406 -7.747 17.705 16 HB3 ASN 3 2HB ASN 3 -2.812 -7.316 16.107 17 HD21 ASN 3 2HD2 ASN 3 -4.652 -9.420 16.976 18 HD22 ASN 3 1HD2 ASN 3 -3.991 -10.906 16.374 19 H ASN 4 H ASN 4 -0.154 -6.128 15.848 20 HA ASN 4 HA ASN 4 -0.919 -3.589 17.125 21 HB2 ASN 4 1HB ASN 4 1.504 -4.149 17.509 22 HB3 ASN 4 2HB ASN 4 1.735 -4.152 15.768 23 HD21 ASN 4 2HD2 ASN 4 2.877 -2.512 17.949 24 HD22 ASN 4 1HD2 ASN 4 2.600 -0.868 17.467 25 H ASN 5 H ASN 5 -1.630 -2.020 15.704 26 HA ASN 5 HA ASN 5 -2.413 -3.059 13.113 27 HB2 ASN 5 1HB ASN 5 -3.130 -0.504 14.554 28 HB3 ASN 5 2HB ASN 5 -3.737 -0.933 12.960 29 HD21 ASN 5 2HD2 ASN 5 -5.234 -0.448 15.344 30 HD22 ASN 5 1HD2 ASN 5 -6.109 -1.896 15.697 31 H SER 6 H SER 6 0.416 -2.030 13.831 32 HA SER 6 HA SER 6 0.882 0.216 12.191 33 HB2 SER 6 1HB SER 6 3.264 -0.512 12.242 34 HB3 SER 6 2HB SER 6 2.531 -0.465 13.844 35 HG SER 6 HG SER 6 3.703 -2.516 12.612 36 H PHE 7 H PHE 7 1.461 0.389 10.055 37 HA PHE 7 HA PHE 7 0.314 -1.427 8.264 38 HB2 PHE 7 1HB PHE 7 0.840 1.040 7.895 39 HB3 PHE 7 2HB PHE 7 2.492 0.538 7.559 40 HD1 PHE 7 HD2 PHE 7 -0.989 0.378 6.397 41 HD2 PHE 7 HD1 PHE 7 3.076 -0.488 5.486 42 HE1 PHE 7 HE2 PHE 7 -1.609 -0.020 4.047 43 HE2 PHE 7 HE1 PHE 7 2.465 -0.890 3.137 44 HZ PHE 7 HZ PHE 7 0.122 -0.659 2.416 45 H SER 8 H SER 8 3.587 -1.117 9.484 46 HA SER 8 HA SER 8 4.968 -2.829 7.793 47 HB2 SER 8 1HB SER 8 6.397 -3.250 9.871 48 HB3 SER 8 2HB SER 8 6.184 -1.562 9.403 49 HG SER 8 HG SER 8 5.721 -1.528 11.521 50 H ALA 9 H ALA 9 3.118 -3.572 10.712 51 HA ALA 9 HA ALA 9 3.638 -6.319 10.818 52 HB1 ALA 9 3HB ALA 9 2.684 -5.086 12.688 53 HB2 ALA 9 1HB ALA 9 1.650 -6.445 12.251 54 HB3 ALA 9 2HB ALA 9 1.206 -4.805 11.769 55 H ILE 10 H ILE 10 0.903 -4.543 9.428 56 HA ILE 10 HA ILE 10 -0.427 -6.889 8.543 57 HB ILE 10 HB ILE 10 -0.897 -4.072 7.571 58 HG12 ILE 10 1HG1 ILE 10 -2.020 -5.486 10.003 59 HG13 ILE 10 2HG1 ILE 10 -0.872 -4.152 10.033 60 HG21 ILE 10 1HG2 ILE 10 -2.034 -5.799 6.282 61 HG22 ILE 10 2HG2 ILE 10 -3.196 -4.875 7.233 62 HG23 ILE 10 3HG2 ILE 10 -2.704 -6.484 7.763 63 HD11 ILE 10 3HD1 ILE 10 -3.114 -3.397 10.545 64 HD12 ILE 10 1HD1 ILE 10 -3.696 -4.034 9.008 65 HD13 ILE 10 2HD1 ILE 10 -2.549 -2.694 9.029 66 H TYR 11 H TYR 11 1.844 -4.659 7.019 67 HA TYR 11 HA TYR 11 1.368 -5.443 4.358 68 HB2 TYR 11 1HB TYR 11 2.861 -3.842 3.909 69 HB3 TYR 11 2HB TYR 11 3.078 -3.630 5.639 70 HD1 TYR 11 HD2 TYR 11 5.029 -4.572 6.764 71 HD2 TYR 11 HD1 TYR 11 4.535 -4.986 2.561 72 HE1 TYR 11 HE2 TYR 11 7.394 -5.192 6.558 73 HE2 TYR 11 HE1 TYR 11 6.906 -5.610 2.340 74 HH TYR 11 HH TYR 11 9.108 -5.074 3.878 75 H LYS 12 H LYS 12 3.499 -6.794 6.852 76 HA LYS 12 HA LYS 12 4.616 -8.692 5.007 77 HB2 LYS 12 1HB LYS 12 5.847 -7.891 7.017 78 HB3 LYS 12 2HB LYS 12 4.709 -8.780 8.024 79 HG2 LYS 12 1HG LYS 12 5.504 -10.840 7.342 80 HG3 LYS 12 2HG LYS 12 6.216 -10.192 5.865 81 HD2 LYS 12 1HD LYS 12 7.848 -8.952 7.317 82 HD3 LYS 12 2HD LYS 12 7.212 -9.860 8.690 83 HE2 LYS 12 1HE LYS 12 8.258 -11.205 6.215 84 HE3 LYS 12 2HE LYS 12 9.308 -10.778 7.566 85 HZ1 LYS 12 3HZ LYS 12 6.941 -12.574 7.694 86 HZ2 LYS 12 1HZ LYS 12 7.940 -12.160 9.005 87 HZ3 LYS 12 2HZ LYS 12 8.569 -13.060 7.716 88 H GLU 13 H GLU 13 2.075 -8.782 7.478 89 HA GLU 13 HA GLU 13 1.516 -11.536 7.313 90 HB2 GLU 13 1HB GLU 13 -0.255 -9.192 8.020 91 HB3 GLU 13 2HB GLU 13 -0.763 -10.867 8.172 92 HG2 GLU 13 1HG GLU 13 0.889 -11.298 9.836 93 HG3 GLU 13 2HG GLU 13 1.651 -9.731 9.561 94 H TRP 14 H TRP 14 0.229 -8.766 5.532 95 HA TRP 14 HA TRP 14 -1.575 -10.150 3.884 96 HB2 TRP 14 1HB TRP 14 -1.745 -7.786 3.974 97 HB3 TRP 14 2HB TRP 14 -0.051 -7.566 3.553 98 HD1 TRP 14 HD1 TRP 14 -3.360 -8.721 1.909 99 HE1 TRP 14 HE1 TRP 14 -3.239 -8.167 -0.609 100 HE3 TRP 14 HE3 TRP 14 1.444 -6.984 1.687 101 HZ2 TRP 14 HZ2 TRP 14 -1.364 -7.135 -2.428 102 HZ3 TRP 14 HZ3 TRP 14 2.322 -6.230 -0.486 103 HH2 TRP 14 HH2 TRP 14 0.945 -6.306 -2.500 104 H TYR 15 H TYR 15 1.804 -9.198 3.309 105 HA TYR 15 HA TYR 15 2.076 -10.255 0.756 106 HB2 TYR 15 1HB TYR 15 3.823 -8.854 1.509 107 HB3 TYR 15 2HB TYR 15 4.076 -9.811 2.966 108 HD1 TYR 15 HD1 TYR 15 4.135 -10.322 -0.747 109 HD2 TYR 15 HD2 TYR 15 5.967 -11.127 3.008 110 HE1 TYR 15 HE1 TYR 15 5.889 -11.617 -1.885 111 HE2 TYR 15 HE2 TYR 15 7.727 -12.421 1.880 112 HH TYR 15 HH TYR 15 8.211 -12.356 -1.475 113 H GLU 16 H GLU 16 2.963 -11.823 3.852 114 HA GLU 16 HA GLU 16 3.764 -14.221 2.568 115 HB2 GLU 16 1HB GLU 16 3.128 -13.642 5.458 116 HB3 GLU 16 2HB GLU 16 3.785 -15.170 4.887 117 HG2 GLU 16 1HG GLU 16 5.704 -13.864 3.932 118 HG3 GLU 16 2HG GLU 16 5.071 -12.461 4.791 119 H HIS 17 H HIS 17 0.685 -13.030 3.442 120 HA HIS 17 HA HIS 17 -0.618 -15.591 3.511 121 HB2 HIS 17 1HB HIS 17 -1.639 -13.691 4.649 122 HB3 HIS 17 2HB HIS 17 -1.722 -12.794 3.140 123 HD1 HIS 17 HD1 HIS 17 -3.530 -15.293 5.178 124 HD2 HIS 17 HD2 HIS 17 -3.727 -13.734 1.323 125 HE1 HIS 17 HE1 HIS 17 -5.778 -15.981 4.276 126 HE2 HIS 17 HE2 HIS 17 -5.827 -15.128 1.899 127 H LYS 18 H LYS 18 -0.632 -12.906 1.142 128 HA LYS 18 HA LYS 18 -1.928 -14.574 -0.820 129 HB2 LYS 18 1HB LYS 18 -2.177 -12.015 -0.432 130 HB3 LYS 18 2HB LYS 18 -0.718 -11.888 -1.405 131 HG2 LYS 18 1HG LYS 18 -1.784 -12.836 -3.294 132 HG3 LYS 18 2HG LYS 18 -3.188 -13.322 -2.341 133 HD2 LYS 18 1HD LYS 18 -3.686 -10.942 -1.920 134 HD3 LYS 18 2HD LYS 18 -2.323 -10.495 -2.948 135 HE2 LYS 18 1HE LYS 18 -3.393 -11.644 -4.836 136 HE3 LYS 18 2HE LYS 18 -4.762 -12.051 -3.802 137 HZ1 LYS 18 3HZ LYS 18 -3.883 -9.284 -4.404 138 HZ2 LYS 18 1HZ LYS 18 -5.272 -9.731 -3.548 139 HZ3 LYS 18 2HZ LYS 18 -5.140 -10.079 -5.209 140 H LYS 19 H LYS 19 1.132 -14.374 0.256 141 HA LYS 19 HA LYS 19 2.784 -14.574 -1.992 142 HB2 LYS 19 1HB LYS 19 3.426 -14.383 0.459 143 HB3 LYS 19 2HB LYS 19 3.083 -16.098 0.599 144 HG2 LYS 19 1HG LYS 19 4.831 -16.548 -1.086 145 HG3 LYS 19 2HG LYS 19 5.212 -14.821 -1.103 146 HD2 LYS 19 1HD LYS 19 5.630 -14.936 1.335 147 HD3 LYS 19 2HD LYS 19 5.368 -16.678 1.268 148 HE2 LYS 19 1HE LYS 19 7.243 -16.830 -0.358 149 HE3 LYS 19 2HE LYS 19 7.546 -15.110 -0.104 150 HZ1 LYS 19 3HZ LYS 19 7.888 -15.590 2.266 151 HZ2 LYS 19 1HZ LYS 19 8.996 -16.417 1.282 152 HZ3 LYS 19 2HZ LYS 19 7.682 -17.246 1.957 153 H GLN 20 H GLN 20 0.508 -16.768 -0.589 154 HA GLN 20 HA GLN 20 1.518 -19.152 -1.818 155 HB2 GLN 20 1HB GLN 20 -1.182 -18.524 -0.609 156 HB3 GLN 20 2HB GLN 20 -0.669 -20.123 -1.130 157 HG2 GLN 20 1HG GLN 20 0.707 -18.496 0.998 158 HG3 GLN 20 2HG GLN 20 -0.483 -19.759 1.309 159 HE21 GLN 20 2HE2 GLN 20 2.321 -19.578 2.114 160 HE22 GLN 20 1HE2 GLN 20 3.094 -20.991 1.477 161 H VAL 21 H VAL 21 -0.071 -16.471 -3.033 162 HA VAL 21 HA VAL 21 -1.547 -17.975 -5.061 163 HB VAL 21 HB VAL 21 -1.570 -15.008 -4.493 164 HG11 VAL 21 1HG1 VAL 21 -2.138 -15.495 -6.806 165 HG12 VAL 21 2HG1 VAL 21 -3.567 -14.965 -5.919 166 HG13 VAL 21 3HG1 VAL 21 -3.338 -16.676 -6.281 167 HG21 VAL 21 3HG2 VAL 21 -2.511 -16.270 -2.643 168 HG22 VAL 21 1HG2 VAL 21 -3.558 -17.154 -3.754 169 HG23 VAL 21 2HG2 VAL 21 -3.786 -15.421 -3.519 170 H TRP 22 H TRP 22 0.831 -15.351 -4.833 171 HA TRP 22 HA TRP 22 1.270 -15.399 -7.698 172 HB2 TRP 22 1HB TRP 22 2.743 -13.833 -5.570 173 HB3 TRP 22 2HB TRP 22 2.844 -13.575 -7.307 174 HD1 TRP 22 HD1 TRP 22 -0.252 -13.561 -8.013 175 HE1 TRP 22 HE1 TRP 22 -1.715 -11.587 -7.243 176 HE3 TRP 22 HE3 TRP 22 2.678 -11.819 -4.200 177 HZ2 TRP 22 HZ2 TRP 22 -1.630 -9.556 -5.279 178 HZ3 TRP 22 HZ3 TRP 22 1.919 -9.851 -2.932 179 HH2 TRP 22 HH2 TRP 22 -0.191 -8.749 -3.457 180 H SER 23 H SER 23 3.300 -15.834 -8.690 181 HA SER 23 HA SER 23 4.783 -18.002 -7.676 182 HB2 SER 23 1HB SER 23 5.625 -15.962 -9.754 183 HB3 SER 23 2HB SER 23 6.320 -17.567 -9.533 184 HG SER 23 HG SER 23 4.327 -18.470 -10.119 185 H VAL 24 H VAL 24 6.713 -18.098 -6.568 186 HA VAL 24 HA VAL 24 7.190 -16.248 -4.596 187 HB VAL 24 HB VAL 24 8.036 -18.550 -4.531 188 HG11 VAL 24 1HG1 VAL 24 10.057 -17.568 -6.534 189 HG12 VAL 24 2HG1 VAL 24 8.839 -18.821 -6.776 190 HG13 VAL 24 3HG1 VAL 24 10.173 -19.093 -5.655 191 HG21 VAL 24 3HG2 VAL 24 8.952 -16.892 -2.995 192 HG22 VAL 24 1HG2 VAL 24 10.205 -16.489 -4.168 193 HG23 VAL 24 2HG2 VAL 24 10.164 -18.094 -3.436 194 H GLY 25 H GLY 25 8.705 -16.363 -7.799 195 HA2 GLY 25 1HA GLY 25 10.686 -14.417 -7.348 196 HA3 GLY 25 2HA GLY 25 9.999 -14.828 -8.913 197 H TYR 26 H TYR 26 7.507 -14.033 -8.913 198 HA TYR 26 HA TYR 26 7.681 -11.225 -9.096 199 HB2 TYR 26 1HB TYR 26 6.170 -12.551 -10.516 200 HB3 TYR 26 2HB TYR 26 5.212 -12.974 -9.101 201 HD1 TYR 26 HD2 TYR 26 6.436 -9.980 -10.968 202 HD2 TYR 26 HD1 TYR 26 3.353 -11.680 -8.577 203 HE1 TYR 26 HE2 TYR 26 5.077 -7.957 -11.293 204 HE2 TYR 26 HE1 TYR 26 1.987 -9.660 -8.893 205 HH TYR 26 HH TYR 26 2.236 -7.342 -9.463 206 H ALA 27 H ALA 27 6.330 -13.391 -6.667 207 HA ALA 27 HA ALA 27 4.964 -11.493 -5.129 208 HB1 ALA 27 3HB ALA 27 6.339 -14.005 -4.176 209 HB2 ALA 27 1HB ALA 27 4.703 -13.910 -4.826 210 HB3 ALA 27 2HB ALA 27 5.096 -13.106 -3.306 211 H THR 28 H THR 28 8.318 -12.657 -4.892 212 HA THR 28 HA THR 28 8.967 -11.049 -2.652 213 HB THR 28 HB THR 28 10.899 -12.171 -4.689 214 HG1 THR 28 HG1 THR 28 9.830 -13.940 -3.965 215 HG21 THR 28 3HG2 THR 28 12.450 -12.194 -2.774 216 HG22 THR 28 1HG2 THR 28 11.209 -11.440 -1.772 217 HG23 THR 28 2HG2 THR 28 11.891 -10.562 -3.142 218 H GLU 29 H GLU 29 9.393 -10.577 -6.156 219 HA GLU 29 HA GLU 29 10.780 -8.119 -5.897 220 HB2 GLU 29 1HB GLU 29 9.225 -9.294 -8.198 221 HB3 GLU 29 2HB GLU 29 10.120 -7.784 -8.307 222 HG2 GLU 29 1HG GLU 29 12.177 -8.998 -7.684 223 HG3 GLU 29 2HG GLU 29 11.259 -10.502 -7.699 224 H LEU 30 H LEU 30 7.359 -8.931 -6.180 225 HA LEU 30 HA LEU 30 6.351 -6.304 -6.342 226 HB2 LEU 30 1HB LEU 30 4.977 -8.282 -6.777 227 HB3 LEU 30 2HB LEU 30 5.139 -8.789 -5.108 228 HG LEU 30 HG LEU 30 3.882 -6.135 -5.674 229 HD11 LEU 30 1HD1 LEU 30 2.451 -8.775 -5.911 230 HD12 LEU 30 2HD1 LEU 30 2.812 -7.684 -7.248 231 HD13 LEU 30 3HD1 LEU 30 1.711 -7.175 -5.968 232 HD21 LEU 30 3HD2 LEU 30 3.370 -8.290 -3.623 233 HD22 LEU 30 1HD2 LEU 30 2.569 -6.720 -3.696 234 HD23 LEU 30 2HD2 LEU 30 4.298 -6.813 -3.362 235 H ALA 31 H ALA 31 7.104 -8.390 -3.588 236 HA ALA 31 HA ALA 31 6.345 -6.579 -1.567 237 HB1 ALA 31 3HB ALA 31 8.409 -8.777 -1.454 238 HB2 ALA 31 1HB ALA 31 6.683 -8.963 -1.144 239 HB3 ALA 31 2HB ALA 31 7.670 -7.975 -0.068 240 H LYS 32 H LYS 32 9.395 -7.113 -3.276 241 HA LYS 32 HA LYS 32 11.010 -5.427 -1.740 242 HB2 LYS 32 1HB LYS 32 11.902 -6.989 -3.417 243 HB3 LYS 32 2HB LYS 32 11.216 -6.004 -4.702 244 HG2 LYS 32 1HG LYS 32 12.658 -4.150 -4.078 245 HG3 LYS 32 2HG LYS 32 13.323 -5.100 -2.749 246 HD2 LYS 32 1HD LYS 32 14.166 -6.745 -4.371 247 HD3 LYS 32 2HD LYS 32 13.533 -5.752 -5.686 248 HE2 LYS 32 1HE LYS 32 15.595 -4.860 -3.673 249 HE3 LYS 32 2HE LYS 32 15.954 -5.427 -5.302 250 HZ1 LYS 32 3HZ LYS 32 14.759 -3.580 -6.219 251 HZ2 LYS 32 1HZ LYS 32 15.897 -2.989 -5.108 252 HZ3 LYS 32 2HZ LYS 32 14.261 -3.067 -4.685 253 H MET 33 H MET 33 9.182 -4.685 -4.720 254 HA MET 33 HA MET 33 9.841 -1.947 -4.795 255 HB2 MET 33 1HB MET 33 8.839 -3.134 -6.704 256 HB3 MET 33 2HB MET 33 7.338 -3.320 -5.806 257 HG2 MET 33 1HG MET 33 6.995 -0.931 -5.802 258 HG3 MET 33 2HG MET 33 8.552 -0.676 -6.585 259 HE1 MET 33 3HE MET 33 4.893 -2.044 -6.994 260 HE2 MET 33 1HE MET 33 5.844 -3.476 -7.389 261 HE3 MET 33 2HE MET 33 4.913 -2.660 -8.647 262 H PHE 34 H PHE 34 7.234 -3.704 -3.222 263 HA PHE 34 HA PHE 34 5.757 -1.470 -2.311 264 HB2 PHE 34 1HB PHE 34 4.998 -3.894 -2.440 265 HB3 PHE 34 2HB PHE 34 5.937 -4.181 -0.980 266 HD1 PHE 34 HD2 PHE 34 5.248 -3.187 1.155 267 HD2 PHE 34 HD1 PHE 34 2.912 -2.747 -2.373 268 HE1 PHE 34 HE2 PHE 34 3.321 -2.494 2.518 269 HE2 PHE 34 HE1 PHE 34 0.982 -2.054 -1.016 270 HZ PHE 34 HZ PHE 34 1.185 -1.927 1.434 271 H ASP 35 H ASP 35 8.231 -3.486 -0.735 272 HA ASP 35 HA ASP 35 8.140 -2.038 1.714 273 HB2 ASP 35 1HB ASP 35 8.849 -4.349 1.696 274 HB3 ASP 35 2HB ASP 35 10.185 -3.972 0.614 275 H ASP 36 H ASP 36 10.426 -2.022 -1.024 276 HA ASP 36 HA ASP 36 12.324 -0.392 0.251 277 HB2 ASP 36 1HB ASP 36 12.784 -1.791 -1.743 278 HB3 ASP 36 2HB ASP 36 11.861 -0.654 -2.722 279 H ASP 37 H ASP 37 9.510 0.465 -1.729 280 HA ASP 37 HA ASP 37 10.269 3.288 -1.459 281 HB2 ASP 37 1HB ASP 37 8.338 1.873 -3.273 282 HB3 ASP 37 2HB ASP 37 8.276 3.620 -3.056 283 H ILE 38 H ILE 38 7.507 1.145 -0.781 284 HA ILE 38 HA ILE 38 5.905 3.354 0.150 285 HB ILE 38 HB ILE 38 5.296 0.404 0.338 286 HG12 ILE 38 1HG1 ILE 38 4.754 2.382 -1.884 287 HG13 ILE 38 2HG1 ILE 38 5.777 0.959 -1.969 288 HG21 ILE 38 1HG2 ILE 38 2.954 1.143 0.384 289 HG22 ILE 38 2HG2 ILE 38 3.496 2.821 0.386 290 HG23 ILE 38 3HG2 ILE 38 3.876 1.771 1.752 291 HD11 ILE 38 3HD1 ILE 38 3.653 0.608 -3.092 292 HD12 ILE 38 1HD1 ILE 38 2.794 0.954 -1.591 293 HD13 ILE 38 2HD1 ILE 38 3.828 -0.469 -1.708 294 H LEU 39 H LEU 39 7.801 0.787 1.625 295 HA LEU 39 HA LEU 39 6.609 0.871 4.176 296 HB2 LEU 39 1HB LEU 39 8.308 -0.807 3.029 297 HB3 LEU 39 2HB LEU 39 9.486 0.158 3.890 298 HG LEU 39 HG LEU 39 8.745 -1.955 5.033 299 HD11 LEU 39 1HD1 LEU 39 8.621 -0.951 7.242 300 HD12 LEU 39 2HD1 LEU 39 8.291 0.622 6.515 301 HD13 LEU 39 3HD1 LEU 39 9.846 -0.167 6.244 302 HD21 LEU 39 3HD2 LEU 39 6.601 -1.874 6.236 303 HD22 LEU 39 1HD2 LEU 39 6.393 -1.895 4.485 304 HD23 LEU 39 2HD2 LEU 39 6.197 -0.387 5.378 305 HA PRO 40 HA PRO 40 10.170 3.963 5.440 306 HB2 PRO 40 1HB PRO 40 10.762 5.277 2.858 307 HB3 PRO 40 2HB PRO 40 11.863 4.762 4.140 308 HG2 PRO 40 1HG PRO 40 11.728 3.433 1.832 309 HG3 PRO 40 2HG PRO 40 11.947 2.578 3.371 310 HD2 PRO 40 1HD PRO 40 9.460 2.921 1.734 311 HD3 PRO 40 2HD PRO 40 10.067 1.476 2.571 312 H ILE 41 H ILE 41 7.563 4.383 3.278 313 HA ILE 41 HA ILE 41 7.262 7.226 3.871 314 HB ILE 41 HB ILE 41 5.540 5.422 2.162 315 HG12 ILE 41 1HG1 ILE 41 7.795 5.787 1.232 316 HG13 ILE 41 2HG1 ILE 41 6.555 6.569 0.259 317 HG21 ILE 41 1HG2 ILE 41 5.472 8.421 2.473 318 HG22 ILE 41 2HG2 ILE 41 4.269 7.291 3.093 319 HG23 ILE 41 3HG2 ILE 41 4.491 7.474 1.351 320 HD11 ILE 41 3HD1 ILE 41 8.523 7.975 0.497 321 HD12 ILE 41 1HD1 ILE 41 8.348 7.939 2.251 322 HD13 ILE 41 2HD1 ILE 41 7.116 8.720 1.258 323 H ILE 42 H ILE 42 5.245 4.274 4.177 324 HA ILE 42 HA ILE 42 3.918 5.585 6.467 325 HB ILE 42 HB ILE 42 1.787 4.589 5.805 326 HG12 ILE 42 1HG1 ILE 42 2.957 3.910 3.125 327 HG13 ILE 42 2HG1 ILE 42 3.045 2.751 4.449 328 HG21 ILE 42 1HG2 ILE 42 2.273 6.861 5.105 329 HG22 ILE 42 2HG2 ILE 42 1.313 6.030 3.880 330 HG23 ILE 42 3HG2 ILE 42 3.045 6.259 3.637 331 HD11 ILE 42 3HD1 ILE 42 1.131 2.327 3.031 332 HD12 ILE 42 1HD1 ILE 42 0.534 3.960 3.329 333 HD13 ILE 42 2HD1 ILE 42 0.629 2.799 4.656 334 H GLY 43 H GLY 43 5.882 3.138 5.768 335 HA2 GLY 43 1HA GLY 43 4.553 0.794 6.558 336 HA3 GLY 43 2HA GLY 43 6.291 1.047 6.611 337 H GLY 44 H GLY 44 6.269 3.214 8.458 338 HA2 GLY 44 1HA GLY 44 5.949 1.658 10.880 339 HA3 GLY 44 2HA GLY 44 6.716 3.233 10.745 340 H LEU 45 H LEU 45 3.740 3.305 9.175 341 HA LEU 45 HA LEU 45 2.635 4.781 11.454 342 HB2 LEU 45 1HB LEU 45 1.806 4.697 8.552 343 HB3 LEU 45 2HB LEU 45 1.037 5.679 9.784 344 HG LEU 45 HG LEU 45 3.925 5.952 8.950 345 HD11 LEU 45 1HD1 LEU 45 1.523 7.606 8.188 346 HD12 LEU 45 2HD1 LEU 45 2.464 6.566 7.115 347 HD13 LEU 45 3HD1 LEU 45 3.202 8.003 7.822 348 HD21 LEU 45 3HD2 LEU 45 3.795 8.072 10.180 349 HD22 LEU 45 1HD2 LEU 45 3.518 6.679 11.225 350 HD23 LEU 45 2HD2 LEU 45 2.156 7.663 10.689 351 H GLU 46 H GLU 46 0.618 4.346 12.318 352 HA GLU 46 HA GLU 46 -0.343 1.675 12.205 353 HB2 GLU 46 1HB GLU 46 -1.806 4.134 13.191 354 HB3 GLU 46 2HB GLU 46 -2.190 2.464 13.583 355 HG2 GLU 46 1HG GLU 46 -0.037 2.261 14.746 356 HG3 GLU 46 2HG GLU 46 0.296 3.957 14.387 357 H ILE 47 H ILE 47 -2.043 0.801 11.070 358 HA ILE 47 HA ILE 47 -2.598 1.966 8.564 359 HB ILE 47 HB ILE 47 -2.608 -0.506 9.150 360 HG12 ILE 47 1HG1 ILE 47 -5.037 0.439 7.628 361 HG13 ILE 47 2HG1 ILE 47 -3.400 0.547 6.990 362 HG21 ILE 47 1HG2 ILE 47 -4.754 -1.475 9.828 363 HG22 ILE 47 2HG2 ILE 47 -5.412 0.147 10.050 364 HG23 ILE 47 3HG2 ILE 47 -4.091 -0.418 11.073 365 HD11 ILE 47 3HD1 ILE 47 -3.190 -1.890 7.177 366 HD12 ILE 47 1HD1 ILE 47 -4.512 -1.401 6.115 367 HD13 ILE 47 2HD1 ILE 47 -4.857 -1.973 7.747 368 H GLN 48 H GLN 48 -4.111 2.354 11.616 369 HA GLN 48 HA GLN 48 -6.590 3.411 10.507 370 HB2 GLN 48 1HB GLN 48 -5.668 3.557 13.379 371 HB3 GLN 48 2HB GLN 48 -7.308 3.708 12.771 372 HG2 GLN 48 1HG GLN 48 -7.294 1.347 12.147 373 HG3 GLN 48 2HG GLN 48 -5.646 1.197 12.764 374 HE21 GLN 48 2HE2 GLN 48 -7.997 -0.226 13.636 375 HE22 GLN 48 1HE2 GLN 48 -8.217 0.157 15.318 376 H ASP 49 H ASP 49 -3.485 4.525 10.958 377 HA ASP 49 HA ASP 49 -4.364 7.257 11.646 378 HB2 ASP 49 1HB ASP 49 -3.021 5.732 13.354 379 HB3 ASP 49 2HB ASP 49 -1.645 6.274 12.401 380 H ILE 50 H ILE 50 -3.557 5.683 9.094 381 HA ILE 50 HA ILE 50 -1.208 7.109 8.207 382 HB ILE 50 HB ILE 50 -3.039 5.172 6.796 383 HG12 ILE 50 1HG1 ILE 50 -0.149 4.953 7.655 384 HG13 ILE 50 2HG1 ILE 50 -1.515 4.283 8.542 385 HG21 ILE 50 1HG2 ILE 50 -2.207 6.760 5.151 386 HG22 ILE 50 2HG2 ILE 50 -1.421 5.195 4.942 387 HG23 ILE 50 3HG2 ILE 50 -0.557 6.518 5.726 388 HD11 ILE 50 3HD1 ILE 50 -2.024 2.826 6.682 389 HD12 ILE 50 1HD1 ILE 50 -0.361 2.601 7.224 390 HD13 ILE 50 2HD1 ILE 50 -0.694 3.524 5.758 391 H GLU 51 H GLU 51 -1.195 8.996 7.277 392 HA GLU 51 HA GLU 51 -3.518 10.508 6.724 393 HB2 GLU 51 1HB GLU 51 -0.688 10.940 5.735 394 HB3 GLU 51 2HB GLU 51 -1.978 12.134 5.708 395 HG2 GLU 51 1HG GLU 51 -0.840 10.895 8.200 396 HG3 GLU 51 2HG GLU 51 -0.356 12.458 7.534 397 HA PRO 52 HA PRO 52 -4.539 8.993 2.603 398 HB2 PRO 52 1HB PRO 52 -5.628 11.764 2.438 399 HB3 PRO 52 2HB PRO 52 -6.396 10.227 2.020 400 HG2 PRO 52 1HG PRO 52 -7.059 11.482 4.264 401 HG3 PRO 52 2HG PRO 52 -6.881 9.716 4.238 402 HD2 PRO 52 1HD PRO 52 -5.019 11.796 5.311 403 HD3 PRO 52 2HD PRO 52 -5.407 10.187 5.956 404 H MET 53 H MET 53 -3.248 12.270 3.209 405 HA MET 53 HA MET 53 -2.069 12.486 0.611 406 HB2 MET 53 1HB MET 53 -1.615 14.039 3.158 407 HB3 MET 53 2HB MET 53 -0.798 14.407 1.646 408 HG2 MET 53 1HG MET 53 -2.969 14.792 0.577 409 HG3 MET 53 2HG MET 53 -3.771 14.450 2.110 410 HE1 MET 53 3HE MET 53 -1.683 15.828 4.149 411 HE2 MET 53 1HE MET 53 -3.436 15.937 4.299 412 HE3 MET 53 2HE MET 53 -2.454 17.402 4.350 413 H GLN 54 H GLN 54 -1.109 11.006 3.571 414 HA GLN 54 HA GLN 54 1.698 10.874 2.956 415 HB2 GLN 54 1HB GLN 54 0.469 10.617 5.267 416 HB3 GLN 54 2HB GLN 54 0.304 8.937 4.778 417 HG2 GLN 54 1HG GLN 54 2.231 9.171 6.171 418 HG3 GLN 54 2HG GLN 54 2.751 8.807 4.524 419 HE21 GLN 54 2HE2 GLN 54 4.781 9.679 4.911 420 HE22 GLN 54 1HE2 GLN 54 5.045 11.380 5.010 421 H LEU 55 H LEU 55 -1.106 8.740 2.717 422 HA LEU 55 HA LEU 55 0.202 6.617 1.387 423 HB2 LEU 55 1HB LEU 55 -2.071 6.512 2.440 424 HB3 LEU 55 2HB LEU 55 -2.683 7.478 1.111 425 HG LEU 55 HG LEU 55 -2.052 5.683 -0.467 426 HD11 LEU 55 1HD1 LEU 55 -0.209 4.712 0.792 427 HD12 LEU 55 2HD1 LEU 55 -1.418 3.486 0.410 428 HD13 LEU 55 3HD1 LEU 55 -1.330 4.163 2.037 429 HD21 LEU 55 3HD2 LEU 55 -3.803 4.115 0.177 430 HD22 LEU 55 1HD2 LEU 55 -4.314 5.779 0.472 431 HD23 LEU 55 2HD2 LEU 55 -3.794 4.761 1.818 432 H LEU 56 H LEU 56 -1.266 9.625 0.339 433 HA LEU 56 HA LEU 56 -0.989 9.238 -2.436 434 HB2 LEU 56 1HB LEU 56 -2.309 11.066 -1.274 435 HB3 LEU 56 2HB LEU 56 -0.788 11.877 -0.976 436 HG LEU 56 HG LEU 56 -2.186 12.690 -2.954 437 HD11 LEU 56 1HD1 LEU 56 0.671 11.901 -3.444 438 HD12 LEU 56 2HD1 LEU 56 0.110 13.378 -2.659 439 HD13 LEU 56 3HD1 LEU 56 -0.242 13.097 -4.364 440 HD21 LEU 56 3HD2 LEU 56 -1.920 11.470 -5.047 441 HD22 LEU 56 1HD2 LEU 56 -2.793 10.514 -3.850 442 HD23 LEU 56 2HD2 LEU 56 -1.096 10.168 -4.186 443 H GLU 57 H GLU 57 1.246 10.315 0.073 444 HA GLU 57 HA GLU 57 3.310 11.177 -1.627 445 HB2 GLU 57 1HB GLU 57 3.244 11.636 0.804 446 HB3 GLU 57 2HB GLU 57 3.582 9.939 1.119 447 HG2 GLU 57 1HG GLU 57 5.753 10.097 0.244 448 HG3 GLU 57 2HG GLU 57 5.419 11.649 -0.522 449 H VAL 58 H VAL 58 2.407 7.975 -0.469 450 HA VAL 58 HA VAL 58 4.538 6.512 -1.568 451 HB VAL 58 HB VAL 58 1.622 5.742 -1.316 452 HG11 VAL 58 1HG1 VAL 58 4.025 4.040 -1.953 453 HG12 VAL 58 2HG1 VAL 58 2.622 4.326 -2.982 454 HG13 VAL 58 3HG1 VAL 58 2.448 3.402 -1.489 455 HG21 VAL 58 3HG2 VAL 58 2.366 4.513 0.663 456 HG22 VAL 58 1HG2 VAL 58 2.709 6.237 0.811 457 HG23 VAL 58 2HG2 VAL 58 4.008 5.109 0.418 458 H ILE 59 H ILE 59 1.379 7.256 -3.014 459 HA ILE 59 HA ILE 59 1.905 6.277 -5.588 460 HB ILE 59 HB ILE 59 -0.041 8.280 -4.495 461 HG12 ILE 59 1HG1 ILE 59 -1.681 6.611 -5.402 462 HG13 ILE 59 2HG1 ILE 59 -0.317 5.592 -5.845 463 HG21 ILE 59 1HG2 ILE 59 0.179 7.586 -7.414 464 HG22 ILE 59 2HG2 ILE 59 0.590 9.144 -6.697 465 HG23 ILE 59 3HG2 ILE 59 -1.076 8.568 -6.662 466 HD11 ILE 59 3HD1 ILE 59 -1.054 6.445 -3.055 467 HD12 ILE 59 1HD1 ILE 59 0.316 5.424 -3.493 468 HD13 ILE 59 2HD1 ILE 59 -1.332 4.858 -3.770 469 H ARG 60 H ARG 60 2.377 9.450 -4.170 470 HA ARG 60 HA ARG 60 3.233 10.782 -6.512 471 HB2 ARG 60 1HB ARG 60 2.300 11.893 -4.514 472 HB3 ARG 60 2HB ARG 60 3.724 11.431 -3.600 473 HG2 ARG 60 1HG ARG 60 5.087 12.936 -4.729 474 HG3 ARG 60 2HG ARG 60 3.945 13.111 -6.064 475 HD2 ARG 60 1HD ARG 60 4.023 15.065 -4.502 476 HD3 ARG 60 2HD ARG 60 2.425 14.349 -4.704 477 HE ARG 60 HE ARG 60 2.404 13.892 -2.480 478 HH11 ARG 60 1HH1 ARG 60 5.768 14.266 -3.412 479 HH12 ARG 60 2HH1 ARG 60 6.339 14.273 -1.766 480 HH21 ARG 60 1HH2 ARG 60 3.168 13.936 -0.323 481 HH22 ARG 60 2HH2 ARG 60 4.876 14.064 -0.030 482 H ARG 61 H ARG 61 4.883 8.920 -4.044 483 HA ARG 61 HA ARG 61 7.549 9.400 -4.723 484 HB2 ARG 61 1HB ARG 61 7.043 8.098 -2.782 485 HB3 ARG 61 2HB ARG 61 6.125 6.932 -3.718 486 HG2 ARG 61 1HG ARG 61 8.204 5.952 -3.068 487 HG3 ARG 61 2HG ARG 61 8.225 6.221 -4.811 488 HD2 ARG 61 1HD ARG 61 9.592 8.179 -4.545 489 HD3 ARG 61 2HD ARG 61 9.460 8.081 -2.790 490 HE ARG 61 HE ARG 61 10.547 5.673 -3.769 491 HH11 ARG 61 1HH1 ARG 61 11.381 9.053 -3.441 492 HH12 ARG 61 2HH1 ARG 61 13.078 8.757 -3.225 493 HH21 ARG 61 1HH2 ARG 61 12.787 5.263 -3.482 494 HH22 ARG 61 2HH2 ARG 61 13.885 6.600 -3.258 495 H PHE 62 H PHE 62 5.149 7.220 -6.135 496 HA PHE 62 HA PHE 62 6.980 6.259 -8.133 497 HB2 PHE 62 1HB PHE 62 3.991 5.981 -7.837 498 HB3 PHE 62 2HB PHE 62 4.902 5.272 -9.167 499 HD1 PHE 62 HD2 PHE 62 6.615 3.531 -8.690 500 HD2 PHE 62 HD1 PHE 62 3.959 4.981 -5.701 501 HE1 PHE 62 HE2 PHE 62 7.118 1.565 -7.295 502 HE2 PHE 62 HE1 PHE 62 4.457 3.021 -4.302 503 HZ PHE 62 HZ PHE 62 6.036 1.311 -5.098 504 H GLU 63 H GLU 63 4.777 8.951 -7.877 505 HA GLU 63 HA GLU 63 4.597 9.576 -10.627 506 HB2 GLU 63 1HB GLU 63 4.442 11.343 -8.184 507 HB3 GLU 63 2HB GLU 63 4.219 11.954 -9.814 508 HG2 GLU 63 1HG GLU 63 2.343 10.314 -10.067 509 HG3 GLU 63 2HG GLU 63 2.504 9.978 -8.342 510 H ASP 64 H ASP 64 6.926 10.515 -8.123 511 HA ASP 64 HA ASP 64 8.541 12.215 -9.642 512 HB2 ASP 64 1HB ASP 64 9.219 10.343 -7.373 513 HB3 ASP 64 2HB ASP 64 10.416 11.403 -8.104 514 H ARG 65 H ARG 65 8.242 8.778 -9.623 515 HA ARG 65 HA ARG 65 10.639 8.296 -11.158 516 HB2 ARG 65 1HB ARG 65 8.352 6.440 -10.464 517 HB3 ARG 65 2HB ARG 65 9.910 5.958 -11.121 518 HG2 ARG 65 1HG ARG 65 11.041 6.578 -9.132 519 HG3 ARG 65 2HG ARG 65 9.606 7.381 -8.493 520 HD2 ARG 65 1HD ARG 65 9.898 5.248 -7.404 521 HD3 ARG 65 2HD ARG 65 8.456 5.209 -8.413 522 HE ARG 65 HE ARG 65 10.173 4.131 -10.092 523 HH11 ARG 65 1HH1 ARG 65 9.913 3.620 -6.640 524 HH12 ARG 65 2HH1 ARG 65 10.473 1.981 -6.702 525 HH21 ARG 65 1HH2 ARG 65 10.874 1.945 -10.189 526 HH22 ARG 65 2HH2 ARG 65 11.015 1.031 -8.718 527 H GLY 66 H GLY 66 7.185 8.603 -11.720 528 HA2 GLY 66 1HA GLY 66 6.279 9.222 -13.833 529 HA3 GLY 66 2HA GLY 66 7.685 8.508 -14.614 530 H ALA 67 H ALA 67 6.739 6.508 -12.188 531 HA ALA 67 HA ALA 67 5.642 4.582 -14.037 532 HB1 ALA 67 3HB ALA 67 7.291 3.900 -12.360 533 HB2 ALA 67 1HB ALA 67 5.767 3.034 -12.154 534 HB3 ALA 67 2HB ALA 67 6.175 4.371 -11.078 535 H MET 68 H MET 68 3.624 5.459 -14.573 536 HA MET 68 HA MET 68 1.776 6.358 -12.604 537 HB2 MET 68 1HB MET 68 1.836 7.008 -15.067 538 HB3 MET 68 2HB MET 68 1.086 5.453 -15.398 539 HG2 MET 68 1HG MET 68 -0.764 6.759 -15.302 540 HG3 MET 68 2HG MET 68 -0.652 6.285 -13.610 541 HE1 MET 68 3HE MET 68 0.307 7.873 -11.686 542 HE2 MET 68 1HE MET 68 0.894 9.514 -11.967 543 HE3 MET 68 2HE MET 68 1.806 8.133 -12.579 544 H GLU 69 H GLU 69 2.114 3.367 -14.471 545 HA GLU 69 HA GLU 69 -0.076 1.942 -13.538 546 HB2 GLU 69 1HB GLU 69 2.675 1.147 -14.388 547 HB3 GLU 69 2HB GLU 69 1.620 -0.062 -13.679 548 HG2 GLU 69 1HG GLU 69 -0.060 0.481 -15.429 549 HG3 GLU 69 2HG GLU 69 1.148 1.530 -16.179 550 H ARG 70 H ARG 70 3.178 2.081 -12.151 551 HA ARG 70 HA ARG 70 2.489 0.256 -10.066 552 HB2 ARG 70 1HB ARG 70 4.975 1.936 -10.434 553 HB3 ARG 70 2HB ARG 70 4.801 0.572 -9.329 554 HG2 ARG 70 1HG ARG 70 4.419 -0.926 -11.198 555 HG3 ARG 70 2HG ARG 70 4.519 0.425 -12.324 556 HD2 ARG 70 1HD ARG 70 6.854 0.795 -11.615 557 HD3 ARG 70 2HD ARG 70 6.734 -0.625 -10.570 558 HE ARG 70 HE ARG 70 6.056 -1.068 -13.353 559 HH11 ARG 70 1HH1 ARG 70 8.582 -1.155 -10.927 560 HH12 ARG 70 2HH1 ARG 70 9.573 -2.275 -11.811 561 HH21 ARG 70 1HH2 ARG 70 7.348 -2.536 -14.516 562 HH22 ARG 70 2HH2 ARG 70 8.872 -3.050 -13.868 563 H ALA 71 H ALA 71 2.191 3.618 -10.450 564 HA ALA 71 HA ALA 71 2.118 4.286 -7.668 565 HB1 ALA 71 3HB ALA 71 1.075 6.364 -8.402 566 HB2 ALA 71 1HB ALA 71 0.854 5.700 -10.020 567 HB3 ALA 71 2HB ALA 71 2.480 5.992 -9.398 568 H ASN 72 H ASN 72 -0.340 3.604 -10.151 569 HA ASN 72 HA ASN 72 -2.520 3.596 -8.326 570 HB2 ASN 72 1HB ASN 72 -2.211 2.491 -11.118 571 HB3 ASN 72 2HB ASN 72 -3.715 2.369 -10.211 572 HD21 ASN 72 2HD2 ASN 72 -3.180 3.759 -12.703 573 HD22 ASN 72 1HD2 ASN 72 -3.572 5.420 -12.418 574 H LYS 73 H LYS 73 -0.357 1.121 -9.565 575 HA LYS 73 HA LYS 73 -1.684 -1.083 -8.376 576 HB2 LYS 73 1HB LYS 73 1.155 -0.692 -9.315 577 HB3 LYS 73 2HB LYS 73 0.580 -2.215 -8.650 578 HG2 LYS 73 1HG LYS 73 -1.044 -2.427 -10.410 579 HG3 LYS 73 2HG LYS 73 -0.631 -0.832 -11.030 580 HD2 LYS 73 1HD LYS 73 1.602 -1.611 -11.604 581 HD3 LYS 73 2HD LYS 73 1.237 -3.201 -10.928 582 HE2 LYS 73 1HE LYS 73 -0.506 -3.532 -12.584 583 HE3 LYS 73 2HE LYS 73 -0.232 -1.916 -13.227 584 HZ1 LYS 73 3HZ LYS 73 1.875 -2.544 -14.046 585 HZ2 LYS 73 1HZ LYS 73 0.808 -3.772 -14.502 586 HZ3 LYS 73 2HZ LYS 73 1.863 -4.019 -13.201 587 H ALA 74 H ALA 74 0.539 1.309 -7.152 588 HA ALA 74 HA ALA 74 1.153 0.011 -4.705 589 HB1 ALA 74 3HB ALA 74 0.975 2.975 -5.270 590 HB2 ALA 74 1HB ALA 74 2.403 1.970 -5.524 591 HB3 ALA 74 2HB ALA 74 1.780 2.221 -3.894 592 H ARG 75 H ARG 75 -1.215 2.542 -5.509 593 HA ARG 75 HA ARG 75 -2.644 2.612 -3.141 594 HB2 ARG 75 1HB ARG 75 -2.961 4.172 -5.032 595 HB3 ARG 75 2HB ARG 75 -3.742 2.890 -5.945 596 HG2 ARG 75 1HG ARG 75 -5.451 2.774 -4.091 597 HG3 ARG 75 2HG ARG 75 -4.740 4.264 -3.468 598 HD2 ARG 75 1HD ARG 75 -5.154 5.314 -5.682 599 HD3 ARG 75 2HD ARG 75 -5.991 3.845 -6.178 600 HE ARG 75 HE ARG 75 -6.894 5.536 -3.936 601 HH11 ARG 75 1HH1 ARG 75 -7.569 3.516 -6.718 602 HH12 ARG 75 2HH1 ARG 75 -9.281 3.803 -6.664 603 HH21 ARG 75 1HH2 ARG 75 -9.164 5.899 -3.871 604 HH22 ARG 75 2HH2 ARG 75 -10.179 5.139 -5.067 605 H ARG 76 H ARG 76 -3.080 0.455 -5.920 606 HA ARG 76 HA ARG 76 -5.425 -0.818 -5.076 607 HB2 ARG 76 1HB ARG 76 -4.361 -0.947 -7.357 608 HB3 ARG 76 2HB ARG 76 -3.204 -2.087 -6.682 609 HG2 ARG 76 1HG ARG 76 -5.152 -3.529 -6.034 610 HG3 ARG 76 2HG ARG 76 -6.176 -2.438 -6.967 611 HD2 ARG 76 1HD ARG 76 -3.885 -4.108 -7.988 612 HD3 ARG 76 2HD ARG 76 -5.599 -4.331 -8.330 613 HE ARG 76 HE ARG 76 -4.911 -1.770 -9.166 614 HH11 ARG 76 1HH1 ARG 76 -4.194 -5.101 -9.992 615 HH12 ARG 76 2HH1 ARG 76 -3.817 -4.733 -11.651 616 HH21 ARG 76 1HH2 ARG 76 -4.366 -1.292 -11.358 617 HH22 ARG 76 2HH2 ARG 76 -3.896 -2.591 -12.412 618 H ARG 77 H ARG 77 -2.027 -1.761 -4.599 619 HA ARG 77 HA ARG 77 -2.582 -4.140 -3.185 620 HB2 ARG 77 1HB ARG 77 -0.142 -2.372 -3.276 621 HB3 ARG 77 2HB ARG 77 -0.195 -3.874 -2.363 622 HG2 ARG 77 1HG ARG 77 -0.541 -5.148 -4.354 623 HG3 ARG 77 2HG ARG 77 -0.725 -3.682 -5.318 624 HD2 ARG 77 1HD ARG 77 1.777 -4.470 -3.831 625 HD3 ARG 77 2HD ARG 77 1.504 -4.737 -5.553 626 HE ARG 77 HE ARG 77 1.080 -2.070 -5.234 627 HH11 ARG 77 1HH1 ARG 77 3.721 -4.235 -4.462 628 HH12 ARG 77 2HH1 ARG 77 4.944 -3.021 -4.620 629 HH21 ARG 77 1HH2 ARG 77 2.693 -0.454 -5.462 630 HH22 ARG 77 2HH2 ARG 77 4.355 -0.860 -5.197 631 H CYS 78 H CYS 78 -1.798 -0.853 -2.066 632 HA CYS 78 HA CYS 78 -1.930 -1.421 0.684 633 HB2 CYS 78 1HB CYS 78 -2.508 1.174 -0.762 634 HB3 CYS 78 2HB CYS 78 -2.251 1.017 0.973 635 HG CYS 78 HG CYS 78 0.340 0.978 0.950 636 H GLY 79 H GLY 79 -4.405 -0.582 -1.672 637 HA2 GLY 79 1HA GLY 79 -6.559 -0.173 0.082 638 HA3 GLY 79 2HA GLY 79 -6.691 -0.711 -1.587 639 H GLU 80 H GLU 80 -5.292 -3.143 -1.367 640 HA GLU 80 HA GLU 80 -7.298 -4.825 -0.253 641 HB2 GLU 80 1HB GLU 80 -5.943 -5.472 -2.218 642 HB3 GLU 80 2HB GLU 80 -4.516 -5.549 -1.195 643 HG2 GLU 80 1HG GLU 80 -5.441 -7.379 0.053 644 HG3 GLU 80 2HG GLU 80 -6.971 -7.248 -0.813 645 H VAL 81 H VAL 81 -4.099 -3.766 0.777 646 HA VAL 81 HA VAL 81 -3.874 -5.286 3.122 647 HB VAL 81 HB VAL 81 -2.863 -2.482 2.588 648 HG11 VAL 81 1HG1 VAL 81 -2.920 -2.948 4.979 649 HG12 VAL 81 2HG1 VAL 81 -1.259 -2.903 4.387 650 HG13 VAL 81 3HG1 VAL 81 -2.037 -4.452 4.719 651 HG21 VAL 81 3HG2 VAL 81 -0.731 -3.595 2.096 652 HG22 VAL 81 1HG2 VAL 81 -2.010 -4.108 0.994 653 HG23 VAL 81 2HG2 VAL 81 -1.507 -5.164 2.315 654 H PHE 82 H PHE 82 -5.375 -2.122 2.541 655 HA PHE 82 HA PHE 82 -6.271 -1.635 5.151 656 HB2 PHE 82 1HB PHE 82 -7.436 -0.809 2.488 657 HB3 PHE 82 2HB PHE 82 -8.046 -0.228 4.032 658 HD1 PHE 82 HD1 PHE 82 -5.600 0.273 5.533 659 HD2 PHE 82 HD2 PHE 82 -6.493 1.007 1.441 660 HE1 PHE 82 HE1 PHE 82 -3.946 2.094 5.503 661 HE2 PHE 82 HE2 PHE 82 -4.839 2.824 1.402 662 HZ PHE 82 HZ PHE 82 -3.562 3.371 3.435 663 H ARG 83 H ARG 83 -7.836 -3.305 2.441 664 HA ARG 83 HA ARG 83 -10.248 -3.922 3.745 665 HB2 ARG 83 1HB ARG 83 -9.957 -4.133 1.319 666 HB3 ARG 83 2HB ARG 83 -8.816 -5.448 1.561 667 HG2 ARG 83 1HG ARG 83 -10.598 -6.793 2.578 668 HG3 ARG 83 2HG ARG 83 -11.739 -5.478 2.287 669 HD2 ARG 83 1HD ARG 83 -10.195 -6.989 0.181 670 HD3 ARG 83 2HD ARG 83 -11.902 -7.207 0.564 671 HE ARG 83 HE ARG 83 -11.348 -4.503 -0.095 672 HH11 ARG 83 1HH1 ARG 83 -11.816 -7.670 -1.514 673 HH12 ARG 83 2HH1 ARG 83 -12.317 -7.041 -3.061 674 HH21 ARG 83 1HH2 ARG 83 -12.008 -3.668 -2.112 675 HH22 ARG 83 2HH2 ARG 83 -12.430 -4.766 -3.401 676 H TYR 84 H TYR 84 -7.185 -5.663 3.523 677 HA TYR 84 HA TYR 84 -7.826 -8.017 4.852 678 HB2 TYR 84 1HB TYR 84 -5.618 -7.219 3.713 679 HB3 TYR 84 2HB TYR 84 -5.214 -6.586 5.302 680 HD1 TYR 84 HD1 TYR 84 -5.001 -8.202 7.237 681 HD2 TYR 84 HD2 TYR 84 -5.391 -9.490 3.202 682 HE1 TYR 84 HE1 TYR 84 -4.100 -10.407 7.860 683 HE2 TYR 84 HE2 TYR 84 -4.501 -11.697 3.809 684 HH TYR 84 HH TYR 84 -4.168 -12.737 7.014 685 H ALA 85 H ALA 85 -6.910 -4.858 6.113 686 HA ALA 85 HA ALA 85 -6.941 -5.602 8.855 687 HB1 ALA 85 3HB ALA 85 -5.690 -3.665 8.050 688 HB2 ALA 85 1HB ALA 85 -6.841 -3.212 9.308 689 HB3 ALA 85 2HB ALA 85 -7.201 -2.866 7.616 690 H ILE 86 H ILE 86 -9.355 -4.218 6.663 691 HA ILE 86 HA ILE 86 -11.333 -3.685 8.590 692 HB ILE 86 HB ILE 86 -11.666 -4.442 5.680 693 HG12 ILE 86 1HG1 ILE 86 -11.682 -1.733 7.032 694 HG13 ILE 86 2HG1 ILE 86 -10.326 -2.395 6.127 695 HG21 ILE 86 1HG2 ILE 86 -13.649 -3.223 7.603 696 HG22 ILE 86 2HG2 ILE 86 -13.737 -4.831 6.883 697 HG23 ILE 86 3HG2 ILE 86 -13.892 -3.400 5.864 698 HD11 ILE 86 3HD1 ILE 86 -13.047 -1.772 5.010 699 HD12 ILE 86 1HD1 ILE 86 -11.677 -2.413 4.104 700 HD13 ILE 86 2HD1 ILE 86 -11.591 -0.797 4.806 701 H VAL 87 H VAL 87 -10.653 -6.593 6.681 702 HA VAL 87 HA VAL 87 -12.823 -8.129 7.653 703 HB VAL 87 HB VAL 87 -10.167 -9.118 6.599 704 HG11 VAL 87 1HG1 VAL 87 -12.840 -10.508 6.775 705 HG12 VAL 87 2HG1 VAL 87 -11.431 -10.849 7.779 706 HG13 VAL 87 3HG1 VAL 87 -11.376 -11.167 6.044 707 HG21 VAL 87 3HG2 VAL 87 -12.747 -8.564 5.144 708 HG22 VAL 87 1HG2 VAL 87 -11.297 -9.279 4.440 709 HG23 VAL 87 2HG2 VAL 87 -11.265 -7.616 5.029 710 H THR 88 H THR 88 -9.509 -7.690 8.780 711 HA THR 88 HA THR 88 -9.749 -9.715 10.809 712 HB THR 88 HB THR 88 -7.520 -8.749 11.583 713 HG1 THR 88 HG1 THR 88 -7.396 -7.457 9.091 714 HG21 THR 88 3HG2 THR 88 -7.748 -9.668 8.717 715 HG22 THR 88 1HG2 THR 88 -7.669 -10.718 10.133 716 HG23 THR 88 2HG2 THR 88 -6.286 -9.711 9.703 717 H GLY 89 H GLY 89 -10.759 -6.516 10.541 718 HA2 GLY 89 1HA GLY 89 -12.038 -5.366 12.132 719 HA3 GLY 89 2HA GLY 89 -11.454 -6.468 13.370 720 H ARG 90 H ARG 90 -9.013 -5.209 11.395 721 HA ARG 90 HA ARG 90 -7.977 -3.638 13.607 722 HB2 ARG 90 1HB ARG 90 -6.792 -4.321 10.912 723 HB3 ARG 90 2HB ARG 90 -5.959 -3.417 12.166 724 HG2 ARG 90 1HG ARG 90 -6.122 -5.371 13.653 725 HG3 ARG 90 2HG ARG 90 -6.897 -6.272 12.346 726 HD2 ARG 90 1HD ARG 90 -4.915 -5.984 10.957 727 HD3 ARG 90 2HD ARG 90 -4.146 -5.037 12.230 728 HE ARG 90 HE ARG 90 -4.782 -7.446 13.399 729 HH11 ARG 90 1HH1 ARG 90 -2.839 -6.380 10.696 730 HH12 ARG 90 2HH1 ARG 90 -1.705 -7.696 10.815 731 HH21 ARG 90 1HH2 ARG 90 -3.306 -9.207 13.533 732 HH22 ARG 90 2HH2 ARG 90 -1.994 -9.315 12.393 733 H ALA 91 H ALA 91 -9.765 -3.108 10.756 734 HA ALA 91 HA ALA 91 -9.441 -0.222 11.100 735 HB1 ALA 91 3HB ALA 91 -7.863 -0.814 9.332 736 HB2 ALA 91 1HB ALA 91 -9.192 0.160 8.703 737 HB3 ALA 91 2HB ALA 91 -9.164 -1.581 8.420 738 H LYS 92 H LYS 92 -11.143 1.023 10.064 739 HA LYS 92 HA LYS 92 -13.610 -0.552 9.684 740 HB2 LYS 92 1HB LYS 92 -13.306 2.207 10.884 741 HB3 LYS 92 2HB LYS 92 -14.836 1.393 10.597 742 HG2 LYS 92 1HG LYS 92 -14.221 -0.353 12.181 743 HG3 LYS 92 2HG LYS 92 -12.666 0.436 12.452 744 HD2 LYS 92 1HD LYS 92 -13.804 2.410 13.314 745 HD3 LYS 92 2HD LYS 92 -15.368 1.653 13.009 746 HE2 LYS 92 1HE LYS 92 -13.251 0.647 14.905 747 HE3 LYS 92 2HE LYS 92 -14.733 1.481 15.365 748 HZ1 LYS 92 3HZ LYS 92 -15.048 -0.854 15.642 749 HZ2 LYS 92 1HZ LYS 92 -14.517 -1.182 14.065 750 HZ3 LYS 92 2HZ LYS 92 -15.980 -0.362 14.310 751 H TYR 93 H TYR 93 -11.769 2.296 8.743 752 HA TYR 93 HA TYR 93 -13.233 2.317 6.194 753 HB2 TYR 93 1HB TYR 93 -13.993 4.256 7.428 754 HB3 TYR 93 2HB TYR 93 -12.340 4.705 7.833 755 HD1 TYR 93 HD2 TYR 93 -14.716 4.381 4.985 756 HD2 TYR 93 HD1 TYR 93 -11.094 6.103 6.413 757 HE1 TYR 93 HE2 TYR 93 -14.608 5.809 2.982 758 HE2 TYR 93 HE1 TYR 93 -10.980 7.535 4.418 759 HH TYR 93 HH TYR 93 -13.578 7.994 2.321 760 H ASN 94 H ASN 94 -11.988 2.400 4.404 761 HA ASN 94 HA ASN 94 -9.089 2.533 4.801 762 HB2 ASN 94 1HB ASN 94 -8.933 1.576 2.517 763 HB3 ASN 94 2HB ASN 94 -9.823 0.539 3.623 764 HD21 ASN 94 2HD2 ASN 94 -9.835 0.655 0.711 765 HD22 ASN 94 1HD2 ASN 94 -11.480 0.913 0.253 766 HA PRO 95 HA PRO 95 -9.299 6.704 3.289 767 HB2 PRO 95 1HB PRO 95 -6.379 6.496 3.032 768 HB3 PRO 95 2HB PRO 95 -7.341 7.548 4.073 769 HG2 PRO 95 1HG PRO 95 -5.919 5.499 5.066 770 HG3 PRO 95 2HG PRO 95 -7.481 5.974 5.757 771 HD2 PRO 95 1HD PRO 95 -6.844 3.717 3.889 772 HD3 PRO 95 2HD PRO 95 -7.901 3.732 5.318 773 H ALA 96 H ALA 96 -9.380 4.363 1.371 774 HA ALA 96 HA ALA 96 -7.669 4.973 -0.819 775 HB1 ALA 96 3HB ALA 96 -8.951 3.326 -2.052 776 HB2 ALA 96 1HB ALA 96 -10.188 3.319 -0.796 777 HB3 ALA 96 2HB ALA 96 -8.567 2.725 -0.439 778 HA PRO 97 HA PRO 97 -11.707 7.007 -2.726 779 HB2 PRO 97 1HB PRO 97 -13.049 7.844 -0.215 780 HB3 PRO 97 2HB PRO 97 -13.750 7.255 -1.726 781 HG2 PRO 97 1HG PRO 97 -13.679 5.698 0.424 782 HG3 PRO 97 2HG PRO 97 -13.365 5.030 -1.190 783 HD2 PRO 97 1HD PRO 97 -11.422 5.751 0.974 784 HD3 PRO 97 2HD PRO 97 -11.432 4.341 -0.106 785 H ASP 98 H ASP 98 -10.695 8.229 0.483 786 HA ASP 98 HA ASP 98 -10.663 10.946 -0.380 787 HB2 ASP 98 1HB ASP 98 -10.916 10.168 2.020 788 HB3 ASP 98 2HB ASP 98 -9.184 9.842 2.011 789 H LEU 99 H LEU 99 -8.394 8.345 -0.522 790 HA LEU 99 HA LEU 99 -6.035 9.799 -1.008 791 HB2 LEU 99 1HB LEU 99 -6.169 7.337 -0.609 792 HB3 LEU 99 2HB LEU 99 -6.872 7.144 -2.198 793 HG LEU 99 HG LEU 99 -4.387 6.598 -1.901 794 HD11 LEU 99 1HD1 LEU 99 -5.210 8.515 -4.073 795 HD12 LEU 99 2HD1 LEU 99 -5.439 6.766 -4.085 796 HD13 LEU 99 3HD1 LEU 99 -3.810 7.442 -4.115 797 HD21 LEU 99 3HD2 LEU 99 -3.782 8.570 -0.618 798 HD22 LEU 99 1HD2 LEU 99 -4.212 9.601 -1.982 799 HD23 LEU 99 2HD2 LEU 99 -2.856 8.481 -2.117 800 H ALA 100 H ALA 100 -8.715 8.835 -3.070 801 HA ALA 100 HA ALA 100 -7.600 9.775 -5.506 802 HB1 ALA 100 3HB ALA 100 -9.438 8.166 -5.462 803 HB2 ALA 100 1HB ALA 100 -9.872 9.601 -6.391 804 HB3 ALA 100 2HB ALA 100 -10.497 9.387 -4.757 805 H ASP 101 H ASP 101 -9.653 11.223 -3.016 806 HA ASP 101 HA ASP 101 -10.009 13.712 -4.310 807 HB2 ASP 101 1HB ASP 101 -10.238 12.807 -1.463 808 HB3 ASP 101 2HB ASP 101 -10.283 14.526 -1.833 809 H ALA 102 H ALA 102 -7.525 12.474 -2.149 810 HA ALA 102 HA ALA 102 -6.056 14.876 -1.910 811 HB1 ALA 102 3HB ALA 102 -5.056 12.032 -1.752 812 HB2 ALA 102 1HB ALA 102 -5.729 12.962 -0.413 813 HB3 ALA 102 2HB ALA 102 -4.213 13.465 -1.162 814 H MET 103 H MET 103 -5.772 12.125 -4.134 815 HA MET 103 HA MET 103 -3.607 13.057 -5.643 816 HB2 MET 103 1HB MET 103 -4.530 10.758 -5.736 817 HB3 MET 103 2HB MET 103 -5.943 11.376 -6.580 818 HG2 MET 103 1HG MET 103 -4.458 12.144 -8.403 819 HG3 MET 103 2HG MET 103 -3.102 11.391 -7.567 820 HE1 MET 103 3HE MET 103 -4.301 8.758 -6.404 821 HE2 MET 103 1HE MET 103 -2.776 8.806 -7.286 822 HE3 MET 103 2HE MET 103 -4.001 7.610 -7.708 823 H LYS 104 H LYS 104 -6.913 14.036 -5.604 824 HA LYS 104 HA LYS 104 -6.719 15.435 -8.140 825 HB2 LYS 104 1HB LYS 104 -8.802 14.275 -7.539 826 HB3 LYS 104 2HB LYS 104 -8.963 15.301 -6.120 827 HG2 LYS 104 1HG LYS 104 -9.239 17.250 -7.532 828 HG3 LYS 104 2HG LYS 104 -9.002 16.263 -8.975 829 HD2 LYS 104 1HD LYS 104 -10.999 14.963 -8.413 830 HD3 LYS 104 2HD LYS 104 -11.234 15.950 -6.969 831 HE2 LYS 104 1HE LYS 104 -12.683 16.650 -8.828 832 HE3 LYS 104 2HE LYS 104 -11.569 17.921 -8.331 833 HZ1 LYS 104 3HZ LYS 104 -11.823 17.581 -10.788 834 HZ2 LYS 104 1HZ LYS 104 -11.016 16.102 -10.603 835 HZ3 LYS 104 2HZ LYS 104 -10.228 17.557 -10.214 836 H GLY 105 H GLY 105 -7.392 16.277 -4.760 837 HA2 GLY 105 1HA GLY 105 -7.306 19.099 -5.336 838 HA3 GLY 105 2HA GLY 105 -7.571 18.361 -3.767 839 H TYR 106 H TYR 106 -5.114 16.802 -3.768 840 HA TYR 106 HA TYR 106 -3.417 18.892 -2.771 841 HB2 TYR 106 1HB TYR 106 -3.524 16.739 -1.604 842 HB3 TYR 106 2HB TYR 106 -2.887 15.921 -3.026 843 HD1 TYR 106 HD1 TYR 106 -2.018 18.577 -0.558 844 HD2 TYR 106 HD2 TYR 106 -0.591 15.592 -3.233 845 HE1 TYR 106 HE1 TYR 106 0.268 18.938 0.268 846 HE2 TYR 106 HE2 TYR 106 1.700 15.945 -2.414 847 HH TYR 106 HH TYR 106 2.387 17.760 0.404 848 H ARG 107 H ARG 107 -3.558 16.941 -5.683 849 HA ARG 107 HA ARG 107 -0.947 17.796 -6.556 850 HB2 ARG 107 1HB ARG 107 -3.148 16.424 -8.102 851 HB3 ARG 107 2HB ARG 107 -1.534 16.743 -8.720 852 HG2 ARG 107 1HG ARG 107 -0.733 15.388 -6.670 853 HG3 ARG 107 2HG ARG 107 -2.400 14.811 -6.604 854 HD2 ARG 107 1HD ARG 107 -0.379 14.461 -8.803 855 HD3 ARG 107 2HD ARG 107 -1.232 13.219 -7.889 856 HE ARG 107 HE ARG 107 -3.263 14.441 -9.107 857 HH11 ARG 107 1HH1 ARG 107 -0.206 13.209 -10.316 858 HH12 ARG 107 2HH1 ARG 107 -0.782 13.050 -11.948 859 HH21 ARG 107 1HH2 ARG 107 -4.023 14.195 -11.276 860 HH22 ARG 107 2HH2 ARG 107 -2.924 13.623 -12.499 861 H LYS 108 H LYS 108 -3.802 19.373 -6.249 862 HA LYS 108 HA LYS 108 -3.675 21.057 -8.571 863 HB2 LYS 108 1HB LYS 108 -5.756 20.732 -7.265 864 HB3 LYS 108 2HB LYS 108 -5.004 21.519 -5.888 865 HG2 LYS 108 1HG LYS 108 -4.901 23.610 -7.070 866 HG3 LYS 108 2HG LYS 108 -5.493 22.844 -8.546 867 HD2 LYS 108 1HD LYS 108 -7.278 24.061 -7.411 868 HD3 LYS 108 2HD LYS 108 -7.610 22.330 -7.433 869 HE2 LYS 108 1HE LYS 108 -8.161 23.219 -5.264 870 HE3 LYS 108 2HE LYS 108 -6.748 22.173 -5.123 871 HZ1 LYS 108 3HZ LYS 108 -6.572 24.267 -3.857 872 HZ2 LYS 108 1HZ LYS 108 -6.630 25.137 -5.313 873 HZ3 LYS 108 2HZ LYS 108 -5.333 24.085 -4.999 874 H LYS 109 H LYS 109 -1.809 20.639 -5.876 875 HA LYS 109 HA LYS 109 -0.799 23.277 -5.463 876 HB2 LYS 109 1HB LYS 109 -0.661 21.363 -3.846 877 HB3 LYS 109 2HB LYS 109 0.492 20.592 -4.919 878 HG2 LYS 109 1HG LYS 109 2.001 22.537 -4.597 879 HG3 LYS 109 2HG LYS 109 0.859 23.156 -3.398 880 HD2 LYS 109 1HD LYS 109 1.084 20.951 -2.207 881 HD3 LYS 109 2HD LYS 109 2.408 20.572 -3.309 882 HE2 LYS 109 1HE LYS 109 3.289 21.425 -1.231 883 HE3 LYS 109 2HE LYS 109 3.598 22.576 -2.532 884 HZ1 LYS 109 3HZ LYS 109 1.194 22.870 -0.858 885 HZ2 LYS 109 1HZ LYS 109 2.057 24.055 -1.715 886 HZ3 LYS 109 2HZ LYS 109 2.691 23.408 -0.281 887 H ASN 110 H ASN 110 -0.364 20.805 -7.790 888 HA ASN 110 HA ASN 110 2.037 22.118 -8.876 889 HB2 ASN 110 1HB ASN 110 2.236 19.679 -8.248 890 HB3 ASN 110 2HB ASN 110 1.028 19.323 -9.475 891 HD21 ASN 110 2HD2 ASN 110 3.732 18.361 -9.297 892 HD22 ASN 110 1HD2 ASN 110 4.546 18.883 -10.737 893 H LEU 111 H LEU 111 1.250 23.631 -10.228 894 HA LEU 111 HA LEU 111 -1.054 23.023 -11.913 895 HB2 LEU 111 1HB LEU 111 0.504 25.583 -11.525 896 HB3 LEU 111 2HB LEU 111 -0.923 25.421 -12.531 897 HG LEU 111 HG LEU 111 -0.844 25.025 -9.538 898 HD11 LEU 111 1HD1 LEU 111 -0.543 27.352 -10.126 899 HD12 LEU 111 2HD1 LEU 111 -2.165 27.101 -9.479 900 HD13 LEU 111 3HD1 LEU 111 -1.926 27.282 -11.218 901 HD21 LEU 111 3HD2 LEU 111 -3.293 24.961 -9.725 902 HD22 LEU 111 1HD2 LEU 111 -2.528 23.625 -10.586 903 HD23 LEU 111 2HD2 LEU 111 -3.150 25.010 -11.482 904 H GLU 112 H GLU 112 -0.966 23.684 -14.216 905 HA GLU 112 HA GLU 112 1.248 22.458 -15.517 906 HB2 GLU 112 1HB GLU 112 -1.022 24.079 -16.680 907 HB3 GLU 112 2HB GLU 112 0.100 23.089 -17.603 908 HG2 GLU 112 1HG GLU 112 -0.707 21.116 -16.290 909 HG3 GLU 112 2HG GLU 112 -1.957 22.163 -15.618 910 H HIS 113 H HIS 113 2.283 23.627 -17.446 911 HA HIS 113 HA HIS 113 3.574 25.990 -16.341 912 HB2 HIS 113 1HB HIS 113 4.192 24.488 -18.898 913 HB3 HIS 113 2HB HIS 113 5.214 25.692 -18.119 914 HD1 HIS 113 HD1 HIS 113 6.283 24.962 -15.775 915 HD2 HIS 113 HD2 HIS 113 4.494 21.924 -17.983 916 HE1 HIS 113 HE1 HIS 113 7.107 22.813 -14.769 917 HE2 HIS 113 HE2 HIS 113 5.849 20.998 -15.982 918 H HIS 114 H HIS 114 2.457 25.181 -19.632 919 HA HIS 114 HA HIS 114 1.427 27.901 -19.905 920 HB2 HIS 114 1HB HIS 114 1.749 25.632 -21.876 921 HB3 HIS 114 2HB HIS 114 0.844 27.091 -22.263 922 HD1 HIS 114 HD1 HIS 114 3.873 25.796 -23.127 923 HD2 HIS 114 HD2 HIS 114 2.834 29.408 -21.353 924 HE1 HIS 114 HE1 HIS 114 5.784 27.355 -23.600 925 HE2 HIS 114 HE2 HIS 114 5.213 29.475 -22.370 926 H HIS 115 H HIS 115 -0.582 28.297 -19.292 927 HA HIS 115 HA HIS 115 -2.318 26.244 -18.406 928 HB2 HIS 115 1HB HIS 115 -2.288 28.588 -17.513 929 HB3 HIS 115 2HB HIS 115 -3.046 29.117 -19.011 930 HD1 HIS 115 HD1 HIS 115 -3.737 27.102 -15.909 931 HD2 HIS 115 HD2 HIS 115 -5.782 28.691 -19.168 932 HE1 HIS 115 HE1 HIS 115 -6.187 26.807 -15.389 933 HE2 HIS 115 HE2 HIS 115 -7.406 27.695 -17.414 934 H HIS 116 H HIS 116 -2.067 28.092 -21.366 935 HA HIS 116 HA HIS 116 -4.404 26.742 -22.481 936 HB2 HIS 116 1HB HIS 116 -3.630 29.239 -22.886 937 HB3 HIS 116 2HB HIS 116 -2.598 28.493 -24.103 938 HD1 HIS 116 HD1 HIS 116 -3.638 28.484 -26.337 939 HD2 HIS 116 HD2 HIS 116 -6.474 28.225 -23.304 940 HE1 HIS 116 HE1 HIS 116 -5.876 28.420 -27.494 941 HE2 HIS 116 HE2 HIS 116 -7.578 28.278 -25.640 942 H HIS 117 H HIS 117 -4.265 25.117 -24.011 943 HA HIS 117 HA HIS 117 -1.662 23.799 -23.985 944 HB2 HIS 117 1HB HIS 117 -4.431 22.785 -24.619 945 HB3 HIS 117 2HB HIS 117 -2.977 21.809 -24.814 946 HD1 HIS 117 HD1 HIS 117 -5.386 23.005 -22.287 947 HD2 HIS 117 HD2 HIS 117 -1.638 21.204 -22.344 948 HE1 HIS 117 HE1 HIS 117 -5.016 22.141 -19.957 949 HE2 HIS 117 HE2 HIS 117 -2.658 21.246 -19.959 950 H HIS 118 H HIS 118 -0.418 24.550 -25.526 951 HA HIS 118 HA HIS 118 -0.862 23.621 -28.175 952 HB2 HIS 118 1HB HIS 118 -2.171 25.753 -28.251 953 HB3 HIS 118 2HB HIS 118 -0.698 26.627 -27.841 954 HD1 HIS 118 HD1 HIS 118 -2.255 24.615 -30.618 955 HD2 HIS 118 HD2 HIS 118 1.032 27.084 -29.964 956 HE1 HIS 118 HE1 HIS 118 -1.262 25.046 -32.893 957 HE2 HIS 118 HE2 HIS 118 0.787 26.461 -32.467 Start of MODEL 18 1 H1 SER 1 1H SER 1 0.799 -5.527 23.810 2 H2 SER 1 2H SER 1 0.150 -4.642 22.521 3 H3 SER 1 3H SER 1 0.412 -3.890 24.016 4 HA SER 1 HA SER 1 2.100 -3.242 22.468 5 HB2 SER 1 1HB SER 1 4.091 -4.107 23.812 6 HB3 SER 1 2HB SER 1 2.827 -3.280 24.721 7 HG SER 1 HG SER 1 3.295 -5.135 25.828 8 H SER 2 H SER 2 1.824 -6.758 22.822 9 HA SER 2 HA SER 2 3.900 -7.264 20.894 10 HB2 SER 2 1HB SER 2 1.864 -9.138 22.119 11 HB3 SER 2 2HB SER 2 3.280 -9.624 21.181 12 HG SER 2 HG SER 2 4.474 -8.319 22.856 13 H ASN 3 H ASN 3 0.485 -6.748 20.807 14 HA ASN 3 HA ASN 3 0.386 -7.572 17.997 15 HB2 ASN 3 1HB ASN 3 -1.504 -8.337 19.309 16 HB3 ASN 3 2HB ASN 3 -1.801 -6.708 19.906 17 HD21 ASN 3 2HD2 ASN 3 -3.900 -6.692 19.141 18 HD22 ASN 3 1HD2 ASN 3 -4.277 -6.556 17.455 19 H ASN 4 H ASN 4 1.401 -6.028 16.864 20 HA ASN 4 HA ASN 4 0.749 -3.222 17.405 21 HB2 ASN 4 1HB ASN 4 3.127 -3.712 17.427 22 HB3 ASN 4 2HB ASN 4 3.021 -4.475 15.845 23 HD21 ASN 4 2HD2 ASN 4 4.666 -3.035 15.154 24 HD22 ASN 4 1HD2 ASN 4 4.276 -1.400 14.726 25 H ASN 5 H ASN 5 -0.462 -2.083 16.042 26 HA ASN 5 HA ASN 5 -1.587 -3.495 13.752 27 HB2 ASN 5 1HB ASN 5 -2.406 -0.958 15.172 28 HB3 ASN 5 2HB ASN 5 -3.233 -1.589 13.754 29 HD21 ASN 5 2HD2 ASN 5 -2.881 -4.377 14.588 30 HD22 ASN 5 1HD2 ASN 5 -4.007 -4.631 15.874 31 H SER 6 H SER 6 1.131 -2.152 13.773 32 HA SER 6 HA SER 6 1.025 0.059 12.025 33 HB2 SER 6 1HB SER 6 3.222 -1.958 12.507 34 HB3 SER 6 2HB SER 6 3.416 -0.504 11.525 35 HG SER 6 HG SER 6 2.412 -0.262 14.138 36 H PHE 7 H PHE 7 1.424 0.189 9.802 37 HA PHE 7 HA PHE 7 -0.078 -1.558 8.232 38 HB2 PHE 7 1HB PHE 7 0.597 0.861 7.752 39 HB3 PHE 7 2HB PHE 7 2.130 0.213 7.183 40 HD1 PHE 7 HD2 PHE 7 -1.465 0.451 6.533 41 HD2 PHE 7 HD1 PHE 7 2.281 -0.950 5.081 42 HE1 PHE 7 HE2 PHE 7 -2.464 0.107 4.311 43 HE2 PHE 7 HE1 PHE 7 1.288 -1.299 2.856 44 HZ PHE 7 HZ PHE 7 -1.086 -0.775 2.470 45 H SER 8 H SER 8 3.404 -1.404 8.814 46 HA SER 8 HA SER 8 4.247 -3.265 6.911 47 HB2 SER 8 1HB SER 8 6.211 -3.561 8.498 48 HB3 SER 8 2HB SER 8 5.875 -1.904 7.990 49 HG SER 8 HG SER 8 6.171 -2.597 10.402 50 H ALA 9 H ALA 9 3.134 -3.731 10.235 51 HA ALA 9 HA ALA 9 3.761 -6.456 10.475 52 HB1 ALA 9 3HB ALA 9 2.191 -6.476 12.344 53 HB2 ALA 9 1HB ALA 9 1.544 -4.917 11.826 54 HB3 ALA 9 2HB ALA 9 3.210 -5.038 12.392 55 H ILE 10 H ILE 10 0.727 -4.849 9.541 56 HA ILE 10 HA ILE 10 -0.671 -7.259 8.988 57 HB ILE 10 HB ILE 10 -1.204 -4.467 7.952 58 HG12 ILE 10 1HG1 ILE 10 -2.342 -5.944 10.336 59 HG13 ILE 10 2HG1 ILE 10 -1.184 -4.621 10.410 60 HG21 ILE 10 1HG2 ILE 10 -3.031 -6.863 8.094 61 HG22 ILE 10 2HG2 ILE 10 -2.317 -6.199 6.623 62 HG23 ILE 10 3HG2 ILE 10 -3.478 -5.244 7.549 63 HD11 ILE 10 3HD1 ILE 10 -3.421 -3.854 10.925 64 HD12 ILE 10 1HD1 ILE 10 -4.001 -4.454 9.372 65 HD13 ILE 10 2HD1 ILE 10 -2.845 -3.124 9.426 66 H TYR 11 H TYR 11 1.201 -4.999 7.034 67 HA TYR 11 HA TYR 11 0.760 -6.070 4.506 68 HB2 TYR 11 1HB TYR 11 1.908 -4.062 4.450 69 HB3 TYR 11 2HB TYR 11 2.992 -4.521 5.757 70 HD1 TYR 11 HD2 TYR 11 2.194 -5.619 2.259 71 HD2 TYR 11 HD1 TYR 11 5.178 -4.907 5.207 72 HE1 TYR 11 HE2 TYR 11 3.940 -6.218 0.633 73 HE2 TYR 11 HE1 TYR 11 6.930 -5.504 3.591 74 HH TYR 11 HH TYR 11 7.230 -6.691 1.572 75 H LYS 12 H LYS 12 3.227 -7.001 6.917 76 HA LYS 12 HA LYS 12 4.496 -8.877 5.244 77 HB2 LYS 12 1HB LYS 12 5.486 -7.984 7.353 78 HB3 LYS 12 2HB LYS 12 4.357 -8.985 8.261 79 HG2 LYS 12 1HG LYS 12 5.313 -10.981 7.109 80 HG3 LYS 12 2HG LYS 12 6.534 -9.920 6.406 81 HD2 LYS 12 1HD LYS 12 7.286 -9.306 8.654 82 HD3 LYS 12 2HD LYS 12 6.070 -10.382 9.350 83 HE2 LYS 12 1HE LYS 12 7.132 -12.262 8.084 84 HE3 LYS 12 2HE LYS 12 8.420 -11.150 7.623 85 HZ1 LYS 12 3HZ LYS 12 9.074 -12.436 9.539 86 HZ2 LYS 12 1HZ LYS 12 7.691 -11.946 10.393 87 HZ3 LYS 12 2HZ LYS 12 8.886 -10.810 9.996 88 H GLU 13 H GLU 13 1.846 -9.224 7.576 89 HA GLU 13 HA GLU 13 1.588 -12.032 7.301 90 HB2 GLU 13 1HB GLU 13 0.586 -10.699 9.153 91 HB3 GLU 13 2HB GLU 13 -0.570 -10.032 8.006 92 HG2 GLU 13 1HG GLU 13 -1.484 -12.235 7.601 93 HG3 GLU 13 2HG GLU 13 -0.283 -12.952 8.675 94 H TRP 14 H TRP 14 -0.020 -9.309 5.729 95 HA TRP 14 HA TRP 14 -1.711 -10.733 4.026 96 HB2 TRP 14 1HB TRP 14 -2.001 -8.370 4.321 97 HB3 TRP 14 2HB TRP 14 -0.373 -8.036 3.746 98 HD1 TRP 14 HD1 TRP 14 -3.777 -9.279 2.387 99 HE1 TRP 14 HE1 TRP 14 -3.915 -8.639 -0.101 100 HE3 TRP 14 HE3 TRP 14 0.927 -7.360 1.791 101 HZ2 TRP 14 HZ2 TRP 14 -2.233 -7.480 -2.058 102 HZ3 TRP 14 HZ3 TRP 14 1.576 -6.496 -0.419 103 HH2 TRP 14 HH2 TRP 14 0.029 -6.562 -2.300 104 H TYR 15 H TYR 15 1.596 -9.551 3.508 105 HA TYR 15 HA TYR 15 1.955 -10.544 0.912 106 HB2 TYR 15 1HB TYR 15 3.542 -8.977 1.657 107 HB3 TYR 15 2HB TYR 15 3.862 -9.868 3.140 108 HD1 TYR 15 HD1 TYR 15 4.087 -10.418 -0.563 109 HD2 TYR 15 HD2 TYR 15 5.864 -10.987 3.261 110 HE1 TYR 15 HE1 TYR 15 6.016 -11.510 -1.626 111 HE2 TYR 15 HE2 TYR 15 7.800 -12.077 2.212 112 HH TYR 15 HH TYR 15 8.415 -11.918 -1.100 113 H GLU 16 H GLU 16 2.776 -12.008 4.051 114 HA GLU 16 HA GLU 16 3.917 -14.359 3.029 115 HB2 GLU 16 1HB GLU 16 4.120 -13.530 5.376 116 HB3 GLU 16 2HB GLU 16 2.453 -14.012 5.654 117 HG2 GLU 16 1HG GLU 16 3.038 -16.331 5.242 118 HG3 GLU 16 2HG GLU 16 4.704 -15.863 4.907 119 H HIS 17 H HIS 17 0.617 -13.427 3.599 120 HA HIS 17 HA HIS 17 -0.481 -16.051 3.213 121 HB2 HIS 17 1HB HIS 17 -1.540 -14.213 4.576 122 HB3 HIS 17 2HB HIS 17 -1.894 -13.380 3.069 123 HD1 HIS 17 HD1 HIS 17 -2.589 -16.820 4.576 124 HD2 HIS 17 HD2 HIS 17 -4.371 -13.932 2.165 125 HE1 HIS 17 HE1 HIS 17 -4.904 -17.674 4.084 126 HE2 HIS 17 HE2 HIS 17 -6.008 -15.856 2.730 127 H LYS 18 H LYS 18 -0.371 -13.056 1.274 128 HA LYS 18 HA LYS 18 -1.568 -14.182 -1.045 129 HB2 LYS 18 1HB LYS 18 0.015 -11.696 -0.491 130 HB3 LYS 18 2HB LYS 18 -0.382 -12.135 -2.144 131 HG2 LYS 18 1HG LYS 18 -2.469 -11.858 -0.003 132 HG3 LYS 18 2HG LYS 18 -1.928 -10.504 -0.995 133 HD2 LYS 18 1HD LYS 18 -2.469 -12.018 -3.001 134 HD3 LYS 18 2HD LYS 18 -3.369 -13.000 -1.844 135 HE2 LYS 18 1HE LYS 18 -3.816 -10.046 -2.236 136 HE3 LYS 18 2HE LYS 18 -4.723 -11.289 -3.092 137 HZ1 LYS 18 3HZ LYS 18 -5.698 -10.283 -0.963 138 HZ2 LYS 18 1HZ LYS 18 -4.601 -11.284 -0.146 139 HZ3 LYS 18 2HZ LYS 18 -5.771 -11.970 -1.163 140 H LYS 19 H LYS 19 1.524 -14.486 0.278 141 HA LYS 19 HA LYS 19 3.219 -14.734 -1.905 142 HB2 LYS 19 1HB LYS 19 3.926 -14.710 0.463 143 HB3 LYS 19 2HB LYS 19 3.238 -16.310 0.679 144 HG2 LYS 19 1HG LYS 19 4.851 -17.130 -1.058 145 HG3 LYS 19 2HG LYS 19 5.619 -15.540 -0.984 146 HD2 LYS 19 1HD LYS 19 6.006 -15.848 1.418 147 HD3 LYS 19 2HD LYS 19 5.252 -17.439 1.333 148 HE2 LYS 19 1HE LYS 19 7.007 -18.086 -0.329 149 HE3 LYS 19 2HE LYS 19 7.805 -16.548 0.005 150 HZ1 LYS 19 3HZ LYS 19 7.317 -18.773 1.910 151 HZ2 LYS 19 1HZ LYS 19 7.880 -17.241 2.381 152 HZ3 LYS 19 2HZ LYS 19 8.818 -18.207 1.350 153 H GLN 20 H GLN 20 0.772 -16.916 -0.711 154 HA GLN 20 HA GLN 20 1.799 -19.153 -2.257 155 HB2 GLN 20 1HB GLN 20 -0.050 -20.421 -1.308 156 HB3 GLN 20 2HB GLN 20 0.826 -19.573 -0.042 157 HG2 GLN 20 1HG GLN 20 -0.944 -17.786 -0.180 158 HG3 GLN 20 2HG GLN 20 -1.853 -18.886 -1.217 159 HE21 GLN 20 2HE2 GLN 20 -3.536 -19.042 0.251 160 HE22 GLN 20 1HE2 GLN 20 -3.388 -19.948 1.726 161 H VAL 21 H VAL 21 -0.001 -16.464 -2.941 162 HA VAL 21 HA VAL 21 -1.779 -17.774 -4.852 163 HB VAL 21 HB VAL 21 -1.520 -14.843 -4.151 164 HG11 VAL 21 1HG1 VAL 21 -3.580 -16.273 -5.832 165 HG12 VAL 21 2HG1 VAL 21 -2.346 -15.159 -6.422 166 HG13 VAL 21 3HG1 VAL 21 -3.634 -14.572 -5.367 167 HG21 VAL 21 3HG2 VAL 21 -3.602 -16.869 -3.345 168 HG22 VAL 21 1HG2 VAL 21 -3.639 -15.148 -2.969 169 HG23 VAL 21 2HG2 VAL 21 -2.373 -16.172 -2.294 170 H TRP 22 H TRP 22 0.768 -15.328 -4.770 171 HA TRP 22 HA TRP 22 0.967 -15.359 -7.669 172 HB2 TRP 22 1HB TRP 22 2.612 -13.824 -5.645 173 HB3 TRP 22 2HB TRP 22 2.610 -13.573 -7.387 174 HD1 TRP 22 HD1 TRP 22 -0.463 -13.421 -7.977 175 HE1 TRP 22 HE1 TRP 22 -1.860 -11.450 -7.094 176 HE3 TRP 22 HE3 TRP 22 2.598 -11.904 -4.179 177 HZ2 TRP 22 HZ2 TRP 22 -1.683 -9.501 -5.053 178 HZ3 TRP 22 HZ3 TRP 22 1.920 -9.975 -2.814 179 HH2 TRP 22 HH2 TRP 22 -0.178 -8.799 -3.240 180 H SER 23 H SER 23 3.233 -15.455 -8.589 181 HA SER 23 HA SER 23 4.556 -17.845 -7.687 182 HB2 SER 23 1HB SER 23 5.480 -15.904 -9.817 183 HB3 SER 23 2HB SER 23 5.905 -17.610 -9.655 184 HG SER 23 HG SER 23 3.219 -17.296 -9.774 185 H VAL 24 H VAL 24 6.705 -17.956 -6.889 186 HA VAL 24 HA VAL 24 7.237 -16.197 -4.835 187 HB VAL 24 HB VAL 24 8.133 -18.477 -4.933 188 HG11 VAL 24 1HG1 VAL 24 10.058 -17.363 -6.960 189 HG12 VAL 24 2HG1 VAL 24 8.811 -18.577 -7.249 190 HG13 VAL 24 3HG1 VAL 24 10.180 -18.950 -6.200 191 HG21 VAL 24 3HG2 VAL 24 10.246 -16.357 -4.573 192 HG22 VAL 24 1HG2 VAL 24 10.332 -18.009 -3.956 193 HG23 VAL 24 2HG2 VAL 24 9.093 -16.905 -3.354 194 H GLY 25 H GLY 25 8.586 -16.131 -8.122 195 HA2 GLY 25 1HA GLY 25 10.515 -14.118 -7.647 196 HA3 GLY 25 2HA GLY 25 9.818 -14.523 -9.209 197 H TYR 26 H TYR 26 7.283 -13.891 -9.088 198 HA TYR 26 HA TYR 26 7.143 -11.114 -9.292 199 HB2 TYR 26 1HB TYR 26 5.570 -12.666 -10.392 200 HB3 TYR 26 2HB TYR 26 4.881 -13.077 -8.827 201 HD1 TYR 26 HD2 TYR 26 5.186 -10.449 -11.381 202 HD2 TYR 26 HD1 TYR 26 3.304 -11.612 -7.746 203 HE1 TYR 26 HE2 TYR 26 3.580 -8.605 -11.627 204 HE2 TYR 26 HE1 TYR 26 1.691 -9.773 -7.986 205 HH TYR 26 HH TYR 26 1.198 -8.124 -10.817 206 H ALA 27 H ALA 27 6.203 -13.273 -6.651 207 HA ALA 27 HA ALA 27 5.032 -11.345 -4.983 208 HB1 ALA 27 3HB ALA 27 6.443 -13.891 -4.192 209 HB2 ALA 27 1HB ALA 27 4.743 -13.747 -4.646 210 HB3 ALA 27 2HB ALA 27 5.336 -12.962 -3.182 211 H THR 28 H THR 28 8.383 -12.463 -5.251 212 HA THR 28 HA THR 28 9.376 -10.963 -3.072 213 HB THR 28 HB THR 28 10.866 -11.935 -5.518 214 HG1 THR 28 HG1 THR 28 10.050 -13.722 -4.526 215 HG21 THR 28 3HG2 THR 28 11.873 -11.169 -2.772 216 HG22 THR 28 1HG2 THR 28 12.113 -10.242 -4.251 217 HG23 THR 28 2HG2 THR 28 12.847 -11.835 -4.081 218 H GLU 29 H GLU 29 9.261 -10.278 -6.570 219 HA GLU 29 HA GLU 29 10.501 -7.764 -6.484 220 HB2 GLU 29 1HB GLU 29 8.606 -9.093 -8.374 221 HB3 GLU 29 2HB GLU 29 8.935 -7.379 -8.570 222 HG2 GLU 29 1HG GLU 29 11.033 -9.534 -8.514 223 HG3 GLU 29 2HG GLU 29 10.361 -8.810 -9.975 224 H LEU 30 H LEU 30 7.070 -8.636 -6.273 225 HA LEU 30 HA LEU 30 6.047 -6.037 -6.062 226 HB2 LEU 30 1HB LEU 30 4.685 -8.041 -6.517 227 HB3 LEU 30 2HB LEU 30 4.967 -8.606 -4.884 228 HG LEU 30 HG LEU 30 3.675 -5.939 -5.226 229 HD11 LEU 30 1HD1 LEU 30 1.479 -6.998 -5.429 230 HD12 LEU 30 2HD1 LEU 30 2.255 -8.572 -5.603 231 HD13 LEU 30 3HD1 LEU 30 2.490 -7.331 -6.835 232 HD21 LEU 30 3HD2 LEU 30 3.321 -8.229 -3.295 233 HD22 LEU 30 1HD2 LEU 30 2.448 -6.697 -3.229 234 HD23 LEU 30 2HD2 LEU 30 4.196 -6.728 -2.994 235 H ALA 31 H ALA 31 7.035 -8.342 -3.552 236 HA ALA 31 HA ALA 31 6.369 -6.724 -1.346 237 HB1 ALA 31 3HB ALA 31 8.443 -8.903 -1.551 238 HB2 ALA 31 1HB ALA 31 6.742 -9.118 -1.136 239 HB3 ALA 31 2HB ALA 31 7.808 -8.223 -0.052 240 H LYS 32 H LYS 32 9.379 -7.085 -3.182 241 HA LYS 32 HA LYS 32 10.951 -5.477 -1.465 242 HB2 LYS 32 1HB LYS 32 11.713 -7.117 -3.304 243 HB3 LYS 32 2HB LYS 32 11.463 -5.776 -4.414 244 HG2 LYS 32 1HG LYS 32 13.021 -4.435 -2.957 245 HG3 LYS 32 2HG LYS 32 13.404 -5.944 -2.126 246 HD2 LYS 32 1HD LYS 32 15.072 -5.644 -3.783 247 HD3 LYS 32 2HD LYS 32 13.985 -6.896 -4.393 248 HE2 LYS 32 1HE LYS 32 14.452 -5.386 -6.189 249 HE3 LYS 32 2HE LYS 32 12.785 -5.132 -5.678 250 HZ1 LYS 32 3HZ LYS 32 13.621 -3.240 -4.307 251 HZ2 LYS 32 1HZ LYS 32 13.786 -3.016 -5.979 252 HZ3 LYS 32 2HZ LYS 32 15.135 -3.435 -5.045 253 H MET 33 H MET 33 9.224 -4.779 -4.486 254 HA MET 33 HA MET 33 9.867 -2.061 -4.703 255 HB2 MET 33 1HB MET 33 8.811 -3.233 -6.532 256 HB3 MET 33 2HB MET 33 7.392 -3.575 -5.555 257 HG2 MET 33 1HG MET 33 6.966 -1.121 -5.442 258 HG3 MET 33 2HG MET 33 8.289 -0.892 -6.584 259 HE1 MET 33 3HE MET 33 4.711 -2.353 -5.998 260 HE2 MET 33 1HE MET 33 5.618 -3.796 -6.453 261 HE3 MET 33 2HE MET 33 4.377 -3.154 -7.532 262 H PHE 34 H PHE 34 7.097 -3.641 -3.162 263 HA PHE 34 HA PHE 34 5.796 -1.317 -2.257 264 HB2 PHE 34 1HB PHE 34 4.967 -3.762 -2.407 265 HB3 PHE 34 2HB PHE 34 5.730 -3.977 -0.838 266 HD1 PHE 34 HD2 PHE 34 3.009 -2.352 -2.667 267 HD2 PHE 34 HD1 PHE 34 4.769 -3.027 1.150 268 HE1 PHE 34 HE2 PHE 34 0.956 -1.543 -1.583 269 HE2 PHE 34 HE1 PHE 34 2.716 -2.226 2.242 270 HZ PHE 34 HZ PHE 34 0.807 -1.482 0.876 271 H ASP 35 H ASP 35 8.280 -3.365 -0.827 272 HA ASP 35 HA ASP 35 8.343 -2.170 1.730 273 HB2 ASP 35 1HB ASP 35 9.352 -4.382 1.096 274 HB3 ASP 35 2HB ASP 35 10.628 -3.503 0.264 275 H ASP 36 H ASP 36 10.385 -1.677 -1.141 276 HA ASP 36 HA ASP 36 12.176 0.146 -0.047 277 HB2 ASP 36 1HB ASP 36 11.262 -0.280 -2.885 278 HB3 ASP 36 2HB ASP 36 12.488 0.913 -2.475 279 H ASP 37 H ASP 37 9.007 0.747 -1.469 280 HA ASP 37 HA ASP 37 9.490 3.626 -1.175 281 HB2 ASP 37 1HB ASP 37 7.479 2.086 -2.798 282 HB3 ASP 37 2HB ASP 37 7.357 3.826 -2.548 283 H ILE 38 H ILE 38 6.989 1.202 -0.380 284 HA ILE 38 HA ILE 38 5.297 3.129 0.851 285 HB ILE 38 HB ILE 38 5.272 0.128 0.796 286 HG12 ILE 38 1HG1 ILE 38 3.013 0.586 -0.243 287 HG13 ILE 38 2HG1 ILE 38 3.435 2.293 -0.232 288 HG21 ILE 38 1HG2 ILE 38 3.384 1.856 2.385 289 HG22 ILE 38 2HG2 ILE 38 4.536 0.688 3.032 290 HG23 ILE 38 3HG2 ILE 38 3.172 0.135 2.061 291 HD11 ILE 38 3HD1 ILE 38 4.887 0.115 -1.707 292 HD12 ILE 38 1HD1 ILE 38 5.343 1.818 -1.685 293 HD13 ILE 38 2HD1 ILE 38 3.814 1.323 -2.410 294 H LEU 39 H LEU 39 7.704 0.869 2.136 295 HA LEU 39 HA LEU 39 6.911 1.036 4.816 296 HB2 LEU 39 1HB LEU 39 9.341 0.112 3.411 297 HB3 LEU 39 2HB LEU 39 9.502 0.462 5.121 298 HG LEU 39 HG LEU 39 8.991 -1.947 4.505 299 HD11 LEU 39 1HD1 LEU 39 8.716 -1.095 6.766 300 HD12 LEU 39 2HD1 LEU 39 7.433 -2.239 6.371 301 HD13 LEU 39 3HD1 LEU 39 7.103 -0.507 6.362 302 HD21 LEU 39 3HD2 LEU 39 6.275 -0.756 3.945 303 HD22 LEU 39 1HD2 LEU 39 6.627 -2.480 4.084 304 HD23 LEU 39 2HD2 LEU 39 7.336 -1.538 2.772 305 HA PRO 40 HA PRO 40 10.286 4.530 5.417 306 HB2 PRO 40 1HB PRO 40 10.282 5.672 2.677 307 HB3 PRO 40 2HB PRO 40 11.622 5.463 3.810 308 HG2 PRO 40 1HG PRO 40 11.388 3.879 1.689 309 HG3 PRO 40 2HG PRO 40 11.913 3.227 3.254 310 HD2 PRO 40 1HD PRO 40 9.228 3.068 1.937 311 HD3 PRO 40 2HD PRO 40 10.120 1.818 2.831 312 H ILE 41 H ILE 41 7.409 4.610 3.489 313 HA ILE 41 HA ILE 41 6.918 7.421 4.157 314 HB ILE 41 HB ILE 41 5.289 5.607 2.371 315 HG12 ILE 41 1HG1 ILE 41 7.544 5.990 1.454 316 HG13 ILE 41 2HG1 ILE 41 6.315 6.808 0.496 317 HG21 ILE 41 1HG2 ILE 41 4.242 7.663 1.590 318 HG22 ILE 41 2HG2 ILE 41 5.217 8.603 2.720 319 HG23 ILE 41 3HG2 ILE 41 4.014 7.464 3.328 320 HD11 ILE 41 3HD1 ILE 41 6.884 8.923 1.545 321 HD12 ILE 41 1HD1 ILE 41 8.299 8.183 0.793 322 HD13 ILE 41 2HD1 ILE 41 8.092 8.110 2.543 323 H ILE 42 H ILE 42 4.951 4.416 4.139 324 HA ILE 42 HA ILE 42 3.568 5.480 6.527 325 HB ILE 42 HB ILE 42 1.515 4.378 5.795 326 HG12 ILE 42 1HG1 ILE 42 2.717 3.895 3.094 327 HG13 ILE 42 2HG1 ILE 42 2.931 2.700 4.373 328 HG21 ILE 42 1HG2 ILE 42 2.662 6.212 3.698 329 HG22 ILE 42 2HG2 ILE 42 1.856 6.705 5.186 330 HG23 ILE 42 3HG2 ILE 42 0.949 5.861 3.932 331 HD11 ILE 42 3HD1 ILE 42 0.515 2.534 4.615 332 HD12 ILE 42 1HD1 ILE 42 1.044 2.140 2.979 333 HD13 ILE 42 2HD1 ILE 42 0.306 3.709 3.313 334 H GLY 43 H GLY 43 5.695 3.209 5.683 335 HA2 GLY 43 1HA GLY 43 4.603 0.735 6.374 336 HA3 GLY 43 2HA GLY 43 6.302 1.152 6.506 337 H GLY 44 H GLY 44 6.122 3.173 8.428 338 HA2 GLY 44 1HA GLY 44 5.774 1.493 10.774 339 HA3 GLY 44 2HA GLY 44 6.556 3.065 10.722 340 H LEU 45 H LEU 45 3.582 3.145 9.120 341 HA LEU 45 HA LEU 45 2.416 4.539 11.417 342 HB2 LEU 45 1HB LEU 45 1.600 4.449 8.513 343 HB3 LEU 45 2HB LEU 45 0.738 5.335 9.755 344 HG LEU 45 HG LEU 45 3.591 5.864 8.926 345 HD11 LEU 45 1HD1 LEU 45 1.996 6.425 7.162 346 HD12 LEU 45 2HD1 LEU 45 2.703 7.875 7.877 347 HD13 LEU 45 3HD1 LEU 45 1.065 7.387 8.311 348 HD21 LEU 45 3HD2 LEU 45 3.377 7.876 10.278 349 HD22 LEU 45 1HD2 LEU 45 3.115 6.437 11.262 350 HD23 LEU 45 2HD2 LEU 45 1.740 7.409 10.738 351 H GLU 46 H GLU 46 0.541 3.899 12.382 352 HA GLU 46 HA GLU 46 -0.308 1.207 12.017 353 HB2 GLU 46 1HB GLU 46 -1.486 3.468 13.628 354 HB3 GLU 46 2HB GLU 46 -2.111 1.823 13.645 355 HG2 GLU 46 1HG GLU 46 0.079 1.025 14.430 356 HG3 GLU 46 2HG GLU 46 0.645 2.694 14.480 357 H ILE 47 H ILE 47 -2.091 0.408 11.025 358 HA ILE 47 HA ILE 47 -2.703 1.695 8.617 359 HB ILE 47 HB ILE 47 -2.690 -0.794 9.104 360 HG12 ILE 47 1HG1 ILE 47 -5.154 0.134 7.632 361 HG13 ILE 47 2HG1 ILE 47 -3.528 0.356 6.992 362 HG21 ILE 47 1HG2 ILE 47 -4.839 -1.804 9.740 363 HG22 ILE 47 2HG2 ILE 47 -5.484 -0.194 10.061 364 HG23 ILE 47 3HG2 ILE 47 -4.151 -0.819 11.032 365 HD11 ILE 47 3HD1 ILE 47 -4.837 -2.272 7.651 366 HD12 ILE 47 1HD1 ILE 47 -3.189 -2.071 7.053 367 HD13 ILE 47 2HD1 ILE 47 -4.558 -1.609 6.040 368 H GLN 48 H GLN 48 -4.291 1.866 11.688 369 HA GLN 48 HA GLN 48 -6.727 2.967 10.539 370 HB2 GLN 48 1HB GLN 48 -5.940 2.685 13.440 371 HB3 GLN 48 2HB GLN 48 -7.528 3.121 12.837 372 HG2 GLN 48 1HG GLN 48 -7.590 0.871 11.708 373 HG3 GLN 48 2HG GLN 48 -6.136 0.471 12.626 374 HE21 GLN 48 2HE2 GLN 48 -8.746 -0.755 12.777 375 HE22 GLN 48 1HE2 GLN 48 -9.312 -0.552 14.401 376 H ASP 49 H ASP 49 -3.711 4.164 11.189 377 HA ASP 49 HA ASP 49 -4.782 6.788 12.007 378 HB2 ASP 49 1HB ASP 49 -3.458 5.483 13.768 379 HB3 ASP 49 2HB ASP 49 -2.041 5.794 12.769 380 H ILE 50 H ILE 50 -3.614 5.269 9.454 381 HA ILE 50 HA ILE 50 -1.495 6.974 8.603 382 HB ILE 50 HB ILE 50 -3.283 5.153 6.985 383 HG12 ILE 50 1HG1 ILE 50 -0.464 4.784 8.017 384 HG13 ILE 50 2HG1 ILE 50 -1.901 4.008 8.675 385 HG21 ILE 50 1HG2 ILE 50 -2.319 6.906 5.587 386 HG22 ILE 50 2HG2 ILE 50 -1.600 5.338 5.222 387 HG23 ILE 50 3HG2 ILE 50 -0.709 6.512 6.189 388 HD11 ILE 50 3HD1 ILE 50 -0.787 3.620 5.912 389 HD12 ILE 50 1HD1 ILE 50 -2.236 2.848 6.557 390 HD13 ILE 50 2HD1 ILE 50 -0.659 2.494 7.262 391 H GLU 51 H GLU 51 -1.579 8.906 7.720 392 HA GLU 51 HA GLU 51 -4.166 10.152 7.342 393 HB2 GLU 51 1HB GLU 51 -2.825 12.220 6.929 394 HB3 GLU 51 2HB GLU 51 -2.544 11.475 8.494 395 HG2 GLU 51 1HG GLU 51 -0.736 10.798 6.235 396 HG3 GLU 51 2HG GLU 51 -0.564 12.358 7.035 397 HA PRO 52 HA PRO 52 -4.751 9.642 3.031 398 HB2 PRO 52 1HB PRO 52 -5.343 12.563 3.041 399 HB3 PRO 52 2HB PRO 52 -6.302 11.222 2.406 400 HG2 PRO 52 1HG PRO 52 -6.966 12.392 4.699 401 HG3 PRO 52 2HG PRO 52 -7.111 10.636 4.497 402 HD2 PRO 52 1HD PRO 52 -5.070 12.213 5.987 403 HD3 PRO 52 2HD PRO 52 -5.766 10.625 6.362 404 H MET 53 H MET 53 -3.079 12.681 3.905 405 HA MET 53 HA MET 53 -1.990 13.026 1.301 406 HB2 MET 53 1HB MET 53 -1.271 14.303 3.936 407 HB3 MET 53 2HB MET 53 -0.559 14.771 2.398 408 HG2 MET 53 1HG MET 53 -2.797 15.343 1.558 409 HG3 MET 53 2HG MET 53 -3.475 14.925 3.128 410 HE1 MET 53 3HE MET 53 -1.199 17.396 1.124 411 HE2 MET 53 1HE MET 53 -0.078 16.774 2.335 412 HE3 MET 53 2HE MET 53 -0.598 18.458 2.397 413 H GLN 54 H GLN 54 -0.944 11.185 4.042 414 HA GLN 54 HA GLN 54 1.786 10.997 3.096 415 HB2 GLN 54 1HB GLN 54 1.176 10.835 5.527 416 HB3 GLN 54 2HB GLN 54 0.418 9.288 5.180 417 HG2 GLN 54 1HG GLN 54 2.562 8.842 6.068 418 HG3 GLN 54 2HG GLN 54 2.619 8.476 4.346 419 HE21 GLN 54 2HE2 GLN 54 4.810 9.040 6.126 420 HE22 GLN 54 1HE2 GLN 54 5.618 10.434 5.503 421 H LEU 55 H LEU 55 -1.192 9.168 2.892 422 HA LEU 55 HA LEU 55 -0.054 6.885 1.625 423 HB2 LEU 55 1HB LEU 55 -2.305 6.968 2.731 424 HB3 LEU 55 2HB LEU 55 -2.879 7.925 1.381 425 HG LEU 55 HG LEU 55 -2.455 6.060 -0.147 426 HD11 LEU 55 1HD1 LEU 55 -1.630 4.559 2.336 427 HD12 LEU 55 2HD1 LEU 55 -0.567 5.047 1.015 428 HD13 LEU 55 3HD1 LEU 55 -1.840 3.861 0.729 429 HD21 LEU 55 3HD2 LEU 55 -4.213 4.576 0.645 430 HD22 LEU 55 1HD2 LEU 55 -4.641 6.261 0.947 431 HD23 LEU 55 2HD2 LEU 55 -4.065 5.245 2.271 432 H LEU 56 H LEU 56 -1.511 9.896 0.482 433 HA LEU 56 HA LEU 56 -1.169 9.419 -2.280 434 HB2 LEU 56 1HB LEU 56 -2.603 11.203 -1.330 435 HB3 LEU 56 2HB LEU 56 -1.173 12.052 -0.787 436 HG LEU 56 HG LEU 56 -2.403 12.817 -2.959 437 HD11 LEU 56 1HD1 LEU 56 -0.333 13.789 -2.136 438 HD12 LEU 56 2HD1 LEU 56 -0.330 13.645 -3.893 439 HD13 LEU 56 3HD1 LEU 56 0.587 12.500 -2.912 440 HD21 LEU 56 3HD2 LEU 56 -0.659 10.626 -4.060 441 HD22 LEU 56 1HD2 LEU 56 -1.559 11.820 -4.996 442 HD23 LEU 56 2HD2 LEU 56 -2.424 10.618 -4.035 443 H GLU 57 H GLU 57 0.985 10.459 0.257 444 HA GLU 57 HA GLU 57 3.098 11.419 -1.333 445 HB2 GLU 57 1HB GLU 57 2.764 11.558 1.228 446 HB3 GLU 57 2HB GLU 57 3.522 9.970 1.267 447 HG2 GLU 57 1HG GLU 57 5.151 11.698 1.690 448 HG3 GLU 57 2HG GLU 57 5.495 10.893 0.157 449 H VAL 58 H VAL 58 2.209 8.162 -0.278 450 HA VAL 58 HA VAL 58 4.429 6.787 -1.328 451 HB VAL 58 HB VAL 58 1.563 5.822 -1.189 452 HG11 VAL 58 1HG1 VAL 58 2.924 4.476 -2.705 453 HG12 VAL 58 2HG1 VAL 58 2.528 3.574 -1.242 454 HG13 VAL 58 3HG1 VAL 58 4.138 4.266 -1.443 455 HG21 VAL 58 3HG2 VAL 58 2.388 6.502 0.995 456 HG22 VAL 58 1HG2 VAL 58 3.835 5.518 0.774 457 HG23 VAL 58 2HG2 VAL 58 2.254 4.744 0.908 458 H ILE 59 H ILE 59 1.238 7.385 -2.806 459 HA ILE 59 HA ILE 59 1.787 6.390 -5.351 460 HB ILE 59 HB ILE 59 -0.114 8.490 -4.367 461 HG12 ILE 59 1HG1 ILE 59 -1.802 6.871 -5.242 462 HG13 ILE 59 2HG1 ILE 59 -0.481 5.785 -5.664 463 HG21 ILE 59 1HG2 ILE 59 -1.097 8.688 -6.604 464 HG22 ILE 59 2HG2 ILE 59 0.226 7.726 -7.262 465 HG23 ILE 59 3HG2 ILE 59 0.553 9.307 -6.552 466 HD11 ILE 59 3HD1 ILE 59 -1.536 5.122 -3.588 467 HD12 ILE 59 1HD1 ILE 59 -1.200 6.708 -2.891 468 HD13 ILE 59 2HD1 ILE 59 0.130 5.625 -3.304 469 H ARG 60 H ARG 60 2.314 9.623 -4.031 470 HA ARG 60 HA ARG 60 3.257 10.768 -6.453 471 HB2 ARG 60 1HB ARG 60 2.258 12.002 -4.505 472 HB3 ARG 60 2HB ARG 60 3.762 11.729 -3.636 473 HG2 ARG 60 1HG ARG 60 4.977 13.111 -5.078 474 HG3 ARG 60 2HG ARG 60 3.694 13.112 -6.293 475 HD2 ARG 60 1HD ARG 60 3.687 15.221 -5.137 476 HD3 ARG 60 2HD ARG 60 2.239 14.314 -4.704 477 HE ARG 60 HE ARG 60 3.818 13.661 -2.681 478 HH11 ARG 60 1HH1 ARG 60 3.356 16.782 -4.209 479 HH12 ARG 60 2HH1 ARG 60 3.602 17.677 -2.748 480 HH21 ARG 60 1HH2 ARG 60 4.160 14.838 -0.746 481 HH22 ARG 60 2HH2 ARG 60 4.053 16.574 -0.774 482 H ARG 61 H ARG 61 4.757 8.914 -3.936 483 HA ARG 61 HA ARG 61 7.453 9.584 -4.448 484 HB2 ARG 61 1HB ARG 61 6.819 8.353 -2.441 485 HB3 ARG 61 2HB ARG 61 6.233 7.012 -3.414 486 HG2 ARG 61 1HG ARG 61 8.399 6.514 -2.431 487 HG3 ARG 61 2HG ARG 61 8.498 6.570 -4.192 488 HD2 ARG 61 1HD ARG 61 9.240 8.991 -3.906 489 HD3 ARG 61 2HD ARG 61 9.450 8.607 -2.199 490 HE ARG 61 HE ARG 61 11.089 6.902 -2.916 491 HH11 ARG 61 1HH1 ARG 61 10.217 9.460 -5.123 492 HH12 ARG 61 2HH1 ARG 61 11.707 9.416 -6.011 493 HH21 ARG 61 1HH2 ARG 61 13.078 6.812 -4.086 494 HH22 ARG 61 2HH2 ARG 61 13.335 7.900 -5.423 495 H PHE 62 H PHE 62 5.261 7.171 -5.816 496 HA PHE 62 HA PHE 62 7.194 6.129 -7.643 497 HB2 PHE 62 1HB PHE 62 4.185 5.933 -7.548 498 HB3 PHE 62 2HB PHE 62 5.155 5.158 -8.796 499 HD1 PHE 62 HD1 PHE 62 6.886 3.466 -8.096 500 HD2 PHE 62 HD2 PHE 62 3.891 4.929 -5.454 501 HE1 PHE 62 HE1 PHE 62 7.237 1.522 -6.631 502 HE2 PHE 62 HE2 PHE 62 4.238 2.989 -3.981 503 HZ PHE 62 HZ PHE 62 5.913 1.281 -4.570 504 H GLU 63 H GLU 63 4.880 8.757 -7.740 505 HA GLU 63 HA GLU 63 4.985 9.288 -10.511 506 HB2 GLU 63 1HB GLU 63 3.320 10.298 -8.967 507 HB3 GLU 63 2HB GLU 63 4.600 11.263 -8.247 508 HG2 GLU 63 1HG GLU 63 4.978 12.351 -10.420 509 HG3 GLU 63 2HG GLU 63 3.647 11.418 -11.101 510 H ASP 64 H ASP 64 6.972 10.342 -7.797 511 HA ASP 64 HA ASP 64 8.704 12.098 -9.096 512 HB2 ASP 64 1HB ASP 64 8.728 11.857 -6.684 513 HB3 ASP 64 2HB ASP 64 9.238 10.176 -6.820 514 H ARG 65 H ARG 65 8.716 8.589 -8.932 515 HA ARG 65 HA ARG 65 11.241 8.277 -10.252 516 HB2 ARG 65 1HB ARG 65 9.014 6.260 -9.930 517 HB3 ARG 65 2HB ARG 65 10.670 5.910 -10.391 518 HG2 ARG 65 1HG ARG 65 11.392 6.767 -8.165 519 HG3 ARG 65 2HG ARG 65 9.684 6.887 -7.726 520 HD2 ARG 65 1HD ARG 65 9.417 4.489 -8.214 521 HD3 ARG 65 2HD ARG 65 11.136 4.384 -8.576 522 HE ARG 65 HE ARG 65 9.897 4.566 -5.961 523 HH11 ARG 65 1HH1 ARG 65 12.872 4.852 -7.810 524 HH12 ARG 65 2HH1 ARG 65 13.884 4.505 -6.442 525 HH21 ARG 65 1HH2 ARG 65 11.218 4.122 -4.195 526 HH22 ARG 65 2HH2 ARG 65 12.953 4.120 -4.381 527 H GLY 66 H GLY 66 8.012 8.849 -11.272 528 HA2 GLY 66 1HA GLY 66 7.291 9.256 -13.466 529 HA3 GLY 66 2HA GLY 66 8.775 8.525 -14.068 530 H ALA 67 H ALA 67 7.426 6.659 -11.657 531 HA ALA 67 HA ALA 67 6.572 4.671 -13.604 532 HB1 ALA 67 3HB ALA 67 8.084 3.975 -11.806 533 HB2 ALA 67 1HB ALA 67 6.543 3.121 -11.712 534 HB3 ALA 67 2HB ALA 67 6.881 4.453 -10.607 535 H MET 68 H MET 68 4.613 5.489 -14.308 536 HA MET 68 HA MET 68 2.619 6.448 -12.502 537 HB2 MET 68 1HB MET 68 2.943 7.128 -14.940 538 HB3 MET 68 2HB MET 68 2.166 5.610 -15.362 539 HG2 MET 68 1HG MET 68 0.374 7.003 -15.420 540 HG3 MET 68 2HG MET 68 0.298 6.480 -13.741 541 HE1 MET 68 3HE MET 68 1.106 7.990 -11.676 542 HE2 MET 68 1HE MET 68 1.795 9.603 -11.856 543 HE3 MET 68 2HE MET 68 2.703 8.192 -12.398 544 H GLU 69 H GLU 69 3.271 3.416 -14.154 545 HA GLU 69 HA GLU 69 0.851 2.092 -13.630 546 HB2 GLU 69 1HB GLU 69 2.525 1.169 -15.156 547 HB3 GLU 69 2HB GLU 69 3.654 0.963 -13.823 548 HG2 GLU 69 1HG GLU 69 1.881 -0.552 -12.786 549 HG3 GLU 69 2HG GLU 69 1.119 -0.541 -14.375 550 H ARG 70 H ARG 70 3.905 2.075 -11.835 551 HA ARG 70 HA ARG 70 2.957 0.430 -9.747 552 HB2 ARG 70 1HB ARG 70 5.299 2.334 -9.682 553 HB3 ARG 70 2HB ARG 70 5.037 0.956 -8.620 554 HG2 ARG 70 1HG ARG 70 5.173 -0.527 -10.609 555 HG3 ARG 70 2HG ARG 70 5.597 0.885 -11.577 556 HD2 ARG 70 1HD ARG 70 7.519 1.253 -9.994 557 HD3 ARG 70 2HD ARG 70 7.144 -0.322 -9.293 558 HE ARG 70 HE ARG 70 7.968 0.109 -12.093 559 HH11 ARG 70 1HH1 ARG 70 7.820 -1.900 -9.218 560 HH12 ARG 70 2HH1 ARG 70 8.816 -3.151 -9.898 561 HH21 ARG 70 1HH2 ARG 70 9.265 -1.522 -12.975 562 HH22 ARG 70 2HH2 ARG 70 9.624 -2.946 -12.043 563 H ALA 71 H ALA 71 2.830 3.856 -10.309 564 HA ALA 71 HA ALA 71 2.242 4.685 -7.671 565 HB1 ALA 71 3HB ALA 71 1.366 5.919 -10.285 566 HB2 ALA 71 1HB ALA 71 2.871 6.265 -9.432 567 HB3 ALA 71 2HB ALA 71 1.326 6.705 -8.706 568 H ASN 72 H ASN 72 0.135 3.857 -10.420 569 HA ASN 72 HA ASN 72 -2.279 4.078 -8.897 570 HB2 ASN 72 1HB ASN 72 -1.623 2.921 -11.598 571 HB3 ASN 72 2HB ASN 72 -3.224 2.729 -10.895 572 HD21 ASN 72 2HD2 ASN 72 -1.224 5.580 -10.464 573 HD22 ASN 72 1HD2 ASN 72 -2.224 6.641 -11.390 574 H LYS 73 H LYS 73 0.025 1.588 -9.532 575 HA LYS 73 HA LYS 73 -1.596 -0.607 -8.707 576 HB2 LYS 73 1HB LYS 73 0.355 -0.826 -10.206 577 HB3 LYS 73 2HB LYS 73 1.412 -0.379 -8.876 578 HG2 LYS 73 1HG LYS 73 1.027 -2.388 -7.746 579 HG3 LYS 73 2HG LYS 73 -0.407 -2.755 -8.710 580 HD2 LYS 73 1HD LYS 73 0.983 -3.050 -10.687 581 HD3 LYS 73 2HD LYS 73 2.422 -2.650 -9.748 582 HE2 LYS 73 1HE LYS 73 2.238 -4.621 -8.454 583 HE3 LYS 73 2HE LYS 73 0.605 -4.937 -9.040 584 HZ1 LYS 73 3HZ LYS 73 1.436 -5.453 -11.181 585 HZ2 LYS 73 1HZ LYS 73 2.353 -6.338 -10.069 586 HZ3 LYS 73 2HZ LYS 73 3.006 -4.943 -10.789 587 H ALA 74 H ALA 74 0.771 1.483 -7.107 588 HA ALA 74 HA ALA 74 0.858 0.218 -4.621 589 HB1 ALA 74 3HB ALA 74 0.969 3.191 -5.136 590 HB2 ALA 74 1HB ALA 74 2.334 2.083 -5.289 591 HB3 ALA 74 2HB ALA 74 1.582 2.342 -3.716 592 H ARG 75 H ARG 75 -1.261 2.845 -5.735 593 HA ARG 75 HA ARG 75 -2.847 3.175 -3.506 594 HB2 ARG 75 1HB ARG 75 -3.075 4.637 -5.406 595 HB3 ARG 75 2HB ARG 75 -3.600 3.307 -6.430 596 HG2 ARG 75 1HG ARG 75 -5.623 3.080 -5.028 597 HG3 ARG 75 2HG ARG 75 -5.111 4.498 -4.112 598 HD2 ARG 75 1HD ARG 75 -5.185 5.835 -6.174 599 HD3 ARG 75 2HD ARG 75 -5.725 4.413 -7.067 600 HE ARG 75 HE ARG 75 -7.410 4.984 -4.829 601 HH11 ARG 75 1HH1 ARG 75 -6.714 5.985 -8.117 602 HH12 ARG 75 2HH1 ARG 75 -8.336 6.507 -8.438 603 HH21 ARG 75 1HH2 ARG 75 -9.553 5.659 -5.263 604 HH22 ARG 75 2HH2 ARG 75 -9.950 6.307 -6.828 605 H ARG 76 H ARG 76 -3.335 0.873 -6.161 606 HA ARG 76 HA ARG 76 -5.744 -0.156 -5.041 607 HB2 ARG 76 1HB ARG 76 -3.999 -1.110 -7.304 608 HB3 ARG 76 2HB ARG 76 -5.498 -1.909 -6.838 609 HG2 ARG 76 1HG ARG 76 -6.697 0.225 -7.224 610 HG3 ARG 76 2HG ARG 76 -5.189 0.924 -7.813 611 HD2 ARG 76 1HD ARG 76 -6.431 -1.547 -8.994 612 HD3 ARG 76 2HD ARG 76 -6.791 0.080 -9.570 613 HE ARG 76 HE ARG 76 -4.087 -0.031 -9.665 614 HH11 ARG 76 1HH1 ARG 76 -6.581 -2.172 -10.817 615 HH12 ARG 76 2HH1 ARG 76 -5.747 -2.594 -12.284 616 HH21 ARG 76 1HH2 ARG 76 -2.942 -0.592 -11.583 617 HH22 ARG 76 2HH2 ARG 76 -3.647 -1.701 -12.713 618 H ARG 77 H ARG 77 -2.370 -1.012 -4.742 619 HA ARG 77 HA ARG 77 -2.946 -3.612 -3.644 620 HB2 ARG 77 1HB ARG 77 -0.725 -2.658 -4.791 621 HB3 ARG 77 2HB ARG 77 -0.320 -2.321 -3.113 622 HG2 ARG 77 1HG ARG 77 0.595 -4.428 -3.573 623 HG3 ARG 77 2HG ARG 77 -0.861 -4.742 -2.630 624 HD2 ARG 77 1HD ARG 77 -0.618 -4.939 -5.633 625 HD3 ARG 77 2HD ARG 77 -0.642 -6.296 -4.510 626 HE ARG 77 HE ARG 77 -2.967 -5.436 -3.925 627 HH11 ARG 77 1HH1 ARG 77 -1.503 -5.113 -7.078 628 HH12 ARG 77 2HH1 ARG 77 -3.017 -4.991 -7.925 629 HH21 ARG 77 1HH2 ARG 77 -4.997 -5.319 -5.043 630 HH22 ARG 77 2HH2 ARG 77 -4.994 -5.132 -6.772 631 H CYS 78 H CYS 78 -2.219 -0.392 -2.398 632 HA CYS 78 HA CYS 78 -2.159 -1.114 0.333 633 HB2 CYS 78 1HB CYS 78 -2.912 1.501 -0.988 634 HB3 CYS 78 2HB CYS 78 -2.696 1.294 0.747 635 HG CYS 78 HG CYS 78 -0.053 1.076 0.774 636 H GLY 79 H GLY 79 -4.798 -0.130 -1.830 637 HA2 GLY 79 1HA GLY 79 -6.890 -0.204 0.042 638 HA3 GLY 79 2HA GLY 79 -7.063 -0.498 -1.683 639 H GLU 80 H GLU 80 -5.306 -2.760 -1.750 640 HA GLU 80 HA GLU 80 -7.025 -4.885 -1.054 641 HB2 GLU 80 1HB GLU 80 -5.513 -5.209 -2.849 642 HB3 GLU 80 2HB GLU 80 -4.138 -4.692 -1.891 643 HG2 GLU 80 1HG GLU 80 -3.998 -7.036 -2.243 644 HG3 GLU 80 2HG GLU 80 -4.348 -6.739 -0.545 645 H VAL 81 H VAL 81 -4.083 -3.591 0.469 646 HA VAL 81 HA VAL 81 -4.010 -5.406 2.632 647 HB VAL 81 HB VAL 81 -2.985 -2.560 2.572 648 HG11 VAL 81 1HG1 VAL 81 -2.236 -4.880 4.349 649 HG12 VAL 81 2HG1 VAL 81 -3.144 -3.450 4.837 650 HG13 VAL 81 3HG1 VAL 81 -1.460 -3.295 4.339 651 HG21 VAL 81 3HG2 VAL 81 -2.034 -3.854 0.754 652 HG22 VAL 81 1HG2 VAL 81 -1.608 -5.152 1.871 653 HG23 VAL 81 2HG2 VAL 81 -0.818 -3.580 2.001 654 H PHE 82 H PHE 82 -5.549 -2.235 2.224 655 HA PHE 82 HA PHE 82 -6.584 -1.961 4.817 656 HB2 PHE 82 1HB PHE 82 -7.643 -0.967 2.166 657 HB3 PHE 82 2HB PHE 82 -8.353 -0.526 3.714 658 HD1 PHE 82 HD1 PHE 82 -5.925 -0.145 5.357 659 HD2 PHE 82 HD2 PHE 82 -6.777 1.020 1.356 660 HE1 PHE 82 HE1 PHE 82 -4.330 1.718 5.563 661 HE2 PHE 82 HE2 PHE 82 -5.180 2.878 1.551 662 HZ PHE 82 HZ PHE 82 -3.954 3.230 3.656 663 H ARG 83 H ARG 83 -7.941 -3.509 1.938 664 HA ARG 83 HA ARG 83 -10.379 -4.352 2.996 665 HB2 ARG 83 1HB ARG 83 -10.043 -4.596 0.660 666 HB3 ARG 83 2HB ARG 83 -8.566 -5.523 0.889 667 HG2 ARG 83 1HG ARG 83 -9.908 -7.365 1.834 668 HG3 ARG 83 2HG ARG 83 -11.371 -6.437 1.495 669 HD2 ARG 83 1HD ARG 83 -10.988 -6.536 -0.847 670 HD3 ARG 83 2HD ARG 83 -9.361 -7.177 -0.618 671 HE ARG 83 HE ARG 83 -10.719 -9.114 0.500 672 HH11 ARG 83 1HH1 ARG 83 -11.568 -7.305 -2.376 673 HH12 ARG 83 2HH1 ARG 83 -12.365 -8.649 -3.150 674 HH21 ARG 83 1HH2 ARG 83 -11.781 -10.885 -0.491 675 HH22 ARG 83 2HH2 ARG 83 -12.463 -10.695 -2.082 676 H TYR 84 H TYR 84 -7.250 -6.033 2.919 677 HA TYR 84 HA TYR 84 -7.974 -8.359 4.258 678 HB2 TYR 84 1HB TYR 84 -5.802 -7.962 3.107 679 HB3 TYR 84 2HB TYR 84 -5.329 -6.892 4.419 680 HD1 TYR 84 HD2 TYR 84 -5.969 -10.387 3.474 681 HD2 TYR 84 HD1 TYR 84 -4.576 -7.780 6.536 682 HE1 TYR 84 HE2 TYR 84 -5.016 -12.309 4.670 683 HE2 TYR 84 HE1 TYR 84 -3.610 -9.697 7.733 684 HH TYR 84 HH TYR 84 -3.661 -11.989 7.892 685 H ALA 85 H ALA 85 -6.920 -5.237 5.520 686 HA ALA 85 HA ALA 85 -6.775 -6.027 8.233 687 HB1 ALA 85 3HB ALA 85 -6.638 -3.656 8.732 688 HB2 ALA 85 1HB ALA 85 -7.155 -3.268 7.092 689 HB3 ALA 85 2HB ALA 85 -5.607 -4.068 7.361 690 H ILE 86 H ILE 86 -9.391 -4.659 6.282 691 HA ILE 86 HA ILE 86 -11.182 -4.234 8.440 692 HB ILE 86 HB ILE 86 -11.764 -4.739 5.514 693 HG12 ILE 86 1HG1 ILE 86 -11.683 -2.172 7.120 694 HG13 ILE 86 2HG1 ILE 86 -10.429 -2.712 6.008 695 HG21 ILE 86 1HG2 ILE 86 -13.982 -3.776 5.969 696 HG22 ILE 86 2HG2 ILE 86 -13.597 -3.736 7.690 697 HG23 ILE 86 3HG2 ILE 86 -13.720 -5.282 6.850 698 HD11 ILE 86 3HD1 ILE 86 -13.263 -2.012 5.273 699 HD12 ILE 86 1HD1 ILE 86 -12.015 -2.560 4.154 700 HD13 ILE 86 2HD1 ILE 86 -11.832 -1.019 4.993 701 H VAL 87 H VAL 87 -10.620 -6.961 6.268 702 HA VAL 87 HA VAL 87 -12.692 -8.609 7.291 703 HB VAL 87 HB VAL 87 -10.154 -9.408 5.848 704 HG11 VAL 87 1HG1 VAL 87 -11.351 -11.457 5.265 705 HG12 VAL 87 2HG1 VAL 87 -12.723 -10.941 6.247 706 HG13 VAL 87 3HG1 VAL 87 -11.174 -11.296 7.011 707 HG21 VAL 87 3HG2 VAL 87 -11.515 -7.833 4.571 708 HG22 VAL 87 1HG2 VAL 87 -12.926 -8.870 4.784 709 HG23 VAL 87 2HG2 VAL 87 -11.548 -9.439 3.840 710 H THR 88 H THR 88 -9.332 -8.104 8.203 711 HA THR 88 HA THR 88 -9.362 -10.301 10.090 712 HB THR 88 HB THR 88 -7.080 -9.347 10.733 713 HG1 THR 88 HG1 THR 88 -7.256 -7.941 8.289 714 HG21 THR 88 3HG2 THR 88 -7.353 -11.266 9.243 715 HG22 THR 88 1HG2 THR 88 -6.004 -10.250 8.733 716 HG23 THR 88 2HG2 THR 88 -7.541 -10.176 7.868 717 H GLY 89 H GLY 89 -10.694 -7.324 10.136 718 HA2 GLY 89 1HA GLY 89 -11.708 -6.150 11.833 719 HA3 GLY 89 2HA GLY 89 -11.225 -7.435 12.928 720 H ARG 90 H ARG 90 -8.950 -5.630 10.985 721 HA ARG 90 HA ARG 90 -7.934 -4.394 13.459 722 HB2 ARG 90 1HB ARG 90 -6.469 -5.309 10.987 723 HB3 ARG 90 2HB ARG 90 -5.732 -4.291 12.218 724 HG2 ARG 90 1HG ARG 90 -6.137 -6.044 13.888 725 HG3 ARG 90 2HG ARG 90 -6.821 -7.069 12.622 726 HD2 ARG 90 1HD ARG 90 -4.720 -7.102 11.450 727 HD3 ARG 90 2HD ARG 90 -4.029 -5.940 12.580 728 HE ARG 90 HE ARG 90 -4.880 -8.152 14.058 729 HH11 ARG 90 1HH1 ARG 90 -2.524 -7.382 11.599 730 HH12 ARG 90 2HH1 ARG 90 -1.390 -8.597 12.101 731 HH21 ARG 90 1HH2 ARG 90 -3.397 -9.756 14.743 732 HH22 ARG 90 2HH2 ARG 90 -1.883 -9.941 13.906 733 H ALA 91 H ALA 91 -9.557 -3.699 10.659 734 HA ALA 91 HA ALA 91 -8.847 -0.871 10.959 735 HB1 ALA 91 3HB ALA 91 -8.851 -0.515 8.549 736 HB2 ALA 91 1HB ALA 91 -9.095 -2.240 8.285 737 HB3 ALA 91 2HB ALA 91 -7.597 -1.663 9.015 738 H LYS 92 H LYS 92 -10.548 0.408 11.100 739 HA LYS 92 HA LYS 92 -13.201 -0.728 10.638 740 HB2 LYS 92 1HB LYS 92 -12.777 0.284 12.823 741 HB3 LYS 92 2HB LYS 92 -12.320 1.796 12.055 742 HG2 LYS 92 1HG LYS 92 -14.624 1.999 11.179 743 HG3 LYS 92 2HG LYS 92 -15.053 0.535 12.067 744 HD2 LYS 92 1HD LYS 92 -14.484 1.609 14.167 745 HD3 LYS 92 2HD LYS 92 -13.960 3.059 13.308 746 HE2 LYS 92 1HE LYS 92 -16.179 3.382 14.230 747 HE3 LYS 92 2HE LYS 92 -16.242 3.372 12.467 748 HZ1 LYS 92 3HZ LYS 92 -18.026 2.078 13.610 749 HZ2 LYS 92 1HZ LYS 92 -16.838 0.985 14.131 750 HZ3 LYS 92 2HZ LYS 92 -17.134 1.195 12.476 751 H TYR 93 H TYR 93 -11.075 1.828 9.585 752 HA TYR 93 HA TYR 93 -12.818 2.398 7.318 753 HB2 TYR 93 1HB TYR 93 -13.454 4.100 8.926 754 HB3 TYR 93 2HB TYR 93 -11.770 4.482 9.251 755 HD1 TYR 93 HD2 TYR 93 -14.372 4.602 6.595 756 HD2 TYR 93 HD1 TYR 93 -10.661 6.129 8.008 757 HE1 TYR 93 HE2 TYR 93 -14.441 6.357 4.873 758 HE2 TYR 93 HE1 TYR 93 -10.721 7.885 6.294 759 HH TYR 93 HH TYR 93 -11.718 8.376 4.184 760 H ASN 94 H ASN 94 -11.685 3.023 5.482 761 HA ASN 94 HA ASN 94 -8.764 3.137 5.771 762 HB2 ASN 94 1HB ASN 94 -8.558 2.065 3.572 763 HB3 ASN 94 2HB ASN 94 -9.407 1.035 4.713 764 HD21 ASN 94 2HD2 ASN 94 -9.400 0.993 1.808 765 HD22 ASN 94 1HD2 ASN 94 -11.053 1.150 1.321 766 HA PRO 95 HA PRO 95 -9.228 7.127 3.931 767 HB2 PRO 95 1HB PRO 95 -6.621 7.706 3.578 768 HB3 PRO 95 2HB PRO 95 -7.367 7.656 5.180 769 HG2 PRO 95 1HG PRO 95 -5.686 5.601 3.803 770 HG3 PRO 95 2HG PRO 95 -5.650 6.129 5.495 771 HD2 PRO 95 1HD PRO 95 -6.888 3.843 4.647 772 HD3 PRO 95 2HD PRO 95 -7.377 4.752 6.090 773 H ALA 96 H ALA 96 -9.453 4.803 2.137 774 HA ALA 96 HA ALA 96 -7.791 5.171 -0.134 775 HB1 ALA 96 3HB ALA 96 -10.461 3.783 0.037 776 HB2 ALA 96 1HB ALA 96 -8.891 3.043 0.346 777 HB3 ALA 96 2HB ALA 96 -9.286 3.630 -1.270 778 HA PRO 97 HA PRO 97 -11.618 7.668 -1.939 779 HB2 PRO 97 1HB PRO 97 -13.043 8.946 0.056 780 HB3 PRO 97 2HB PRO 97 -13.579 7.484 -0.778 781 HG2 PRO 97 1HG PRO 97 -12.229 7.772 1.875 782 HG3 PRO 97 2HG PRO 97 -13.563 6.700 1.404 783 HD2 PRO 97 1HD PRO 97 -11.061 5.784 1.637 784 HD3 PRO 97 2HD PRO 97 -12.143 5.189 0.361 785 H ASP 98 H ASP 98 -10.105 8.535 1.137 786 HA ASP 98 HA ASP 98 -9.819 11.306 0.619 787 HB2 ASP 98 1HB ASP 98 -8.158 9.521 2.412 788 HB3 ASP 98 2HB ASP 98 -8.204 11.279 2.467 789 H LEU 99 H LEU 99 -7.781 8.500 0.070 790 HA LEU 99 HA LEU 99 -5.466 9.681 -0.897 791 HB2 LEU 99 1HB LEU 99 -5.754 7.281 -0.447 792 HB3 LEU 99 2HB LEU 99 -6.848 7.146 -1.803 793 HG LEU 99 HG LEU 99 -4.502 6.255 -2.135 794 HD11 LEU 99 1HD1 LEU 99 -5.981 6.673 -4.013 795 HD12 LEU 99 2HD1 LEU 99 -4.314 7.079 -4.421 796 HD13 LEU 99 3HD1 LEU 99 -5.470 8.361 -4.057 797 HD21 LEU 99 3HD2 LEU 99 -2.791 7.902 -2.746 798 HD22 LEU 99 1HD2 LEU 99 -3.260 8.007 -1.049 799 HD23 LEU 99 2HD2 LEU 99 -3.866 9.194 -2.207 800 H ALA 100 H ALA 100 -8.402 8.761 -2.663 801 HA ALA 100 HA ALA 100 -7.491 9.770 -5.169 802 HB1 ALA 100 3HB ALA 100 -9.164 7.988 -4.993 803 HB2 ALA 100 1HB ALA 100 -9.759 9.352 -5.939 804 HB3 ALA 100 2HB ALA 100 -10.298 9.132 -4.274 805 H ASP 101 H ASP 101 -9.056 11.143 -2.425 806 HA ASP 101 HA ASP 101 -10.240 13.385 -3.689 807 HB2 ASP 101 1HB ASP 101 -10.811 12.515 -1.395 808 HB3 ASP 101 2HB ASP 101 -9.299 13.219 -0.825 809 H ALA 102 H ALA 102 -7.222 13.003 -1.870 810 HA ALA 102 HA ALA 102 -6.251 15.613 -2.371 811 HB1 ALA 102 3HB ALA 102 -4.690 13.104 -1.766 812 HB2 ALA 102 1HB ALA 102 -5.349 14.229 -0.578 813 HB3 ALA 102 2HB ALA 102 -4.070 14.753 -1.678 814 H MET 103 H MET 103 -5.945 12.568 -4.104 815 HA MET 103 HA MET 103 -4.053 13.243 -6.003 816 HB2 MET 103 1HB MET 103 -5.084 10.988 -5.688 817 HB3 MET 103 2HB MET 103 -6.527 11.579 -6.498 818 HG2 MET 103 1HG MET 103 -5.162 12.027 -8.513 819 HG3 MET 103 2HG MET 103 -3.774 11.317 -7.687 820 HE1 MET 103 3HE MET 103 -4.801 7.600 -7.278 821 HE2 MET 103 1HE MET 103 -4.965 8.908 -6.106 822 HE3 MET 103 2HE MET 103 -3.514 8.793 -7.101 823 H LYS 104 H LYS 104 -7.513 13.971 -5.975 824 HA LYS 104 HA LYS 104 -7.567 15.150 -8.567 825 HB2 LYS 104 1HB LYS 104 -9.432 15.694 -6.255 826 HB3 LYS 104 2HB LYS 104 -9.735 16.064 -7.946 827 HG2 LYS 104 1HG LYS 104 -9.572 13.595 -8.397 828 HG3 LYS 104 2HG LYS 104 -9.571 13.363 -6.647 829 HD2 LYS 104 1HD LYS 104 -11.708 14.776 -6.652 830 HD3 LYS 104 2HD LYS 104 -11.741 14.486 -8.392 831 HE2 LYS 104 1HE LYS 104 -13.110 12.829 -7.379 832 HE3 LYS 104 2HE LYS 104 -11.620 12.033 -7.886 833 HZ1 LYS 104 3HZ LYS 104 -12.253 12.951 -5.130 834 HZ2 LYS 104 1HZ LYS 104 -10.810 12.199 -5.610 835 HZ3 LYS 104 2HZ LYS 104 -12.274 11.342 -5.671 836 H GLY 105 H GLY 105 -7.279 16.486 -5.308 837 HA2 GLY 105 1HA GLY 105 -7.157 19.206 -6.112 838 HA3 GLY 105 2HA GLY 105 -6.624 18.565 -4.563 839 H TYR 106 H TYR 106 -4.837 16.670 -5.985 840 HA TYR 106 HA TYR 106 -2.484 18.245 -6.041 841 HB2 TYR 106 1HB TYR 106 -2.574 15.833 -5.409 842 HB3 TYR 106 2HB TYR 106 -2.912 15.437 -7.091 843 HD1 TYR 106 HD2 TYR 106 -0.407 17.368 -5.103 844 HD2 TYR 106 HD1 TYR 106 -1.140 14.753 -8.375 845 HE1 TYR 106 HE2 TYR 106 2.010 17.263 -5.552 846 HE2 TYR 106 HE1 TYR 106 1.273 14.632 -8.828 847 HH TYR 106 HH TYR 106 3.284 15.452 -8.333 848 H ARG 107 H ARG 107 -4.416 16.682 -8.582 849 HA ARG 107 HA ARG 107 -2.805 17.707 -10.721 850 HB2 ARG 107 1HB ARG 107 -4.053 15.614 -10.961 851 HB3 ARG 107 2HB ARG 107 -5.569 16.472 -10.737 852 HG2 ARG 107 1HG ARG 107 -5.272 17.647 -12.808 853 HG3 ARG 107 2HG ARG 107 -3.666 16.948 -13.019 854 HD2 ARG 107 1HD ARG 107 -5.493 15.869 -14.365 855 HD3 ARG 107 2HD ARG 107 -4.568 14.772 -13.340 856 HE ARG 107 HE ARG 107 -6.476 14.305 -12.175 857 HH11 ARG 107 1HH1 ARG 107 -6.995 17.254 -14.014 858 HH12 ARG 107 2HH1 ARG 107 -8.670 17.371 -13.581 859 HH21 ARG 107 1HH2 ARG 107 -8.676 14.451 -11.644 860 HH22 ARG 107 2HH2 ARG 107 -9.628 15.787 -12.214 861 H LYS 108 H LYS 108 -5.169 19.014 -8.730 862 HA LYS 108 HA LYS 108 -6.301 20.975 -10.447 863 HB2 LYS 108 1HB LYS 108 -7.343 20.340 -8.335 864 HB3 LYS 108 2HB LYS 108 -5.931 20.878 -7.445 865 HG2 LYS 108 1HG LYS 108 -6.409 23.195 -8.275 866 HG3 LYS 108 2HG LYS 108 -7.941 22.571 -8.902 867 HD2 LYS 108 1HD LYS 108 -8.541 21.803 -6.656 868 HD3 LYS 108 2HD LYS 108 -7.021 22.442 -6.031 869 HE2 LYS 108 1HE LYS 108 -7.727 24.701 -6.752 870 HE3 LYS 108 2HE LYS 108 -9.277 24.023 -7.256 871 HZ1 LYS 108 3HZ LYS 108 -9.614 23.271 -4.954 872 HZ2 LYS 108 1HZ LYS 108 -9.476 24.959 -5.062 873 HZ3 LYS 108 2HZ LYS 108 -8.172 24.035 -4.498 874 H LYS 109 H LYS 109 -3.314 20.655 -8.732 875 HA LYS 109 HA LYS 109 -2.632 23.475 -9.090 876 HB2 LYS 109 1HB LYS 109 -1.267 21.220 -7.617 877 HB3 LYS 109 2HB LYS 109 -0.551 22.813 -7.814 878 HG2 LYS 109 1HG LYS 109 -2.352 23.826 -6.575 879 HG3 LYS 109 2HG LYS 109 -3.189 22.276 -6.471 880 HD2 LYS 109 1HD LYS 109 -1.433 21.360 -5.107 881 HD3 LYS 109 2HD LYS 109 -0.453 22.813 -5.322 882 HE2 LYS 109 1HE LYS 109 -2.065 24.132 -4.109 883 HE3 LYS 109 2HE LYS 109 -3.164 22.758 -4.007 884 HZ1 LYS 109 3HZ LYS 109 -1.670 21.627 -2.572 885 HZ2 LYS 109 1HZ LYS 109 -1.871 23.192 -1.957 886 HZ3 LYS 109 2HZ LYS 109 -0.454 22.787 -2.796 887 H ASN 110 H ASN 110 -0.722 24.111 -10.162 888 HA ASN 110 HA ASN 110 0.111 22.214 -12.246 889 HB2 ASN 110 1HB ASN 110 0.102 25.234 -12.199 890 HB3 ASN 110 2HB ASN 110 0.945 24.299 -13.432 891 HD21 ASN 110 2HD2 ASN 110 -2.139 25.237 -12.155 892 HD22 ASN 110 1HD2 ASN 110 -3.092 24.685 -13.484 893 H LEU 111 H LEU 111 1.696 21.145 -11.176 894 HA LEU 111 HA LEU 111 3.636 22.314 -9.529 895 HB2 LEU 111 1HB LEU 111 3.052 19.899 -9.589 896 HB3 LEU 111 2HB LEU 111 3.863 19.769 -11.136 897 HG LEU 111 HG LEU 111 6.003 20.300 -10.104 898 HD11 LEU 111 1HD1 LEU 111 4.433 20.499 -7.534 899 HD12 LEU 111 2HD1 LEU 111 5.259 21.818 -8.365 900 HD13 LEU 111 3HD1 LEU 111 6.192 20.499 -7.658 901 HD21 LEU 111 3HD2 LEU 111 4.500 18.157 -8.601 902 HD22 LEU 111 1HD2 LEU 111 6.253 18.293 -8.727 903 HD23 LEU 111 2HD2 LEU 111 5.289 17.964 -10.166 904 H GLU 112 H GLU 112 5.384 23.431 -9.941 905 HA GLU 112 HA GLU 112 6.008 24.522 -12.407 906 HB2 GLU 112 1HB GLU 112 6.691 25.518 -10.304 907 HB3 GLU 112 2HB GLU 112 7.739 24.151 -9.962 908 HG2 GLU 112 1HG GLU 112 9.107 24.754 -11.923 909 HG3 GLU 112 2HG GLU 112 8.092 26.182 -12.151 910 H HIS 113 H HIS 113 7.582 21.816 -10.729 911 HA HIS 113 HA HIS 113 8.996 21.150 -13.210 912 HB2 HIS 113 1HB HIS 113 9.395 20.283 -10.349 913 HB3 HIS 113 2HB HIS 113 10.157 19.441 -11.691 914 HD1 HIS 113 HD1 HIS 113 10.290 22.626 -9.741 915 HD2 HIS 113 HD2 HIS 113 12.286 20.796 -12.898 916 HE1 HIS 113 HE1 HIS 113 12.394 23.957 -10.073 917 HE2 HIS 113 HE2 HIS 113 13.673 22.724 -11.858 918 H HIS 114 H HIS 114 7.571 20.057 -14.481 919 HA HIS 114 HA HIS 114 5.660 18.203 -13.508 920 HB2 HIS 114 1HB HIS 114 6.850 18.581 -16.258 921 HB3 HIS 114 2HB HIS 114 5.570 17.421 -15.911 922 HD1 HIS 114 HD1 HIS 114 6.233 21.084 -16.248 923 HD2 HIS 114 HD2 HIS 114 3.037 18.544 -15.441 924 HE1 HIS 114 HE1 HIS 114 4.169 22.513 -16.420 925 HE2 HIS 114 HE2 HIS 114 2.256 20.991 -15.806 926 H HIS 115 H HIS 115 8.988 17.924 -14.559 927 HA HIS 115 HA HIS 115 9.010 15.174 -13.523 928 HB2 HIS 115 1HB HIS 115 11.190 16.792 -14.879 929 HB3 HIS 115 2HB HIS 115 11.391 15.152 -14.273 930 HD1 HIS 115 HD1 HIS 115 10.995 16.757 -17.331 931 HD2 HIS 115 HD2 HIS 115 9.130 13.472 -15.597 932 HE1 HIS 115 HE1 HIS 115 9.996 15.462 -19.238 933 HE2 HIS 115 HE2 HIS 115 9.028 13.386 -18.184 934 H HIS 116 H HIS 116 9.328 14.994 -11.408 935 HA HIS 116 HA HIS 116 9.595 17.266 -9.801 936 HB2 HIS 116 1HB HIS 116 8.417 15.176 -9.161 937 HB3 HIS 116 2HB HIS 116 9.979 14.391 -8.960 938 HD1 HIS 116 HD1 HIS 116 10.490 14.183 -6.574 939 HD2 HIS 116 HD2 HIS 116 8.569 17.778 -7.422 940 HE1 HIS 116 HE1 HIS 116 10.321 15.403 -4.378 941 HE2 HIS 116 HE2 HIS 116 9.367 17.655 -4.960 942 H HIS 117 H HIS 117 12.048 15.418 -11.277 943 HA HIS 117 HA HIS 117 14.057 16.560 -9.459 944 HB2 HIS 117 1HB HIS 117 14.360 14.425 -11.589 945 HB3 HIS 117 2HB HIS 117 15.678 15.059 -10.609 946 HD1 HIS 117 HD1 HIS 117 15.538 14.515 -7.992 947 HD2 HIS 117 HD2 HIS 117 12.903 12.424 -10.437 948 HE1 HIS 117 HE1 HIS 117 14.717 12.584 -6.609 949 HE2 HIS 117 HE2 HIS 117 12.921 11.506 -8.016 950 H HIS 118 H HIS 118 14.122 15.799 -12.918 951 HA HIS 118 HA HIS 118 14.298 18.603 -13.622 952 HB2 HIS 118 1HB HIS 118 16.609 16.727 -13.832 953 HB3 HIS 118 2HB HIS 118 16.355 17.877 -15.142 954 HD1 HIS 118 HD1 HIS 118 18.042 17.569 -12.005 955 HD2 HIS 118 HD2 HIS 118 16.134 20.659 -14.028 956 HE1 HIS 118 HE1 HIS 118 18.909 19.688 -10.974 957 HE2 HIS 118 HE2 HIS 118 17.902 21.538 -12.355 Start of MODEL 19 1 H1 SER 1 1H SER 1 4.619 -5.906 23.236 2 H2 SER 1 2H SER 1 5.546 -6.706 22.064 3 H3 SER 1 3H SER 1 4.396 -7.564 22.965 4 HA SER 1 HA SER 1 2.624 -6.281 21.986 5 HB2 SER 1 1HB SER 1 4.826 -5.091 20.279 6 HB3 SER 1 2HB SER 1 3.099 -4.769 20.125 7 HG SER 1 HG SER 1 4.450 -3.208 21.372 8 H SER 2 H SER 2 2.054 -8.369 21.463 9 HA SER 2 HA SER 2 3.350 -9.728 19.254 10 HB2 SER 2 1HB SER 2 2.454 -10.966 21.243 11 HB3 SER 2 2HB SER 2 0.829 -10.478 20.767 12 HG SER 2 HG SER 2 1.251 -11.578 18.738 13 H ASN 3 H ASN 3 0.267 -8.200 20.017 14 HA ASN 3 HA ASN 3 -0.744 -8.420 17.328 15 HB2 ASN 3 1HB ASN 3 -2.255 -8.384 19.289 16 HB3 ASN 3 2HB ASN 3 -1.719 -6.750 19.662 17 HD21 ASN 3 2HD2 ASN 3 -2.359 -5.043 18.315 18 HD22 ASN 3 1HD2 ASN 3 -3.710 -5.196 17.241 19 H ASN 4 H ASN 4 0.571 -7.360 15.907 20 HA ASN 4 HA ASN 4 1.255 -4.569 16.505 21 HB2 ASN 4 1HB ASN 4 3.031 -6.306 15.833 22 HB3 ASN 4 2HB ASN 4 2.349 -6.197 14.214 23 HD21 ASN 4 2HD2 ASN 4 5.002 -5.497 15.116 24 HD22 ASN 4 1HD2 ASN 4 5.225 -3.817 14.754 25 H ASN 5 H ASN 5 0.176 -2.990 15.528 26 HA ASN 5 HA ASN 5 -1.649 -3.733 13.347 27 HB2 ASN 5 1HB ASN 5 -3.032 -1.863 14.023 28 HB3 ASN 5 2HB ASN 5 -2.690 -2.872 15.423 29 HD21 ASN 5 2HD2 ASN 5 -3.472 -0.059 15.225 30 HD22 ASN 5 1HD2 ASN 5 -2.241 0.844 16.051 31 H SER 6 H SER 6 1.299 -2.627 13.416 32 HA SER 6 HA SER 6 1.152 -0.185 11.963 33 HB2 SER 6 1HB SER 6 3.539 -0.647 11.408 34 HB3 SER 6 2HB SER 6 3.198 -0.775 13.133 35 HG SER 6 HG SER 6 3.519 -2.880 13.073 36 H PHE 7 H PHE 7 1.634 0.130 9.713 37 HA PHE 7 HA PHE 7 0.090 -1.504 8.038 38 HB2 PHE 7 1HB PHE 7 0.676 0.920 7.652 39 HB3 PHE 7 2HB PHE 7 2.270 0.383 7.134 40 HD1 PHE 7 HD1 PHE 7 -1.290 0.486 6.300 41 HD2 PHE 7 HD2 PHE 7 2.580 -0.730 5.014 42 HE1 PHE 7 HE1 PHE 7 -2.155 0.149 4.022 43 HE2 PHE 7 HE2 PHE 7 1.720 -1.068 2.736 44 HZ PHE 7 HZ PHE 7 -0.649 -0.628 2.237 45 H SER 8 H SER 8 3.587 -1.360 8.577 46 HA SER 8 HA SER 8 4.372 -3.146 6.568 47 HB2 SER 8 1HB SER 8 6.014 -1.780 7.688 48 HB3 SER 8 2HB SER 8 5.633 -2.512 9.245 49 HG SER 8 HG SER 8 6.974 -3.659 7.021 50 H ALA 9 H ALA 9 3.271 -3.733 9.876 51 HA ALA 9 HA ALA 9 3.929 -6.489 9.944 52 HB1 ALA 9 3HB ALA 9 1.841 -4.995 11.526 53 HB2 ALA 9 1HB ALA 9 3.535 -5.189 11.974 54 HB3 ALA 9 2HB ALA 9 2.475 -6.597 11.901 55 H ILE 10 H ILE 10 0.925 -4.761 9.177 56 HA ILE 10 HA ILE 10 -0.545 -7.163 8.684 57 HB ILE 10 HB ILE 10 -1.194 -4.320 7.885 58 HG12 ILE 10 1HG1 ILE 10 -2.034 -5.985 10.270 59 HG13 ILE 10 2HG1 ILE 10 -0.953 -4.597 10.305 60 HG21 ILE 10 1HG2 ILE 10 -2.948 -6.776 7.991 61 HG22 ILE 10 2HG2 ILE 10 -2.437 -5.917 6.537 62 HG23 ILE 10 3HG2 ILE 10 -3.511 -5.131 7.693 63 HD11 ILE 10 3HD1 ILE 10 -2.795 -3.157 9.594 64 HD12 ILE 10 1HD1 ILE 10 -3.159 -4.001 11.098 65 HD13 ILE 10 2HD1 ILE 10 -3.873 -4.553 9.581 66 H TYR 11 H TYR 11 1.251 -4.873 6.697 67 HA TYR 11 HA TYR 11 0.631 -5.912 4.169 68 HB2 TYR 11 1HB TYR 11 1.846 -4.023 3.860 69 HB3 TYR 11 2HB TYR 11 2.780 -4.253 5.332 70 HD1 TYR 11 HD2 TYR 11 2.460 -5.744 1.902 71 HD2 TYR 11 HD1 TYR 11 5.024 -4.686 5.128 72 HE1 TYR 11 HE2 TYR 11 4.413 -6.448 0.578 73 HE2 TYR 11 HE1 TYR 11 6.974 -5.385 3.814 74 HH TYR 11 HH TYR 11 7.562 -6.740 1.982 75 H LYS 12 H LYS 12 3.037 -6.921 6.566 76 HA LYS 12 HA LYS 12 4.290 -8.872 4.966 77 HB2 LYS 12 1HB LYS 12 4.735 -7.859 7.456 78 HB3 LYS 12 2HB LYS 12 4.099 -9.448 7.853 79 HG2 LYS 12 1HG LYS 12 6.457 -8.886 6.068 80 HG3 LYS 12 2HG LYS 12 6.528 -9.464 7.733 81 HD2 LYS 12 1HD LYS 12 5.382 -11.512 7.085 82 HD3 LYS 12 2HD LYS 12 5.238 -10.923 5.429 83 HE2 LYS 12 1HE LYS 12 7.084 -12.494 5.624 84 HE3 LYS 12 2HE LYS 12 7.678 -10.879 5.235 85 HZ1 LYS 12 3HZ LYS 12 9.044 -11.887 6.922 86 HZ2 LYS 12 1HZ LYS 12 7.696 -12.153 7.919 87 HZ3 LYS 12 2HZ LYS 12 8.212 -10.570 7.586 88 H GLU 13 H GLU 13 1.597 -9.065 7.262 89 HA GLU 13 HA GLU 13 1.027 -11.798 7.013 90 HB2 GLU 13 1HB GLU 13 0.061 -10.345 8.748 91 HB3 GLU 13 2HB GLU 13 -0.859 -9.487 7.522 92 HG2 GLU 13 1HG GLU 13 -2.322 -10.996 8.626 93 HG3 GLU 13 2HG GLU 13 -2.031 -11.611 7.001 94 H TRP 14 H TRP 14 -0.320 -9.000 5.303 95 HA TRP 14 HA TRP 14 -1.985 -10.326 3.511 96 HB2 TRP 14 1HB TRP 14 -2.149 -7.955 3.752 97 HB3 TRP 14 2HB TRP 14 -0.460 -7.724 3.317 98 HD1 TRP 14 HD1 TRP 14 -3.828 -8.700 1.666 99 HE1 TRP 14 HE1 TRP 14 -3.709 -8.036 -0.825 100 HE3 TRP 14 HE3 TRP 14 1.046 -7.173 1.473 101 HZ2 TRP 14 HZ2 TRP 14 -1.789 -7.006 -2.622 102 HZ3 TRP 14 HZ3 TRP 14 1.946 -6.364 -0.663 103 HH2 TRP 14 HH2 TRP 14 0.559 -6.281 -2.670 104 H TYR 15 H TYR 15 1.416 -9.357 3.124 105 HA TYR 15 HA TYR 15 1.827 -10.273 0.537 106 HB2 TYR 15 1HB TYR 15 3.519 -8.922 1.514 107 HB3 TYR 15 2HB TYR 15 3.720 -10.027 2.872 108 HD1 TYR 15 HD1 TYR 15 3.913 -10.133 -0.868 109 HD2 TYR 15 HD2 TYR 15 5.597 -11.363 2.841 110 HE1 TYR 15 HE1 TYR 15 5.703 -11.307 -2.077 111 HE2 TYR 15 HE2 TYR 15 7.395 -12.536 1.643 112 HH TYR 15 HH TYR 15 8.034 -12.079 -1.635 113 H GLU 16 H GLU 16 2.344 -12.044 3.595 114 HA GLU 16 HA GLU 16 3.334 -14.374 2.370 115 HB2 GLU 16 1HB GLU 16 2.090 -13.857 5.053 116 HB3 GLU 16 2HB GLU 16 2.582 -15.474 4.565 117 HG2 GLU 16 1HG GLU 16 4.870 -14.614 4.183 118 HG3 GLU 16 2HG GLU 16 4.347 -13.051 4.814 119 H HIS 17 H HIS 17 0.079 -13.259 2.897 120 HA HIS 17 HA HIS 17 -1.105 -15.816 2.335 121 HB2 HIS 17 1HB HIS 17 -2.212 -14.051 3.736 122 HB3 HIS 17 2HB HIS 17 -2.440 -13.105 2.268 123 HD1 HIS 17 HD1 HIS 17 -3.243 -16.671 3.363 124 HD2 HIS 17 HD2 HIS 17 -4.896 -13.505 1.232 125 HE1 HIS 17 HE1 HIS 17 -5.530 -17.447 2.657 126 HE2 HIS 17 HE2 HIS 17 -6.587 -15.430 1.581 127 H LYS 18 H LYS 18 -0.573 -12.800 0.531 128 HA LYS 18 HA LYS 18 -1.784 -13.749 -1.879 129 HB2 LYS 18 1HB LYS 18 0.301 -11.578 -1.619 130 HB3 LYS 18 2HB LYS 18 -0.850 -11.788 -2.929 131 HG2 LYS 18 1HG LYS 18 -1.571 -11.114 -0.087 132 HG3 LYS 18 2HG LYS 18 -1.427 -9.950 -1.400 133 HD2 LYS 18 1HD LYS 18 -3.368 -12.257 -1.312 134 HD3 LYS 18 2HD LYS 18 -3.760 -10.576 -0.951 135 HE2 LYS 18 1HE LYS 18 -2.816 -10.103 -3.317 136 HE3 LYS 18 2HE LYS 18 -3.054 -11.832 -3.579 137 HZ1 LYS 18 3HZ LYS 18 -5.413 -11.361 -2.695 138 HZ2 LYS 18 1HZ LYS 18 -5.037 -10.903 -4.288 139 HZ3 LYS 18 2HZ LYS 18 -5.063 -9.736 -3.059 140 H LYS 19 H LYS 19 1.308 -14.044 -0.403 141 HA LYS 19 HA LYS 19 2.924 -14.628 -2.618 142 HB2 LYS 19 1HB LYS 19 3.763 -14.094 -0.353 143 HB3 LYS 19 2HB LYS 19 3.164 -15.641 0.225 144 HG2 LYS 19 1HG LYS 19 4.731 -16.815 -1.181 145 HG3 LYS 19 2HG LYS 19 5.280 -15.292 -1.884 146 HD2 LYS 19 1HD LYS 19 6.092 -14.562 0.286 147 HD3 LYS 19 2HD LYS 19 5.492 -16.048 1.027 148 HE2 LYS 19 1HE LYS 19 7.026 -17.360 -0.324 149 HE3 LYS 19 2HE LYS 19 7.589 -15.900 -1.136 150 HZ1 LYS 19 3HZ LYS 19 8.557 -15.117 0.860 151 HZ2 LYS 19 1HZ LYS 19 9.049 -16.730 0.685 152 HZ3 LYS 19 2HZ LYS 19 7.824 -16.331 1.788 153 H GLN 20 H GLN 20 0.411 -16.436 -1.184 154 HA GLN 20 HA GLN 20 1.406 -19.029 -1.944 155 HB2 GLN 20 1HB GLN 20 -1.409 -18.244 -1.175 156 HB3 GLN 20 2HB GLN 20 -0.740 -19.872 -1.199 157 HG2 GLN 20 1HG GLN 20 0.036 -17.623 0.645 158 HG3 GLN 20 2HG GLN 20 -0.860 -19.082 1.064 159 HE21 GLN 20 2HE2 GLN 20 1.671 -17.985 2.083 160 HE22 GLN 20 1HE2 GLN 20 2.836 -19.257 1.896 161 H VAL 21 H VAL 21 -0.521 -16.525 -3.401 162 HA VAL 21 HA VAL 21 -1.332 -18.345 -5.555 163 HB VAL 21 HB VAL 21 -2.862 -16.559 -6.287 164 HG11 VAL 21 1HG1 VAL 21 -3.145 -17.295 -3.377 165 HG12 VAL 21 2HG1 VAL 21 -3.647 -18.279 -4.751 166 HG13 VAL 21 3HG1 VAL 21 -4.442 -16.738 -4.433 167 HG21 VAL 21 3HG2 VAL 21 -1.882 -15.099 -3.836 168 HG22 VAL 21 1HG2 VAL 21 -3.264 -14.623 -4.822 169 HG23 VAL 21 2HG2 VAL 21 -1.643 -14.611 -5.515 170 H TRP 22 H TRP 22 1.041 -16.093 -4.850 171 HA TRP 22 HA TRP 22 1.451 -15.402 -7.676 172 HB2 TRP 22 1HB TRP 22 2.791 -14.313 -5.187 173 HB3 TRP 22 2HB TRP 22 3.153 -13.806 -6.830 174 HD1 TRP 22 HD1 TRP 22 -0.232 -13.866 -7.406 175 HE1 TRP 22 HE1 TRP 22 -1.482 -11.721 -6.708 176 HE3 TRP 22 HE3 TRP 22 3.263 -11.882 -4.244 177 HZ2 TRP 22 HZ2 TRP 22 -1.033 -9.490 -5.048 178 HZ3 TRP 22 HZ3 TRP 22 2.777 -9.735 -3.147 179 HH2 TRP 22 HH2 TRP 22 0.672 -8.564 -3.542 180 H SER 23 H SER 23 3.593 -15.652 -8.582 181 HA SER 23 HA SER 23 5.025 -17.971 -7.673 182 HB2 SER 23 1HB SER 23 6.660 -17.194 -9.517 183 HB3 SER 23 2HB SER 23 5.042 -17.681 -10.025 184 HG SER 23 HG SER 23 6.084 -15.529 -10.748 185 H VAL 24 H VAL 24 6.895 -18.010 -6.491 186 HA VAL 24 HA VAL 24 7.192 -16.001 -4.595 187 HB VAL 24 HB VAL 24 9.238 -18.102 -5.317 188 HG11 VAL 24 1HG1 VAL 24 8.779 -16.589 -2.747 189 HG12 VAL 24 2HG1 VAL 24 10.129 -16.358 -3.858 190 HG13 VAL 24 3HG1 VAL 24 9.954 -17.882 -2.988 191 HG21 VAL 24 3HG2 VAL 24 7.041 -19.074 -4.925 192 HG22 VAL 24 1HG2 VAL 24 6.917 -18.203 -3.398 193 HG23 VAL 24 2HG2 VAL 24 8.139 -19.460 -3.599 194 H GLY 25 H GLY 25 9.074 -16.580 -7.538 195 HA2 GLY 25 1HA GLY 25 11.090 -14.684 -7.129 196 HA3 GLY 25 2HA GLY 25 10.480 -15.181 -8.702 197 H TYR 26 H TYR 26 7.994 -14.288 -8.811 198 HA TYR 26 HA TYR 26 8.247 -11.502 -9.215 199 HB2 TYR 26 1HB TYR 26 6.739 -12.792 -10.593 200 HB3 TYR 26 2HB TYR 26 5.822 -13.310 -9.184 201 HD1 TYR 26 HD2 TYR 26 6.605 -10.418 -11.348 202 HD2 TYR 26 HD1 TYR 26 4.101 -11.943 -8.264 203 HE1 TYR 26 HE2 TYR 26 5.100 -8.493 -11.623 204 HE2 TYR 26 HE1 TYR 26 2.589 -10.022 -8.531 205 HH TYR 26 HH TYR 26 2.601 -8.029 -11.171 206 H ALA 27 H ALA 27 6.725 -13.453 -6.687 207 HA ALA 27 HA ALA 27 5.375 -11.421 -5.331 208 HB1 ALA 27 3HB ALA 27 5.394 -12.911 -3.402 209 HB2 ALA 27 1HB ALA 27 6.649 -13.891 -4.158 210 HB3 ALA 27 2HB ALA 27 5.043 -13.806 -4.882 211 H THR 28 H THR 28 8.733 -12.486 -5.092 212 HA THR 28 HA THR 28 9.348 -10.819 -2.864 213 HB THR 28 HB THR 28 11.341 -11.913 -4.850 214 HG1 THR 28 HG1 THR 28 10.142 -13.680 -4.192 215 HG21 THR 28 3HG2 THR 28 11.519 -11.264 -1.903 216 HG22 THR 28 1HG2 THR 28 12.230 -10.328 -3.218 217 HG23 THR 28 2HG2 THR 28 12.813 -11.958 -2.880 218 H GLU 29 H GLU 29 9.616 -10.462 -6.382 219 HA GLU 29 HA GLU 29 11.019 -8.011 -6.387 220 HB2 GLU 29 1HB GLU 29 9.052 -9.142 -8.386 221 HB3 GLU 29 2HB GLU 29 10.016 -7.701 -8.667 222 HG2 GLU 29 1HG GLU 29 11.088 -10.472 -8.187 223 HG3 GLU 29 2HG GLU 29 10.963 -9.668 -9.750 224 H LEU 30 H LEU 30 7.561 -8.775 -6.421 225 HA LEU 30 HA LEU 30 6.627 -6.111 -6.470 226 HB2 LEU 30 1HB LEU 30 5.238 -8.085 -7.019 227 HB3 LEU 30 2HB LEU 30 5.292 -8.582 -5.342 228 HG LEU 30 HG LEU 30 4.132 -5.909 -6.076 229 HD11 LEU 30 1HD1 LEU 30 2.705 -8.565 -6.146 230 HD12 LEU 30 2HD1 LEU 30 3.013 -7.505 -7.522 231 HD13 LEU 30 3HD1 LEU 30 1.931 -6.982 -6.231 232 HD21 LEU 30 3HD2 LEU 30 2.788 -6.308 -4.066 233 HD22 LEU 30 1HD2 LEU 30 4.513 -6.393 -3.709 234 HD23 LEU 30 2HD2 LEU 30 3.569 -7.875 -3.853 235 H ALA 31 H ALA 31 7.216 -8.376 -3.807 236 HA ALA 31 HA ALA 31 6.310 -6.763 -1.722 237 HB1 ALA 31 3HB ALA 31 8.497 -8.838 -1.662 238 HB2 ALA 31 1HB ALA 31 6.773 -9.128 -1.427 239 HB3 ALA 31 2HB ALA 31 7.673 -8.169 -0.252 240 H LYS 32 H LYS 32 9.561 -6.992 -3.174 241 HA LYS 32 HA LYS 32 10.716 -5.231 -1.284 242 HB2 LYS 32 1HB LYS 32 12.062 -6.784 -2.698 243 HB3 LYS 32 2HB LYS 32 11.735 -5.740 -4.081 244 HG2 LYS 32 1HG LYS 32 12.826 -3.882 -2.977 245 HG3 LYS 32 2HG LYS 32 13.099 -4.866 -1.542 246 HD2 LYS 32 1HD LYS 32 14.508 -6.380 -2.919 247 HD3 LYS 32 2HD LYS 32 14.305 -5.266 -4.276 248 HE2 LYS 32 1HE LYS 32 15.306 -3.472 -2.956 249 HE3 LYS 32 2HE LYS 32 15.502 -4.574 -1.596 250 HZ1 LYS 32 3HZ LYS 32 16.970 -5.931 -3.010 251 HZ2 LYS 32 1HZ LYS 32 17.562 -4.359 -2.761 252 HZ3 LYS 32 2HZ LYS 32 16.842 -4.771 -4.238 253 H MET 33 H MET 33 9.307 -4.673 -4.512 254 HA MET 33 HA MET 33 9.940 -1.937 -4.686 255 HB2 MET 33 1HB MET 33 8.947 -3.318 -6.541 256 HB3 MET 33 2HB MET 33 7.398 -3.217 -5.711 257 HG2 MET 33 1HG MET 33 7.866 -0.642 -5.809 258 HG3 MET 33 2HG MET 33 8.933 -1.100 -7.133 259 HE1 MET 33 3HE MET 33 5.428 -2.548 -5.950 260 HE2 MET 33 1HE MET 33 4.359 -1.646 -7.025 261 HE3 MET 33 2HE MET 33 5.315 -0.793 -5.811 262 H PHE 34 H PHE 34 7.121 -3.599 -3.375 263 HA PHE 34 HA PHE 34 5.667 -1.383 -2.471 264 HB2 PHE 34 1HB PHE 34 5.000 -3.874 -2.596 265 HB3 PHE 34 2HB PHE 34 5.794 -4.034 -1.036 266 HD1 PHE 34 HD2 PHE 34 2.973 -2.525 -2.831 267 HD2 PHE 34 HD1 PHE 34 4.776 -3.202 0.963 268 HE1 PHE 34 HE2 PHE 34 0.889 -1.832 -1.719 269 HE2 PHE 34 HE1 PHE 34 2.697 -2.512 2.080 270 HZ PHE 34 HZ PHE 34 0.749 -1.825 0.740 271 H ASP 35 H ASP 35 7.812 -3.533 -0.617 272 HA ASP 35 HA ASP 35 7.838 -2.123 1.770 273 HB2 ASP 35 1HB ASP 35 8.715 -4.399 1.491 274 HB3 ASP 35 2HB ASP 35 10.058 -3.774 0.544 275 H ASP 36 H ASP 36 10.004 -1.776 -1.018 276 HA ASP 36 HA ASP 36 11.870 -0.070 0.215 277 HB2 ASP 36 1HB ASP 36 12.240 -1.397 -1.876 278 HB3 ASP 36 2HB ASP 36 11.243 -0.227 -2.734 279 H ASP 37 H ASP 37 8.856 0.640 -1.456 280 HA ASP 37 HA ASP 37 9.422 3.508 -1.231 281 HB2 ASP 37 1HB ASP 37 7.501 1.912 -2.862 282 HB3 ASP 37 2HB ASP 37 7.090 3.578 -2.470 283 H ILE 38 H ILE 38 7.139 1.071 -0.131 284 HA ILE 38 HA ILE 38 5.316 2.841 1.117 285 HB ILE 38 HB ILE 38 5.875 -0.094 1.517 286 HG12 ILE 38 1HG1 ILE 38 4.916 0.643 -0.662 287 HG13 ILE 38 2HG1 ILE 38 3.870 -0.449 0.238 288 HG21 ILE 38 1HG2 ILE 38 4.965 0.739 3.589 289 HG22 ILE 38 2HG2 ILE 38 3.757 -0.227 2.739 290 HG23 ILE 38 3HG2 ILE 38 3.650 1.532 2.721 291 HD11 ILE 38 3HD1 ILE 38 2.640 1.371 -0.819 292 HD12 ILE 38 1HD1 ILE 38 3.576 2.536 0.117 293 HD13 ILE 38 2HD1 ILE 38 2.498 1.410 0.941 294 H LEU 39 H LEU 39 8.123 1.051 2.342 295 HA LEU 39 HA LEU 39 7.534 1.408 5.046 296 HB2 LEU 39 1HB LEU 39 9.908 0.521 3.539 297 HB3 LEU 39 2HB LEU 39 10.168 1.032 5.196 298 HG LEU 39 HG LEU 39 9.767 -1.463 4.786 299 HD11 LEU 39 1HD1 LEU 39 9.697 -0.463 7.004 300 HD12 LEU 39 2HD1 LEU 39 8.460 -1.709 6.835 301 HD13 LEU 39 3HD1 LEU 39 8.011 -0.007 6.754 302 HD21 LEU 39 3HD2 LEU 39 7.894 -1.267 3.240 303 HD22 LEU 39 1HD2 LEU 39 6.930 -0.473 4.486 304 HD23 LEU 39 2HD2 LEU 39 7.413 -2.157 4.685 305 HA PRO 40 HA PRO 40 10.607 5.115 5.216 306 HB2 PRO 40 1HB PRO 40 11.100 6.449 2.897 307 HB3 PRO 40 2HB PRO 40 12.118 5.136 3.499 308 HG2 PRO 40 1HG PRO 40 9.958 5.057 1.429 309 HG3 PRO 40 2HG PRO 40 11.563 4.303 1.402 310 HD2 PRO 40 1HD PRO 40 9.342 2.906 2.010 311 HD3 PRO 40 2HD PRO 40 10.908 2.559 2.769 312 H ILE 41 H ILE 41 7.648 4.852 3.645 313 HA ILE 41 HA ILE 41 7.071 7.715 4.031 314 HB ILE 41 HB ILE 41 5.491 5.733 2.383 315 HG12 ILE 41 1HG1 ILE 41 7.719 6.208 1.397 316 HG13 ILE 41 2HG1 ILE 41 6.401 6.835 0.415 317 HG21 ILE 41 1HG2 ILE 41 4.160 7.568 3.303 318 HG22 ILE 41 2HG2 ILE 41 4.314 7.692 1.550 319 HG23 ILE 41 3HG2 ILE 41 5.280 8.733 2.596 320 HD11 ILE 41 3HD1 ILE 41 8.239 8.406 0.502 321 HD12 ILE 41 1HD1 ILE 41 8.154 8.438 2.264 322 HD13 ILE 41 2HD1 ILE 41 6.819 9.076 1.304 323 H ILE 42 H ILE 42 5.500 4.502 4.380 324 HA ILE 42 HA ILE 42 4.018 5.577 6.691 325 HB ILE 42 HB ILE 42 1.981 4.388 5.931 326 HG12 ILE 42 1HG1 ILE 42 3.081 4.259 3.165 327 HG13 ILE 42 2HG1 ILE 42 3.524 2.983 4.295 328 HG21 ILE 42 1HG2 ILE 42 3.002 6.486 4.027 329 HG22 ILE 42 2HG2 ILE 42 2.174 6.774 5.558 330 HG23 ILE 42 3HG2 ILE 42 1.315 6.008 4.219 331 HD11 ILE 42 3HD1 ILE 42 0.728 3.776 3.531 332 HD12 ILE 42 1HD1 ILE 42 1.170 2.506 4.673 333 HD13 ILE 42 2HD1 ILE 42 1.606 2.350 2.969 334 H GLY 43 H GLY 43 6.145 3.296 5.832 335 HA2 GLY 43 1HA GLY 43 4.925 0.827 6.377 336 HA3 GLY 43 2HA GLY 43 6.642 1.149 6.490 337 H GLY 44 H GLY 44 6.552 3.104 8.531 338 HA2 GLY 44 1HA GLY 44 6.199 1.258 10.766 339 HA3 GLY 44 2HA GLY 44 7.086 2.775 10.796 340 H LEU 45 H LEU 45 4.048 3.061 9.289 341 HA LEU 45 HA LEU 45 3.051 4.435 11.678 342 HB2 LEU 45 1HB LEU 45 1.994 4.466 8.849 343 HB3 LEU 45 2HB LEU 45 1.424 5.465 10.172 344 HG LEU 45 HG LEU 45 4.167 5.593 8.922 345 HD11 LEU 45 1HD1 LEU 45 1.841 7.505 8.785 346 HD12 LEU 45 2HD1 LEU 45 2.413 6.474 7.473 347 HD13 LEU 45 3HD1 LEU 45 3.439 7.768 8.088 348 HD21 LEU 45 3HD2 LEU 45 4.503 7.564 10.318 349 HD22 LEU 45 1HD2 LEU 45 4.224 6.127 11.304 350 HD23 LEU 45 2HD2 LEU 45 2.930 7.305 11.075 351 H GLU 46 H GLU 46 0.956 4.059 12.472 352 HA GLU 46 HA GLU 46 0.023 1.370 12.351 353 HB2 GLU 46 1HB GLU 46 -1.385 3.854 13.361 354 HB3 GLU 46 2HB GLU 46 -1.914 2.204 13.647 355 HG2 GLU 46 1HG GLU 46 0.142 1.775 14.905 356 HG3 GLU 46 2HG GLU 46 0.644 3.445 14.634 357 H ILE 47 H ILE 47 -1.610 0.489 11.128 358 HA ILE 47 HA ILE 47 -2.136 1.673 8.632 359 HB ILE 47 HB ILE 47 -2.176 -0.785 9.126 360 HG12 ILE 47 1HG1 ILE 47 -4.699 0.221 7.801 361 HG13 ILE 47 2HG1 ILE 47 -3.111 0.250 7.039 362 HG21 ILE 47 1HG2 ILE 47 -3.498 -0.747 11.160 363 HG22 ILE 47 2HG2 ILE 47 -4.266 -1.774 9.949 364 HG23 ILE 47 3HG2 ILE 47 -4.898 -0.158 10.262 365 HD11 ILE 47 3HD1 ILE 47 -4.419 -1.649 6.287 366 HD12 ILE 47 1HD1 ILE 47 -4.591 -2.205 7.951 367 HD13 ILE 47 2HD1 ILE 47 -3.000 -2.184 7.189 368 H GLN 48 H GLN 48 -3.684 1.992 11.664 369 HA GLN 48 HA GLN 48 -6.174 3.047 10.622 370 HB2 GLN 48 1HB GLN 48 -5.068 2.966 13.436 371 HB3 GLN 48 2HB GLN 48 -6.711 3.402 12.998 372 HG2 GLN 48 1HG GLN 48 -7.318 1.240 12.559 373 HG3 GLN 48 2HG GLN 48 -5.669 0.740 12.175 374 HE21 GLN 48 2HE2 GLN 48 -7.683 -0.400 14.027 375 HE22 GLN 48 1HE2 GLN 48 -6.893 -0.467 15.565 376 H ASP 49 H ASP 49 -3.053 4.225 11.320 377 HA ASP 49 HA ASP 49 -4.064 6.902 12.040 378 HB2 ASP 49 1HB ASP 49 -2.795 5.512 13.775 379 HB3 ASP 49 2HB ASP 49 -1.368 5.761 12.777 380 H ILE 50 H ILE 50 -3.370 5.674 9.363 381 HA ILE 50 HA ILE 50 -1.061 7.236 8.545 382 HB ILE 50 HB ILE 50 -2.827 5.338 6.996 383 HG12 ILE 50 1HG1 ILE 50 0.051 5.124 7.901 384 HG13 ILE 50 2HG1 ILE 50 -1.315 4.336 8.682 385 HG21 ILE 50 1HG2 ILE 50 -0.357 6.810 6.071 386 HG22 ILE 50 2HG2 ILE 50 -2.003 7.079 5.499 387 HG23 ILE 50 3HG2 ILE 50 -1.196 5.546 5.172 388 HD11 ILE 50 3HD1 ILE 50 -0.080 2.802 7.271 389 HD12 ILE 50 1HD1 ILE 50 -0.369 3.838 5.873 390 HD13 ILE 50 2HD1 ILE 50 -1.722 3.035 6.672 391 H GLU 51 H GLU 51 -1.141 9.145 7.631 392 HA GLU 51 HA GLU 51 -3.544 10.625 7.401 393 HB2 GLU 51 1HB GLU 51 -0.831 11.243 6.212 394 HB3 GLU 51 2HB GLU 51 -2.134 12.389 6.486 395 HG2 GLU 51 1HG GLU 51 -0.746 10.874 8.679 396 HG3 GLU 51 2HG GLU 51 -0.281 12.488 8.141 397 HA PRO 52 HA PRO 52 -4.965 9.588 3.298 398 HB2 PRO 52 1HB PRO 52 -5.561 12.488 3.063 399 HB3 PRO 52 2HB PRO 52 -6.628 11.099 2.834 400 HG2 PRO 52 1HG PRO 52 -6.808 12.617 5.020 401 HG3 PRO 52 2HG PRO 52 -7.020 10.858 5.105 402 HD2 PRO 52 1HD PRO 52 -4.670 12.528 5.896 403 HD3 PRO 52 2HD PRO 52 -5.331 11.072 6.668 404 H MET 53 H MET 53 -3.189 12.673 3.633 405 HA MET 53 HA MET 53 -2.213 12.543 0.925 406 HB2 MET 53 1HB MET 53 -1.494 14.357 3.230 407 HB3 MET 53 2HB MET 53 -0.830 14.518 1.610 408 HG2 MET 53 1HG MET 53 -3.059 14.912 0.720 409 HG3 MET 53 2HG MET 53 -3.743 14.716 2.333 410 HE1 MET 53 3HE MET 53 -0.876 18.162 1.215 411 HE2 MET 53 1HE MET 53 -1.348 16.887 0.091 412 HE3 MET 53 2HE MET 53 -0.340 16.503 1.487 413 H GLN 54 H GLN 54 -1.362 11.030 3.768 414 HA GLN 54 HA GLN 54 1.477 10.856 3.259 415 HB2 GLN 54 1HB GLN 54 0.191 10.658 5.536 416 HB3 GLN 54 2HB GLN 54 -0.035 8.986 5.054 417 HG2 GLN 54 1HG GLN 54 1.879 9.263 6.530 418 HG3 GLN 54 2HG GLN 54 2.354 8.660 4.942 419 HE21 GLN 54 2HE2 GLN 54 4.461 9.381 5.277 420 HE22 GLN 54 1HE2 GLN 54 4.880 11.052 5.139 421 H LEU 55 H LEU 55 -1.388 8.810 2.953 422 HA LEU 55 HA LEU 55 -0.119 6.651 1.643 423 HB2 LEU 55 1HB LEU 55 -2.428 6.657 2.653 424 HB3 LEU 55 2HB LEU 55 -2.963 7.600 1.275 425 HG LEU 55 HG LEU 55 -2.346 5.741 -0.225 426 HD11 LEU 55 1HD1 LEU 55 -1.738 4.274 2.338 427 HD12 LEU 55 2HD1 LEU 55 -0.567 4.757 1.111 428 HD13 LEU 55 3HD1 LEU 55 -1.800 3.555 0.728 429 HD21 LEU 55 3HD2 LEU 55 -4.193 5.013 2.040 430 HD22 LEU 55 1HD2 LEU 55 -4.140 4.210 0.471 431 HD23 LEU 55 2HD2 LEU 55 -4.621 5.904 0.581 432 H LEU 56 H LEU 56 -1.592 9.659 0.531 433 HA LEU 56 HA LEU 56 -1.176 9.292 -2.227 434 HB2 LEU 56 1HB LEU 56 -2.624 11.045 -1.335 435 HB3 LEU 56 2HB LEU 56 -1.253 11.831 -0.587 436 HG LEU 56 HG LEU 56 -2.282 12.757 -2.815 437 HD11 LEU 56 1HD1 LEU 56 -0.367 13.727 -1.699 438 HD12 LEU 56 2HD1 LEU 56 -0.113 13.679 -3.443 439 HD13 LEU 56 3HD1 LEU 56 0.688 12.500 -2.403 440 HD21 LEU 56 3HD2 LEU 56 -1.213 11.958 -4.824 441 HD22 LEU 56 1HD2 LEU 56 -2.094 10.639 -4.056 442 HD23 LEU 56 2HD2 LEU 56 -0.336 10.734 -3.907 443 H GLU 57 H GLU 57 0.944 10.362 0.364 444 HA GLU 57 HA GLU 57 3.021 11.389 -1.201 445 HB2 GLU 57 1HB GLU 57 2.801 11.626 1.278 446 HB3 GLU 57 2HB GLU 57 3.301 9.949 1.438 447 HG2 GLU 57 1HG GLU 57 5.460 10.415 0.591 448 HG3 GLU 57 2HG GLU 57 4.977 12.029 0.073 449 H VAL 58 H VAL 58 2.284 8.083 -0.180 450 HA VAL 58 HA VAL 58 4.539 6.809 -1.296 451 HB VAL 58 HB VAL 58 1.711 5.748 -1.088 452 HG11 VAL 58 1HG1 VAL 58 2.672 3.548 -1.319 453 HG12 VAL 58 2HG1 VAL 58 4.294 4.228 -1.428 454 HG13 VAL 58 3HG1 VAL 58 3.125 4.528 -2.713 455 HG21 VAL 58 3HG2 VAL 58 4.074 5.431 0.763 456 HG22 VAL 58 1HG2 VAL 58 2.511 4.632 0.941 457 HG23 VAL 58 2HG2 VAL 58 2.625 6.387 1.079 458 H ILE 59 H ILE 59 1.285 7.189 -2.708 459 HA ILE 59 HA ILE 59 1.905 6.162 -5.233 460 HB ILE 59 HB ILE 59 -0.279 7.855 -4.145 461 HG12 ILE 59 1HG1 ILE 59 -1.662 6.034 -5.188 462 HG13 ILE 59 2HG1 ILE 59 -0.159 5.251 -5.659 463 HG21 ILE 59 1HG2 ILE 59 0.069 9.028 -6.186 464 HG22 ILE 59 2HG2 ILE 59 -1.343 7.991 -6.393 465 HG23 ILE 59 3HG2 ILE 59 0.204 7.521 -7.090 466 HD11 ILE 59 3HD1 ILE 59 0.464 5.036 -3.315 467 HD12 ILE 59 1HD1 ILE 59 -1.089 4.268 -3.648 468 HD13 ILE 59 2HD1 ILE 59 -1.034 5.836 -2.841 469 H ARG 60 H ARG 60 1.951 9.489 -4.050 470 HA ARG 60 HA ARG 60 2.705 10.772 -6.430 471 HB2 ARG 60 1HB ARG 60 1.855 11.895 -4.395 472 HB3 ARG 60 2HB ARG 60 3.362 11.521 -3.576 473 HG2 ARG 60 1HG ARG 60 4.491 12.853 -5.445 474 HG3 ARG 60 2HG ARG 60 2.869 13.447 -5.815 475 HD2 ARG 60 1HD ARG 60 4.023 14.978 -4.311 476 HD3 ARG 60 2HD ARG 60 2.632 14.239 -3.510 477 HE ARG 60 HE ARG 60 4.743 12.617 -2.883 478 HH11 ARG 60 1HH1 ARG 60 3.995 16.013 -2.418 479 HH12 ARG 60 2HH1 ARG 60 5.027 16.168 -1.025 480 HH21 ARG 60 1HH2 ARG 60 6.117 12.836 -1.089 481 HH22 ARG 60 2HH2 ARG 60 6.215 14.362 -0.256 482 H ARG 61 H ARG 61 4.546 9.106 -3.959 483 HA ARG 61 HA ARG 61 7.138 9.871 -4.716 484 HB2 ARG 61 1HB ARG 61 6.677 8.741 -2.607 485 HB3 ARG 61 2HB ARG 61 6.150 7.301 -3.465 486 HG2 ARG 61 1HG ARG 61 8.374 7.008 -2.559 487 HG3 ARG 61 2HG ARG 61 8.411 6.982 -4.323 488 HD2 ARG 61 1HD ARG 61 9.121 9.342 -4.312 489 HD3 ARG 61 2HD ARG 61 9.143 9.307 -2.547 490 HE ARG 61 HE ARG 61 10.909 7.610 -2.725 491 HH11 ARG 61 1HH1 ARG 61 10.306 9.708 -5.469 492 HH12 ARG 61 2HH1 ARG 61 11.877 9.457 -6.171 493 HH21 ARG 61 1HH2 ARG 61 12.978 7.270 -3.665 494 HH22 ARG 61 2HH2 ARG 61 13.365 8.036 -5.175 495 H PHE 62 H PHE 62 4.971 7.357 -5.907 496 HA PHE 62 HA PHE 62 6.873 6.275 -7.764 497 HB2 PHE 62 1HB PHE 62 3.883 5.996 -7.494 498 HB3 PHE 62 2HB PHE 62 4.779 5.247 -8.809 499 HD1 PHE 62 HD2 PHE 62 6.526 3.544 -8.278 500 HD2 PHE 62 HD1 PHE 62 3.817 5.027 -5.351 501 HE1 PHE 62 HE2 PHE 62 7.007 1.595 -6.855 502 HE2 PHE 62 HE1 PHE 62 4.292 3.080 -3.923 503 HZ PHE 62 HZ PHE 62 5.887 1.361 -4.675 504 H GLU 63 H GLU 63 4.180 8.573 -7.967 505 HA GLU 63 HA GLU 63 4.258 9.024 -10.739 506 HB2 GLU 63 1HB GLU 63 3.490 10.974 -8.561 507 HB3 GLU 63 2HB GLU 63 3.088 11.126 -10.264 508 HG2 GLU 63 1HG GLU 63 1.816 9.009 -10.092 509 HG3 GLU 63 2HG GLU 63 2.123 9.020 -8.355 510 H ASP 64 H ASP 64 6.190 10.263 -8.139 511 HA ASP 64 HA ASP 64 7.399 12.444 -9.409 512 HB2 ASP 64 1HB ASP 64 7.559 12.006 -6.997 513 HB3 ASP 64 2HB ASP 64 8.548 10.585 -7.317 514 H ARG 65 H ARG 65 7.920 9.026 -9.712 515 HA ARG 65 HA ARG 65 10.255 9.513 -11.421 516 HB2 ARG 65 1HB ARG 65 9.205 6.963 -10.191 517 HB3 ARG 65 2HB ARG 65 10.543 7.022 -11.330 518 HG2 ARG 65 1HG ARG 65 11.921 7.345 -9.637 519 HG3 ARG 65 2HG ARG 65 11.137 8.895 -9.329 520 HD2 ARG 65 1HD ARG 65 11.068 7.682 -7.299 521 HD3 ARG 65 2HD ARG 65 9.438 7.642 -7.965 522 HE ARG 65 HE ARG 65 10.832 5.347 -8.812 523 HH11 ARG 65 1HH1 ARG 65 9.423 6.757 -5.949 524 HH12 ARG 65 2HH1 ARG 65 9.223 5.235 -5.123 525 HH21 ARG 65 1HH2 ARG 65 10.536 3.326 -7.759 526 HH22 ARG 65 2HH2 ARG 65 9.818 3.281 -6.168 527 H GLY 66 H GLY 66 6.995 9.350 -11.737 528 HA2 GLY 66 1HA GLY 66 5.777 9.311 -13.710 529 HA3 GLY 66 2HA GLY 66 7.222 8.783 -14.563 530 H ALA 67 H ALA 67 6.598 6.976 -11.789 531 HA ALA 67 HA ALA 67 5.846 4.682 -13.382 532 HB1 ALA 67 3HB ALA 67 7.493 4.433 -11.590 533 HB2 ALA 67 1HB ALA 67 6.075 3.424 -11.298 534 HB3 ALA 67 2HB ALA 67 6.285 4.930 -10.404 535 H MET 68 H MET 68 3.801 5.641 -14.057 536 HA MET 68 HA MET 68 1.837 6.398 -12.133 537 HB2 MET 68 1HB MET 68 1.286 5.705 -15.014 538 HB3 MET 68 2HB MET 68 0.393 6.804 -13.974 539 HG2 MET 68 1HG MET 68 3.068 7.210 -15.264 540 HG3 MET 68 2HG MET 68 1.599 8.161 -15.453 541 HE1 MET 68 3HE MET 68 0.725 8.272 -12.330 542 HE2 MET 68 1HE MET 68 0.588 9.673 -13.394 543 HE3 MET 68 2HE MET 68 1.415 9.822 -11.843 544 H GLU 69 H GLU 69 2.415 3.537 -14.090 545 HA GLU 69 HA GLU 69 0.031 2.187 -13.337 546 HB2 GLU 69 1HB GLU 69 2.627 1.000 -14.340 547 HB3 GLU 69 2HB GLU 69 1.050 0.221 -14.348 548 HG2 GLU 69 1HG GLU 69 1.867 2.642 -15.936 549 HG3 GLU 69 2HG GLU 69 1.580 1.015 -16.556 550 H ARG 70 H ARG 70 3.314 2.316 -12.086 551 HA ARG 70 HA ARG 70 2.955 0.289 -10.119 552 HB2 ARG 70 1HB ARG 70 4.886 2.612 -10.086 553 HB3 ARG 70 2HB ARG 70 4.982 1.171 -9.086 554 HG2 ARG 70 1HG ARG 70 5.233 -0.170 -11.178 555 HG3 ARG 70 2HG ARG 70 5.345 1.355 -12.064 556 HD2 ARG 70 1HD ARG 70 7.221 1.971 -10.478 557 HD3 ARG 70 2HD ARG 70 7.198 0.292 -9.949 558 HE ARG 70 HE ARG 70 7.497 0.746 -12.810 559 HH11 ARG 70 1HH1 ARG 70 9.011 0.024 -9.740 560 HH12 ARG 70 2HH1 ARG 70 10.513 -0.492 -10.443 561 HH21 ARG 70 1HH2 ARG 70 9.460 0.059 -13.753 562 HH22 ARG 70 2HH2 ARG 70 10.770 -0.468 -12.741 563 H ALA 71 H ALA 71 2.424 3.770 -10.192 564 HA ALA 71 HA ALA 71 1.852 4.162 -7.468 565 HB1 ALA 71 3HB ALA 71 0.756 5.593 -9.889 566 HB2 ALA 71 1HB ALA 71 2.198 6.031 -8.973 567 HB3 ALA 71 2HB ALA 71 0.606 6.155 -8.226 568 H ASN 72 H ASN 72 -0.308 3.489 -10.212 569 HA ASN 72 HA ASN 72 -2.673 3.148 -8.737 570 HB2 ASN 72 1HB ASN 72 -1.748 2.110 -11.404 571 HB3 ASN 72 2HB ASN 72 -3.290 1.594 -10.734 572 HD21 ASN 72 2HD2 ASN 72 -1.471 4.262 -12.021 573 HD22 ASN 72 1HD2 ASN 72 -2.825 5.314 -12.275 574 H LYS 73 H LYS 73 -0.079 0.920 -9.526 575 HA LYS 73 HA LYS 73 -1.279 -1.444 -8.587 576 HB2 LYS 73 1HB LYS 73 0.785 -1.284 -10.006 577 HB3 LYS 73 2HB LYS 73 1.662 -0.746 -8.582 578 HG2 LYS 73 1HG LYS 73 1.287 -2.853 -7.490 579 HG3 LYS 73 2HG LYS 73 0.254 -3.394 -8.816 580 HD2 LYS 73 1HD LYS 73 2.198 -3.165 -10.348 581 HD3 LYS 73 2HD LYS 73 3.204 -2.782 -8.949 582 HE2 LYS 73 1HE LYS 73 2.767 -4.945 -7.986 583 HE3 LYS 73 2HE LYS 73 1.619 -5.324 -9.269 584 HZ1 LYS 73 3HZ LYS 73 3.486 -5.127 -10.861 585 HZ2 LYS 73 1HZ LYS 73 3.679 -6.391 -9.749 586 HZ3 LYS 73 2HZ LYS 73 4.551 -4.950 -9.552 587 H ALA 74 H ALA 74 0.975 0.818 -7.000 588 HA ALA 74 HA ALA 74 1.053 -0.344 -4.476 589 HB1 ALA 74 3HB ALA 74 1.095 2.615 -5.091 590 HB2 ALA 74 1HB ALA 74 2.488 1.535 -5.200 591 HB3 ALA 74 2HB ALA 74 1.721 1.832 -3.641 592 H ARG 75 H ARG 75 -1.112 2.148 -5.722 593 HA ARG 75 HA ARG 75 -2.697 2.641 -3.535 594 HB2 ARG 75 1HB ARG 75 -2.796 3.912 -5.598 595 HB3 ARG 75 2HB ARG 75 -3.438 2.526 -6.462 596 HG2 ARG 75 1HG ARG 75 -5.486 2.647 -5.151 597 HG3 ARG 75 2HG ARG 75 -4.834 4.024 -4.255 598 HD2 ARG 75 1HD ARG 75 -4.690 5.319 -6.299 599 HD3 ARG 75 2HD ARG 75 -5.252 3.940 -7.240 600 HE ARG 75 HE ARG 75 -7.113 4.683 -5.204 601 HH11 ARG 75 1HH1 ARG 75 -5.916 5.603 -8.359 602 HH12 ARG 75 2HH1 ARG 75 -7.448 6.228 -8.902 603 HH21 ARG 75 1HH2 ARG 75 -9.128 5.508 -5.904 604 HH22 ARG 75 2HH2 ARG 75 -9.271 6.196 -7.496 605 H ARG 76 H ARG 76 -3.132 0.073 -5.962 606 HA ARG 76 HA ARG 76 -5.554 -0.871 -4.777 607 HB2 ARG 76 1HB ARG 76 -5.095 -1.144 -7.169 608 HB3 ARG 76 2HB ARG 76 -3.740 -2.201 -6.792 609 HG2 ARG 76 1HG ARG 76 -5.138 -3.913 -6.029 610 HG3 ARG 76 2HG ARG 76 -6.527 -2.833 -5.886 611 HD2 ARG 76 1HD ARG 76 -5.206 -3.751 -8.437 612 HD3 ARG 76 2HD ARG 76 -6.789 -4.242 -7.831 613 HE ARG 76 HE ARG 76 -6.083 -1.648 -8.995 614 HH11 ARG 76 1HH1 ARG 76 -8.510 -3.777 -7.636 615 HH12 ARG 76 2HH1 ARG 76 -9.840 -2.775 -8.112 616 HH21 ARG 76 1HH2 ARG 76 -7.851 -0.335 -9.638 617 HH22 ARG 76 2HH2 ARG 76 -9.470 -0.823 -9.244 618 H ARG 77 H ARG 77 -2.185 -1.984 -4.743 619 HA ARG 77 HA ARG 77 -2.604 -4.356 -3.300 620 HB2 ARG 77 1HB ARG 77 -0.176 -2.555 -3.290 621 HB3 ARG 77 2HB ARG 77 -0.214 -4.213 -2.718 622 HG2 ARG 77 1HG ARG 77 -0.943 -3.543 -5.542 623 HG3 ARG 77 2HG ARG 77 0.738 -3.716 -5.052 624 HD2 ARG 77 1HD ARG 77 0.149 -5.821 -5.873 625 HD3 ARG 77 2HD ARG 77 0.062 -5.990 -4.124 626 HE ARG 77 HE ARG 77 -2.428 -5.651 -4.459 627 HH11 ARG 77 1HH1 ARG 77 -0.379 -7.027 -6.951 628 HH12 ARG 77 2HH1 ARG 77 -1.642 -8.012 -7.619 629 HH21 ARG 77 1HH2 ARG 77 -4.085 -6.977 -5.332 630 HH22 ARG 77 2HH2 ARG 77 -3.721 -7.990 -6.703 631 H CYS 78 H CYS 78 -1.933 -1.041 -2.202 632 HA CYS 78 HA CYS 78 -1.837 -1.619 0.560 633 HB2 CYS 78 1HB CYS 78 -2.664 0.947 -0.818 634 HB3 CYS 78 2HB CYS 78 -2.241 0.793 0.883 635 HG CYS 78 HG CYS 78 -0.191 0.595 -1.825 636 H GLY 79 H GLY 79 -4.497 -0.771 -1.615 637 HA2 GLY 79 1HA GLY 79 -6.556 -0.453 0.218 638 HA3 GLY 79 2HA GLY 79 -6.758 -1.080 -1.410 639 H GLU 80 H GLU 80 -5.183 -3.425 -1.087 640 HA GLU 80 HA GLU 80 -7.081 -5.156 0.144 641 HB2 GLU 80 1HB GLU 80 -4.342 -5.609 -1.017 642 HB3 GLU 80 2HB GLU 80 -5.299 -6.909 -0.317 643 HG2 GLU 80 1HG GLU 80 -7.026 -6.595 -1.940 644 HG3 GLU 80 2HG GLU 80 -6.228 -5.155 -2.572 645 H VAL 81 H VAL 81 -3.916 -3.906 1.102 646 HA VAL 81 HA VAL 81 -3.610 -5.413 3.457 647 HB VAL 81 HB VAL 81 -2.695 -2.564 2.985 648 HG11 VAL 81 1HG1 VAL 81 -2.616 -3.218 5.335 649 HG12 VAL 81 2HG1 VAL 81 -0.992 -3.054 4.665 650 HG13 VAL 81 3HG1 VAL 81 -1.687 -4.656 4.909 651 HG21 VAL 81 3HG2 VAL 81 -1.297 -5.179 2.425 652 HG22 VAL 81 1HG2 VAL 81 -0.556 -3.582 2.307 653 HG23 VAL 81 2HG2 VAL 81 -1.877 -4.023 1.225 654 H PHE 82 H PHE 82 -5.106 -2.234 2.903 655 HA PHE 82 HA PHE 82 -6.098 -1.834 5.504 656 HB2 PHE 82 1HB PHE 82 -7.089 -0.873 2.817 657 HB3 PHE 82 2HB PHE 82 -7.826 -0.379 4.336 658 HD1 PHE 82 HD1 PHE 82 -6.249 0.708 6.073 659 HD2 PHE 82 HD2 PHE 82 -5.342 0.349 1.934 660 HE1 PHE 82 HE1 PHE 82 -4.631 2.551 6.273 661 HE2 PHE 82 HE2 PHE 82 -3.718 2.185 2.125 662 HZ PHE 82 HZ PHE 82 -3.361 3.290 4.297 663 H ARG 83 H ARG 83 -7.436 -3.473 2.689 664 HA ARG 83 HA ARG 83 -10.000 -4.005 3.641 665 HB2 ARG 83 1HB ARG 83 -9.388 -4.324 1.320 666 HB3 ARG 83 2HB ARG 83 -8.255 -5.592 1.755 667 HG2 ARG 83 1HG ARG 83 -10.012 -7.068 2.362 668 HG3 ARG 83 2HG ARG 83 -11.215 -5.778 2.240 669 HD2 ARG 83 1HD ARG 83 -9.550 -6.816 -0.052 670 HD3 ARG 83 2HD ARG 83 -11.214 -7.294 0.282 671 HE ARG 83 HE ARG 83 -11.524 -4.677 0.109 672 HH11 ARG 83 1HH1 ARG 83 -9.595 -6.783 -1.921 673 HH12 ARG 83 2HH1 ARG 83 -9.799 -5.814 -3.349 674 HH21 ARG 83 1HH2 ARG 83 -11.809 -3.409 -1.761 675 HH22 ARG 83 2HH2 ARG 83 -11.054 -3.884 -3.253 676 H TYR 84 H TYR 84 -7.042 -5.975 3.907 677 HA TYR 84 HA TYR 84 -8.189 -8.119 5.307 678 HB2 TYR 84 1HB TYR 84 -5.919 -8.153 4.290 679 HB3 TYR 84 2HB TYR 84 -5.360 -7.066 5.558 680 HD1 TYR 84 HD1 TYR 84 -6.579 -10.472 4.846 681 HD2 TYR 84 HD2 TYR 84 -4.842 -7.894 7.753 682 HE1 TYR 84 HE1 TYR 84 -6.070 -12.417 6.260 683 HE2 TYR 84 HE2 TYR 84 -4.329 -9.836 9.173 684 HH TYR 84 HH TYR 84 -4.459 -13.023 8.047 685 H ALA 85 H ALA 85 -6.767 -5.089 6.429 686 HA ALA 85 HA ALA 85 -6.934 -5.608 9.190 687 HB1 ALA 85 3HB ALA 85 -6.679 -3.210 9.486 688 HB2 ALA 85 1HB ALA 85 -7.049 -2.944 7.783 689 HB3 ALA 85 2HB ALA 85 -5.577 -3.801 8.241 690 H ILE 86 H ILE 86 -9.276 -4.377 6.873 691 HA ILE 86 HA ILE 86 -11.250 -3.659 8.802 692 HB ILE 86 HB ILE 86 -11.570 -4.355 5.874 693 HG12 ILE 86 1HG1 ILE 86 -11.436 -1.671 7.269 694 HG13 ILE 86 2HG1 ILE 86 -10.142 -2.385 6.312 695 HG21 ILE 86 1HG2 ILE 86 -13.668 -4.646 7.086 696 HG22 ILE 86 2HG2 ILE 86 -13.743 -3.242 6.022 697 HG23 ILE 86 3HG2 ILE 86 -13.513 -3.021 7.756 698 HD11 ILE 86 3HD1 ILE 86 -11.327 -0.697 5.046 699 HD12 ILE 86 1HD1 ILE 86 -12.850 -1.549 5.296 700 HD13 ILE 86 2HD1 ILE 86 -11.575 -2.289 4.329 701 H VAL 87 H VAL 87 -10.666 -6.551 6.830 702 HA VAL 87 HA VAL 87 -12.911 -8.030 7.634 703 HB VAL 87 HB VAL 87 -10.190 -9.055 6.802 704 HG11 VAL 87 1HG1 VAL 87 -11.351 -11.136 6.231 705 HG12 VAL 87 2HG1 VAL 87 -12.848 -10.481 6.897 706 HG13 VAL 87 3HG1 VAL 87 -11.469 -10.781 7.956 707 HG21 VAL 87 3HG2 VAL 87 -12.698 -8.610 5.187 708 HG22 VAL 87 1HG2 VAL 87 -11.184 -9.289 4.588 709 HG23 VAL 87 2HG2 VAL 87 -11.244 -7.612 5.131 710 H THR 88 H THR 88 -9.674 -7.781 9.062 711 HA THR 88 HA THR 88 -10.324 -9.675 11.140 712 HB THR 88 HB THR 88 -8.018 -9.491 10.246 713 HG1 THR 88 HG1 THR 88 -8.747 -9.791 12.742 714 HG21 THR 88 3HG2 THR 88 -7.877 -7.092 9.918 715 HG22 THR 88 1HG2 THR 88 -6.587 -7.629 10.993 716 HG23 THR 88 2HG2 THR 88 -8.009 -6.821 11.655 717 H GLY 89 H GLY 89 -11.381 -6.665 10.652 718 HA2 GLY 89 1HA GLY 89 -12.604 -5.284 12.013 719 HA3 GLY 89 2HA GLY 89 -12.405 -6.474 13.286 720 H ARG 90 H ARG 90 -9.670 -4.948 11.723 721 HA ARG 90 HA ARG 90 -9.074 -3.602 14.262 722 HB2 ARG 90 1HB ARG 90 -7.319 -4.234 11.886 723 HB3 ARG 90 2HB ARG 90 -6.788 -3.285 13.270 724 HG2 ARG 90 1HG ARG 90 -7.216 -5.207 14.731 725 HG3 ARG 90 2HG ARG 90 -7.700 -6.153 13.322 726 HD2 ARG 90 1HD ARG 90 -5.459 -5.792 12.353 727 HD3 ARG 90 2HD ARG 90 -4.989 -4.931 13.820 728 HE ARG 90 HE ARG 90 -5.980 -7.457 14.540 729 HH11 ARG 90 1HH1 ARG 90 -3.213 -6.019 12.935 730 HH12 ARG 90 2HH1 ARG 90 -2.141 -7.315 13.345 731 HH21 ARG 90 1HH2 ARG 90 -4.570 -9.145 15.091 732 HH22 ARG 90 2HH2 ARG 90 -2.910 -9.101 14.569 733 H ALA 91 H ALA 91 -9.399 -3.031 10.812 734 HA ALA 91 HA ALA 91 -9.323 -0.139 11.312 735 HB1 ALA 91 3HB ALA 91 -8.987 0.116 8.906 736 HB2 ALA 91 1HB ALA 91 -9.098 -1.634 8.700 737 HB3 ALA 91 2HB ALA 91 -7.760 -0.937 9.611 738 H LYS 92 H LYS 92 -11.058 1.108 10.934 739 HA LYS 92 HA LYS 92 -13.560 -0.284 10.269 740 HB2 LYS 92 1HB LYS 92 -13.549 0.887 12.416 741 HB3 LYS 92 2HB LYS 92 -13.072 2.382 11.622 742 HG2 LYS 92 1HG LYS 92 -15.200 2.413 10.413 743 HG3 LYS 92 2HG LYS 92 -15.680 0.926 11.232 744 HD2 LYS 92 1HD LYS 92 -15.533 2.068 13.389 745 HD3 LYS 92 2HD LYS 92 -15.043 3.553 12.572 746 HE2 LYS 92 1HE LYS 92 -17.416 3.596 13.148 747 HE3 LYS 92 2HE LYS 92 -17.178 3.629 11.402 748 HZ1 LYS 92 3HZ LYS 92 -18.964 2.108 12.227 749 HZ2 LYS 92 1HZ LYS 92 -17.750 1.140 12.910 750 HZ3 LYS 92 2HZ LYS 92 -17.807 1.370 11.228 751 H TYR 93 H TYR 93 -11.385 2.221 9.296 752 HA TYR 93 HA TYR 93 -12.858 2.586 6.814 753 HB2 TYR 93 1HB TYR 93 -13.791 4.318 8.250 754 HB3 TYR 93 2HB TYR 93 -12.177 4.866 8.685 755 HD1 TYR 93 HD1 TYR 93 -14.497 4.517 5.803 756 HD2 TYR 93 HD2 TYR 93 -11.105 6.513 7.416 757 HE1 TYR 93 HE1 TYR 93 -14.555 6.115 3.936 758 HE2 TYR 93 HE2 TYR 93 -11.150 8.113 5.553 759 HH TYR 93 HH TYR 93 -11.982 8.288 3.295 760 H ASN 94 H ASN 94 -11.534 2.854 5.127 761 HA ASN 94 HA ASN 94 -8.696 3.379 5.696 762 HB2 ASN 94 1HB ASN 94 -8.171 2.172 3.621 763 HB3 ASN 94 2HB ASN 94 -9.069 1.150 4.733 764 HD21 ASN 94 2HD2 ASN 94 -8.737 0.977 1.832 765 HD22 ASN 94 1HD2 ASN 94 -10.335 1.000 1.162 766 HA PRO 95 HA PRO 95 -9.381 7.159 3.521 767 HB2 PRO 95 1HB PRO 95 -6.832 8.023 3.378 768 HB3 PRO 95 2HB PRO 95 -7.727 7.978 4.900 769 HG2 PRO 95 1HG PRO 95 -5.684 6.071 3.846 770 HG3 PRO 95 2HG PRO 95 -5.900 6.685 5.495 771 HD2 PRO 95 1HD PRO 95 -6.766 4.224 4.648 772 HD3 PRO 95 2HD PRO 95 -7.490 5.120 5.997 773 H ALA 96 H ALA 96 -9.243 4.757 1.877 774 HA ALA 96 HA ALA 96 -7.429 5.168 -0.279 775 HB1 ALA 96 3HB ALA 96 -8.327 2.956 0.240 776 HB2 ALA 96 1HB ALA 96 -8.656 3.418 -1.430 777 HB3 ALA 96 2HB ALA 96 -9.939 3.503 -0.223 778 HA PRO 97 HA PRO 97 -11.313 7.144 -2.504 779 HB2 PRO 97 1HB PRO 97 -13.063 8.346 -0.748 780 HB3 PRO 97 2HB PRO 97 -13.334 6.777 -1.511 781 HG2 PRO 97 1HG PRO 97 -12.315 7.400 1.226 782 HG3 PRO 97 2HG PRO 97 -13.447 6.136 0.708 783 HD2 PRO 97 1HD PRO 97 -10.873 5.592 1.250 784 HD3 PRO 97 2HD PRO 97 -11.756 4.752 -0.040 785 H ASP 98 H ASP 98 -10.199 8.331 0.628 786 HA ASP 98 HA ASP 98 -10.089 11.083 -0.029 787 HB2 ASP 98 1HB ASP 98 -8.290 9.621 1.920 788 HB3 ASP 98 2HB ASP 98 -8.728 11.327 1.944 789 H LEU 99 H LEU 99 -7.714 8.484 -0.095 790 HA LEU 99 HA LEU 99 -5.493 9.753 -1.106 791 HB2 LEU 99 1HB LEU 99 -5.462 7.460 -0.378 792 HB3 LEU 99 2HB LEU 99 -6.616 6.993 -1.602 793 HG LEU 99 HG LEU 99 -4.145 6.318 -1.882 794 HD11 LEU 99 1HD1 LEU 99 -5.824 5.994 -3.601 795 HD12 LEU 99 2HD1 LEU 99 -4.292 6.506 -4.309 796 HD13 LEU 99 3HD1 LEU 99 -5.615 7.659 -4.139 797 HD21 LEU 99 3HD2 LEU 99 -3.152 8.487 -1.450 798 HD22 LEU 99 1HD2 LEU 99 -4.009 9.168 -2.834 799 HD23 LEU 99 2HD2 LEU 99 -2.772 7.937 -3.082 800 H ALA 100 H ALA 100 -8.256 8.428 -2.896 801 HA ALA 100 HA ALA 100 -7.324 8.966 -5.483 802 HB1 ALA 100 3HB ALA 100 -9.201 7.479 -5.052 803 HB2 ALA 100 1HB ALA 100 -9.664 8.755 -6.177 804 HB3 ALA 100 2HB ALA 100 -10.170 8.843 -4.490 805 H ASP 101 H ASP 101 -9.477 10.889 -3.394 806 HA ASP 101 HA ASP 101 -9.884 12.933 -5.309 807 HB2 ASP 101 1HB ASP 101 -11.351 12.404 -3.302 808 HB3 ASP 101 2HB ASP 101 -10.160 13.262 -2.324 809 H ALA 102 H ALA 102 -7.690 12.635 -2.564 810 HA ALA 102 HA ALA 102 -6.544 15.197 -2.707 811 HB1 ALA 102 3HB ALA 102 -5.255 12.631 -1.779 812 HB2 ALA 102 1HB ALA 102 -6.241 13.706 -0.790 813 HB3 ALA 102 2HB ALA 102 -4.692 14.264 -1.422 814 H MET 103 H MET 103 -5.589 12.131 -4.211 815 HA MET 103 HA MET 103 -3.295 12.942 -5.541 816 HB2 MET 103 1HB MET 103 -4.170 10.607 -5.397 817 HB3 MET 103 2HB MET 103 -5.387 11.030 -6.592 818 HG2 MET 103 1HG MET 103 -3.447 11.654 -8.111 819 HG3 MET 103 2HG MET 103 -2.418 10.822 -6.947 820 HE1 MET 103 3HE MET 103 -4.847 8.581 -6.127 821 HE2 MET 103 1HE MET 103 -3.107 8.302 -6.101 822 HE3 MET 103 2HE MET 103 -4.155 7.229 -7.027 823 H LYS 104 H LYS 104 -6.667 13.385 -6.393 824 HA LYS 104 HA LYS 104 -6.241 14.304 -9.039 825 HB2 LYS 104 1HB LYS 104 -8.557 14.846 -7.175 826 HB3 LYS 104 2HB LYS 104 -8.556 15.132 -8.908 827 HG2 LYS 104 1HG LYS 104 -8.393 12.783 -9.357 828 HG3 LYS 104 2HG LYS 104 -8.178 12.428 -7.642 829 HD2 LYS 104 1HD LYS 104 -10.432 13.363 -7.210 830 HD3 LYS 104 2HD LYS 104 -10.639 13.588 -8.948 831 HE2 LYS 104 1HE LYS 104 -10.403 11.189 -9.298 832 HE3 LYS 104 2HE LYS 104 -10.150 10.949 -7.571 833 HZ1 LYS 104 3HZ LYS 104 -12.382 11.805 -7.167 834 HZ2 LYS 104 1HZ LYS 104 -12.424 10.453 -8.194 835 HZ3 LYS 104 2HZ LYS 104 -12.620 12.012 -8.834 836 H GLY 105 H GLY 105 -7.093 16.085 -6.089 837 HA2 GLY 105 1HA GLY 105 -6.894 18.612 -7.428 838 HA3 GLY 105 2HA GLY 105 -7.216 18.359 -5.723 839 H TYR 106 H TYR 106 -4.637 16.702 -5.626 840 HA TYR 106 HA TYR 106 -3.018 18.744 -4.569 841 HB2 TYR 106 1HB TYR 106 -2.902 16.417 -3.821 842 HB3 TYR 106 2HB TYR 106 -2.274 15.930 -5.389 843 HD1 TYR 106 HD2 TYR 106 -1.479 18.149 -2.494 844 HD2 TYR 106 HD1 TYR 106 0.014 15.817 -5.724 845 HE1 TYR 106 HE2 TYR 106 0.818 18.514 -1.689 846 HE2 TYR 106 HE1 TYR 106 2.309 16.174 -4.930 847 HH TYR 106 HH TYR 106 3.565 17.760 -3.585 848 H ARG 107 H ARG 107 -3.471 17.818 -7.791 849 HA ARG 107 HA ARG 107 -0.801 18.474 -8.692 850 HB2 ARG 107 1HB ARG 107 -3.295 17.920 -10.302 851 HB3 ARG 107 2HB ARG 107 -1.648 17.971 -10.919 852 HG2 ARG 107 1HG ARG 107 -1.061 16.032 -9.584 853 HG3 ARG 107 2HG ARG 107 -2.685 16.000 -8.891 854 HD2 ARG 107 1HD ARG 107 -1.941 15.577 -11.780 855 HD3 ARG 107 2HD ARG 107 -2.511 14.354 -10.647 856 HE ARG 107 HE ARG 107 -4.472 16.273 -10.690 857 HH11 ARG 107 1HH1 ARG 107 -2.947 14.154 -13.022 858 HH12 ARG 107 2HH1 ARG 107 -4.337 14.099 -14.072 859 HH21 ARG 107 1HH2 ARG 107 -6.295 16.227 -12.075 860 HH22 ARG 107 2HH2 ARG 107 -6.230 15.298 -13.547 861 H LYS 108 H LYS 108 -3.392 20.270 -7.747 862 HA LYS 108 HA LYS 108 -3.970 22.449 -7.899 863 HB2 LYS 108 1HB LYS 108 -1.521 22.742 -7.485 864 HB3 LYS 108 2HB LYS 108 -1.280 22.848 -9.224 865 HG2 LYS 108 1HG LYS 108 -2.679 24.838 -9.309 866 HG3 LYS 108 2HG LYS 108 -2.963 24.722 -7.574 867 HD2 LYS 108 1HD LYS 108 -0.641 25.128 -7.111 868 HD3 LYS 108 2HD LYS 108 -0.246 25.054 -8.830 869 HE2 LYS 108 1HE LYS 108 -0.367 27.367 -7.973 870 HE3 LYS 108 2HE LYS 108 -1.523 27.047 -9.263 871 HZ1 LYS 108 3HZ LYS 108 -2.174 27.030 -6.361 872 HZ2 LYS 108 1HZ LYS 108 -3.272 26.838 -7.642 873 HZ3 LYS 108 2HZ LYS 108 -2.480 28.320 -7.420 874 H LYS 109 H LYS 109 -4.748 20.679 -10.007 875 HA LYS 109 HA LYS 109 -5.173 22.700 -12.114 876 HB2 LYS 109 1HB LYS 109 -5.224 19.681 -12.340 877 HB3 LYS 109 2HB LYS 109 -5.668 20.788 -13.632 878 HG2 LYS 109 1HG LYS 109 -3.390 21.702 -13.607 879 HG3 LYS 109 2HG LYS 109 -2.956 20.546 -12.347 880 HD2 LYS 109 1HD LYS 109 -3.416 18.695 -13.841 881 HD3 LYS 109 2HD LYS 109 -3.968 19.810 -15.092 882 HE2 LYS 109 1HE LYS 109 -1.708 20.820 -15.123 883 HE3 LYS 109 2HE LYS 109 -1.179 19.595 -13.968 884 HZ1 LYS 109 3HZ LYS 109 -0.650 19.060 -16.304 885 HZ2 LYS 109 1HZ LYS 109 -2.307 18.996 -16.648 886 HZ3 LYS 109 2HZ LYS 109 -1.622 17.885 -15.561 887 H ASN 110 H ASN 110 -6.474 21.876 -9.472 888 HA ASN 110 HA ASN 110 -9.209 22.178 -10.353 889 HB2 ASN 110 1HB ASN 110 -8.979 19.739 -10.393 890 HB3 ASN 110 2HB ASN 110 -8.333 19.754 -8.756 891 HD21 ASN 110 2HD2 ASN 110 -9.722 20.095 -7.025 892 HD22 ASN 110 1HD2 ASN 110 -11.437 19.977 -7.185 893 H LEU 111 H LEU 111 -10.039 23.689 -9.049 894 HA LEU 111 HA LEU 111 -8.823 24.045 -6.396 895 HB2 LEU 111 1HB LEU 111 -8.687 25.952 -7.974 896 HB3 LEU 111 2HB LEU 111 -10.438 25.999 -8.041 897 HG LEU 111 HG LEU 111 -10.494 26.535 -5.622 898 HD11 LEU 111 1HD1 LEU 111 -8.428 27.199 -4.497 899 HD12 LEU 111 2HD1 LEU 111 -7.497 26.691 -5.906 900 HD13 LEU 111 3HD1 LEU 111 -8.393 25.499 -4.965 901 HD21 LEU 111 3HD2 LEU 111 -10.578 28.325 -7.264 902 HD22 LEU 111 1HD2 LEU 111 -8.816 28.384 -7.313 903 HD23 LEU 111 2HD2 LEU 111 -9.671 28.835 -5.839 904 H GLU 112 H GLU 112 -10.103 24.265 -4.565 905 HA GLU 112 HA GLU 112 -12.539 22.845 -4.480 906 HB2 GLU 112 1HB GLU 112 -11.421 24.814 -2.474 907 HB3 GLU 112 2HB GLU 112 -12.726 23.681 -2.170 908 HG2 GLU 112 1HG GLU 112 -11.183 21.816 -2.510 909 HG3 GLU 112 2HG GLU 112 -9.873 22.962 -2.805 910 H HIS 113 H HIS 113 -14.567 23.472 -4.832 911 HA HIS 113 HA HIS 113 -15.088 26.318 -5.317 912 HB2 HIS 113 1HB HIS 113 -16.761 23.873 -5.939 913 HB3 HIS 113 2HB HIS 113 -17.221 25.530 -6.318 914 HD1 HIS 113 HD1 HIS 113 -15.486 22.667 -7.692 915 HD2 HIS 113 HD2 HIS 113 -15.318 26.790 -8.182 916 HE1 HIS 113 HE1 HIS 113 -14.258 23.044 -9.848 917 HE2 HIS 113 HE2 HIS 113 -13.901 25.533 -9.944 918 H HIS 114 H HIS 114 -15.568 23.818 -3.073 919 HA HIS 114 HA HIS 114 -17.030 25.707 -1.375 920 HB2 HIS 114 1HB HIS 114 -17.677 22.807 -1.840 921 HB3 HIS 114 2HB HIS 114 -18.083 23.585 -0.314 922 HD1 HIS 114 HD1 HIS 114 -19.776 22.627 -3.136 923 HD2 HIS 114 HD2 HIS 114 -19.430 26.306 -1.224 924 HE1 HIS 114 HE1 HIS 114 -21.788 23.962 -3.855 925 HE2 HIS 114 HE2 HIS 114 -21.587 26.170 -2.645 926 H HIS 115 H HIS 115 -15.698 26.231 0.188 927 HA HIS 115 HA HIS 115 -13.632 24.332 1.023 928 HB2 HIS 115 1HB HIS 115 -13.984 27.290 1.522 929 HB3 HIS 115 2HB HIS 115 -12.725 26.328 2.284 930 HD1 HIS 115 HD1 HIS 115 -10.723 25.632 0.845 931 HD2 HIS 115 HD2 HIS 115 -13.590 27.839 -1.210 932 HE1 HIS 115 HE1 HIS 115 -9.622 26.346 -1.299 933 HE2 HIS 115 HE2 HIS 115 -11.287 27.887 -2.393 934 H HIS 116 H HIS 116 -13.698 23.295 2.903 935 HA HIS 116 HA HIS 116 -15.708 24.087 4.901 936 HB2 HIS 116 1HB HIS 116 -13.931 21.626 4.835 937 HB3 HIS 116 2HB HIS 116 -15.238 21.930 5.969 938 HD1 HIS 116 HD1 HIS 116 -15.001 19.456 3.969 939 HD2 HIS 116 HD2 HIS 116 -17.370 22.840 3.453 940 HE1 HIS 116 HE1 HIS 116 -16.858 18.759 2.426 941 HE2 HIS 116 HE2 HIS 116 -18.191 20.859 2.013 942 H HIS 117 H HIS 117 -12.459 22.756 4.998 943 HA HIS 117 HA HIS 117 -10.966 24.859 5.821 944 HB2 HIS 117 1HB HIS 117 -10.656 24.563 8.261 945 HB3 HIS 117 2HB HIS 117 -12.269 25.122 7.857 946 HD1 HIS 117 HD1 HIS 117 -14.208 23.746 8.683 947 HD2 HIS 117 HD2 HIS 117 -10.538 21.847 9.181 948 HE1 HIS 117 HE1 HIS 117 -14.664 21.754 10.150 949 HE2 HIS 117 HE2 HIS 117 -12.390 20.782 10.644 950 H HIS 118 H HIS 118 -11.708 21.490 6.194 951 HA HIS 118 HA HIS 118 -9.633 20.699 4.564 952 HB2 HIS 118 1HB HIS 118 -8.139 19.451 6.007 953 HB3 HIS 118 2HB HIS 118 -8.135 21.134 6.505 954 HD1 HIS 118 HD1 HIS 118 -7.689 21.091 8.918 955 HD2 HIS 118 HD2 HIS 118 -10.460 18.183 7.832 956 HE1 HIS 118 HE1 HIS 118 -8.431 20.015 11.070 957 HE2 HIS 118 HE2 HIS 118 -9.904 18.098 10.354 Start of MODEL 20 1 H1 SER 1 1H SER 1 -4.721 -0.092 18.470 2 H2 SER 1 2H SER 1 -5.183 1.442 19.010 3 H3 SER 1 3H SER 1 -4.521 0.318 20.095 4 HA SER 1 HA SER 1 -3.055 1.366 17.759 5 HB2 SER 1 1HB SER 1 -3.680 3.188 19.374 6 HB3 SER 1 2HB SER 1 -2.817 2.304 20.632 7 HG SER 1 HG SER 1 -1.635 3.157 18.184 8 H SER 2 H SER 2 -1.742 -0.294 17.284 9 HA SER 2 HA SER 2 -0.100 -1.451 19.382 10 HB2 SER 2 1HB SER 2 -1.945 -3.182 17.714 11 HB3 SER 2 2HB SER 2 -0.745 -3.766 18.867 12 HG SER 2 HG SER 2 -1.925 -2.819 20.531 13 H ASN 3 H ASN 3 1.587 -2.872 18.506 14 HA ASN 3 HA ASN 3 2.781 -1.803 16.167 15 HB2 ASN 3 1HB ASN 3 3.407 -4.295 17.763 16 HB3 ASN 3 2HB ASN 3 4.393 -3.729 16.420 17 HD21 ASN 3 2HD2 ASN 3 5.700 -1.940 16.696 18 HD22 ASN 3 1HD2 ASN 3 5.998 -1.232 18.247 19 H ASN 4 H ASN 4 0.739 -4.556 16.781 20 HA ASN 4 HA ASN 4 1.155 -5.799 14.231 21 HB2 ASN 4 1HB ASN 4 0.408 -6.941 16.376 22 HB3 ASN 4 2HB ASN 4 -1.173 -6.220 16.109 23 HD21 ASN 4 2HD2 ASN 4 -2.122 -8.241 15.965 24 HD22 ASN 4 1HD2 ASN 4 -1.926 -9.257 14.579 25 H ASN 5 H ASN 5 -0.306 -2.977 15.030 26 HA ASN 5 HA ASN 5 -2.434 -3.213 13.026 27 HB2 ASN 5 1HB ASN 5 -1.904 -1.130 15.152 28 HB3 ASN 5 2HB ASN 5 -3.112 -0.922 13.890 29 HD21 ASN 5 2HD2 ASN 5 -4.827 -0.859 15.283 30 HD22 ASN 5 1HD2 ASN 5 -5.385 -2.247 16.158 31 H SER 6 H SER 6 0.741 -2.488 13.063 32 HA SER 6 HA SER 6 0.711 -0.057 11.538 33 HB2 SER 6 1HB SER 6 3.111 -0.371 11.307 34 HB3 SER 6 2HB SER 6 2.642 -0.682 12.976 35 HG SER 6 HG SER 6 3.961 -2.275 11.346 36 H PHE 7 H PHE 7 1.416 0.125 9.335 37 HA PHE 7 HA PHE 7 0.073 -1.635 7.613 38 HB2 PHE 7 1HB PHE 7 0.737 0.791 7.170 39 HB3 PHE 7 2HB PHE 7 2.335 0.174 6.767 40 HD1 PHE 7 HD2 PHE 7 -1.201 0.230 5.784 41 HD2 PHE 7 HD1 PHE 7 2.738 -0.976 4.708 42 HE1 PHE 7 HE2 PHE 7 -1.968 -0.224 3.490 43 HE2 PHE 7 HE1 PHE 7 1.976 -1.432 2.411 44 HZ PHE 7 HZ PHE 7 -0.379 -1.058 1.802 45 H SER 8 H SER 8 3.457 -1.414 8.583 46 HA SER 8 HA SER 8 4.562 -3.282 6.838 47 HB2 SER 8 1HB SER 8 6.293 -3.572 8.649 48 HB3 SER 8 2HB SER 8 5.988 -1.896 8.188 49 HG SER 8 HG SER 8 5.788 -3.006 10.600 50 H ALA 9 H ALA 9 3.054 -3.755 10.007 51 HA ALA 9 HA ALA 9 3.629 -6.504 10.243 52 HB1 ALA 9 3HB ALA 9 1.958 -6.500 12.026 53 HB2 ALA 9 1HB ALA 9 1.402 -4.909 11.506 54 HB3 ALA 9 2HB ALA 9 3.030 -5.105 12.154 55 H ILE 10 H ILE 10 0.669 -4.813 9.237 56 HA ILE 10 HA ILE 10 -0.772 -7.190 8.676 57 HB ILE 10 HB ILE 10 -1.291 -4.415 7.594 58 HG12 ILE 10 1HG1 ILE 10 -2.328 -5.746 10.109 59 HG13 ILE 10 2HG1 ILE 10 -1.124 -4.461 10.061 60 HG21 ILE 10 1HG2 ILE 10 -2.519 -6.176 6.422 61 HG22 ILE 10 2HG2 ILE 10 -3.607 -5.184 7.392 62 HG23 ILE 10 3HG2 ILE 10 -3.130 -6.783 7.963 63 HD11 ILE 10 3HD1 ILE 10 -3.317 -3.609 10.654 64 HD12 ILE 10 1HD1 ILE 10 -3.980 -4.234 9.144 65 HD13 ILE 10 2HD1 ILE 10 -2.775 -2.945 9.111 66 H TYR 11 H TYR 11 1.303 -5.096 6.752 67 HA TYR 11 HA TYR 11 0.627 -6.104 4.216 68 HB2 TYR 11 1HB TYR 11 1.949 -4.056 4.453 69 HB3 TYR 11 2HB TYR 11 3.289 -4.985 5.124 70 HD1 TYR 11 HD2 TYR 11 1.205 -4.583 2.086 71 HD2 TYR 11 HD1 TYR 11 4.875 -5.991 3.708 72 HE1 TYR 11 HE2 TYR 11 2.027 -5.034 -0.182 73 HE2 TYR 11 HE1 TYR 11 5.710 -6.446 1.441 74 HH TYR 11 HH TYR 11 4.756 -6.902 -0.810 75 H LYS 12 H LYS 12 3.220 -7.115 6.478 76 HA LYS 12 HA LYS 12 4.221 -9.124 4.755 77 HB2 LYS 12 1HB LYS 12 5.535 -8.287 6.656 78 HB3 LYS 12 2HB LYS 12 4.382 -9.010 7.774 79 HG2 LYS 12 1HG LYS 12 4.921 -11.228 6.872 80 HG3 LYS 12 2HG LYS 12 6.105 -10.490 5.796 81 HD2 LYS 12 1HD LYS 12 7.378 -9.707 7.722 82 HD3 LYS 12 2HD LYS 12 6.176 -10.410 8.809 83 HE2 LYS 12 1HE LYS 12 7.814 -11.955 6.801 84 HE3 LYS 12 2HE LYS 12 8.171 -11.845 8.526 85 HZ1 LYS 12 3HZ LYS 12 5.635 -12.922 7.426 86 HZ2 LYS 12 1HZ LYS 12 6.155 -12.978 9.038 87 HZ3 LYS 12 2HZ LYS 12 6.962 -13.882 7.851 88 H GLU 13 H GLU 13 1.744 -9.133 7.234 89 HA GLU 13 HA GLU 13 1.219 -11.880 7.364 90 HB2 GLU 13 1HB GLU 13 0.353 -10.087 8.885 91 HB3 GLU 13 2HB GLU 13 -0.745 -9.594 7.610 92 HG2 GLU 13 1HG GLU 13 -1.899 -11.700 7.726 93 HG3 GLU 13 2HG GLU 13 -0.735 -12.305 8.909 94 H TRP 14 H TRP 14 -0.271 -9.351 5.397 95 HA TRP 14 HA TRP 14 -1.881 -11.016 3.791 96 HB2 TRP 14 1HB TRP 14 -2.382 -8.695 3.971 97 HB3 TRP 14 2HB TRP 14 -0.766 -8.231 3.465 98 HD1 TRP 14 HD1 TRP 14 -4.072 -9.572 2.012 99 HE1 TRP 14 HE1 TRP 14 -4.137 -8.982 -0.503 100 HE3 TRP 14 HE3 TRP 14 0.657 -7.718 1.511 101 HZ2 TRP 14 HZ2 TRP 14 -2.388 -7.881 -2.432 102 HZ3 TRP 14 HZ3 TRP 14 1.385 -6.912 -0.690 103 HH2 TRP 14 HH2 TRP 14 -0.105 -6.993 -2.623 104 H TYR 15 H TYR 15 1.385 -9.719 3.360 105 HA TYR 15 HA TYR 15 1.881 -10.616 0.755 106 HB2 TYR 15 1HB TYR 15 3.359 -9.015 1.748 107 HB3 TYR 15 2HB TYR 15 3.765 -10.115 3.061 108 HD1 TYR 15 HD2 TYR 15 3.813 -10.119 -0.679 109 HD2 TYR 15 HD1 TYR 15 5.827 -11.143 2.926 110 HE1 TYR 15 HE2 TYR 15 5.701 -10.985 -1.988 111 HE2 TYR 15 HE1 TYR 15 7.724 -12.016 1.625 112 HH TYR 15 HH TYR 15 8.099 -11.403 -1.695 113 H GLU 16 H GLU 16 2.592 -12.188 3.872 114 HA GLU 16 HA GLU 16 3.921 -14.420 2.819 115 HB2 GLU 16 1HB GLU 16 3.642 -13.579 5.283 116 HB3 GLU 16 2HB GLU 16 2.228 -14.624 5.287 117 HG2 GLU 16 1HG GLU 16 3.831 -16.026 6.124 118 HG3 GLU 16 2HG GLU 16 3.891 -16.421 4.405 119 H HIS 17 H HIS 17 0.493 -13.843 3.486 120 HA HIS 17 HA HIS 17 -0.390 -16.442 2.754 121 HB2 HIS 17 1HB HIS 17 -1.748 -14.895 4.110 122 HB3 HIS 17 2HB HIS 17 -1.889 -13.808 2.736 123 HD1 HIS 17 HD1 HIS 17 -3.203 -17.053 4.091 124 HD2 HIS 17 HD2 HIS 17 -3.749 -14.560 0.799 125 HE1 HIS 17 HE1 HIS 17 -5.301 -17.864 2.955 126 HE2 HIS 17 HE2 HIS 17 -5.546 -16.414 0.902 127 H LYS 18 H LYS 18 -0.213 -13.368 0.961 128 HA LYS 18 HA LYS 18 -1.199 -14.414 -1.493 129 HB2 LYS 18 1HB LYS 18 0.204 -11.912 -0.667 130 HB3 LYS 18 2HB LYS 18 0.090 -12.292 -2.378 131 HG2 LYS 18 1HG LYS 18 -2.288 -12.129 -0.543 132 HG3 LYS 18 2HG LYS 18 -1.691 -10.779 -1.512 133 HD2 LYS 18 1HD LYS 18 -1.899 -12.414 -3.502 134 HD3 LYS 18 2HD LYS 18 -2.925 -13.359 -2.420 135 HE2 LYS 18 1HE LYS 18 -3.359 -10.465 -3.152 136 HE3 LYS 18 2HE LYS 18 -4.212 -11.832 -3.864 137 HZ1 LYS 18 3HZ LYS 18 -4.246 -11.440 -0.951 138 HZ2 LYS 18 1HZ LYS 18 -5.375 -12.227 -1.934 139 HZ3 LYS 18 2HZ LYS 18 -5.282 -10.528 -1.929 140 H LYS 19 H LYS 19 1.775 -14.720 0.069 141 HA LYS 19 HA LYS 19 3.574 -14.817 -2.086 142 HB2 LYS 19 1HB LYS 19 4.209 -14.622 0.299 143 HB3 LYS 19 2HB LYS 19 3.680 -16.275 0.561 144 HG2 LYS 19 1HG LYS 19 5.405 -17.034 -1.034 145 HG3 LYS 19 2HG LYS 19 5.975 -15.366 -1.155 146 HD2 LYS 19 1HD LYS 19 6.401 -15.351 1.261 147 HD3 LYS 19 2HD LYS 19 5.856 -17.028 1.359 148 HE2 LYS 19 1HE LYS 19 7.659 -17.661 -0.202 149 HE3 LYS 19 2HE LYS 19 8.228 -15.993 -0.180 150 HZ1 LYS 19 3HZ LYS 19 9.504 -17.290 1.358 151 HZ2 LYS 19 1HZ LYS 19 8.106 -17.853 2.131 152 HZ3 LYS 19 2HZ LYS 19 8.537 -16.216 2.238 153 H GLN 20 H GLN 20 1.180 -17.043 -0.990 154 HA GLN 20 HA GLN 20 2.358 -19.265 -2.469 155 HB2 GLN 20 1HB GLN 20 -0.261 -19.165 -0.966 156 HB3 GLN 20 2HB GLN 20 0.554 -20.605 -1.562 157 HG2 GLN 20 1HG GLN 20 2.443 -20.096 -0.037 158 HG3 GLN 20 2HG GLN 20 1.490 -18.769 0.627 159 HE21 GLN 20 2HE2 GLN 20 2.510 -21.124 1.961 160 HE22 GLN 20 1HE2 GLN 20 1.130 -21.947 2.619 161 H VAL 21 H VAL 21 0.597 -16.612 -3.206 162 HA VAL 21 HA VAL 21 -1.163 -17.932 -5.134 163 HB VAL 21 HB VAL 21 -1.022 -15.004 -4.394 164 HG11 VAL 21 1HG1 VAL 21 -3.077 -16.540 -5.981 165 HG12 VAL 21 2HG1 VAL 21 -1.939 -15.351 -6.616 166 HG13 VAL 21 3HG1 VAL 21 -3.208 -14.848 -5.499 167 HG21 VAL 21 3HG2 VAL 21 -3.056 -15.403 -3.101 168 HG22 VAL 21 1HG2 VAL 21 -1.715 -16.373 -2.495 169 HG23 VAL 21 2HG2 VAL 21 -2.968 -17.121 -3.483 170 H TRP 22 H TRP 22 1.320 -15.416 -4.975 171 HA TRP 22 HA TRP 22 1.588 -15.460 -7.885 172 HB2 TRP 22 1HB TRP 22 3.108 -13.757 -5.900 173 HB3 TRP 22 2HB TRP 22 3.022 -13.529 -7.643 174 HD1 TRP 22 HD1 TRP 22 -0.042 -13.553 -8.174 175 HE1 TRP 22 HE1 TRP 22 -1.560 -11.698 -7.228 176 HE3 TRP 22 HE3 TRP 22 2.954 -11.923 -4.370 177 HZ2 TRP 22 HZ2 TRP 22 -1.485 -9.790 -5.144 178 HZ3 TRP 22 HZ3 TRP 22 2.166 -10.076 -2.951 179 HH2 TRP 22 HH2 TRP 22 -0.011 -9.034 -3.330 180 H SER 23 H SER 23 4.034 -15.235 -8.577 181 HA SER 23 HA SER 23 5.414 -17.586 -7.622 182 HB2 SER 23 1HB SER 23 7.129 -16.876 -9.345 183 HB3 SER 23 2HB SER 23 5.516 -17.176 -9.990 184 HG SER 23 HG SER 23 5.279 -15.103 -10.427 185 H VAL 24 H VAL 24 7.377 -17.596 -6.483 186 HA VAL 24 HA VAL 24 7.630 -15.640 -4.511 187 HB VAL 24 HB VAL 24 8.442 -17.952 -4.247 188 HG11 VAL 24 1HG1 VAL 24 9.470 -18.279 -6.421 189 HG12 VAL 24 2HG1 VAL 24 10.628 -18.605 -5.130 190 HG13 VAL 24 3HG1 VAL 24 10.713 -17.090 -6.030 191 HG21 VAL 24 3HG2 VAL 24 9.201 -16.243 -2.701 192 HG22 VAL 24 1HG2 VAL 24 10.543 -15.842 -3.773 193 HG23 VAL 24 2HG2 VAL 24 10.480 -17.423 -2.993 194 H GLY 25 H GLY 25 9.288 -15.938 -7.612 195 HA2 GLY 25 1HA GLY 25 11.275 -13.991 -7.168 196 HA3 GLY 25 2HA GLY 25 10.644 -14.467 -8.738 197 H TYR 26 H TYR 26 8.073 -13.714 -8.670 198 HA TYR 26 HA TYR 26 8.246 -10.900 -9.044 199 HB2 TYR 26 1HB TYR 26 6.771 -12.341 -10.402 200 HB3 TYR 26 2HB TYR 26 5.805 -12.688 -8.973 201 HD1 TYR 26 HD2 TYR 26 6.956 -9.860 -11.105 202 HD2 TYR 26 HD1 TYR 26 3.973 -11.345 -8.459 203 HE1 TYR 26 HE2 TYR 26 5.562 -7.894 -11.582 204 HE2 TYR 26 HE1 TYR 26 2.568 -9.382 -8.932 205 HH TYR 26 HH TYR 26 3.220 -7.246 -11.513 206 H ALA 27 H ALA 27 6.866 -12.980 -6.553 207 HA ALA 27 HA ALA 27 5.499 -11.009 -5.094 208 HB1 ALA 27 3HB ALA 27 5.530 -12.587 -3.241 209 HB2 ALA 27 1HB ALA 27 6.772 -13.538 -4.057 210 HB3 ALA 27 2HB ALA 27 5.158 -13.410 -4.755 211 H THR 28 H THR 28 8.861 -12.119 -4.918 212 HA THR 28 HA THR 28 9.559 -10.591 -2.646 213 HB THR 28 HB THR 28 11.335 -11.572 -4.892 214 HG1 THR 28 HG1 THR 28 10.493 -13.358 -3.953 215 HG21 THR 28 3HG2 THR 28 13.155 -11.388 -3.256 216 HG22 THR 28 1HG2 THR 28 12.035 -10.686 -2.089 217 HG23 THR 28 2HG2 THR 28 12.419 -9.817 -3.575 218 H GLU 29 H GLU 29 9.764 -9.916 -6.135 219 HA GLU 29 HA GLU 29 10.900 -7.339 -5.884 220 HB2 GLU 29 1HB GLU 29 9.207 -8.585 -8.048 221 HB3 GLU 29 2HB GLU 29 9.885 -6.969 -8.180 222 HG2 GLU 29 1HG GLU 29 12.137 -7.921 -7.932 223 HG3 GLU 29 2HG GLU 29 11.426 -9.534 -7.877 224 H LEU 30 H LEU 30 7.556 -8.452 -6.131 225 HA LEU 30 HA LEU 30 6.247 -6.001 -6.077 226 HB2 LEU 30 1HB LEU 30 5.240 -8.254 -6.496 227 HB3 LEU 30 2HB LEU 30 5.355 -8.582 -4.781 228 HG LEU 30 HG LEU 30 3.795 -6.201 -5.710 229 HD11 LEU 30 1HD1 LEU 30 2.807 -9.049 -5.673 230 HD12 LEU 30 2HD1 LEU 30 3.014 -8.036 -7.103 231 HD13 LEU 30 3HD1 LEU 30 1.804 -7.613 -5.890 232 HD21 LEU 30 3HD2 LEU 30 2.488 -6.684 -3.714 233 HD22 LEU 30 1HD2 LEU 30 4.197 -6.535 -3.310 234 HD23 LEU 30 2HD2 LEU 30 3.451 -8.129 -3.415 235 H ALA 31 H ALA 31 7.227 -8.095 -3.379 236 HA ALA 31 HA ALA 31 6.303 -6.369 -1.347 237 HB1 ALA 31 3HB ALA 31 6.703 -8.712 -0.902 238 HB2 ALA 31 1HB ALA 31 7.693 -7.717 0.167 239 HB3 ALA 31 2HB ALA 31 8.426 -8.505 -1.230 240 H LYS 32 H LYS 32 9.406 -6.614 -3.047 241 HA LYS 32 HA LYS 32 10.803 -4.838 -1.329 242 HB2 LYS 32 1HB LYS 32 11.973 -6.350 -2.895 243 HB3 LYS 32 2HB LYS 32 11.348 -5.413 -4.249 244 HG2 LYS 32 1HG LYS 32 12.548 -3.446 -3.462 245 HG3 LYS 32 2HG LYS 32 13.155 -4.358 -2.082 246 HD2 LYS 32 1HD LYS 32 14.290 -5.896 -3.664 247 HD3 LYS 32 2HD LYS 32 13.759 -4.858 -4.993 248 HE2 LYS 32 1HE LYS 32 15.460 -3.960 -2.670 249 HE3 LYS 32 2HE LYS 32 16.080 -4.397 -4.260 250 HZ1 LYS 32 3HZ LYS 32 13.992 -2.341 -4.092 251 HZ2 LYS 32 1HZ LYS 32 15.253 -2.509 -5.208 252 HZ3 LYS 32 2HZ LYS 32 15.573 -1.918 -3.654 253 H MET 33 H MET 33 8.827 -4.386 -4.191 254 HA MET 33 HA MET 33 9.323 -1.665 -4.635 255 HB2 MET 33 1HB MET 33 8.083 -3.136 -6.195 256 HB3 MET 33 2HB MET 33 6.746 -3.196 -5.056 257 HG2 MET 33 1HG MET 33 6.388 -0.812 -5.314 258 HG3 MET 33 2HG MET 33 7.767 -0.709 -6.407 259 HE1 MET 33 3HE MET 33 5.102 -3.597 -6.221 260 HE2 MET 33 1HE MET 33 3.896 -3.030 -7.378 261 HE3 MET 33 2HE MET 33 4.158 -2.147 -5.873 262 H PHE 34 H PHE 34 7.075 -3.333 -2.485 263 HA PHE 34 HA PHE 34 5.991 -0.913 -1.413 264 HB2 PHE 34 1HB PHE 34 5.795 -3.807 -0.661 265 HB3 PHE 34 2HB PHE 34 5.211 -2.564 0.443 266 HD1 PHE 34 HD2 PHE 34 4.888 -3.728 -3.076 267 HD2 PHE 34 HD1 PHE 34 3.083 -1.701 0.200 268 HE1 PHE 34 HE2 PHE 34 2.777 -3.591 -4.329 269 HE2 PHE 34 HE1 PHE 34 0.969 -1.558 -1.047 270 HZ PHE 34 HZ PHE 34 0.818 -2.502 -3.313 271 H ASP 35 H ASP 35 8.516 -3.186 -0.381 272 HA ASP 35 HA ASP 35 9.136 -2.069 2.085 273 HB2 ASP 35 1HB ASP 35 10.950 -3.284 0.001 274 HB3 ASP 35 2HB ASP 35 11.537 -2.755 1.569 275 H ASP 36 H ASP 36 10.477 -1.234 -1.091 276 HA ASP 36 HA ASP 36 12.267 0.683 0.003 277 HB2 ASP 36 1HB ASP 36 12.557 -0.695 -2.122 278 HB3 ASP 36 2HB ASP 36 11.491 0.474 -2.897 279 H ASP 37 H ASP 37 9.102 0.978 -1.591 280 HA ASP 37 HA ASP 37 9.423 3.897 -1.402 281 HB2 ASP 37 1HB ASP 37 7.668 2.252 -3.216 282 HB3 ASP 37 2HB ASP 37 7.570 4.006 -3.090 283 H ILE 38 H ILE 38 7.525 1.292 -0.138 284 HA ILE 38 HA ILE 38 5.496 3.186 0.791 285 HB ILE 38 HB ILE 38 5.550 0.204 0.619 286 HG12 ILE 38 1HG1 ILE 38 3.053 0.855 0.025 287 HG13 ILE 38 2HG1 ILE 38 3.760 2.444 -0.224 288 HG21 ILE 38 1HG2 ILE 38 5.027 0.556 2.958 289 HG22 ILE 38 2HG2 ILE 38 3.592 0.016 2.085 290 HG23 ILE 38 3HG2 ILE 38 3.770 1.714 2.524 291 HD11 ILE 38 3HD1 ILE 38 3.689 1.388 -2.325 292 HD12 ILE 38 1HD1 ILE 38 4.372 -0.105 -1.680 293 HD13 ILE 38 2HD1 ILE 38 5.378 1.341 -1.807 294 H LEU 39 H LEU 39 8.008 1.019 2.102 295 HA LEU 39 HA LEU 39 7.177 1.249 4.790 296 HB2 LEU 39 1HB LEU 39 9.631 0.283 3.441 297 HB3 LEU 39 2HB LEU 39 9.739 0.647 5.151 298 HG LEU 39 HG LEU 39 9.262 -1.767 4.543 299 HD11 LEU 39 1HD1 LEU 39 7.735 -2.094 6.381 300 HD12 LEU 39 2HD1 LEU 39 7.235 -0.406 6.302 301 HD13 LEU 39 3HD1 LEU 39 8.883 -0.816 6.780 302 HD21 LEU 39 3HD2 LEU 39 6.542 -0.634 3.893 303 HD22 LEU 39 1HD2 LEU 39 6.936 -2.347 4.051 304 HD23 LEU 39 2HD2 LEU 39 7.657 -1.393 2.753 305 HA PRO 40 HA PRO 40 10.466 4.767 5.336 306 HB2 PRO 40 1HB PRO 40 10.716 5.918 2.642 307 HB3 PRO 40 2HB PRO 40 11.977 5.506 3.807 308 HG2 PRO 40 1HG PRO 40 11.616 4.077 1.568 309 HG3 PRO 40 2HG PRO 40 12.104 3.312 3.093 310 HD2 PRO 40 1HD PRO 40 9.391 3.440 1.822 311 HD3 PRO 40 2HD PRO 40 10.204 2.063 2.597 312 H ILE 41 H ILE 41 7.620 4.710 3.509 313 HA ILE 41 HA ILE 41 7.086 7.552 3.993 314 HB ILE 41 HB ILE 41 5.508 5.594 2.315 315 HG12 ILE 41 1HG1 ILE 41 7.717 6.103 1.349 316 HG13 ILE 41 2HG1 ILE 41 6.415 6.791 0.384 317 HG21 ILE 41 1HG2 ILE 41 5.231 8.583 2.617 318 HG22 ILE 41 2HG2 ILE 41 4.111 7.365 3.229 319 HG23 ILE 41 3HG2 ILE 41 4.323 7.572 1.489 320 HD11 ILE 41 3HD1 ILE 41 8.191 8.270 2.311 321 HD12 ILE 41 1HD1 ILE 41 6.849 8.981 1.413 322 HD13 ILE 41 2HD1 ILE 41 8.248 8.344 0.549 323 H ILE 42 H ILE 42 5.264 4.469 4.189 324 HA ILE 42 HA ILE 42 3.959 5.538 6.617 325 HB ILE 42 HB ILE 42 1.886 4.385 5.938 326 HG12 ILE 42 1HG1 ILE 42 2.998 4.134 3.162 327 HG13 ILE 42 2HG1 ILE 42 3.259 2.847 4.334 328 HG21 ILE 42 1HG2 ILE 42 2.127 6.763 5.507 329 HG22 ILE 42 2HG2 ILE 42 1.197 5.992 4.222 330 HG23 ILE 42 3HG2 ILE 42 2.887 6.420 3.951 331 HD11 ILE 42 3HD1 ILE 42 0.603 3.899 3.401 332 HD12 ILE 42 1HD1 ILE 42 0.839 2.658 4.634 333 HD13 ILE 42 2HD1 ILE 42 1.345 2.356 2.970 334 H GLY 43 H GLY 43 6.149 3.453 5.915 335 HA2 GLY 43 1HA GLY 43 5.202 0.860 6.200 336 HA3 GLY 43 2HA GLY 43 6.823 1.387 6.619 337 H GLY 44 H GLY 44 6.414 3.010 8.772 338 HA2 GLY 44 1HA GLY 44 5.679 0.978 10.744 339 HA3 GLY 44 2HA GLY 44 6.646 2.414 11.042 340 H LEU 45 H LEU 45 3.779 2.959 9.230 341 HA LEU 45 HA LEU 45 2.641 4.306 11.561 342 HB2 LEU 45 1HB LEU 45 1.848 4.402 8.648 343 HB3 LEU 45 2HB LEU 45 1.104 5.343 9.928 344 HG LEU 45 HG LEU 45 3.974 5.566 9.027 345 HD11 LEU 45 1HD1 LEU 45 1.643 7.438 8.647 346 HD12 LEU 45 2HD1 LEU 45 2.388 6.448 7.392 347 HD13 LEU 45 3HD1 LEU 45 3.311 7.742 8.157 348 HD21 LEU 45 3HD2 LEU 45 4.060 7.515 10.499 349 HD22 LEU 45 1HD2 LEU 45 3.734 6.035 11.401 350 HD23 LEU 45 2HD2 LEU 45 2.424 7.165 11.056 351 H GLU 46 H GLU 46 0.588 3.886 12.340 352 HA GLU 46 HA GLU 46 -0.406 1.236 12.021 353 HB2 GLU 46 1HB GLU 46 -1.678 3.667 13.288 354 HB3 GLU 46 2HB GLU 46 -2.360 2.049 13.354 355 HG2 GLU 46 1HG GLU 46 -0.189 1.330 14.440 356 HG3 GLU 46 2HG GLU 46 0.179 3.047 14.606 357 H ILE 47 H ILE 47 -2.061 0.481 10.781 358 HA ILE 47 HA ILE 47 -2.453 1.772 8.332 359 HB ILE 47 HB ILE 47 -2.622 -0.709 8.839 360 HG12 ILE 47 1HG1 ILE 47 -4.896 0.415 7.204 361 HG13 ILE 47 2HG1 ILE 47 -3.221 0.422 6.666 362 HG21 ILE 47 1HG2 ILE 47 -4.209 -0.592 10.676 363 HG22 ILE 47 2HG2 ILE 47 -4.845 -1.586 9.366 364 HG23 ILE 47 3HG2 ILE 47 -5.438 0.059 9.591 365 HD11 ILE 47 3HD1 ILE 47 -4.865 -2.013 7.301 366 HD12 ILE 47 1HD1 ILE 47 -3.181 -2.015 6.778 367 HD13 ILE 47 2HD1 ILE 47 -4.441 -1.424 5.695 368 H GLN 48 H GLN 48 -4.211 2.056 11.302 369 HA GLN 48 HA GLN 48 -6.451 3.382 9.978 370 HB2 GLN 48 1HB GLN 48 -6.876 1.750 11.812 371 HB3 GLN 48 2HB GLN 48 -6.025 2.815 12.922 372 HG2 GLN 48 1HG GLN 48 -7.684 4.540 12.584 373 HG3 GLN 48 2HG GLN 48 -8.516 3.538 11.399 374 HE21 GLN 48 2HE2 GLN 48 -9.515 4.683 13.865 375 HE22 GLN 48 1HE2 GLN 48 -10.072 3.360 14.830 376 H ASP 49 H ASP 49 -3.444 4.193 11.075 377 HA ASP 49 HA ASP 49 -4.241 6.891 11.954 378 HB2 ASP 49 1HB ASP 49 -2.903 5.578 13.568 379 HB3 ASP 49 2HB ASP 49 -1.623 5.425 12.372 380 H ILE 50 H ILE 50 -2.988 5.160 9.381 381 HA ILE 50 HA ILE 50 -1.006 6.828 8.338 382 HB ILE 50 HB ILE 50 -2.908 4.946 6.941 383 HG12 ILE 50 1HG1 ILE 50 0.022 4.691 7.641 384 HG13 ILE 50 2HG1 ILE 50 -1.296 3.977 8.565 385 HG21 ILE 50 1HG2 ILE 50 -2.148 6.632 5.348 386 HG22 ILE 50 2HG2 ILE 50 -1.417 5.065 5.003 387 HG23 ILE 50 3HG2 ILE 50 -0.473 6.321 5.805 388 HD11 ILE 50 3HD1 ILE 50 -0.240 2.336 7.144 389 HD12 ILE 50 1HD1 ILE 50 -0.563 3.328 5.722 390 HD13 ILE 50 2HD1 ILE 50 -1.901 2.620 6.626 391 H GLU 51 H GLU 51 -1.032 8.703 7.378 392 HA GLU 51 HA GLU 51 -3.408 10.249 7.105 393 HB2 GLU 51 1HB GLU 51 -0.702 10.858 5.912 394 HB3 GLU 51 2HB GLU 51 -1.952 12.003 6.379 395 HG2 GLU 51 1HG GLU 51 -0.571 10.233 8.368 396 HG3 GLU 51 2HG GLU 51 0.064 11.807 7.897 397 HA PRO 52 HA PRO 52 -4.553 8.806 3.021 398 HB2 PRO 52 1HB PRO 52 -6.105 10.995 2.366 399 HB3 PRO 52 2HB PRO 52 -6.670 9.610 3.306 400 HG2 PRO 52 1HG PRO 52 -5.723 12.283 4.249 401 HG3 PRO 52 2HG PRO 52 -7.069 11.294 4.846 402 HD2 PRO 52 1HD PRO 52 -4.729 11.419 6.151 403 HD3 PRO 52 2HD PRO 52 -5.671 9.914 6.078 404 H MET 53 H MET 53 -3.413 12.086 3.632 405 HA MET 53 HA MET 53 -2.689 12.600 0.909 406 HB2 MET 53 1HB MET 53 -1.835 14.012 3.446 407 HB3 MET 53 2HB MET 53 -1.594 14.613 1.812 408 HG2 MET 53 1HG MET 53 -3.997 14.753 1.487 409 HG3 MET 53 2HG MET 53 -4.265 14.103 3.103 410 HE1 MET 53 3HE MET 53 -5.651 16.761 2.157 411 HE2 MET 53 1HE MET 53 -5.395 17.798 3.559 412 HE3 MET 53 2HE MET 53 -5.820 16.102 3.784 413 H GLN 54 H GLN 54 -1.215 11.033 3.593 414 HA GLN 54 HA GLN 54 1.451 11.206 2.463 415 HB2 GLN 54 1HB GLN 54 1.015 11.268 4.941 416 HB3 GLN 54 2HB GLN 54 0.546 9.576 4.836 417 HG2 GLN 54 1HG GLN 54 2.712 8.896 4.273 418 HG3 GLN 54 2HG GLN 54 3.215 10.538 3.879 419 HE21 GLN 54 2HE2 GLN 54 4.429 8.643 5.687 420 HE22 GLN 54 1HE2 GLN 54 4.465 9.416 7.237 421 H LEU 55 H LEU 55 -1.245 9.004 2.621 422 HA LEU 55 HA LEU 55 0.039 6.787 1.418 423 HB2 LEU 55 1HB LEU 55 -2.236 6.743 2.455 424 HB3 LEU 55 2HB LEU 55 -2.832 7.680 1.098 425 HG LEU 55 HG LEU 55 -2.275 5.837 -0.428 426 HD11 LEU 55 1HD1 LEU 55 -0.394 4.894 0.809 427 HD12 LEU 55 2HD1 LEU 55 -1.608 3.665 0.461 428 HD13 LEU 55 3HD1 LEU 55 -1.491 4.355 2.080 429 HD21 LEU 55 3HD2 LEU 55 -4.505 5.941 0.530 430 HD22 LEU 55 1HD2 LEU 55 -3.961 5.025 1.935 431 HD23 LEU 55 2HD2 LEU 55 -3.992 4.264 0.346 432 H LEU 56 H LEU 56 -1.297 9.792 0.241 433 HA LEU 56 HA LEU 56 -0.968 9.270 -2.526 434 HB2 LEU 56 1HB LEU 56 -2.349 11.120 -1.495 435 HB3 LEU 56 2HB LEU 56 -0.852 11.955 -1.144 436 HG LEU 56 HG LEU 56 -2.202 12.653 -3.232 437 HD11 LEU 56 1HD1 LEU 56 0.012 13.502 -2.770 438 HD12 LEU 56 2HD1 LEU 56 -0.175 13.161 -4.489 439 HD13 LEU 56 3HD1 LEU 56 0.736 12.052 -3.464 440 HD21 LEU 56 3HD2 LEU 56 -1.682 11.405 -5.263 441 HD22 LEU 56 1HD2 LEU 56 -2.578 10.415 -4.111 442 HD23 LEU 56 2HD2 LEU 56 -0.839 10.188 -4.303 443 H GLU 57 H GLU 57 1.137 10.522 0.007 444 HA GLU 57 HA GLU 57 3.348 11.285 -1.503 445 HB2 GLU 57 1HB GLU 57 3.173 11.672 0.912 446 HB3 GLU 57 2HB GLU 57 3.284 9.948 1.214 447 HG2 GLU 57 1HG GLU 57 5.397 10.852 1.704 448 HG3 GLU 57 2HG GLU 57 5.563 10.016 0.163 449 H VAL 58 H VAL 58 2.296 8.080 -0.460 450 HA VAL 58 HA VAL 58 4.489 6.591 -1.429 451 HB VAL 58 HB VAL 58 1.581 5.802 -1.162 452 HG11 VAL 58 1HG1 VAL 58 3.998 4.057 -1.615 453 HG12 VAL 58 2HG1 VAL 58 2.691 4.348 -2.764 454 HG13 VAL 58 3HG1 VAL 58 2.369 3.482 -1.260 455 HG21 VAL 58 3HG2 VAL 58 3.955 5.288 0.629 456 HG22 VAL 58 1HG2 VAL 58 2.320 4.675 0.882 457 HG23 VAL 58 2HG2 VAL 58 2.631 6.411 0.952 458 H ILE 59 H ILE 59 1.324 7.183 -2.933 459 HA ILE 59 HA ILE 59 1.905 5.976 -5.396 460 HB ILE 59 HB ILE 59 -0.162 7.877 -4.425 461 HG12 ILE 59 1HG1 ILE 59 -1.671 6.113 -5.348 462 HG13 ILE 59 2HG1 ILE 59 -0.239 5.198 -5.804 463 HG21 ILE 59 1HG2 ILE 59 -1.193 8.062 -6.641 464 HG22 ILE 59 2HG2 ILE 59 0.221 7.285 -7.350 465 HG23 ILE 59 3HG2 ILE 59 0.378 8.859 -6.570 466 HD11 ILE 59 3HD1 ILE 59 -1.033 5.965 -3.004 467 HD12 ILE 59 1HD1 ILE 59 0.414 5.060 -3.453 468 HD13 ILE 59 2HD1 ILE 59 -1.184 4.367 -3.739 469 H ARG 60 H ARG 60 2.309 9.286 -4.277 470 HA ARG 60 HA ARG 60 3.141 10.332 -6.800 471 HB2 ARG 60 1HB ARG 60 2.095 11.695 -5.036 472 HB3 ARG 60 2HB ARG 60 3.489 11.425 -4.005 473 HG2 ARG 60 1HG ARG 60 4.883 12.732 -5.384 474 HG3 ARG 60 2HG ARG 60 3.684 12.770 -6.679 475 HD2 ARG 60 1HD ARG 60 3.865 14.873 -5.296 476 HD3 ARG 60 2HD ARG 60 2.247 14.184 -5.435 477 HE ARG 60 HE ARG 60 2.286 13.655 -3.189 478 HH11 ARG 60 1HH1 ARG 60 5.435 14.813 -4.183 479 HH12 ARG 60 2HH1 ARG 60 5.994 15.057 -2.554 480 HH21 ARG 60 1HH2 ARG 60 3.017 14.000 -1.050 481 HH22 ARG 60 2HH2 ARG 60 4.625 14.580 -0.778 482 H ARG 61 H ARG 61 4.697 8.650 -4.228 483 HA ARG 61 HA ARG 61 7.388 9.281 -4.770 484 HB2 ARG 61 1HB ARG 61 6.805 8.065 -2.774 485 HB3 ARG 61 2HB ARG 61 6.083 6.770 -3.713 486 HG2 ARG 61 1HG ARG 61 8.188 6.039 -2.861 487 HG3 ARG 61 2HG ARG 61 8.312 6.225 -4.610 488 HD2 ARG 61 1HD ARG 61 9.449 8.334 -4.347 489 HD3 ARG 61 2HD ARG 61 9.228 8.273 -2.598 490 HE ARG 61 HE ARG 61 10.592 5.960 -3.536 491 HH11 ARG 61 1HH1 ARG 61 11.053 9.371 -2.824 492 HH12 ARG 61 2HH1 ARG 61 12.751 9.198 -2.465 493 HH21 ARG 61 1HH2 ARG 61 12.824 5.740 -3.065 494 HH22 ARG 61 2HH2 ARG 61 13.759 7.139 -2.628 495 H PHE 62 H PHE 62 5.226 6.767 -6.039 496 HA PHE 62 HA PHE 62 7.090 5.796 -7.971 497 HB2 PHE 62 1HB PHE 62 4.075 5.575 -7.853 498 HB3 PHE 62 2HB PHE 62 5.094 4.713 -9.002 499 HD1 PHE 62 HD1 PHE 62 6.705 3.021 -8.182 500 HD2 PHE 62 HD2 PHE 62 3.804 4.811 -5.637 501 HE1 PHE 62 HE1 PHE 62 7.007 1.197 -6.560 502 HE2 PHE 62 HE2 PHE 62 4.104 2.993 -4.009 503 HZ PHE 62 HZ PHE 62 5.707 1.183 -4.469 504 H GLU 63 H GLU 63 4.695 8.327 -7.933 505 HA GLU 63 HA GLU 63 4.425 8.884 -10.645 506 HB2 GLU 63 1HB GLU 63 3.022 9.916 -8.941 507 HB3 GLU 63 2HB GLU 63 4.408 10.776 -8.285 508 HG2 GLU 63 1HG GLU 63 4.609 11.958 -10.475 509 HG3 GLU 63 2HG GLU 63 3.091 11.200 -10.955 510 H ASP 64 H ASP 64 6.901 9.931 -8.351 511 HA ASP 64 HA ASP 64 8.233 11.808 -9.915 512 HB2 ASP 64 1HB ASP 64 8.747 11.485 -7.552 513 HB3 ASP 64 2HB ASP 64 9.396 9.882 -7.891 514 H ARG 65 H ARG 65 8.478 8.303 -9.904 515 HA ARG 65 HA ARG 65 10.648 8.392 -11.851 516 HB2 ARG 65 1HB ARG 65 9.335 6.001 -10.551 517 HB3 ARG 65 2HB ARG 65 10.795 5.977 -11.532 518 HG2 ARG 65 1HG ARG 65 11.821 7.524 -9.822 519 HG3 ARG 65 2HG ARG 65 10.415 7.191 -8.811 520 HD2 ARG 65 1HD ARG 65 12.381 5.161 -9.861 521 HD3 ARG 65 2HD ARG 65 12.286 5.757 -8.207 522 HE ARG 65 HE ARG 65 10.350 3.989 -9.530 523 HH11 ARG 65 1HH1 ARG 65 11.495 5.581 -6.637 524 HH12 ARG 65 2HH1 ARG 65 10.629 4.526 -5.553 525 HH21 ARG 65 1HH2 ARG 65 9.227 2.593 -8.126 526 HH22 ARG 65 2HH2 ARG 65 9.363 2.815 -6.395 527 H GLY 66 H GLY 66 7.501 8.817 -12.099 528 HA2 GLY 66 1HA GLY 66 6.129 8.808 -13.943 529 HA3 GLY 66 2HA GLY 66 7.452 8.109 -14.864 530 H ALA 67 H ALA 67 6.616 6.416 -12.025 531 HA ALA 67 HA ALA 67 5.681 4.192 -13.624 532 HB1 ALA 67 3HB ALA 67 7.286 3.804 -11.820 533 HB2 ALA 67 1HB ALA 67 5.787 2.915 -11.551 534 HB3 ALA 67 2HB ALA 67 6.110 4.393 -10.644 535 H MET 68 H MET 68 3.714 5.181 -14.340 536 HA MET 68 HA MET 68 1.751 6.121 -12.509 537 HB2 MET 68 1HB MET 68 1.478 5.294 -15.402 538 HB3 MET 68 2HB MET 68 0.242 6.132 -14.476 539 HG2 MET 68 1HG MET 68 2.992 7.239 -14.983 540 HG3 MET 68 2HG MET 68 1.600 7.568 -16.006 541 HE1 MET 68 3HE MET 68 2.286 7.466 -12.064 542 HE2 MET 68 1HE MET 68 2.323 9.202 -11.754 543 HE3 MET 68 2HE MET 68 3.541 8.465 -12.798 544 H GLU 69 H GLU 69 2.045 3.121 -14.403 545 HA GLU 69 HA GLU 69 -0.313 1.944 -13.412 546 HB2 GLU 69 1HB GLU 69 2.182 0.703 -14.559 547 HB3 GLU 69 2HB GLU 69 0.756 -0.229 -14.122 548 HG2 GLU 69 1HG GLU 69 -0.563 1.169 -15.691 549 HG3 GLU 69 2HG GLU 69 0.942 1.937 -16.196 550 H ARG 70 H ARG 70 3.053 1.761 -12.304 551 HA ARG 70 HA ARG 70 2.557 -0.089 -10.220 552 HB2 ARG 70 1HB ARG 70 4.750 1.974 -10.486 553 HB3 ARG 70 2HB ARG 70 4.717 0.700 -9.276 554 HG2 ARG 70 1HG ARG 70 4.717 -0.972 -11.108 555 HG3 ARG 70 2HG ARG 70 4.907 0.352 -12.258 556 HD2 ARG 70 1HD ARG 70 6.982 1.015 -11.082 557 HD3 ARG 70 2HD ARG 70 6.805 -0.396 -10.039 558 HE ARG 70 HE ARG 70 7.224 -0.543 -12.960 559 HH11 ARG 70 1HH1 ARG 70 7.679 -1.818 -9.729 560 HH12 ARG 70 2HH1 ARG 70 8.710 -3.120 -10.249 561 HH21 ARG 70 1HH2 ARG 70 8.561 -2.235 -13.648 562 HH22 ARG 70 2HH2 ARG 70 9.222 -3.357 -12.490 563 H ALA 71 H ALA 71 2.434 3.436 -10.355 564 HA ALA 71 HA ALA 71 2.132 3.932 -7.611 565 HB1 ALA 71 3HB ALA 71 1.203 6.074 -8.261 566 HB2 ALA 71 1HB ALA 71 0.937 5.488 -9.903 567 HB3 ALA 71 2HB ALA 71 2.578 5.677 -9.289 568 H ASN 72 H ASN 72 -0.311 3.394 -10.138 569 HA ASN 72 HA ASN 72 -2.489 3.537 -8.302 570 HB2 ASN 72 1HB ASN 72 -2.304 2.533 -11.140 571 HB3 ASN 72 2HB ASN 72 -3.806 2.520 -10.220 572 HD21 ASN 72 2HD2 ASN 72 -1.513 4.454 -11.925 573 HD22 ASN 72 1HD2 ASN 72 -2.406 5.932 -11.856 574 H LYS 73 H LYS 73 -0.459 0.962 -9.513 575 HA LYS 73 HA LYS 73 -2.026 -1.174 -8.493 576 HB2 LYS 73 1HB LYS 73 -0.303 -1.484 -10.238 577 HB3 LYS 73 2HB LYS 73 0.944 -1.102 -9.058 578 HG2 LYS 73 1HG LYS 73 0.772 -3.116 -8.013 579 HG3 LYS 73 2HG LYS 73 -0.934 -3.305 -8.418 580 HD2 LYS 73 1HD LYS 73 0.341 -4.926 -9.652 581 HD3 LYS 73 2HD LYS 73 -0.282 -3.717 -10.773 582 HE2 LYS 73 1HE LYS 73 1.910 -2.593 -10.739 583 HE3 LYS 73 2HE LYS 73 2.521 -3.853 -9.665 584 HZ1 LYS 73 3HZ LYS 73 1.922 -5.476 -11.448 585 HZ2 LYS 73 1HZ LYS 73 3.172 -4.404 -11.865 586 HZ3 LYS 73 2HZ LYS 73 1.607 -4.163 -12.473 587 H ALA 74 H ALA 74 0.512 0.864 -7.171 588 HA ALA 74 HA ALA 74 0.845 -0.420 -4.695 589 HB1 ALA 74 3HB ALA 74 2.295 1.420 -5.523 590 HB2 ALA 74 1HB ALA 74 1.714 1.683 -3.878 591 HB3 ALA 74 2HB ALA 74 0.974 2.555 -5.222 592 H ARG 75 H ARG 75 -1.328 2.194 -5.696 593 HA ARG 75 HA ARG 75 -2.701 2.581 -3.307 594 HB2 ARG 75 1HB ARG 75 -2.902 4.020 -5.329 595 HB3 ARG 75 2HB ARG 75 -3.850 2.754 -6.101 596 HG2 ARG 75 1HG ARG 75 -5.189 3.101 -3.751 597 HG3 ARG 75 2HG ARG 75 -4.628 4.735 -4.100 598 HD2 ARG 75 1HD ARG 75 -6.229 2.963 -5.940 599 HD3 ARG 75 2HD ARG 75 -6.832 4.357 -5.050 600 HE ARG 75 HE ARG 75 -4.645 5.001 -6.790 601 HH11 ARG 75 1HH1 ARG 75 -8.101 4.575 -6.557 602 HH12 ARG 75 2HH1 ARG 75 -8.454 5.460 -8.010 603 HH21 ARG 75 1HH2 ARG 75 -5.097 6.182 -8.734 604 HH22 ARG 75 2HH2 ARG 75 -6.744 6.393 -9.226 605 H ARG 76 H ARG 76 -3.472 0.412 -6.009 606 HA ARG 76 HA ARG 76 -5.891 -0.576 -5.028 607 HB2 ARG 76 1HB ARG 76 -4.892 -0.851 -7.353 608 HB3 ARG 76 2HB ARG 76 -3.940 -2.170 -6.684 609 HG2 ARG 76 1HG ARG 76 -6.050 -3.285 -6.014 610 HG3 ARG 76 2HG ARG 76 -6.939 -2.005 -6.843 611 HD2 ARG 76 1HD ARG 76 -5.088 -4.056 -8.032 612 HD3 ARG 76 2HD ARG 76 -6.805 -3.828 -8.353 613 HE ARG 76 HE ARG 76 -4.618 -2.492 -9.615 614 HH11 ARG 76 1HH1 ARG 76 -7.948 -2.039 -8.605 615 HH12 ARG 76 2HH1 ARG 76 -8.298 -0.867 -9.838 616 HH21 ARG 76 1HH2 ARG 76 -5.092 -0.962 -11.250 617 HH22 ARG 76 2HH2 ARG 76 -6.677 -0.256 -11.337 618 H ARG 77 H ARG 77 -2.595 -1.824 -4.646 619 HA ARG 77 HA ARG 77 -3.433 -4.105 -3.155 620 HB2 ARG 77 1HB ARG 77 -0.837 -2.931 -3.975 621 HB3 ARG 77 2HB ARG 77 -0.826 -4.026 -2.592 622 HG2 ARG 77 1HG ARG 77 -1.732 -5.801 -3.873 623 HG3 ARG 77 2HG ARG 77 -2.118 -4.724 -5.215 624 HD2 ARG 77 1HD ARG 77 0.210 -4.413 -5.701 625 HD3 ARG 77 2HD ARG 77 0.676 -5.316 -4.259 626 HE ARG 77 HE ARG 77 0.424 -7.233 -5.449 627 HH11 ARG 77 1HH1 ARG 77 -1.518 -4.778 -7.010 628 HH12 ARG 77 2HH1 ARG 77 -1.916 -5.769 -8.378 629 HH21 ARG 77 1HH2 ARG 77 -0.096 -8.548 -7.245 630 HH22 ARG 77 2HH2 ARG 77 -1.095 -7.916 -8.519 631 H CYS 78 H CYS 78 -2.122 -0.928 -2.250 632 HA CYS 78 HA CYS 78 -2.021 -1.399 0.516 633 HB2 CYS 78 1HB CYS 78 -2.656 1.160 -0.975 634 HB3 CYS 78 2HB CYS 78 -2.323 1.068 0.752 635 HG CYS 78 HG CYS 78 -0.164 0.522 -1.830 636 H GLY 79 H GLY 79 -4.647 -0.263 -1.577 637 HA2 GLY 79 1HA GLY 79 -6.635 0.040 0.355 638 HA3 GLY 79 2HA GLY 79 -6.918 -0.356 -1.333 639 H GLU 80 H GLU 80 -5.515 -2.882 -1.299 640 HA GLU 80 HA GLU 80 -7.590 -4.552 -0.307 641 HB2 GLU 80 1HB GLU 80 -6.089 -5.086 -2.269 642 HB3 GLU 80 2HB GLU 80 -4.813 -5.434 -1.109 643 HG2 GLU 80 1HG GLU 80 -6.190 -7.192 -0.119 644 HG3 GLU 80 2HG GLU 80 -7.472 -6.840 -1.275 645 H VAL 81 H VAL 81 -4.369 -3.685 0.843 646 HA VAL 81 HA VAL 81 -4.336 -5.362 3.112 647 HB VAL 81 HB VAL 81 -2.997 -2.669 2.745 648 HG11 VAL 81 1HG1 VAL 81 -2.413 -4.886 4.708 649 HG12 VAL 81 2HG1 VAL 81 -3.100 -3.309 5.093 650 HG13 VAL 81 3HG1 VAL 81 -1.448 -3.426 4.489 651 HG21 VAL 81 3HG2 VAL 81 -2.340 -4.247 1.019 652 HG22 VAL 81 1HG2 VAL 81 -1.968 -5.461 2.244 653 HG23 VAL 81 2HG2 VAL 81 -1.011 -3.982 2.147 654 H PHE 82 H PHE 82 -5.411 -1.999 2.660 655 HA PHE 82 HA PHE 82 -6.363 -1.523 5.247 656 HB2 PHE 82 1HB PHE 82 -7.185 -0.471 2.550 657 HB3 PHE 82 2HB PHE 82 -8.058 0.001 4.002 658 HD1 PHE 82 HD2 PHE 82 -6.827 1.197 5.824 659 HD2 PHE 82 HD1 PHE 82 -5.139 0.526 1.981 660 HE1 PHE 82 HE2 PHE 82 -5.176 2.974 6.240 661 HE2 PHE 82 HE1 PHE 82 -3.490 2.301 2.387 662 HZ PHE 82 HZ PHE 82 -3.504 3.528 4.520 663 H ARG 83 H ARG 83 -8.012 -2.889 2.427 664 HA ARG 83 HA ARG 83 -10.517 -3.374 3.531 665 HB2 ARG 83 1HB ARG 83 -10.054 -3.630 1.157 666 HB3 ARG 83 2HB ARG 83 -8.955 -4.961 1.485 667 HG2 ARG 83 1HG ARG 83 -10.892 -6.250 2.377 668 HG3 ARG 83 2HG ARG 83 -11.943 -4.937 1.834 669 HD2 ARG 83 1HD ARG 83 -11.182 -5.256 -0.457 670 HD3 ARG 83 2HD ARG 83 -10.085 -6.530 0.070 671 HE ARG 83 HE ARG 83 -12.993 -6.803 0.456 672 HH11 ARG 83 1HH1 ARG 83 -9.971 -7.932 -0.910 673 HH12 ARG 83 2HH1 ARG 83 -10.628 -9.447 -1.450 674 HH21 ARG 83 1HH2 ARG 83 -13.876 -8.789 -0.293 675 HH22 ARG 83 2HH2 ARG 83 -12.841 -9.920 -1.114 676 H TYR 84 H TYR 84 -7.674 -5.496 3.419 677 HA TYR 84 HA TYR 84 -8.800 -7.670 4.782 678 HB2 TYR 84 1HB TYR 84 -6.683 -7.695 3.442 679 HB3 TYR 84 2HB TYR 84 -5.890 -6.841 4.761 680 HD1 TYR 84 HD1 TYR 84 -7.909 -9.926 4.165 681 HD2 TYR 84 HD2 TYR 84 -4.744 -8.089 6.332 682 HE1 TYR 84 HE1 TYR 84 -7.394 -12.082 5.225 683 HE2 TYR 84 HE2 TYR 84 -4.219 -10.242 7.401 684 HH TYR 84 HH TYR 84 -5.513 -13.200 6.299 685 H ALA 85 H ALA 85 -7.123 -4.793 5.947 686 HA ALA 85 HA ALA 85 -6.954 -5.544 8.662 687 HB1 ALA 85 3HB ALA 85 -6.596 -3.179 9.115 688 HB2 ALA 85 1HB ALA 85 -7.132 -2.776 7.483 689 HB3 ALA 85 2HB ALA 85 -5.653 -3.708 7.722 690 H ILE 86 H ILE 86 -9.487 -3.954 6.789 691 HA ILE 86 HA ILE 86 -11.169 -3.368 9.004 692 HB ILE 86 HB ILE 86 -11.907 -3.780 6.098 693 HG12 ILE 86 1HG1 ILE 86 -11.399 -1.230 7.651 694 HG13 ILE 86 2HG1 ILE 86 -10.273 -1.956 6.508 695 HG21 ILE 86 1HG2 ILE 86 -13.469 -2.497 8.338 696 HG22 ILE 86 2HG2 ILE 86 -13.849 -4.025 7.544 697 HG23 ILE 86 3HG2 ILE 86 -13.940 -2.512 6.638 698 HD11 ILE 86 3HD1 ILE 86 -11.887 -1.622 4.708 699 HD12 ILE 86 1HD1 ILE 86 -11.473 -0.104 5.503 700 HD13 ILE 86 2HD1 ILE 86 -13.011 -0.892 5.855 701 H VAL 87 H VAL 87 -10.758 -6.156 6.912 702 HA VAL 87 HA VAL 87 -13.020 -7.611 7.809 703 HB VAL 87 HB VAL 87 -10.435 -8.647 6.631 704 HG11 VAL 87 1HG1 VAL 87 -13.128 -9.986 6.875 705 HG12 VAL 87 2HG1 VAL 87 -11.680 -10.400 7.791 706 HG13 VAL 87 3HG1 VAL 87 -11.717 -10.643 6.044 707 HG21 VAL 87 3HG2 VAL 87 -11.660 -8.691 4.515 708 HG22 VAL 87 1HG2 VAL 87 -11.566 -7.055 5.171 709 HG23 VAL 87 2HG2 VAL 87 -13.063 -7.977 5.312 710 H THR 88 H THR 88 -9.602 -7.621 8.807 711 HA THR 88 HA THR 88 -10.083 -9.593 10.846 712 HB THR 88 HB THR 88 -7.892 -9.471 9.751 713 HG1 THR 88 HG1 THR 88 -8.053 -9.040 12.554 714 HG21 THR 88 3HG2 THR 88 -6.330 -7.663 10.297 715 HG22 THR 88 1HG2 THR 88 -7.613 -6.819 11.163 716 HG23 THR 88 2HG2 THR 88 -7.739 -7.064 9.420 717 H GLY 89 H GLY 89 -10.550 -6.248 10.631 718 HA2 GLY 89 1HA GLY 89 -11.767 -5.039 12.221 719 HA3 GLY 89 2HA GLY 89 -11.365 -6.252 13.423 720 H ARG 90 H ARG 90 -8.744 -4.985 11.576 721 HA ARG 90 HA ARG 90 -7.735 -3.666 13.971 722 HB2 ARG 90 1HB ARG 90 -6.439 -4.199 11.293 723 HB3 ARG 90 2HB ARG 90 -5.639 -3.406 12.643 724 HG2 ARG 90 1HG ARG 90 -5.865 -5.409 13.990 725 HG3 ARG 90 2HG ARG 90 -6.739 -6.209 12.680 726 HD2 ARG 90 1HD ARG 90 -4.736 -5.910 11.243 727 HD3 ARG 90 2HD ARG 90 -3.879 -5.261 12.639 728 HE ARG 90 HE ARG 90 -4.451 -7.528 13.684 729 HH11 ARG 90 1HH1 ARG 90 -3.817 -7.025 10.276 730 HH12 ARG 90 2HH1 ARG 90 -3.241 -8.645 10.009 731 HH21 ARG 90 1HH2 ARG 90 -3.664 -9.660 13.325 732 HH22 ARG 90 2HH2 ARG 90 -3.101 -10.109 11.740 733 H ALA 91 H ALA 91 -9.291 -2.895 11.045 734 HA ALA 91 HA ALA 91 -9.029 -0.043 11.668 735 HB1 ALA 91 3HB ALA 91 -8.792 -1.198 8.886 736 HB2 ALA 91 1HB ALA 91 -7.473 -0.497 9.826 737 HB3 ALA 91 2HB ALA 91 -8.817 0.518 9.297 738 H LYS 92 H LYS 92 -10.821 1.239 10.785 739 HA LYS 92 HA LYS 92 -13.248 -0.413 10.550 740 HB2 LYS 92 1HB LYS 92 -13.160 1.158 12.471 741 HB3 LYS 92 2HB LYS 92 -13.015 2.499 11.341 742 HG2 LYS 92 1HG LYS 92 -15.208 1.951 10.410 743 HG3 LYS 92 2HG LYS 92 -15.354 0.612 11.552 744 HD2 LYS 92 1HD LYS 92 -15.164 2.233 13.409 745 HD3 LYS 92 2HD LYS 92 -15.137 3.543 12.226 746 HE2 LYS 92 1HE LYS 92 -17.349 2.876 11.434 747 HE3 LYS 92 2HE LYS 92 -17.377 1.555 12.601 748 HZ1 LYS 92 3HZ LYS 92 -17.383 4.464 13.170 749 HZ2 LYS 92 1HZ LYS 92 -17.150 3.280 14.363 750 HZ3 LYS 92 2HZ LYS 92 -18.612 3.346 13.504 751 H TYR 93 H TYR 93 -11.751 2.549 9.301 752 HA TYR 93 HA TYR 93 -13.199 2.108 6.780 753 HB2 TYR 93 1HB TYR 93 -14.265 4.066 7.008 754 HB3 TYR 93 2HB TYR 93 -13.503 4.304 8.572 755 HD1 TYR 93 HD2 TYR 93 -13.386 5.153 5.001 756 HD2 TYR 93 HD1 TYR 93 -11.599 5.791 8.813 757 HE1 TYR 93 HE2 TYR 93 -12.185 7.103 4.107 758 HE2 TYR 93 HE1 TYR 93 -10.398 7.744 7.927 759 HH TYR 93 HH TYR 93 -11.028 9.002 4.706 760 H ASN 94 H ASN 94 -12.063 2.518 4.910 761 HA ASN 94 HA ASN 94 -9.175 2.847 5.271 762 HB2 ASN 94 1HB ASN 94 -8.991 1.870 2.986 763 HB3 ASN 94 2HB ASN 94 -9.761 0.788 4.138 764 HD21 ASN 94 2HD2 ASN 94 -9.874 0.944 1.191 765 HD22 ASN 94 1HD2 ASN 94 -11.555 1.048 0.795 766 HA PRO 95 HA PRO 95 -9.695 6.941 3.583 767 HB2 PRO 95 1HB PRO 95 -7.067 7.591 3.459 768 HB3 PRO 95 2HB PRO 95 -7.969 7.547 4.978 769 HG2 PRO 95 1HG PRO 95 -6.134 5.494 3.804 770 HG3 PRO 95 2HG PRO 95 -6.248 6.065 5.478 771 HD2 PRO 95 1HD PRO 95 -7.362 3.740 4.646 772 HD3 PRO 95 2HD PRO 95 -8.062 4.728 5.945 773 H ALA 96 H ALA 96 -9.728 4.674 1.742 774 HA ALA 96 HA ALA 96 -7.907 5.143 -0.396 775 HB1 ALA 96 3HB ALA 96 -8.919 2.954 -0.043 776 HB2 ALA 96 1HB ALA 96 -9.275 3.565 -1.659 777 HB3 ALA 96 2HB ALA 96 -10.512 3.623 -0.401 778 HA PRO 97 HA PRO 97 -11.740 7.472 -2.406 779 HB2 PRO 97 1HB PRO 97 -13.323 8.668 -0.476 780 HB3 PRO 97 2HB PRO 97 -13.750 7.201 -1.361 781 HG2 PRO 97 1HG PRO 97 -12.579 7.494 1.373 782 HG3 PRO 97 2HG PRO 97 -13.826 6.369 0.799 783 HD2 PRO 97 1HD PRO 97 -11.300 5.573 1.177 784 HD3 PRO 97 2HD PRO 97 -12.273 4.946 -0.170 785 H ASP 98 H ASP 98 -10.564 8.436 0.790 786 HA ASP 98 HA ASP 98 -10.259 11.186 0.220 787 HB2 ASP 98 1HB ASP 98 -8.990 9.388 2.287 788 HB3 ASP 98 2HB ASP 98 -8.649 11.113 2.195 789 H LEU 99 H LEU 99 -8.112 8.409 -0.063 790 HA LEU 99 HA LEU 99 -5.768 9.719 -0.822 791 HB2 LEU 99 1HB LEU 99 -5.839 7.357 -0.246 792 HB3 LEU 99 2HB LEU 99 -6.861 7.015 -1.620 793 HG LEU 99 HG LEU 99 -4.387 6.355 -1.743 794 HD11 LEU 99 1HD1 LEU 99 -5.851 6.272 -3.669 795 HD12 LEU 99 2HD1 LEU 99 -4.255 6.864 -4.131 796 HD13 LEU 99 3HD1 LEU 99 -5.599 7.992 -3.958 797 HD21 LEU 99 3HD2 LEU 99 -4.133 9.309 -2.266 798 HD22 LEU 99 1HD2 LEU 99 -2.884 8.102 -2.583 799 HD23 LEU 99 2HD2 LEU 99 -3.416 8.409 -0.928 800 H ALA 100 H ALA 100 -8.418 8.456 -2.823 801 HA ALA 100 HA ALA 100 -7.355 9.246 -5.303 802 HB1 ALA 100 3HB ALA 100 -9.165 7.610 -5.078 803 HB2 ALA 100 1HB ALA 100 -9.603 8.915 -6.180 804 HB3 ALA 100 2HB ALA 100 -10.252 8.892 -4.542 805 H ASP 101 H ASP 101 -9.585 10.872 -3.083 806 HA ASP 101 HA ASP 101 -10.071 13.118 -4.722 807 HB2 ASP 101 1HB ASP 101 -11.480 12.427 -2.787 808 HB3 ASP 101 2HB ASP 101 -10.200 12.974 -1.708 809 H ALA 102 H ALA 102 -7.698 12.491 -2.192 810 HA ALA 102 HA ALA 102 -6.538 15.067 -2.153 811 HB1 ALA 102 3HB ALA 102 -6.168 13.440 -0.365 812 HB2 ALA 102 1HB ALA 102 -4.640 14.004 -1.041 813 HB3 ALA 102 2HB ALA 102 -5.264 12.415 -1.479 814 H MET 103 H MET 103 -5.765 12.123 -3.967 815 HA MET 103 HA MET 103 -3.495 12.934 -5.321 816 HB2 MET 103 1HB MET 103 -4.500 10.662 -5.411 817 HB3 MET 103 2HB MET 103 -5.773 11.289 -6.448 818 HG2 MET 103 1HG MET 103 -4.055 11.897 -8.118 819 HG3 MET 103 2HG MET 103 -2.836 11.150 -7.086 820 HE1 MET 103 3HE MET 103 -2.923 8.575 -6.378 821 HE2 MET 103 1HE MET 103 -4.066 7.409 -7.046 822 HE3 MET 103 2HE MET 103 -4.630 8.668 -5.948 823 H LYS 104 H LYS 104 -6.866 13.637 -6.010 824 HA LYS 104 HA LYS 104 -6.386 14.959 -8.485 825 HB2 LYS 104 1HB LYS 104 -8.754 15.204 -6.626 826 HB3 LYS 104 2HB LYS 104 -8.712 15.670 -8.322 827 HG2 LYS 104 1HG LYS 104 -8.524 13.413 -9.025 828 HG3 LYS 104 2HG LYS 104 -8.228 12.859 -7.378 829 HD2 LYS 104 1HD LYS 104 -10.530 13.678 -6.797 830 HD3 LYS 104 2HD LYS 104 -10.793 13.951 -8.521 831 HE2 LYS 104 1HE LYS 104 -10.396 11.601 -8.978 832 HE3 LYS 104 2HE LYS 104 -10.040 11.308 -7.277 833 HZ1 LYS 104 3HZ LYS 104 -12.344 12.055 -6.789 834 HZ2 LYS 104 1HZ LYS 104 -12.259 10.624 -7.697 835 HZ3 LYS 104 2HZ LYS 104 -12.648 12.091 -8.457 836 H GLY 105 H GLY 105 -7.221 16.176 -5.259 837 HA2 GLY 105 1HA GLY 105 -7.097 18.906 -6.007 838 HA3 GLY 105 2HA GLY 105 -7.137 18.290 -4.365 839 H TYR 106 H TYR 106 -4.695 16.734 -4.634 840 HA TYR 106 HA TYR 106 -2.895 18.718 -3.745 841 HB2 TYR 106 1HB TYR 106 -2.919 16.276 -3.089 842 HB3 TYR 106 2HB TYR 106 -2.172 15.926 -4.643 843 HD1 TYR 106 HD2 TYR 106 -1.684 17.506 -1.363 844 HD2 TYR 106 HD1 TYR 106 0.155 16.390 -5.032 845 HE1 TYR 106 HE2 TYR 106 0.527 17.920 -0.373 846 HE2 TYR 106 HE1 TYR 106 2.372 16.799 -4.050 847 HH TYR 106 HH TYR 106 3.335 18.170 -2.207 848 H ARG 107 H ARG 107 -3.479 17.330 -6.881 849 HA ARG 107 HA ARG 107 -0.987 18.131 -8.021 850 HB2 ARG 107 1HB ARG 107 -3.586 17.163 -9.171 851 HB3 ARG 107 2HB ARG 107 -2.309 17.770 -10.218 852 HG2 ARG 107 1HG ARG 107 -0.777 16.095 -9.370 853 HG3 ARG 107 2HG ARG 107 -2.006 15.515 -8.247 854 HD2 ARG 107 1HD ARG 107 -2.400 15.550 -11.225 855 HD3 ARG 107 2HD ARG 107 -1.699 14.177 -10.371 856 HE ARG 107 HE ARG 107 -3.972 14.534 -9.018 857 HH11 ARG 107 1HH1 ARG 107 -3.372 14.487 -12.463 858 HH12 ARG 107 2HH1 ARG 107 -4.891 13.726 -12.850 859 HH21 ARG 107 1HH2 ARG 107 -5.974 13.534 -9.525 860 HH22 ARG 107 2HH2 ARG 107 -6.365 13.181 -11.178 861 H LYS 108 H LYS 108 -3.940 19.751 -7.343 862 HA LYS 108 HA LYS 108 -3.471 21.926 -9.177 863 HB2 LYS 108 1HB LYS 108 -5.400 21.521 -6.896 864 HB3 LYS 108 2HB LYS 108 -5.275 23.052 -7.750 865 HG2 LYS 108 1HG LYS 108 -5.896 20.425 -9.081 866 HG3 LYS 108 2HG LYS 108 -7.115 21.582 -8.542 867 HD2 LYS 108 1HD LYS 108 -6.197 23.272 -10.032 868 HD3 LYS 108 2HD LYS 108 -4.924 22.160 -10.537 869 HE2 LYS 108 1HE LYS 108 -7.881 21.720 -10.938 870 HE3 LYS 108 2HE LYS 108 -6.768 22.312 -12.170 871 HZ1 LYS 108 3HZ LYS 108 -5.496 20.206 -11.846 872 HZ2 LYS 108 1HZ LYS 108 -7.043 19.998 -12.509 873 HZ3 LYS 108 2HZ LYS 108 -6.769 19.642 -10.876 874 H LYS 109 H LYS 109 -3.136 21.374 -5.695 875 HA LYS 109 HA LYS 109 -1.025 23.374 -5.608 876 HB2 LYS 109 1HB LYS 109 -2.973 24.699 -5.025 877 HB3 LYS 109 2HB LYS 109 -3.482 23.498 -3.846 878 HG2 LYS 109 1HG LYS 109 -1.395 23.943 -2.576 879 HG3 LYS 109 2HG LYS 109 -1.035 25.244 -3.710 880 HD2 LYS 109 1HD LYS 109 -3.043 26.421 -3.054 881 HD3 LYS 109 2HD LYS 109 -3.518 25.083 -2.004 882 HE2 LYS 109 1HE LYS 109 -1.037 26.772 -1.691 883 HE3 LYS 109 2HE LYS 109 -2.511 26.927 -0.735 884 HZ1 LYS 109 3HZ LYS 109 -0.912 24.428 -0.861 885 HZ2 LYS 109 1HZ LYS 109 -2.169 24.796 0.213 886 HZ3 LYS 109 2HZ LYS 109 -0.687 25.607 0.330 887 H ASN 110 H ASN 110 0.598 22.761 -4.333 888 HA ASN 110 HA ASN 110 0.535 20.295 -2.909 889 HB2 ASN 110 1HB ASN 110 2.523 22.539 -3.134 890 HB3 ASN 110 2HB ASN 110 2.755 21.276 -1.932 891 HD21 ASN 110 2HD2 ASN 110 2.579 21.982 -5.346 892 HD22 ASN 110 1HD2 ASN 110 3.352 20.532 -5.883 893 H LEU 111 H LEU 111 0.184 19.894 -0.792 894 HA LEU 111 HA LEU 111 -0.835 22.118 0.806 895 HB2 LEU 111 1HB LEU 111 -1.089 19.131 1.162 896 HB3 LEU 111 2HB LEU 111 -1.774 20.325 2.251 897 HG LEU 111 HG LEU 111 -2.485 20.139 -0.669 898 HD11 LEU 111 1HD1 LEU 111 -3.146 18.091 0.472 899 HD12 LEU 111 2HD1 LEU 111 -4.552 19.069 0.056 900 HD13 LEU 111 3HD1 LEU 111 -3.957 19.039 1.716 901 HD21 LEU 111 3HD2 LEU 111 -4.392 21.522 -0.008 902 HD22 LEU 111 1HD2 LEU 111 -2.858 22.325 0.329 903 HD23 LEU 111 2HD2 LEU 111 -3.771 21.581 1.642 904 H GLU 112 H GLU 112 0.572 23.062 2.055 905 HA GLU 112 HA GLU 112 3.105 22.021 2.665 906 HB2 GLU 112 1HB GLU 112 1.670 24.273 4.080 907 HB3 GLU 112 2HB GLU 112 3.401 23.966 4.100 908 HG2 GLU 112 1HG GLU 112 3.373 25.564 2.512 909 HG3 GLU 112 2HG GLU 112 3.058 24.178 1.470 910 H HIS 113 H HIS 113 3.196 20.163 3.755 911 HA HIS 113 HA HIS 113 2.124 20.169 6.499 912 HB2 HIS 113 1HB HIS 113 2.916 17.907 4.660 913 HB3 HIS 113 2HB HIS 113 2.756 17.675 6.396 914 HD1 HIS 113 HD1 HIS 113 0.880 15.921 5.586 915 HD2 HIS 113 HD2 HIS 113 0.002 19.956 5.073 916 HE1 HIS 113 HE1 HIS 113 -1.610 16.038 5.255 917 HE2 HIS 113 HE2 HIS 113 -2.140 18.501 5.181 918 H HIS 114 H HIS 114 3.674 21.235 7.615 919 HA HIS 114 HA HIS 114 6.453 21.020 6.978 920 HB2 HIS 114 1HB HIS 114 5.209 23.002 8.084 921 HB3 HIS 114 2HB HIS 114 5.374 22.092 9.581 922 HD1 HIS 114 HD1 HIS 114 6.983 24.665 7.770 923 HD2 HIS 114 HD2 HIS 114 8.329 21.381 9.945 924 HE1 HIS 114 HE1 HIS 114 9.382 25.168 8.353 925 HE2 HIS 114 HE2 HIS 114 10.196 23.147 9.622 926 H HIS 115 H HIS 115 4.287 19.573 9.326 927 HA HIS 115 HA HIS 115 6.488 18.003 10.445 928 HB2 HIS 115 1HB HIS 115 3.620 18.413 11.246 929 HB3 HIS 115 2HB HIS 115 4.535 17.044 11.867 930 HD1 HIS 115 HD1 HIS 115 5.836 17.462 13.930 931 HD2 HIS 115 HD2 HIS 115 4.926 20.986 11.916 932 HE1 HIS 115 HE1 HIS 115 6.635 19.327 15.423 933 HE2 HIS 115 HE2 HIS 115 5.892 21.446 14.274 934 H HIS 116 H HIS 116 7.056 16.368 9.178 935 HA HIS 116 HA HIS 116 5.031 14.895 7.679 936 HB2 HIS 116 1HB HIS 116 8.044 14.586 7.753 937 HB3 HIS 116 2HB HIS 116 6.959 13.730 6.663 938 HD1 HIS 116 HD1 HIS 116 8.319 17.184 7.354 939 HD2 HIS 116 HD2 HIS 116 6.231 15.129 4.397 940 HE1 HIS 116 HE1 HIS 116 8.258 18.728 5.367 941 HE2 HIS 116 HE2 HIS 116 6.902 17.511 3.624 942 H HIS 117 H HIS 117 4.218 12.988 8.330 943 HA HIS 117 HA HIS 117 4.997 11.963 10.909 944 HB2 HIS 117 1HB HIS 117 2.782 11.454 9.002 945 HB3 HIS 117 2HB HIS 117 3.225 10.125 10.067 946 HD1 HIS 117 HD1 HIS 117 0.706 12.420 10.000 947 HD2 HIS 117 HD2 HIS 117 3.612 11.619 12.864 948 HE1 HIS 117 HE1 HIS 117 -0.238 13.250 12.174 949 HE2 HIS 117 HE2 HIS 117 1.463 12.595 13.915 950 H HIS 118 H HIS 118 6.353 10.377 11.327 951 HA HIS 118 HA HIS 118 6.821 8.292 9.337 952 HB2 HIS 118 1HB HIS 118 9.008 9.999 10.536 953 HB3 HIS 118 2HB HIS 118 9.313 8.422 9.817 954 HD1 HIS 118 HD1 HIS 118 8.481 8.255 7.198 955 HD2 HIS 118 HD2 HIS 118 9.144 12.048 8.775 956 HE1 HIS 118 HE1 HIS 118 8.751 9.777 5.213 957 HE2 HIS 118 HE2 HIS 118 9.149 12.072 6.183
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