NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
461027 | 2dl5 | 11222 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 15.674 -2.489 0.276 2 HA2 GLY 1 1HA GLY 1 16.742 -3.200 -1.752 3 HA3 GLY 1 2HA GLY 1 15.273 -2.788 -2.624 4 H SER 2 H SER 2 18.329 -1.712 -1.565 5 HA SER 2 HA SER 2 17.817 1.101 -1.908 6 HB2 SER 2 1HB SER 2 20.308 -0.528 -1.438 7 HB3 SER 2 2HB SER 2 20.385 1.201 -1.777 8 HG SER 2 HG SER 2 18.695 1.222 0.041 9 H SER 3 H SER 3 17.484 1.938 -3.852 10 HA SER 3 HA SER 3 17.442 2.074 -6.158 11 HB2 SER 3 1HB SER 3 19.644 2.749 -7.037 12 HB3 SER 3 2HB SER 3 19.311 3.512 -5.483 13 HG SER 3 HG SER 3 21.459 2.328 -5.986 14 H GLY 4 H GLY 4 17.207 -0.617 -5.387 15 HA2 GLY 4 1HA GLY 4 18.948 -2.037 -7.292 16 HA3 GLY 4 2HA GLY 4 18.063 -2.787 -5.972 17 H SER 5 H SER 5 15.564 -2.283 -6.186 18 HA SER 5 HA SER 5 14.812 -2.840 -8.981 19 HB2 SER 5 1HB SER 5 14.663 -4.816 -7.403 20 HB3 SER 5 2HB SER 5 13.392 -3.939 -6.550 21 HG SER 5 HG SER 5 12.598 -5.401 -8.164 22 H SER 6 H SER 6 12.538 -2.311 -9.498 23 HA SER 6 HA SER 6 11.501 -0.082 -7.880 24 HB2 SER 6 1HB SER 6 11.810 -0.158 -10.890 25 HB3 SER 6 2HB SER 6 10.882 1.065 -10.022 26 HG SER 6 HG SER 6 13.069 1.193 -8.798 27 H GLY 7 H GLY 7 10.806 -2.496 -10.383 28 HA2 GLY 7 1HA GLY 7 8.653 -3.723 -9.395 29 HA3 GLY 7 2HA GLY 7 7.941 -2.217 -9.955 30 H THR 8 H THR 8 8.403 -5.331 -10.780 31 HA THR 8 HA THR 8 8.562 -4.738 -13.663 32 HB THR 8 HB THR 8 9.059 -7.264 -13.826 33 HG1 THR 8 1HG THR 8 9.902 -8.183 -11.951 34 HG21 THR 8 1HG2 THR 8 11.332 -6.835 -13.849 35 HG22 THR 8 2HG2 THR 8 11.256 -5.794 -12.427 36 HG23 THR 8 3HG2 THR 8 10.666 -5.208 -13.982 37 H LEU 9 H LEU 9 6.370 -5.325 -11.323 38 HA LEU 9 HA LEU 9 4.515 -6.584 -13.224 39 HB2 LEU 9 1HB LEU 9 3.460 -7.736 -11.262 40 HB3 LEU 9 2HB LEU 9 5.046 -8.339 -11.738 41 HG LEU 9 HG LEU 9 4.790 -6.352 -9.512 42 HD11 LEU 9 1HD1 LEU 9 3.850 -7.788 -8.107 43 HD12 LEU 9 2HD1 LEU 9 4.981 -9.060 -8.563 44 HD13 LEU 9 3HD1 LEU 9 3.498 -8.827 -9.488 45 HD21 LEU 9 1HD2 LEU 9 6.944 -7.423 -10.756 46 HD22 LEU 9 2HD2 LEU 9 6.715 -8.571 -9.437 47 HD23 LEU 9 3HD2 LEU 9 6.939 -6.857 -9.085 48 H ARG 10 H ARG 10 2.182 -6.311 -12.431 49 HA ARG 10 HA ARG 10 0.517 -4.735 -12.280 50 HB2 ARG 10 1HB ARG 10 1.954 -4.792 -9.665 51 HB3 ARG 10 2HB ARG 10 0.690 -3.592 -9.897 52 HG2 ARG 10 1HG ARG 10 -0.673 -5.697 -10.718 53 HG3 ARG 10 2HG ARG 10 0.493 -6.546 -9.702 54 HD2 ARG 10 1HD ARG 10 -0.112 -5.087 -7.819 55 HD3 ARG 10 2HD ARG 10 -1.300 -4.279 -8.841 56 HE ARG 10 HE ARG 10 -1.611 -6.775 -7.503 57 HH11 ARG 10 2HH1 ARG 10 -2.522 -4.997 -10.354 58 HH12 ARG 10 1HH1 ARG 10 -4.003 -5.867 -10.582 59 HH21 ARG 10 2HH2 ARG 10 -3.558 -7.927 -7.793 60 HH22 ARG 10 1HH2 ARG 10 -4.592 -7.533 -9.124 61 H ASN 11 H ASN 11 2.747 -3.743 -13.718 62 HA ASN 11 HA ASN 11 3.853 -1.816 -14.316 63 HB2 ASN 11 1HB ASN 11 1.024 -0.886 -13.800 64 HB3 ASN 11 2HB ASN 11 2.238 0.102 -14.609 65 HD21 ASN 11 1HD2 ASN 11 3.042 -0.581 -16.635 66 HD22 ASN 11 2HD2 ASN 11 2.128 -1.652 -17.637 67 H TYR 12 H TYR 12 4.375 -2.387 -11.640 68 HA TYR 12 HA TYR 12 3.892 -0.192 -9.916 69 HB2 TYR 12 1HB TYR 12 5.783 -2.520 -9.877 70 HB3 TYR 12 2HB TYR 12 5.953 -1.229 -8.693 71 HD1 TYR 12 2HD TYR 12 3.354 -0.528 -7.844 72 HD2 TYR 12 1HD TYR 12 4.786 -4.378 -8.954 73 HE1 TYR 12 2HE TYR 12 1.615 -1.570 -6.452 74 HE2 TYR 12 1HE TYR 12 3.050 -5.431 -7.566 75 HH TYR 12 HH TYR 12 1.596 -4.960 -5.764 76 HA PRO 13 HA PRO 13 5.279 0.533 -8.057 77 HB2 PRO 13 1HB PRO 13 5.275 3.163 -7.385 78 HB3 PRO 13 2HB PRO 13 6.708 2.139 -7.245 79 HG2 PRO 13 1HG PRO 13 5.968 4.076 -9.404 80 HG3 PRO 13 2HG PRO 13 7.541 3.814 -8.627 81 HD2 PRO 13 1HD PRO 13 6.927 2.789 -11.057 82 HD3 PRO 13 2HD PRO 13 8.011 1.963 -9.919 83 H LEU 14 H LEU 14 3.334 1.478 -7.001 84 HA LEU 14 HA LEU 14 1.444 2.702 -8.876 85 HB2 LEU 14 1HB LEU 14 1.183 0.078 -7.496 86 HB3 LEU 14 2HB LEU 14 -0.261 1.067 -7.700 87 HG LEU 14 HG LEU 14 1.509 0.149 -9.963 88 HD11 LEU 14 1HD1 LEU 14 0.486 -1.781 -8.963 89 HD12 LEU 14 2HD1 LEU 14 -0.351 -1.407 -10.469 90 HD13 LEU 14 3HD1 LEU 14 -1.085 -0.980 -8.923 91 HD21 LEU 14 1HD2 LEU 14 -1.249 0.871 -10.531 92 HD22 LEU 14 2HD2 LEU 14 0.242 1.382 -11.323 93 HD23 LEU 14 3HD2 LEU 14 -0.315 2.214 -9.870 94 H THR 15 H THR 15 0.839 4.535 -7.944 95 HA THR 15 HA THR 15 0.976 4.949 -5.114 96 HB THR 15 HB THR 15 -0.363 6.750 -7.135 97 HG1 THR 15 1HG THR 15 1.590 7.498 -7.674 98 HG21 THR 15 1HG2 THR 15 -0.113 8.465 -5.571 99 HG22 THR 15 2HG2 THR 15 1.101 7.578 -4.650 100 HG23 THR 15 3HG2 THR 15 -0.590 7.085 -4.584 101 H CYS 16 H CYS 16 -0.564 4.676 -3.632 102 HA CYS 16 HA CYS 16 -3.347 4.364 -4.545 103 HB2 CYS 16 1HB CYS 16 -3.628 2.690 -2.699 104 HB3 CYS 16 2HB CYS 16 -2.560 2.163 -3.994 105 HG CYS 16 HG CYS 16 -0.215 2.540 -2.590 106 H LYS 17 H LYS 17 -4.976 4.884 -2.951 107 HA LYS 17 HA LYS 17 -4.023 6.882 -1.007 108 HB2 LYS 17 1HB LYS 17 -5.322 7.967 -2.697 109 HB3 LYS 17 2HB LYS 17 -6.582 6.744 -2.600 110 HG2 LYS 17 1HG LYS 17 -7.552 8.441 -1.423 111 HG3 LYS 17 2HG LYS 17 -6.752 7.565 -0.116 112 HD2 LYS 17 1HD LYS 17 -6.072 9.701 0.355 113 HD3 LYS 17 2HD LYS 17 -4.758 9.186 -0.705 114 HE2 LYS 17 1HE LYS 17 -7.176 10.494 -1.873 115 HE3 LYS 17 2HE LYS 17 -5.946 11.484 -1.089 116 HZ1 LYS 17 1HZ LYS 17 -4.916 11.438 -3.044 117 HZ2 LYS 17 2HZ LYS 17 -5.882 10.183 -3.639 118 HZ3 LYS 17 3HZ LYS 17 -4.516 9.829 -2.706 119 H VAL 18 H VAL 18 -4.114 6.164 1.010 120 HA VAL 18 HA VAL 18 -5.557 3.898 1.847 121 HB VAL 18 HB VAL 18 -4.447 6.145 3.536 122 HG11 VAL 18 1HG1 VAL 18 -4.383 4.330 5.294 123 HG12 VAL 18 2HG1 VAL 18 -5.984 4.943 4.874 124 HG13 VAL 18 3HG1 VAL 18 -5.437 3.392 4.236 125 HG21 VAL 18 1HG2 VAL 18 -2.419 5.073 3.575 126 HG22 VAL 18 2HG2 VAL 18 -3.120 3.497 3.206 127 HG23 VAL 18 3HG2 VAL 18 -2.945 4.704 1.932 128 H VAL 19 H VAL 19 -7.725 3.893 1.613 129 HA VAL 19 HA VAL 19 -9.300 6.215 2.379 130 HB VAL 19 HB VAL 19 -11.232 4.627 1.712 131 HG11 VAL 19 1HG1 VAL 19 -9.434 5.210 -0.594 132 HG12 VAL 19 2HG1 VAL 19 -11.169 5.478 -0.422 133 HG13 VAL 19 3HG1 VAL 19 -10.026 6.545 0.394 134 HG21 VAL 19 1HG2 VAL 19 -9.465 2.678 1.764 135 HG22 VAL 19 2HG2 VAL 19 -10.786 2.675 0.596 136 HG23 VAL 19 3HG2 VAL 19 -9.175 3.196 0.103 137 H TYR 20 H TYR 20 -8.327 3.174 3.677 138 HA TYR 20 HA TYR 20 -10.122 3.601 5.974 139 HB2 TYR 20 1HB TYR 20 -9.342 1.020 4.626 140 HB3 TYR 20 2HB TYR 20 -9.988 1.066 6.263 141 HD1 TYR 20 1HD TYR 20 -12.316 1.678 6.666 142 HD2 TYR 20 2HD TYR 20 -10.753 1.474 2.714 143 HE1 TYR 20 1HE TYR 20 -14.605 1.683 5.767 144 HE2 TYR 20 2HE TYR 20 -13.038 1.479 1.804 145 HH TYR 20 HH TYR 20 -15.215 1.355 2.292 146 H SER 21 H SER 21 -9.033 4.085 7.749 147 HA SER 21 HA SER 21 -6.229 3.940 7.960 148 HB2 SER 21 1HB SER 21 -6.484 4.822 10.135 149 HB3 SER 21 2HB SER 21 -7.860 5.463 9.238 150 HG SER 21 HG SER 21 -8.280 4.498 11.386 151 H TYR 22 H TYR 22 -4.895 2.615 9.220 152 HA TYR 22 HA TYR 22 -6.023 0.245 10.461 153 HB2 TYR 22 1HB TYR 22 -5.768 -0.465 8.139 154 HB3 TYR 22 2HB TYR 22 -4.089 0.063 8.141 155 HD1 TYR 22 2HD TYR 22 -6.437 -2.379 9.652 156 HD2 TYR 22 1HD TYR 22 -2.374 -1.365 8.896 157 HE1 TYR 22 2HE TYR 22 -5.743 -4.609 10.423 158 HE2 TYR 22 1HE TYR 22 -1.669 -3.593 9.664 159 HH TYR 22 HH TYR 22 -2.378 -5.436 10.864 160 H LYS 23 H LYS 23 -5.085 0.244 12.386 161 HA LYS 23 HA LYS 23 -2.490 1.427 12.811 162 HB2 LYS 23 1HB LYS 23 -4.145 1.775 14.513 163 HB3 LYS 23 2HB LYS 23 -4.441 0.047 14.657 164 HG2 LYS 23 1HG LYS 23 -3.123 0.359 16.479 165 HG3 LYS 23 2HG LYS 23 -1.876 0.015 15.278 166 HD2 LYS 23 1HD LYS 23 -1.105 1.917 16.420 167 HD3 LYS 23 2HD LYS 23 -1.774 2.538 14.910 168 HE2 LYS 23 1HE LYS 23 -3.636 3.436 15.955 169 HE3 LYS 23 2HE LYS 23 -3.495 2.366 17.349 170 HZ1 LYS 23 1HZ LYS 23 -1.179 3.839 17.336 171 HZ2 LYS 23 2HZ LYS 23 -2.499 4.046 18.373 172 HZ3 LYS 23 3HZ LYS 23 -2.389 4.957 16.952 173 H ALA 24 H ALA 24 -0.694 0.351 12.344 174 HA ALA 24 HA ALA 24 -0.534 -2.426 11.936 175 HB1 ALA 24 1HB ALA 24 1.910 -2.076 11.902 176 HB2 ALA 24 2HB ALA 24 1.037 -0.921 10.893 177 HB3 ALA 24 3HB ALA 24 1.656 -0.424 12.468 178 H SER 25 H SER 25 -0.439 -4.047 13.337 179 HA SER 25 HA SER 25 0.177 -3.450 16.143 180 HB2 SER 25 1HB SER 25 -1.329 -5.704 14.817 181 HB3 SER 25 2HB SER 25 -0.832 -5.774 16.508 182 HG SER 25 HG SER 25 -2.938 -4.947 16.314 183 H GLN 26 H GLN 26 1.437 -4.979 13.369 184 HA GLN 26 HA GLN 26 3.389 -6.469 14.992 185 HB2 GLN 26 1HB GLN 26 2.228 -6.926 12.276 186 HB3 GLN 26 2HB GLN 26 3.850 -7.515 12.616 187 HG2 GLN 26 1HG GLN 26 2.942 -8.754 14.558 188 HG3 GLN 26 2HG GLN 26 1.324 -8.242 14.079 189 HE21 GLN 26 1HE2 GLN 26 2.630 -10.913 14.268 190 HE22 GLN 26 2HE2 GLN 26 2.378 -11.642 12.722 191 HA PRO 27 HA PRO 27 6.620 -3.770 13.743 192 HB2 PRO 27 1HB PRO 27 8.729 -5.480 13.762 193 HB3 PRO 27 2HB PRO 27 7.956 -4.891 15.238 194 HG2 PRO 27 1HG PRO 27 7.585 -7.499 13.816 195 HG3 PRO 27 2HG PRO 27 7.741 -7.185 15.554 196 HD2 PRO 27 1HD PRO 27 5.349 -7.618 14.361 197 HD3 PRO 27 2HD PRO 27 5.536 -6.547 15.765 198 H ASP 28 H ASP 28 5.684 -6.458 11.855 199 HA ASP 28 HA ASP 28 7.501 -5.776 9.668 200 HB2 ASP 28 1HB ASP 28 5.691 -8.100 10.239 201 HB3 ASP 28 2HB ASP 28 6.237 -7.793 8.593 202 H GLU 29 H GLU 29 4.498 -4.881 10.774 203 HA GLU 29 HA GLU 29 3.330 -4.490 8.129 204 HB2 GLU 29 1HB GLU 29 2.321 -4.390 10.926 205 HB3 GLU 29 2HB GLU 29 1.510 -3.381 9.736 206 HG2 GLU 29 1HG GLU 29 0.433 -5.567 10.034 207 HG3 GLU 29 2HG GLU 29 0.994 -5.300 8.384 208 H LEU 30 H LEU 30 2.105 -2.261 7.980 209 HA LEU 30 HA LEU 30 3.977 -0.132 8.779 210 HB2 LEU 30 1HB LEU 30 3.848 -0.949 6.273 211 HB3 LEU 30 2HB LEU 30 2.428 0.094 6.247 212 HG LEU 30 HG LEU 30 4.518 1.159 5.403 213 HD11 LEU 30 1HD1 LEU 30 2.489 2.230 6.847 214 HD12 LEU 30 2HD1 LEU 30 3.766 3.164 6.068 215 HD13 LEU 30 3HD1 LEU 30 3.889 2.758 7.780 216 HD21 LEU 30 1HD2 LEU 30 6.346 1.584 6.742 217 HD22 LEU 30 2HD2 LEU 30 5.879 -0.030 7.280 218 HD23 LEU 30 3HD2 LEU 30 5.432 1.383 8.237 219 H THR 31 H THR 31 3.046 1.341 10.018 220 HA THR 31 HA THR 31 0.275 1.401 10.550 221 HB THR 31 HB THR 31 2.281 3.589 11.125 222 HG1 THR 31 1HG THR 31 3.029 1.700 12.064 223 HG21 THR 31 1HG2 THR 31 0.250 4.546 11.634 224 HG22 THR 31 2HG2 THR 31 0.625 3.750 13.163 225 HG23 THR 31 3HG2 THR 31 -0.500 3.000 12.031 226 H ILE 32 H ILE 32 -1.218 2.037 9.140 227 HA ILE 32 HA ILE 32 -0.665 4.421 7.496 228 HB ILE 32 HB ILE 32 -2.131 3.561 5.790 229 HG12 ILE 32 1HG1 ILE 32 -2.493 1.086 7.486 230 HG13 ILE 32 2HG1 ILE 32 -3.673 2.389 7.400 231 HG21 ILE 32 1HG2 ILE 32 -0.901 1.380 5.260 232 HG22 ILE 32 2HG2 ILE 32 0.066 2.843 5.440 233 HG23 ILE 32 3HG2 ILE 32 -0.012 1.671 6.755 234 HD11 ILE 32 1HD1 ILE 32 -3.640 1.971 4.870 235 HD12 ILE 32 2HD1 ILE 32 -2.865 0.442 5.283 236 HD13 ILE 32 3HD1 ILE 32 -4.473 0.812 5.905 237 H GLU 33 H GLU 33 -2.515 5.770 6.986 238 HA GLU 33 HA GLU 33 -4.864 5.472 8.679 239 HB2 GLU 33 1HB GLU 33 -2.781 7.563 9.035 240 HB3 GLU 33 2HB GLU 33 -4.459 8.070 9.172 241 HG2 GLU 33 1HG GLU 33 -4.760 6.212 10.847 242 HG3 GLU 33 2HG GLU 33 -3.007 6.028 10.827 243 H GLU 34 H GLU 34 -6.669 6.617 7.953 244 HA GLU 34 HA GLU 34 -7.051 6.895 5.262 245 HB2 GLU 34 1HB GLU 34 -8.839 6.901 7.002 246 HB3 GLU 34 2HB GLU 34 -8.425 8.570 7.369 247 HG2 GLU 34 1HG GLU 34 -9.081 9.276 5.171 248 HG3 GLU 34 2HG GLU 34 -9.346 7.606 4.673 249 H HIS 35 H HIS 35 -7.106 8.619 3.793 250 HA HIS 35 HA HIS 35 -6.442 10.564 2.810 251 HB2 HIS 35 1HB HIS 35 -5.846 11.690 5.540 252 HB3 HIS 35 2HB HIS 35 -6.315 12.555 4.080 253 HD1 HIS 35 1HD HIS 35 -8.874 11.515 3.226 254 HD2 HIS 35 2HD HIS 35 -7.909 11.666 7.265 255 HE1 HIS 35 1HE HIS 35 -11.073 11.462 4.445 256 HE2 HIS 35 2HE HIS 35 -10.467 11.640 6.883 257 H GLU 36 H GLU 36 -4.596 8.401 3.436 258 HA GLU 36 HA GLU 36 -2.092 9.942 3.337 259 HB2 GLU 36 1HB GLU 36 -2.418 8.774 5.542 260 HB3 GLU 36 2HB GLU 36 -2.382 7.248 4.670 261 HG2 GLU 36 1HG GLU 36 -0.209 7.360 5.294 262 HG3 GLU 36 2HG GLU 36 -0.103 8.230 3.764 263 H VAL 37 H VAL 37 -1.837 9.827 1.145 264 HA VAL 37 HA VAL 37 -2.178 7.363 -0.300 265 HB VAL 37 HB VAL 37 -2.657 9.479 -1.408 266 HG11 VAL 37 1HG1 VAL 37 -0.534 10.498 -0.106 267 HG12 VAL 37 2HG1 VAL 37 0.180 10.232 -1.698 268 HG13 VAL 37 3HG1 VAL 37 -1.255 11.244 -1.532 269 HG21 VAL 37 1HG2 VAL 37 -0.760 9.104 -3.303 270 HG22 VAL 37 2HG2 VAL 37 -0.662 7.574 -2.431 271 HG23 VAL 37 3HG2 VAL 37 -2.196 8.096 -3.126 272 H LEU 38 H LEU 38 -0.715 5.815 -0.559 273 HA LEU 38 HA LEU 38 2.100 6.434 0.044 274 HB2 LEU 38 1HB LEU 38 0.892 3.687 0.045 275 HB3 LEU 38 2HB LEU 38 2.395 4.226 0.792 276 HG LEU 38 HG LEU 38 -0.181 5.354 1.782 277 HD11 LEU 38 1HD1 LEU 38 -0.506 3.494 3.284 278 HD12 LEU 38 2HD1 LEU 38 0.882 2.653 2.595 279 HD13 LEU 38 3HD1 LEU 38 -0.559 2.923 1.616 280 HD21 LEU 38 1HD2 LEU 38 1.472 6.323 2.983 281 HD22 LEU 38 2HD2 LEU 38 2.601 4.996 2.710 282 HD23 LEU 38 3HD2 LEU 38 1.336 4.842 3.930 283 H GLU 39 H GLU 39 3.476 4.461 -1.030 284 HA GLU 39 HA GLU 39 2.689 4.309 -3.860 285 HB2 GLU 39 1HB GLU 39 4.410 6.097 -3.439 286 HB3 GLU 39 2HB GLU 39 5.507 4.830 -2.909 287 HG2 GLU 39 1HG GLU 39 5.494 3.825 -5.083 288 HG3 GLU 39 2HG GLU 39 4.243 4.936 -5.636 289 H VAL 40 H VAL 40 2.242 2.198 -4.073 290 HA VAL 40 HA VAL 40 3.625 0.141 -2.659 291 HB VAL 40 HB VAL 40 1.828 -0.129 -5.072 292 HG11 VAL 40 1HG1 VAL 40 1.445 -2.416 -4.094 293 HG12 VAL 40 2HG1 VAL 40 3.051 -2.142 -4.773 294 HG13 VAL 40 3HG1 VAL 40 2.812 -2.104 -3.025 295 HG21 VAL 40 1HG2 VAL 40 0.372 -0.902 -2.884 296 HG22 VAL 40 2HG2 VAL 40 1.270 0.488 -2.272 297 HG23 VAL 40 3HG2 VAL 40 0.245 0.658 -3.697 298 H ILE 41 H ILE 41 5.602 -0.549 -3.110 299 HA ILE 41 HA ILE 41 6.629 -0.273 -5.844 300 HB ILE 41 HB ILE 41 8.857 -0.671 -4.843 301 HG12 ILE 41 1HG1 ILE 41 7.296 -0.666 -2.252 302 HG13 ILE 41 2HG1 ILE 41 8.222 -2.007 -2.919 303 HG21 ILE 41 1HG2 ILE 41 7.779 1.526 -3.191 304 HG22 ILE 41 2HG2 ILE 41 9.122 1.516 -4.333 305 HG23 ILE 41 3HG2 ILE 41 7.463 1.616 -4.923 306 HD11 ILE 41 1HD1 ILE 41 10.154 -0.165 -2.782 307 HD12 ILE 41 2HD1 ILE 41 9.127 0.383 -1.457 308 HD13 ILE 41 3HD1 ILE 41 9.761 -1.262 -1.459 309 H GLU 42 H GLU 42 5.726 -2.612 -3.460 310 HA GLU 42 HA GLU 42 6.217 -4.745 -5.385 311 HB2 GLU 42 1HB GLU 42 7.545 -4.506 -2.721 312 HB3 GLU 42 2HB GLU 42 7.075 -6.104 -3.284 313 HG2 GLU 42 1HG GLU 42 8.791 -4.208 -4.865 314 HG3 GLU 42 2HG GLU 42 9.425 -5.458 -3.796 315 H ASP 43 H ASP 43 5.126 -6.767 -4.787 316 HA ASP 43 HA ASP 43 2.539 -6.197 -3.621 317 HB2 ASP 43 1HB ASP 43 1.776 -8.083 -4.700 318 HB3 ASP 43 2HB ASP 43 3.145 -7.671 -5.729 319 H GLY 44 H GLY 44 5.160 -6.501 -2.045 320 HA2 GLY 44 1HA GLY 44 5.768 -7.284 0.024 321 HA3 GLY 44 2HA GLY 44 4.053 -7.552 0.302 322 H ASP 45 H ASP 45 5.492 -9.302 1.543 323 HA ASP 45 HA ASP 45 6.390 -11.538 0.057 324 HB2 ASP 45 1HB ASP 45 5.791 -10.993 2.929 325 HB3 ASP 45 2HB ASP 45 5.948 -12.670 2.416 326 H MET 46 H MET 46 3.303 -10.702 1.535 327 HA MET 46 HA MET 46 2.148 -13.247 0.691 328 HB2 MET 46 1HB MET 46 1.094 -10.972 2.367 329 HB3 MET 46 2HB MET 46 0.089 -12.322 1.858 330 HG2 MET 46 1HG MET 46 0.864 -12.705 4.092 331 HG3 MET 46 2HG MET 46 1.627 -13.863 3.005 332 HE1 MET 46 1HE MET 46 3.536 -11.949 6.203 333 HE2 MET 46 2HE MET 46 2.738 -10.572 5.443 334 HE3 MET 46 3HE MET 46 1.822 -12.037 5.797 335 H GLU 47 H GLU 47 -0.236 -12.951 -0.149 336 HA GLU 47 HA GLU 47 -0.001 -11.406 -2.595 337 HB2 GLU 47 1HB GLU 47 -1.938 -13.484 -1.608 338 HB3 GLU 47 2HB GLU 47 -2.278 -12.534 -3.047 339 HG2 GLU 47 1HG GLU 47 0.097 -14.333 -2.622 340 HG3 GLU 47 2HG GLU 47 -1.305 -14.669 -3.636 341 H ASP 48 H ASP 48 -2.351 -11.709 0.065 342 HA ASP 48 HA ASP 48 -3.969 -9.546 -0.759 343 HB2 ASP 48 1HB ASP 48 -3.643 -11.036 1.831 344 HB3 ASP 48 2HB ASP 48 -4.691 -9.623 1.732 345 H TRP 49 H TRP 49 -1.040 -9.740 1.103 346 HA TRP 49 HA TRP 49 -1.261 -6.925 1.882 347 HB2 TRP 49 1HB TRP 49 0.773 -9.021 2.675 348 HB3 TRP 49 2HB TRP 49 0.714 -7.372 3.291 349 HD1 TRP 49 HD TRP 49 -1.534 -10.534 3.254 350 HE1 TRP 49 1HE TRP 49 -2.889 -10.566 5.442 351 HE3 TRP 49 3HE TRP 49 0.010 -6.079 5.229 352 HZ2 TRP 49 2HZ TRP 49 -3.256 -8.919 7.705 353 HZ3 TRP 49 3HZ TRP 49 -0.892 -5.380 7.409 354 HH2 TRP 49 HH TRP 49 -2.491 -6.772 8.620 355 H VAL 50 H VAL 50 0.218 -5.373 1.251 356 HA VAL 50 HA VAL 50 2.138 -6.167 -0.838 357 HB VAL 50 HB VAL 50 1.672 -4.070 -2.030 358 HG11 VAL 50 1HG1 VAL 50 0.506 -5.760 -3.042 359 HG12 VAL 50 2HG1 VAL 50 -0.449 -6.113 -1.601 360 HG13 VAL 50 3HG1 VAL 50 -0.827 -4.699 -2.586 361 HG21 VAL 50 1HG2 VAL 50 -0.868 -3.409 -0.924 362 HG22 VAL 50 2HG2 VAL 50 0.331 -3.396 0.369 363 HG23 VAL 50 3HG2 VAL 50 0.571 -2.400 -1.066 364 H LYS 51 H LYS 51 3.875 -4.563 -1.182 365 HA LYS 51 HA LYS 51 4.720 -3.444 1.392 366 HB2 LYS 51 1HB LYS 51 6.103 -5.091 -0.149 367 HB3 LYS 51 2HB LYS 51 6.538 -3.599 -0.973 368 HG2 LYS 51 1HG LYS 51 7.447 -2.691 1.076 369 HG3 LYS 51 2HG LYS 51 6.934 -4.127 1.965 370 HD2 LYS 51 1HD LYS 51 8.371 -5.358 0.128 371 HD3 LYS 51 2HD LYS 51 9.165 -3.785 0.021 372 HE2 LYS 51 1HE LYS 51 9.931 -3.883 2.209 373 HE3 LYS 51 2HE LYS 51 8.722 -5.075 2.684 374 HZ1 LYS 51 1HZ LYS 51 10.161 -6.681 2.253 375 HZ2 LYS 51 2HZ LYS 51 11.341 -5.534 1.863 376 HZ3 LYS 51 3HZ LYS 51 10.337 -6.158 0.654 377 H ALA 52 H ALA 52 4.549 -1.334 1.716 378 HA ALA 52 HA ALA 52 4.906 0.494 -0.553 379 HB1 ALA 52 1HB ALA 52 2.690 0.764 1.474 380 HB2 ALA 52 2HB ALA 52 3.014 1.839 0.114 381 HB3 ALA 52 3HB ALA 52 2.486 0.182 -0.178 382 H ARG 53 H ARG 53 5.536 2.647 0.045 383 HA ARG 53 HA ARG 53 6.760 2.781 2.723 384 HB2 ARG 53 1HB ARG 53 8.406 2.605 0.881 385 HB3 ARG 53 2HB ARG 53 7.745 4.073 0.174 386 HG2 ARG 53 1HG ARG 53 8.406 5.330 2.163 387 HG3 ARG 53 2HG ARG 53 9.074 3.856 2.867 388 HD2 ARG 53 1HD ARG 53 10.966 4.772 1.958 389 HD3 ARG 53 2HD ARG 53 10.418 3.774 0.611 390 HE ARG 53 HE ARG 53 9.276 6.307 0.335 391 HH11 ARG 53 2HH1 ARG 53 12.413 4.802 0.243 392 HH12 ARG 53 1HH1 ARG 53 13.079 5.956 -0.865 393 HH21 ARG 53 2HH2 ARG 53 10.140 7.833 -1.124 394 HH22 ARG 53 1HH2 ARG 53 11.785 7.680 -1.641 395 H ASN 54 H ASN 54 6.003 4.322 4.008 396 HA ASN 54 HA ASN 54 4.131 6.267 3.026 397 HB2 ASN 54 1HB ASN 54 4.403 7.047 5.541 398 HB3 ASN 54 2HB ASN 54 3.505 5.587 5.136 399 HD21 ASN 54 1HD2 ASN 54 4.014 5.135 7.423 400 HD22 ASN 54 2HD2 ASN 54 5.506 4.340 7.779 401 H LYS 55 H LYS 55 4.465 8.568 4.213 402 HA LYS 55 HA LYS 55 6.499 9.860 2.763 403 HB2 LYS 55 1HB LYS 55 5.774 11.863 3.789 404 HB3 LYS 55 2HB LYS 55 4.335 10.864 3.640 405 HG2 LYS 55 1HG LYS 55 4.091 11.620 5.776 406 HG3 LYS 55 2HG LYS 55 4.984 10.127 6.075 407 HD2 LYS 55 1HD LYS 55 6.943 11.241 6.566 408 HD3 LYS 55 2HD LYS 55 6.491 12.665 5.626 409 HE2 LYS 55 1HE LYS 55 4.582 12.804 7.460 410 HE3 LYS 55 2HE LYS 55 5.766 11.904 8.407 411 HZ1 LYS 55 1HZ LYS 55 7.381 13.719 7.672 412 HZ2 LYS 55 2HZ LYS 55 6.241 14.116 8.857 413 HZ3 LYS 55 3HZ LYS 55 6.005 14.612 7.257 414 H VAL 56 H VAL 56 6.408 8.513 5.975 415 HA VAL 56 HA VAL 56 8.734 9.835 6.961 416 HB VAL 56 HB VAL 56 8.714 8.064 8.720 417 HG11 VAL 56 1HG1 VAL 56 6.258 8.661 9.451 418 HG12 VAL 56 2HG1 VAL 56 7.519 9.895 9.407 419 HG13 VAL 56 3HG1 VAL 56 6.358 9.771 8.084 420 HG21 VAL 56 1HG2 VAL 56 7.031 6.764 6.783 421 HG22 VAL 56 2HG2 VAL 56 7.757 6.111 8.252 422 HG23 VAL 56 3HG2 VAL 56 6.191 6.918 8.326 423 H GLY 57 H GLY 57 8.188 7.076 4.953 424 HA2 GLY 57 1HA GLY 57 9.987 6.261 3.576 425 HA3 GLY 57 2HA GLY 57 11.096 6.608 4.895 426 H GLN 58 H GLN 58 8.724 5.367 6.577 427 HA GLN 58 HA GLN 58 9.958 2.871 6.984 428 HB2 GLN 58 1HB GLN 58 7.417 4.147 7.888 429 HB3 GLN 58 2HB GLN 58 7.613 2.416 8.126 430 HG2 GLN 58 1HG GLN 58 9.715 2.861 9.344 431 HG3 GLN 58 2HG GLN 58 9.408 4.589 9.179 432 HE21 GLN 58 1HE2 GLN 58 9.337 4.854 11.414 433 HE22 GLN 58 2HE2 GLN 58 7.987 4.329 12.356 434 H VAL 59 H VAL 59 9.695 0.936 6.055 435 HA VAL 59 HA VAL 59 7.536 0.653 4.068 436 HB VAL 59 HB VAL 59 10.127 -0.886 4.057 437 HG11 VAL 59 1HG1 VAL 59 9.041 -2.059 2.507 438 HG12 VAL 59 2HG1 VAL 59 7.697 -0.916 2.486 439 HG13 VAL 59 3HG1 VAL 59 9.119 -0.626 1.483 440 HG21 VAL 59 1HG2 VAL 59 11.022 1.170 3.660 441 HG22 VAL 59 2HG2 VAL 59 10.490 0.784 2.023 442 HG23 VAL 59 3HG2 VAL 59 9.509 1.834 3.044 443 H GLY 60 H GLY 60 6.002 -0.754 4.583 444 HA2 GLY 60 1HA GLY 60 6.719 -3.239 5.943 445 HA3 GLY 60 2HA GLY 60 5.567 -2.191 6.757 446 H TYR 61 H TYR 61 4.609 -4.571 6.305 447 HA TYR 61 HA TYR 61 3.328 -4.728 3.707 448 HB2 TYR 61 1HB TYR 61 3.079 -6.526 6.127 449 HB3 TYR 61 2HB TYR 61 2.414 -6.859 4.532 450 HD1 TYR 61 2HD TYR 61 4.583 -6.153 2.732 451 HD2 TYR 61 1HD TYR 61 4.741 -8.094 6.515 452 HE1 TYR 61 2HE TYR 61 6.688 -7.244 2.078 453 HE2 TYR 61 1HE TYR 61 6.847 -9.190 5.871 454 HH TYR 61 HH TYR 61 8.714 -8.225 3.318 455 H VAL 62 H VAL 62 1.263 -4.225 3.258 456 HA VAL 62 HA VAL 62 -0.586 -3.667 5.463 457 HB VAL 62 HB VAL 62 -1.343 -1.588 4.429 458 HG11 VAL 62 1HG1 VAL 62 0.122 -0.927 6.014 459 HG12 VAL 62 2HG1 VAL 62 1.419 -1.953 5.398 460 HG13 VAL 62 3HG1 VAL 62 1.067 -0.410 4.618 461 HG21 VAL 62 1HG2 VAL 62 0.058 -2.550 2.188 462 HG22 VAL 62 2HG2 VAL 62 -0.861 -1.051 2.327 463 HG23 VAL 62 3HG2 VAL 62 0.866 -1.063 2.684 464 HA PRO 63 HA PRO 63 -3.511 -5.792 2.965 465 HB2 PRO 63 1HB PRO 63 -5.817 -4.663 3.849 466 HB3 PRO 63 2HB PRO 63 -4.876 -5.807 4.813 467 HG2 PRO 63 1HG PRO 63 -4.941 -2.818 4.953 468 HG3 PRO 63 2HG PRO 63 -4.937 -4.000 6.275 469 HD2 PRO 63 1HD PRO 63 -2.708 -2.673 5.500 470 HD3 PRO 63 2HD PRO 63 -2.659 -4.327 6.143 471 H GLU 64 H GLU 64 -3.853 -5.488 0.862 472 HA GLU 64 HA GLU 64 -3.971 -2.918 -0.338 473 HB2 GLU 64 1HB GLU 64 -3.248 -5.261 -1.305 474 HB3 GLU 64 2HB GLU 64 -4.942 -5.360 -1.763 475 HG2 GLU 64 1HG GLU 64 -4.508 -2.996 -2.776 476 HG3 GLU 64 2HG GLU 64 -2.822 -3.509 -2.734 477 H LYS 65 H LYS 65 -6.393 -5.301 0.567 478 HA LYS 65 HA LYS 65 -8.633 -4.528 -0.740 479 HB2 LYS 65 1HB LYS 65 -9.900 -5.077 1.374 480 HB3 LYS 65 2HB LYS 65 -8.780 -6.316 0.821 481 HG2 LYS 65 1HG LYS 65 -7.111 -5.332 2.458 482 HG3 LYS 65 2HG LYS 65 -8.466 -4.420 3.127 483 HD2 LYS 65 1HD LYS 65 -8.628 -7.394 2.778 484 HD3 LYS 65 2HD LYS 65 -7.848 -6.688 4.196 485 HE2 LYS 65 1HE LYS 65 -10.648 -6.009 3.314 486 HE3 LYS 65 2HE LYS 65 -10.274 -7.274 4.484 487 HZ1 LYS 65 1HZ LYS 65 -9.265 -5.629 5.915 488 HZ2 LYS 65 2HZ LYS 65 -10.854 -5.175 5.555 489 HZ3 LYS 65 3HZ LYS 65 -9.560 -4.407 4.783 490 H TYR 66 H TYR 66 -7.156 -2.857 1.999 491 HA TYR 66 HA TYR 66 -9.216 -0.829 2.047 492 HB2 TYR 66 1HB TYR 66 -6.644 -1.209 3.575 493 HB3 TYR 66 2HB TYR 66 -7.637 0.233 3.750 494 HD1 TYR 66 1HD TYR 66 -10.354 -0.889 3.691 495 HD2 TYR 66 2HD TYR 66 -6.839 -2.334 5.603 496 HE1 TYR 66 1HE TYR 66 -11.744 -2.046 5.358 497 HE2 TYR 66 2HE TYR 66 -8.218 -3.496 7.275 498 HH TYR 66 HH TYR 66 -11.727 -3.607 7.006 499 H LEU 67 H LEU 67 -6.065 -1.281 0.657 500 HA LEU 67 HA LEU 67 -5.385 1.405 0.175 501 HB2 LEU 67 1HB LEU 67 -4.626 -1.187 -1.122 502 HB3 LEU 67 2HB LEU 67 -4.047 0.350 -1.760 503 HG LEU 67 HG LEU 67 -3.484 -0.806 0.969 504 HD11 LEU 67 1HD1 LEU 67 -1.555 -0.132 -1.236 505 HD12 LEU 67 2HD1 LEU 67 -2.269 -1.732 -1.041 506 HD13 LEU 67 3HD1 LEU 67 -1.255 -1.058 0.234 507 HD21 LEU 67 1HD2 LEU 67 -3.287 1.929 -0.081 508 HD22 LEU 67 2HD2 LEU 67 -1.825 1.324 0.698 509 HD23 LEU 67 3HD2 LEU 67 -3.350 1.351 1.584 510 H GLN 68 H GLN 68 -5.843 2.802 -1.458 511 HA GLN 68 HA GLN 68 -8.008 2.008 -3.271 512 HB2 GLN 68 1HB GLN 68 -8.323 3.988 -1.769 513 HB3 GLN 68 2HB GLN 68 -7.023 4.793 -2.638 514 HG2 GLN 68 1HG GLN 68 -9.012 5.616 -3.562 515 HG3 GLN 68 2HG GLN 68 -8.388 4.456 -4.734 516 HE21 GLN 68 1HE2 GLN 68 -11.051 5.420 -2.967 517 HE22 GLN 68 2HE2 GLN 68 -12.045 4.027 -3.205 518 H PHE 69 H PHE 69 -6.702 0.924 -4.795 519 HA PHE 69 HA PHE 69 -4.441 2.077 -6.034 520 HB2 PHE 69 1HB PHE 69 -6.264 -0.208 -6.668 521 HB3 PHE 69 2HB PHE 69 -5.139 0.352 -7.901 522 HD1 PHE 69 1HD PHE 69 -4.345 0.499 -4.329 523 HD2 PHE 69 2HD PHE 69 -3.885 -1.695 -7.947 524 HE1 PHE 69 1HE PHE 69 -2.554 -0.831 -3.291 525 HE2 PHE 69 2HE PHE 69 -2.094 -3.029 -6.915 526 HZ PHE 69 HZ PHE 69 -1.427 -2.599 -4.584 527 HA PRO 70 HA PRO 70 -6.084 4.864 -8.996 528 HB2 PRO 70 1HB PRO 70 -4.453 4.453 -11.127 529 HB3 PRO 70 2HB PRO 70 -3.922 5.276 -9.655 530 HG2 PRO 70 1HG PRO 70 -3.497 2.434 -10.495 531 HG3 PRO 70 2HG PRO 70 -2.351 3.564 -9.752 532 HD2 PRO 70 1HD PRO 70 -3.632 1.647 -8.333 533 HD3 PRO 70 2HD PRO 70 -3.186 3.216 -7.632 534 H THR 71 H THR 71 -5.410 1.641 -10.347 535 HA THR 71 HA THR 71 -6.978 1.772 -12.624 536 HB THR 71 HB THR 71 -5.653 -0.137 -12.497 537 HG1 THR 71 1HG THR 71 -7.249 -1.915 -12.296 538 HG21 THR 71 1HG2 THR 71 -6.026 -1.793 -10.529 539 HG22 THR 71 2HG2 THR 71 -6.717 -0.393 -9.708 540 HG23 THR 71 3HG2 THR 71 -5.044 -0.352 -10.265 541 H SER 72 H SER 72 -8.903 2.878 -12.258 542 HA SER 72 HA SER 72 -10.844 1.603 -10.461 543 HB2 SER 72 1HB SER 72 -10.381 4.051 -10.184 544 HB3 SER 72 2HB SER 72 -11.042 4.311 -11.798 545 HG SER 72 HG SER 72 -12.421 3.183 -9.587 546 H SER 73 H SER 73 -13.212 2.056 -11.368 547 HA SER 73 HA SER 73 -13.256 0.875 -14.064 548 HB2 SER 73 1HB SER 73 -15.307 0.700 -11.842 549 HB3 SER 73 2HB SER 73 -15.481 -0.024 -13.441 550 HG SER 73 HG SER 73 -14.647 -1.635 -12.263 551 H GLY 74 H GLY 74 -15.256 2.967 -11.969 552 HA2 GLY 74 1HA GLY 74 -16.071 5.099 -12.541 553 HA3 GLY 74 2HA GLY 74 -15.638 4.792 -14.216 554 HA PRO 75 HA PRO 75 -20.260 4.351 -13.639 555 HB2 PRO 75 1HB PRO 75 -20.945 6.159 -15.546 556 HB3 PRO 75 2HB PRO 75 -20.652 6.605 -13.861 557 HG2 PRO 75 1HG PRO 75 -18.826 6.823 -16.223 558 HG3 PRO 75 2HG PRO 75 -19.114 7.991 -14.920 559 HD2 PRO 75 1HD PRO 75 -16.948 6.367 -14.968 560 HD3 PRO 75 2HD PRO 75 -17.714 6.892 -13.455 561 H SER 76 H SER 76 -21.873 4.026 -15.548 562 HA SER 76 HA SER 76 -20.673 2.048 -17.297 563 HB2 SER 76 1HB SER 76 -23.562 2.867 -16.909 564 HB3 SER 76 2HB SER 76 -23.018 1.524 -17.915 565 HG SER 76 HG SER 76 -21.914 0.895 -15.788 566 H SER 77 H SER 77 -21.207 1.976 -19.603 567 HA SER 77 HA SER 77 -20.322 4.090 -21.052 568 HB2 SER 77 1HB SER 77 -20.910 1.722 -21.853 569 HB3 SER 77 2HB SER 77 -22.538 2.345 -22.119 570 HG SER 77 HG SER 77 -20.132 3.274 -23.303 571 H GLY 78 H GLY 78 -20.976 6.129 -21.155 572 HA2 GLY 78 1HA GLY 78 -22.358 7.938 -21.523 573 HA3 GLY 78 2HA GLY 78 -23.648 6.809 -21.912 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -6.500 -23.808 -12.425 2 HA2 GLY 1 1HA GLY 1 -8.808 -23.139 -10.711 3 HA3 GLY 1 2HA GLY 1 -8.418 -24.759 -11.268 4 H SER 2 H SER 2 -7.053 -22.099 -9.338 5 HA SER 2 HA SER 2 -6.367 -23.972 -7.239 6 HB2 SER 2 1HB SER 2 -4.295 -22.562 -8.899 7 HB3 SER 2 2HB SER 2 -3.968 -22.969 -7.215 8 HG SER 2 HG SER 2 -4.439 -24.679 -9.400 9 H SER 3 H SER 3 -5.548 -22.859 -5.293 10 HA SER 3 HA SER 3 -7.072 -20.491 -4.798 11 HB2 SER 3 1HB SER 3 -5.256 -22.229 -3.164 12 HB3 SER 3 2HB SER 3 -5.731 -20.647 -2.546 13 HG SER 3 HG SER 3 -7.792 -21.291 -2.424 14 H GLY 4 H GLY 4 -6.387 -18.407 -4.466 15 HA2 GLY 4 1HA GLY 4 -4.499 -16.895 -3.975 16 HA3 GLY 4 2HA GLY 4 -3.550 -17.864 -5.092 17 H SER 5 H SER 5 -5.875 -15.329 -4.757 18 HA SER 5 HA SER 5 -6.132 -15.045 -7.658 19 HB2 SER 5 1HB SER 5 -7.614 -13.913 -5.306 20 HB3 SER 5 2HB SER 5 -7.708 -13.111 -6.874 21 HG SER 5 HG SER 5 -8.229 -15.378 -7.630 22 H SER 6 H SER 6 -4.064 -14.299 -8.172 23 HA SER 6 HA SER 6 -3.231 -11.750 -6.986 24 HB2 SER 6 1HB SER 6 -1.782 -13.891 -8.521 25 HB3 SER 6 2HB SER 6 -1.100 -12.271 -8.377 26 HG SER 6 HG SER 6 -0.814 -14.162 -6.666 27 H GLY 7 H GLY 7 -2.672 -9.961 -8.283 28 HA2 GLY 7 1HA GLY 7 -4.380 -9.564 -10.527 29 HA3 GLY 7 2HA GLY 7 -3.160 -8.442 -9.942 30 H THR 8 H THR 8 -3.779 -9.018 -12.680 31 HA THR 8 HA THR 8 -1.193 -10.148 -13.529 32 HB THR 8 HB THR 8 -3.341 -11.525 -14.049 33 HG1 THR 8 1HG THR 8 -1.623 -10.888 -16.227 34 HG21 THR 8 1HG2 THR 8 -3.576 -10.101 -16.587 35 HG22 THR 8 2HG2 THR 8 -4.130 -9.156 -15.205 36 HG23 THR 8 3HG2 THR 8 -4.833 -10.740 -15.528 37 H LEU 9 H LEU 9 -3.015 -7.420 -13.336 38 HA LEU 9 HA LEU 9 -1.585 -6.199 -15.594 39 HB2 LEU 9 1HB LEU 9 -4.491 -6.120 -14.970 40 HB3 LEU 9 2HB LEU 9 -3.740 -4.667 -15.626 41 HG LEU 9 HG LEU 9 -3.661 -7.365 -16.971 42 HD11 LEU 9 1HD1 LEU 9 -5.257 -5.314 -18.251 43 HD12 LEU 9 2HD1 LEU 9 -5.885 -5.751 -16.662 44 HD13 LEU 9 3HD1 LEU 9 -5.652 -6.995 -17.890 45 HD21 LEU 9 1HD2 LEU 9 -1.961 -5.359 -17.372 46 HD22 LEU 9 2HD2 LEU 9 -3.280 -4.794 -18.398 47 HD23 LEU 9 3HD2 LEU 9 -2.551 -6.374 -18.688 48 H ARG 10 H ARG 10 -0.071 -5.545 -13.950 49 HA ARG 10 HA ARG 10 -0.842 -3.019 -12.737 50 HB2 ARG 10 1HB ARG 10 0.391 -5.229 -11.082 51 HB3 ARG 10 2HB ARG 10 0.011 -3.603 -10.531 52 HG2 ARG 10 1HG ARG 10 -2.408 -4.156 -11.160 53 HG3 ARG 10 2HG ARG 10 -1.864 -5.834 -11.219 54 HD2 ARG 10 1HD ARG 10 -1.139 -5.718 -8.915 55 HD3 ARG 10 2HD ARG 10 -1.542 -4.003 -8.845 56 HE ARG 10 HE ARG 10 -3.326 -6.182 -8.487 57 HH11 ARG 10 2HH1 ARG 10 -3.117 -2.961 -9.793 58 HH12 ARG 10 1HH1 ARG 10 -4.804 -2.625 -9.582 59 HH21 ARG 10 2HH2 ARG 10 -5.548 -5.751 -8.203 60 HH22 ARG 10 1HH2 ARG 10 -6.185 -4.213 -8.676 61 H ASN 11 H ASN 11 0.694 -1.580 -13.147 62 HA ASN 11 HA ASN 11 3.419 -2.558 -13.685 63 HB2 ASN 11 1HB ASN 11 2.010 -1.339 -15.505 64 HB3 ASN 11 2HB ASN 11 2.403 0.118 -14.597 65 HD21 ASN 11 1HD2 ASN 11 3.884 -2.710 -16.113 66 HD22 ASN 11 2HD2 ASN 11 5.337 -1.909 -16.596 67 H TYR 12 H TYR 12 4.135 -2.471 -11.543 68 HA TYR 12 HA TYR 12 3.841 -0.170 -9.899 69 HB2 TYR 12 1HB TYR 12 5.553 -2.637 -9.763 70 HB3 TYR 12 2HB TYR 12 5.776 -1.323 -8.613 71 HD1 TYR 12 2HD TYR 12 3.027 -0.459 -8.097 72 HD2 TYR 12 1HD TYR 12 4.605 -4.384 -8.559 73 HE1 TYR 12 2HE TYR 12 1.197 -1.352 -6.716 74 HE2 TYR 12 1HE TYR 12 2.779 -5.287 -7.181 75 HH TYR 12 HH TYR 12 1.146 -4.683 -5.663 76 HA PRO 13 HA PRO 13 5.284 0.532 -8.091 77 HB2 PRO 13 1HB PRO 13 5.511 3.185 -7.562 78 HB3 PRO 13 2HB PRO 13 6.850 2.047 -7.363 79 HG2 PRO 13 1HG PRO 13 6.278 3.922 -9.625 80 HG3 PRO 13 2HG PRO 13 7.823 3.565 -8.831 81 HD2 PRO 13 1HD PRO 13 7.117 2.468 -11.203 82 HD3 PRO 13 2HD PRO 13 8.127 1.614 -10.019 83 H LEU 14 H LEU 14 3.394 1.581 -7.118 84 HA LEU 14 HA LEU 14 1.658 3.027 -8.968 85 HB2 LEU 14 1HB LEU 14 1.025 0.384 -7.691 86 HB3 LEU 14 2HB LEU 14 -0.240 1.491 -8.220 87 HG LEU 14 HG LEU 14 1.874 0.370 -10.054 88 HD11 LEU 14 1HD1 LEU 14 -0.973 -0.568 -9.845 89 HD12 LEU 14 2HD1 LEU 14 0.354 -1.356 -8.992 90 HD13 LEU 14 3HD1 LEU 14 0.356 -1.287 -10.755 91 HD21 LEU 14 1HD2 LEU 14 -0.768 1.713 -10.617 92 HD22 LEU 14 2HD2 LEU 14 0.386 1.124 -11.814 93 HD23 LEU 14 3HD2 LEU 14 0.816 2.474 -10.763 94 H THR 15 H THR 15 1.024 4.782 -7.922 95 HA THR 15 HA THR 15 1.148 5.009 -5.077 96 HB THR 15 HB THR 15 -0.254 6.949 -6.908 97 HG1 THR 15 1HG THR 15 2.486 7.172 -6.281 98 HG21 THR 15 1HG2 THR 15 0.231 8.566 -5.266 99 HG22 THR 15 2HG2 THR 15 1.408 7.523 -4.467 100 HG23 THR 15 3HG2 THR 15 -0.313 7.153 -4.362 101 H CYS 16 H CYS 16 -0.411 4.768 -3.590 102 HA CYS 16 HA CYS 16 -3.161 4.311 -4.546 103 HB2 CYS 16 1HB CYS 16 -3.377 2.824 -2.489 104 HB3 CYS 16 2HB CYS 16 -2.384 2.201 -3.802 105 HG CYS 16 HG CYS 16 0.037 2.693 -2.588 106 H LYS 17 H LYS 17 -4.804 4.611 -2.741 107 HA LYS 17 HA LYS 17 -4.030 6.863 -1.008 108 HB2 LYS 17 1HB LYS 17 -5.296 7.695 -2.943 109 HB3 LYS 17 2HB LYS 17 -6.608 6.587 -2.565 110 HG2 LYS 17 1HG LYS 17 -7.283 8.682 -1.749 111 HG3 LYS 17 2HG LYS 17 -6.779 7.759 -0.331 112 HD2 LYS 17 1HD LYS 17 -4.708 8.926 -0.209 113 HD3 LYS 17 2HD LYS 17 -4.965 9.673 -1.787 114 HE2 LYS 17 1HE LYS 17 -6.823 10.132 0.530 115 HE3 LYS 17 2HE LYS 17 -5.384 11.117 0.273 116 HZ1 LYS 17 1HZ LYS 17 -6.218 11.825 -1.829 117 HZ2 LYS 17 2HZ LYS 17 -7.442 12.066 -0.687 118 HZ3 LYS 17 3HZ LYS 17 -7.524 10.753 -1.750 119 H VAL 18 H VAL 18 -4.105 6.080 0.999 120 HA VAL 18 HA VAL 18 -5.632 3.884 1.848 121 HB VAL 18 HB VAL 18 -4.411 6.124 3.464 122 HG11 VAL 18 1HG1 VAL 18 -6.204 4.020 4.259 123 HG12 VAL 18 2HG1 VAL 18 -4.633 3.825 5.040 124 HG13 VAL 18 3HG1 VAL 18 -5.525 5.336 5.217 125 HG21 VAL 18 1HG2 VAL 18 -2.669 4.975 2.404 126 HG22 VAL 18 2HG2 VAL 18 -2.767 4.234 4.002 127 HG23 VAL 18 3HG2 VAL 18 -3.459 3.410 2.604 128 H VAL 19 H VAL 19 -7.793 3.898 1.645 129 HA VAL 19 HA VAL 19 -9.316 6.282 2.357 130 HB VAL 19 HB VAL 19 -11.285 4.843 1.601 131 HG11 VAL 19 1HG1 VAL 19 -9.182 6.118 0.039 132 HG12 VAL 19 2HG1 VAL 19 -10.111 4.934 -0.882 133 HG13 VAL 19 3HG1 VAL 19 -10.934 6.272 -0.081 134 HG21 VAL 19 1HG2 VAL 19 -10.993 2.778 0.731 135 HG22 VAL 19 2HG2 VAL 19 -9.406 3.163 0.065 136 HG23 VAL 19 3HG2 VAL 19 -9.573 2.777 1.777 137 H TYR 20 H TYR 20 -8.522 3.148 3.598 138 HA TYR 20 HA TYR 20 -10.295 3.644 5.898 139 HB2 TYR 20 1HB TYR 20 -9.657 1.019 4.547 140 HB3 TYR 20 2HB TYR 20 -10.411 1.131 6.133 141 HD1 TYR 20 1HD TYR 20 -12.694 2.019 6.363 142 HD2 TYR 20 2HD TYR 20 -10.897 1.486 2.543 143 HE1 TYR 20 1HE TYR 20 -14.906 2.202 5.304 144 HE2 TYR 20 2HE TYR 20 -13.104 1.670 1.473 145 HH TYR 20 HH TYR 20 -15.836 2.815 3.078 146 H SER 21 H SER 21 -8.948 4.348 7.438 147 HA SER 21 HA SER 21 -6.266 3.955 7.740 148 HB2 SER 21 1HB SER 21 -6.562 4.458 10.127 149 HB3 SER 21 2HB SER 21 -7.582 5.500 9.135 150 HG SER 21 HG SER 21 -8.426 3.138 10.469 151 H TYR 22 H TYR 22 -5.012 2.614 9.200 152 HA TYR 22 HA TYR 22 -6.154 0.149 10.163 153 HB2 TYR 22 1HB TYR 22 -5.828 -0.381 7.784 154 HB3 TYR 22 2HB TYR 22 -4.132 0.075 7.912 155 HD1 TYR 22 2HD TYR 22 -6.653 -2.417 8.933 156 HD2 TYR 22 1HD TYR 22 -2.517 -1.422 8.836 157 HE1 TYR 22 2HE TYR 22 -6.089 -4.723 9.576 158 HE2 TYR 22 1HE TYR 22 -1.942 -3.726 9.477 159 HH TYR 22 HH TYR 22 -4.035 -6.264 9.283 160 H LYS 23 H LYS 23 -5.242 -0.069 12.084 161 HA LYS 23 HA LYS 23 -2.676 1.118 12.672 162 HB2 LYS 23 1HB LYS 23 -4.825 -0.222 14.259 163 HB3 LYS 23 2HB LYS 23 -3.213 -0.102 14.953 164 HG2 LYS 23 1HG LYS 23 -4.680 2.287 13.879 165 HG3 LYS 23 2HG LYS 23 -4.858 1.730 15.545 166 HD2 LYS 23 1HD LYS 23 -2.535 2.078 15.984 167 HD3 LYS 23 2HD LYS 23 -2.202 2.387 14.278 168 HE2 LYS 23 1HE LYS 23 -2.283 4.530 15.094 169 HE3 LYS 23 2HE LYS 23 -3.961 4.303 14.604 170 HZ1 LYS 23 1HZ LYS 23 -4.674 4.240 16.740 171 HZ2 LYS 23 2HZ LYS 23 -3.308 5.208 16.979 172 HZ3 LYS 23 3HZ LYS 23 -3.247 3.555 17.335 173 H ALA 24 H ALA 24 -0.762 0.112 12.823 174 HA ALA 24 HA ALA 24 -0.525 -2.590 11.894 175 HB1 ALA 24 1HB ALA 24 1.640 -0.832 13.034 176 HB2 ALA 24 2HB ALA 24 1.842 -2.248 12.001 177 HB3 ALA 24 3HB ALA 24 1.102 -0.783 11.355 178 H SER 25 H SER 25 -0.507 -4.387 13.070 179 HA SER 25 HA SER 25 -0.423 -4.166 15.982 180 HB2 SER 25 1HB SER 25 -2.287 -5.430 15.133 181 HB3 SER 25 2HB SER 25 -1.224 -6.430 14.142 182 HG SER 25 HG SER 25 -1.743 -6.538 16.870 183 H GLN 26 H GLN 26 1.295 -5.648 13.299 184 HA GLN 26 HA GLN 26 3.242 -6.813 15.154 185 HB2 GLN 26 1HB GLN 26 2.690 -7.240 12.224 186 HB3 GLN 26 2HB GLN 26 4.148 -7.849 12.996 187 HG2 GLN 26 1HG GLN 26 2.496 -8.931 14.678 188 HG3 GLN 26 2HG GLN 26 1.310 -8.675 13.398 189 HE21 GLN 26 1HE2 GLN 26 2.085 -11.189 14.386 190 HE22 GLN 26 2HE2 GLN 26 2.865 -12.053 13.109 191 HA PRO 27 HA PRO 27 6.267 -3.720 14.406 192 HB2 PRO 27 1HB PRO 27 8.543 -5.174 14.676 193 HB3 PRO 27 2HB PRO 27 7.518 -4.732 16.046 194 HG2 PRO 27 1HG PRO 27 7.651 -7.312 14.536 195 HG3 PRO 27 2HG PRO 27 7.537 -7.045 16.285 196 HD2 PRO 27 1HD PRO 27 5.393 -7.707 14.770 197 HD3 PRO 27 2HD PRO 27 5.264 -6.673 16.207 198 H ASP 28 H ASP 28 5.576 -6.095 12.222 199 HA ASP 28 HA ASP 28 7.679 -5.231 10.351 200 HB2 ASP 28 1HB ASP 28 6.026 -7.757 10.446 201 HB3 ASP 28 2HB ASP 28 7.017 -7.308 9.060 202 H GLU 29 H GLU 29 4.566 -4.601 11.141 203 HA GLU 29 HA GLU 29 3.581 -4.341 8.405 204 HB2 GLU 29 1HB GLU 29 2.348 -4.286 11.113 205 HB3 GLU 29 2HB GLU 29 1.561 -3.357 9.845 206 HG2 GLU 29 1HG GLU 29 0.654 -5.639 10.125 207 HG3 GLU 29 2HG GLU 29 1.262 -5.309 8.503 208 H LEU 30 H LEU 30 2.483 -2.280 7.808 209 HA LEU 30 HA LEU 30 4.066 0.008 8.769 210 HB2 LEU 30 1HB LEU 30 4.051 -0.875 6.283 211 HB3 LEU 30 2HB LEU 30 2.574 0.083 6.194 212 HG LEU 30 HG LEU 30 4.501 1.323 5.357 213 HD11 LEU 30 1HD1 LEU 30 2.596 2.221 7.119 214 HD12 LEU 30 2HD1 LEU 30 3.675 3.233 6.158 215 HD13 LEU 30 3HD1 LEU 30 4.099 2.822 7.820 216 HD21 LEU 30 1HD2 LEU 30 5.687 1.544 8.066 217 HD22 LEU 30 2HD2 LEU 30 6.454 1.635 6.480 218 HD23 LEU 30 3HD2 LEU 30 6.001 0.068 7.153 219 H THR 31 H THR 31 2.947 1.196 10.165 220 HA THR 31 HA THR 31 0.153 1.194 10.438 221 HB THR 31 HB THR 31 2.092 3.330 11.348 222 HG1 THR 31 1HG THR 31 1.744 2.035 13.388 223 HG21 THR 31 1HG2 THR 31 -0.564 3.606 11.318 224 HG22 THR 31 2HG2 THR 31 0.437 4.236 12.627 225 HG23 THR 31 3HG2 THR 31 -0.404 2.699 12.821 226 H ILE 32 H ILE 32 -1.336 2.045 9.154 227 HA ILE 32 HA ILE 32 -0.657 4.472 7.625 228 HB ILE 32 HB ILE 32 -2.149 3.732 5.850 229 HG12 ILE 32 1HG1 ILE 32 -2.446 1.187 7.460 230 HG13 ILE 32 2HG1 ILE 32 -3.693 2.413 7.260 231 HG21 ILE 32 1HG2 ILE 32 -0.806 1.880 4.984 232 HG22 ILE 32 2HG2 ILE 32 0.206 3.125 5.714 233 HG23 ILE 32 3HG2 ILE 32 -0.119 1.628 6.588 234 HD11 ILE 32 1HD1 ILE 32 -3.155 1.889 4.688 235 HD12 ILE 32 2HD1 ILE 32 -2.773 0.324 5.407 236 HD13 ILE 32 3HD1 ILE 32 -4.374 1.030 5.628 237 H GLU 33 H GLU 33 -2.682 5.671 6.901 238 HA GLU 33 HA GLU 33 -4.999 5.402 8.598 239 HB2 GLU 33 1HB GLU 33 -2.936 7.492 9.060 240 HB3 GLU 33 2HB GLU 33 -4.620 7.988 9.165 241 HG2 GLU 33 1HG GLU 33 -4.991 6.170 10.815 242 HG3 GLU 33 2HG GLU 33 -3.259 5.845 10.778 243 H GLU 34 H GLU 34 -6.759 6.743 7.941 244 HA GLU 34 HA GLU 34 -7.168 6.990 5.250 245 HB2 GLU 34 1HB GLU 34 -8.838 7.234 7.193 246 HB3 GLU 34 2HB GLU 34 -8.400 8.937 7.185 247 HG2 GLU 34 1HG GLU 34 -9.320 9.295 5.083 248 HG3 GLU 34 2HG GLU 34 -9.315 7.578 4.683 249 H HIS 35 H HIS 35 -7.043 8.627 3.721 250 HA HIS 35 HA HIS 35 -6.183 10.442 2.651 251 HB2 HIS 35 1HB HIS 35 -5.827 11.724 5.359 252 HB3 HIS 35 2HB HIS 35 -6.051 12.522 3.805 253 HD1 HIS 35 1HD HIS 35 -7.858 12.710 6.506 254 HD2 HIS 35 2HD HIS 35 -8.775 10.771 2.947 255 HE1 HIS 35 1HE HIS 35 -10.367 12.560 6.450 256 HE2 HIS 35 2HE HIS 35 -10.895 11.307 4.329 257 H GLU 36 H GLU 36 -4.441 8.394 3.065 258 HA GLU 36 HA GLU 36 -1.906 9.826 3.468 259 HB2 GLU 36 1HB GLU 36 -2.408 8.401 5.444 260 HB3 GLU 36 2HB GLU 36 -2.452 6.998 4.385 261 HG2 GLU 36 1HG GLU 36 -0.155 7.123 3.937 262 HG3 GLU 36 2HG GLU 36 -0.036 8.761 4.577 263 H VAL 37 H VAL 37 -1.387 10.018 1.339 264 HA VAL 37 HA VAL 37 -1.720 7.895 -0.547 265 HB VAL 37 HB VAL 37 -0.056 10.405 -0.792 266 HG11 VAL 37 1HG1 VAL 37 -1.041 8.423 -2.836 267 HG12 VAL 37 2HG1 VAL 37 -0.389 10.012 -3.241 268 HG13 VAL 37 3HG1 VAL 37 0.631 8.818 -2.439 269 HG21 VAL 37 1HG2 VAL 37 -2.881 9.882 -1.712 270 HG22 VAL 37 2HG2 VAL 37 -2.432 10.855 -0.311 271 HG23 VAL 37 3HG2 VAL 37 -1.964 11.373 -1.930 272 H LEU 38 H LEU 38 -0.514 6.122 -0.546 273 HA LEU 38 HA LEU 38 2.292 6.309 0.313 274 HB2 LEU 38 1HB LEU 38 0.592 3.839 0.025 275 HB3 LEU 38 2HB LEU 38 2.197 3.943 0.747 276 HG LEU 38 HG LEU 38 -0.086 5.476 1.931 277 HD11 LEU 38 1HD1 LEU 38 0.575 2.645 2.696 278 HD12 LEU 38 2HD1 LEU 38 -0.738 3.058 1.593 279 HD13 LEU 38 3HD1 LEU 38 -0.765 3.646 3.256 280 HD21 LEU 38 1HD2 LEU 38 1.505 4.476 3.924 281 HD22 LEU 38 2HD2 LEU 38 1.641 6.085 3.214 282 HD23 LEU 38 3HD2 LEU 38 2.661 4.772 2.625 283 H GLU 39 H GLU 39 3.567 4.332 -0.785 284 HA GLU 39 HA GLU 39 3.029 4.405 -3.676 285 HB2 GLU 39 1HB GLU 39 4.906 5.981 -2.793 286 HB3 GLU 39 2HB GLU 39 5.837 4.499 -2.626 287 HG2 GLU 39 1HG GLU 39 5.680 4.052 -4.965 288 HG3 GLU 39 2HG GLU 39 4.542 5.378 -5.192 289 H VAL 40 H VAL 40 2.470 2.357 -4.091 290 HA VAL 40 HA VAL 40 3.601 0.124 -2.690 291 HB VAL 40 HB VAL 40 1.880 0.137 -5.173 292 HG11 VAL 40 1HG1 VAL 40 2.672 -2.046 -3.258 293 HG12 VAL 40 2HG1 VAL 40 1.315 -2.185 -4.377 294 HG13 VAL 40 3HG1 VAL 40 2.953 -1.973 -4.997 295 HG21 VAL 40 1HG2 VAL 40 0.214 -0.640 -3.236 296 HG22 VAL 40 2HG2 VAL 40 1.267 0.410 -2.289 297 HG23 VAL 40 3HG2 VAL 40 0.418 1.050 -3.696 298 H ILE 41 H ILE 41 5.622 -0.506 -3.070 299 HA ILE 41 HA ILE 41 6.699 -0.309 -5.792 300 HB ILE 41 HB ILE 41 8.905 -0.772 -4.695 301 HG12 ILE 41 1HG1 ILE 41 7.303 -0.369 -2.159 302 HG13 ILE 41 2HG1 ILE 41 8.029 -1.885 -2.679 303 HG21 ILE 41 1HG2 ILE 41 8.133 1.596 -3.235 304 HG22 ILE 41 2HG2 ILE 41 9.178 1.434 -4.645 305 HG23 ILE 41 3HG2 ILE 41 7.434 1.582 -4.853 306 HD11 ILE 41 1HD1 ILE 41 9.668 -1.225 -1.291 307 HD12 ILE 41 2HD1 ILE 41 10.198 -0.314 -2.705 308 HD13 ILE 41 3HD1 ILE 41 9.260 0.484 -1.442 309 H GLU 42 H GLU 42 5.884 -2.585 -3.275 310 HA GLU 42 HA GLU 42 6.337 -4.773 -5.163 311 HB2 GLU 42 1HB GLU 42 7.422 -4.663 -2.348 312 HB3 GLU 42 2HB GLU 42 7.290 -6.150 -3.276 313 HG2 GLU 42 1HG GLU 42 9.001 -5.603 -4.671 314 HG3 GLU 42 2HG GLU 42 8.723 -3.869 -4.515 315 H ASP 43 H ASP 43 5.309 -6.826 -4.386 316 HA ASP 43 HA ASP 43 2.706 -6.183 -3.223 317 HB2 ASP 43 1HB ASP 43 2.339 -8.695 -3.974 318 HB3 ASP 43 2HB ASP 43 2.281 -7.378 -5.142 319 H GLY 44 H GLY 44 5.198 -6.473 -1.626 320 HA2 GLY 44 1HA GLY 44 5.887 -7.434 0.343 321 HA3 GLY 44 2HA GLY 44 4.177 -7.717 0.627 322 H ASP 45 H ASP 45 5.463 -9.564 1.772 323 HA ASP 45 HA ASP 45 6.387 -11.708 0.133 324 HB2 ASP 45 1HB ASP 45 5.757 -11.411 3.054 325 HB3 ASP 45 2HB ASP 45 6.102 -12.998 2.373 326 H MET 46 H MET 46 3.319 -10.844 1.584 327 HA MET 46 HA MET 46 2.125 -13.368 0.717 328 HB2 MET 46 1HB MET 46 1.344 -11.205 2.608 329 HB3 MET 46 2HB MET 46 0.055 -12.111 1.829 330 HG2 MET 46 1HG MET 46 2.269 -13.627 3.099 331 HG3 MET 46 2HG MET 46 1.077 -12.850 4.138 332 HE1 MET 46 1HE MET 46 -1.185 -13.002 4.021 333 HE2 MET 46 2HE MET 46 -2.140 -13.889 2.832 334 HE3 MET 46 3HE MET 46 -1.727 -14.644 4.372 335 H GLU 47 H GLU 47 0.019 -13.283 -0.416 336 HA GLU 47 HA GLU 47 0.213 -11.561 -2.705 337 HB2 GLU 47 1HB GLU 47 -1.782 -12.772 -3.501 338 HB3 GLU 47 2HB GLU 47 -0.501 -13.863 -2.991 339 HG2 GLU 47 1HG GLU 47 -2.274 -14.882 -2.013 340 HG3 GLU 47 2HG GLU 47 -1.815 -13.789 -0.709 341 H ASP 48 H ASP 48 -2.076 -11.950 -0.022 342 HA ASP 48 HA ASP 48 -3.827 -9.881 -0.867 343 HB2 ASP 48 1HB ASP 48 -4.764 -11.467 0.603 344 HB3 ASP 48 2HB ASP 48 -3.426 -11.328 1.742 345 H TRP 49 H TRP 49 -0.882 -9.946 0.972 346 HA TRP 49 HA TRP 49 -1.234 -7.163 1.805 347 HB2 TRP 49 1HB TRP 49 0.840 -9.242 2.516 348 HB3 TRP 49 2HB TRP 49 0.916 -7.568 3.058 349 HD1 TRP 49 HD TRP 49 -1.403 -10.651 3.381 350 HE1 TRP 49 1HE TRP 49 -2.631 -10.489 5.638 351 HE3 TRP 49 3HE TRP 49 0.298 -6.077 4.904 352 HZ2 TRP 49 2HZ TRP 49 -2.850 -8.664 7.779 353 HZ3 TRP 49 3HZ TRP 49 -0.469 -5.195 7.069 354 HH2 TRP 49 HH TRP 49 -2.011 -6.463 8.475 355 H VAL 50 H VAL 50 0.395 -5.577 1.373 356 HA VAL 50 HA VAL 50 2.211 -6.188 -0.847 357 HB VAL 50 HB VAL 50 1.607 -4.079 -1.978 358 HG11 VAL 50 1HG1 VAL 50 -0.990 -5.052 -2.236 359 HG12 VAL 50 2HG1 VAL 50 0.414 -5.498 -3.208 360 HG13 VAL 50 3HG1 VAL 50 -0.020 -6.456 -1.792 361 HG21 VAL 50 1HG2 VAL 50 -0.063 -2.662 -1.287 362 HG22 VAL 50 2HG2 VAL 50 -0.904 -3.918 -0.379 363 HG23 VAL 50 3HG2 VAL 50 0.571 -3.200 0.269 364 H LYS 51 H LYS 51 3.913 -4.595 -1.130 365 HA LYS 51 HA LYS 51 4.658 -3.384 1.432 366 HB2 LYS 51 1HB LYS 51 6.123 -5.029 -0.039 367 HB3 LYS 51 2HB LYS 51 6.543 -3.542 -0.878 368 HG2 LYS 51 1HG LYS 51 7.405 -2.577 1.145 369 HG3 LYS 51 2HG LYS 51 6.848 -3.962 2.087 370 HD2 LYS 51 1HD LYS 51 8.338 -5.344 0.480 371 HD3 LYS 51 2HD LYS 51 9.102 -3.793 0.120 372 HE2 LYS 51 1HE LYS 51 9.195 -3.615 2.746 373 HE3 LYS 51 2HE LYS 51 9.089 -5.372 2.647 374 HZ1 LYS 51 1HZ LYS 51 11.125 -3.721 1.252 375 HZ2 LYS 51 2HZ LYS 51 11.050 -5.410 1.281 376 HZ3 LYS 51 3HZ LYS 51 11.388 -4.554 2.700 377 H ALA 52 H ALA 52 4.539 -1.260 1.708 378 HA ALA 52 HA ALA 52 4.835 0.508 -0.613 379 HB1 ALA 52 1HB ALA 52 2.655 0.955 -0.607 380 HB2 ALA 52 2HB ALA 52 2.407 0.089 0.909 381 HB3 ALA 52 3HB ALA 52 2.917 1.777 0.931 382 H ARG 53 H ARG 53 5.535 2.634 -0.115 383 HA ARG 53 HA ARG 53 6.789 2.851 2.540 384 HB2 ARG 53 1HB ARG 53 8.309 2.748 0.540 385 HB3 ARG 53 2HB ARG 53 7.615 4.273 0.007 386 HG2 ARG 53 1HG ARG 53 8.326 5.125 2.350 387 HG3 ARG 53 2HG ARG 53 9.391 3.718 2.340 388 HD2 ARG 53 1HD ARG 53 10.072 4.600 -0.015 389 HD3 ARG 53 2HD ARG 53 9.407 6.125 0.568 390 HE ARG 53 HE ARG 53 11.300 6.388 1.800 391 HH11 ARG 53 2HH1 ARG 53 10.871 2.992 1.164 392 HH12 ARG 53 1HH1 ARG 53 12.357 2.529 1.924 393 HH21 ARG 53 2HH2 ARG 53 13.259 5.790 2.804 394 HH22 ARG 53 1HH2 ARG 53 13.714 4.121 2.858 395 H ASN 54 H ASN 54 6.130 4.419 3.856 396 HA ASN 54 HA ASN 54 4.152 6.319 2.917 397 HB2 ASN 54 1HB ASN 54 4.235 6.996 5.422 398 HB3 ASN 54 2HB ASN 54 3.551 5.431 4.992 399 HD21 ASN 54 1HD2 ASN 54 4.090 5.226 7.373 400 HD22 ASN 54 2HD2 ASN 54 5.641 4.566 7.752 401 H LYS 55 H LYS 55 4.462 8.554 4.297 402 HA LYS 55 HA LYS 55 6.409 9.996 2.902 403 HB2 LYS 55 1HB LYS 55 5.889 11.841 4.473 404 HB3 LYS 55 2HB LYS 55 4.448 11.090 3.800 405 HG2 LYS 55 1HG LYS 55 4.471 9.670 5.961 406 HG3 LYS 55 2HG LYS 55 5.536 10.935 6.578 407 HD2 LYS 55 1HD LYS 55 2.947 11.658 5.263 408 HD3 LYS 55 2HD LYS 55 2.967 11.123 6.945 409 HE2 LYS 55 1HE LYS 55 4.739 13.331 5.934 410 HE3 LYS 55 2HE LYS 55 3.105 13.630 6.523 411 HZ1 LYS 55 1HZ LYS 55 4.398 12.042 8.410 412 HZ2 LYS 55 2HZ LYS 55 3.911 13.654 8.569 413 HZ3 LYS 55 3HZ LYS 55 5.466 13.292 8.009 414 H VAL 56 H VAL 56 6.403 8.777 6.235 415 HA VAL 56 HA VAL 56 8.855 9.869 7.038 416 HB VAL 56 HB VAL 56 8.849 7.712 8.564 417 HG11 VAL 56 1HG1 VAL 56 6.995 8.899 9.939 418 HG12 VAL 56 2HG1 VAL 56 8.512 9.744 9.622 419 HG13 VAL 56 3HG1 VAL 56 7.076 10.119 8.668 420 HG21 VAL 56 1HG2 VAL 56 6.829 6.579 8.770 421 HG22 VAL 56 2HG2 VAL 56 5.928 7.825 7.906 422 HG23 VAL 56 3HG2 VAL 56 7.012 6.749 7.024 423 H GLY 57 H GLY 57 8.217 7.492 4.730 424 HA2 GLY 57 1HA GLY 57 9.804 6.506 3.321 425 HA3 GLY 57 2HA GLY 57 11.059 6.928 4.476 426 H GLN 58 H GLN 58 8.569 5.540 6.159 427 HA GLN 58 HA GLN 58 10.062 3.152 6.647 428 HB2 GLN 58 1HB GLN 58 7.529 4.340 7.670 429 HB3 GLN 58 2HB GLN 58 7.783 2.615 7.904 430 HG2 GLN 58 1HG GLN 58 9.892 3.085 9.050 431 HG3 GLN 58 2HG GLN 58 9.621 4.812 8.827 432 HE21 GLN 58 1HE2 GLN 58 9.336 2.318 10.946 433 HE22 GLN 58 2HE2 GLN 58 8.131 2.969 12.000 434 H VAL 59 H VAL 59 9.756 1.127 5.893 435 HA VAL 59 HA VAL 59 7.581 0.740 3.941 436 HB VAL 59 HB VAL 59 10.237 -0.695 3.978 437 HG11 VAL 59 1HG1 VAL 59 8.248 -0.539 1.732 438 HG12 VAL 59 2HG1 VAL 59 9.611 -1.644 1.918 439 HG13 VAL 59 3HG1 VAL 59 8.193 -1.809 2.954 440 HG21 VAL 59 1HG2 VAL 59 10.871 0.692 2.088 441 HG22 VAL 59 2HG2 VAL 59 9.340 1.562 2.187 442 HG23 VAL 59 3HG2 VAL 59 10.518 1.700 3.492 443 H GLY 60 H GLY 60 6.065 -0.649 4.551 444 HA2 GLY 60 1HA GLY 60 6.827 -3.060 6.019 445 HA3 GLY 60 2HA GLY 60 5.670 -1.986 6.791 446 H TYR 61 H TYR 61 4.663 -4.330 6.520 447 HA TYR 61 HA TYR 61 3.385 -4.662 3.928 448 HB2 TYR 61 1HB TYR 61 3.223 -6.317 6.455 449 HB3 TYR 61 2HB TYR 61 2.450 -6.733 4.930 450 HD1 TYR 61 2HD TYR 61 4.616 -5.998 3.024 451 HD2 TYR 61 1HD TYR 61 4.777 -8.041 6.753 452 HE1 TYR 61 2HE TYR 61 6.665 -7.150 2.298 453 HE2 TYR 61 1HE TYR 61 6.827 -9.198 6.038 454 HH TYR 61 HH TYR 61 7.882 -9.264 2.848 455 H VAL 62 H VAL 62 1.300 -4.226 3.475 456 HA VAL 62 HA VAL 62 -0.547 -3.582 5.648 457 HB VAL 62 HB VAL 62 -1.256 -1.498 4.675 458 HG11 VAL 62 1HG1 VAL 62 1.755 -1.483 4.825 459 HG12 VAL 62 2HG1 VAL 62 0.664 -0.128 5.123 460 HG13 VAL 62 3HG1 VAL 62 0.688 -1.503 6.228 461 HG21 VAL 62 1HG2 VAL 62 0.044 -2.509 2.351 462 HG22 VAL 62 2HG2 VAL 62 -0.995 -1.093 2.507 463 HG23 VAL 62 3HG2 VAL 62 0.744 -0.941 2.753 464 HA PRO 63 HA PRO 63 -3.449 -5.732 3.143 465 HB2 PRO 63 1HB PRO 63 -5.762 -4.599 4.003 466 HB3 PRO 63 2HB PRO 63 -4.827 -5.737 4.982 467 HG2 PRO 63 1HG PRO 63 -4.896 -2.746 5.101 468 HG3 PRO 63 2HG PRO 63 -4.900 -3.919 6.431 469 HD2 PRO 63 1HD PRO 63 -2.666 -2.596 5.663 470 HD3 PRO 63 2HD PRO 63 -2.621 -4.246 6.318 471 H GLU 64 H GLU 64 -3.676 -5.409 1.025 472 HA GLU 64 HA GLU 64 -3.835 -2.851 -0.176 473 HB2 GLU 64 1HB GLU 64 -3.018 -5.129 -1.150 474 HB3 GLU 64 2HB GLU 64 -4.709 -5.355 -1.576 475 HG2 GLU 64 1HG GLU 64 -4.417 -2.951 -2.610 476 HG3 GLU 64 2HG GLU 64 -2.721 -3.430 -2.649 477 H LYS 65 H LYS 65 -6.240 -5.277 0.666 478 HA LYS 65 HA LYS 65 -8.460 -4.509 -0.689 479 HB2 LYS 65 1HB LYS 65 -9.752 -5.093 1.432 480 HB3 LYS 65 2HB LYS 65 -8.678 -6.330 0.792 481 HG2 LYS 65 1HG LYS 65 -6.953 -5.520 2.441 482 HG3 LYS 65 2HG LYS 65 -8.235 -4.551 3.172 483 HD2 LYS 65 1HD LYS 65 -8.534 -7.509 2.735 484 HD3 LYS 65 2HD LYS 65 -7.768 -6.854 4.184 485 HE2 LYS 65 1HE LYS 65 -10.448 -5.844 3.331 486 HE3 LYS 65 2HE LYS 65 -10.323 -7.386 4.176 487 HZ1 LYS 65 1HZ LYS 65 -10.457 -4.936 5.345 488 HZ2 LYS 65 2HZ LYS 65 -8.809 -5.305 5.434 489 HZ3 LYS 65 3HZ LYS 65 -9.948 -6.363 6.100 490 H TYR 66 H TYR 66 -7.032 -2.863 2.082 491 HA TYR 66 HA TYR 66 -9.139 -0.888 2.186 492 HB2 TYR 66 1HB TYR 66 -6.571 -1.305 3.695 493 HB3 TYR 66 2HB TYR 66 -7.484 0.191 3.856 494 HD1 TYR 66 1HD TYR 66 -10.255 -0.752 3.842 495 HD2 TYR 66 2HD TYR 66 -6.820 -2.423 5.716 496 HE1 TYR 66 1HE TYR 66 -11.698 -1.812 5.528 497 HE2 TYR 66 2HE TYR 66 -8.254 -3.488 7.407 498 HH TYR 66 HH TYR 66 -11.632 -2.751 7.679 499 H LEU 67 H LEU 67 -6.058 -1.267 0.669 500 HA LEU 67 HA LEU 67 -5.494 1.483 0.225 501 HB2 LEU 67 1HB LEU 67 -4.536 -1.060 -1.051 502 HB3 LEU 67 2HB LEU 67 -4.009 0.523 -1.620 503 HG LEU 67 HG LEU 67 -3.538 -0.638 1.125 504 HD11 LEU 67 1HD1 LEU 67 -1.149 -0.495 0.388 505 HD12 LEU 67 2HD1 LEU 67 -1.738 -0.174 -1.242 506 HD13 LEU 67 3HD1 LEU 67 -2.116 -1.705 -0.455 507 HD21 LEU 67 1HD2 LEU 67 -2.042 1.395 1.332 508 HD22 LEU 67 2HD2 LEU 67 -3.779 1.691 1.419 509 HD23 LEU 67 3HD2 LEU 67 -2.896 2.048 -0.067 510 H GLN 68 H GLN 68 -5.755 2.723 -1.646 511 HA GLN 68 HA GLN 68 -7.877 1.765 -3.449 512 HB2 GLN 68 1HB GLN 68 -8.263 3.804 -1.907 513 HB3 GLN 68 2HB GLN 68 -7.203 4.661 -3.017 514 HG2 GLN 68 1HG GLN 68 -9.527 5.038 -3.577 515 HG3 GLN 68 2HG GLN 68 -8.709 4.152 -4.863 516 HE21 GLN 68 1HE2 GLN 68 -11.067 3.773 -5.346 517 HE22 GLN 68 2HE2 GLN 68 -11.785 2.363 -4.654 518 H PHE 69 H PHE 69 -6.689 0.887 -5.089 519 HA PHE 69 HA PHE 69 -4.383 2.184 -6.186 520 HB2 PHE 69 1HB PHE 69 -6.000 -0.234 -6.925 521 HB3 PHE 69 2HB PHE 69 -4.797 0.400 -8.042 522 HD1 PHE 69 1HD PHE 69 -4.697 0.178 -4.334 523 HD2 PHE 69 2HD PHE 69 -3.089 -1.164 -8.039 524 HE1 PHE 69 1HE PHE 69 -2.937 -1.043 -3.124 525 HE2 PHE 69 2HE PHE 69 -1.327 -2.388 -6.835 526 HZ PHE 69 HZ PHE 69 -1.250 -2.330 -4.375 527 HA PRO 70 HA PRO 70 -6.199 4.827 -9.181 528 HB2 PRO 70 1HB PRO 70 -4.408 4.651 -11.213 529 HB3 PRO 70 2HB PRO 70 -4.068 5.508 -9.705 530 HG2 PRO 70 1HG PRO 70 -3.253 2.752 -10.544 531 HG3 PRO 70 2HG PRO 70 -2.298 4.000 -9.723 532 HD2 PRO 70 1HD PRO 70 -3.418 1.919 -8.401 533 HD3 PRO 70 2HD PRO 70 -3.208 3.519 -7.661 534 H THR 71 H THR 71 -7.929 4.483 -10.411 535 HA THR 71 HA THR 71 -8.870 2.146 -11.404 536 HB THR 71 HB THR 71 -10.110 3.497 -13.141 537 HG1 THR 71 1HG THR 71 -8.463 5.524 -12.025 538 HG21 THR 71 1HG2 THR 71 -11.511 4.595 -11.543 539 HG22 THR 71 2HG2 THR 71 -10.195 4.692 -10.373 540 HG23 THR 71 3HG2 THR 71 -10.895 3.127 -10.786 541 H SER 72 H SER 72 -8.898 1.093 -13.428 542 HA SER 72 HA SER 72 -6.533 0.547 -14.636 543 HB2 SER 72 1HB SER 72 -7.799 -0.304 -16.557 544 HB3 SER 72 2HB SER 72 -8.605 -0.724 -15.046 545 HG SER 72 HG SER 72 -10.278 0.285 -15.788 546 H SER 73 H SER 73 -5.698 1.056 -16.799 547 HA SER 73 HA SER 73 -5.873 3.938 -17.293 548 HB2 SER 73 1HB SER 73 -3.636 2.876 -16.874 549 HB3 SER 73 2HB SER 73 -3.839 1.977 -18.377 550 HG SER 73 HG SER 73 -4.259 4.296 -19.201 551 H GLY 74 H GLY 74 -6.127 0.820 -18.938 552 HA2 GLY 74 1HA GLY 74 -6.435 1.694 -21.559 553 HA3 GLY 74 2HA GLY 74 -7.153 0.230 -20.905 554 HA PRO 75 HA PRO 75 -10.283 3.814 -21.696 555 HB2 PRO 75 1HB PRO 75 -10.887 3.447 -24.317 556 HB3 PRO 75 2HB PRO 75 -9.629 4.561 -23.768 557 HG2 PRO 75 1HG PRO 75 -9.360 1.775 -24.831 558 HG3 PRO 75 2HG PRO 75 -8.381 3.210 -25.191 559 HD2 PRO 75 1HD PRO 75 -7.574 1.293 -23.457 560 HD3 PRO 75 2HD PRO 75 -7.142 3.003 -23.259 561 H SER 76 H SER 76 -10.086 0.555 -23.055 562 HA SER 76 HA SER 76 -12.702 -0.075 -23.496 563 HB2 SER 76 1HB SER 76 -10.669 -1.870 -22.148 564 HB3 SER 76 2HB SER 76 -12.130 -2.405 -22.978 565 HG SER 76 HG SER 76 -10.357 -0.779 -24.390 566 H SER 77 H SER 77 -11.020 -0.392 -20.370 567 HA SER 77 HA SER 77 -12.954 -1.371 -18.760 568 HB2 SER 77 1HB SER 77 -10.647 -0.622 -18.063 569 HB3 SER 77 2HB SER 77 -11.281 1.021 -17.968 570 HG SER 77 HG SER 77 -12.128 -1.235 -16.469 571 H GLY 78 H GLY 78 -15.065 -0.890 -19.070 572 HA2 GLY 78 1HA GLY 78 -16.966 0.339 -18.468 573 HA3 GLY 78 2HA GLY 78 -15.947 1.748 -18.214 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -15.523 -18.340 -23.882 2 HA2 GLY 1 1HA GLY 1 -13.684 -18.003 -25.588 3 HA3 GLY 1 2HA GLY 1 -13.461 -17.094 -24.101 4 H SER 2 H SER 2 -11.334 -17.771 -25.757 5 HA SER 2 HA SER 2 -9.966 -20.105 -25.252 6 HB2 SER 2 1HB SER 2 -9.224 -18.380 -26.861 7 HB3 SER 2 2HB SER 2 -8.753 -17.342 -25.515 8 HG SER 2 HG SER 2 -6.911 -18.343 -25.736 9 H SER 3 H SER 3 -9.204 -21.027 -23.477 10 HA SER 3 HA SER 3 -9.024 -19.463 -21.021 11 HB2 SER 3 1HB SER 3 -9.173 -22.390 -21.651 12 HB3 SER 3 2HB SER 3 -8.536 -21.870 -20.091 13 HG SER 3 HG SER 3 -10.598 -20.518 -20.118 14 H GLY 4 H GLY 4 -7.120 -18.301 -21.318 15 HA2 GLY 4 1HA GLY 4 -4.715 -19.749 -20.672 16 HA3 GLY 4 2HA GLY 4 -4.700 -19.069 -22.293 17 H SER 5 H SER 5 -3.558 -18.527 -19.348 18 HA SER 5 HA SER 5 -4.215 -15.784 -18.915 19 HB2 SER 5 1HB SER 5 -2.555 -15.837 -17.170 20 HB3 SER 5 2HB SER 5 -3.430 -17.368 -17.129 21 HG SER 5 HG SER 5 -1.655 -18.210 -18.435 22 H SER 6 H SER 6 -2.678 -14.003 -18.997 23 HA SER 6 HA SER 6 -1.167 -14.068 -21.479 24 HB2 SER 6 1HB SER 6 -1.963 -11.832 -19.610 25 HB3 SER 6 2HB SER 6 -0.911 -11.583 -21.004 26 HG SER 6 HG SER 6 -2.711 -12.642 -22.212 27 H GLY 7 H GLY 7 -0.599 -13.290 -18.055 28 HA2 GLY 7 1HA GLY 7 1.372 -13.983 -16.905 29 HA3 GLY 7 2HA GLY 7 2.217 -14.027 -18.445 30 H THR 8 H THR 8 0.368 -11.580 -16.622 31 HA THR 8 HA THR 8 2.720 -9.828 -16.726 32 HB THR 8 HB THR 8 1.267 -7.887 -17.274 33 HG1 THR 8 1HG THR 8 -0.705 -9.240 -16.657 34 HG21 THR 8 1HG2 THR 8 1.088 -8.345 -19.652 35 HG22 THR 8 2HG2 THR 8 1.188 -10.079 -19.351 36 HG23 THR 8 3HG2 THR 8 2.577 -9.045 -19.020 37 H LEU 9 H LEU 9 2.712 -8.130 -15.142 38 HA LEU 9 HA LEU 9 0.839 -8.586 -12.915 39 HB2 LEU 9 1HB LEU 9 3.815 -8.342 -12.907 40 HB3 LEU 9 2HB LEU 9 2.893 -7.802 -11.506 41 HG LEU 9 HG LEU 9 2.612 -10.584 -12.605 42 HD11 LEU 9 1HD1 LEU 9 4.854 -10.681 -12.144 43 HD12 LEU 9 2HD1 LEU 9 4.180 -11.069 -10.562 44 HD13 LEU 9 3HD1 LEU 9 4.765 -9.439 -10.895 45 HD21 LEU 9 1HD2 LEU 9 2.130 -10.881 -10.062 46 HD22 LEU 9 2HD2 LEU 9 0.887 -10.216 -11.122 47 HD23 LEU 9 3HD2 LEU 9 1.847 -9.141 -10.105 48 H ARG 10 H ARG 10 1.340 -6.632 -11.235 49 HA ARG 10 HA ARG 10 0.156 -4.375 -12.288 50 HB2 ARG 10 1HB ARG 10 1.792 -4.890 -9.840 51 HB3 ARG 10 2HB ARG 10 1.375 -3.231 -10.246 52 HG2 ARG 10 1HG ARG 10 -0.370 -3.770 -8.883 53 HG3 ARG 10 2HG ARG 10 -1.045 -4.231 -10.447 54 HD2 ARG 10 1HD ARG 10 0.493 -6.268 -8.923 55 HD3 ARG 10 2HD ARG 10 -1.124 -5.852 -8.355 56 HE ARG 10 HE ARG 10 -0.450 -7.364 -10.694 57 HH11 ARG 10 2HH1 ARG 10 -2.834 -5.280 -9.247 58 HH12 ARG 10 1HH1 ARG 10 -4.141 -5.894 -10.204 59 HH21 ARG 10 2HH2 ARG 10 -2.163 -8.180 -11.960 60 HH22 ARG 10 1HH2 ARG 10 -3.759 -7.544 -11.746 61 H ASN 11 H ASN 11 1.204 -2.114 -12.211 62 HA ASN 11 HA ASN 11 3.683 -2.234 -13.793 63 HB2 ASN 11 1HB ASN 11 1.595 -1.292 -14.870 64 HB3 ASN 11 2HB ASN 11 1.695 0.040 -13.721 65 HD21 ASN 11 1HD2 ASN 11 1.808 1.276 -15.749 66 HD22 ASN 11 2HD2 ASN 11 3.359 1.523 -16.469 67 H TYR 12 H TYR 12 3.719 -2.308 -10.942 68 HA TYR 12 HA TYR 12 4.035 0.031 -9.571 69 HB2 TYR 12 1HB TYR 12 5.621 -2.529 -9.399 70 HB3 TYR 12 2HB TYR 12 5.845 -1.201 -8.266 71 HD1 TYR 12 2HD TYR 12 3.076 -0.295 -7.849 72 HD2 TYR 12 1HD TYR 12 4.652 -4.236 -8.147 73 HE1 TYR 12 2HE TYR 12 1.209 -1.139 -6.488 74 HE2 TYR 12 1HE TYR 12 2.789 -5.091 -6.788 75 HH TYR 12 HH TYR 12 0.385 -4.334 -6.277 76 HA PRO 13 HA PRO 13 5.590 0.737 -7.900 77 HB2 PRO 13 1HB PRO 13 6.054 3.392 -7.576 78 HB3 PRO 13 2HB PRO 13 7.303 2.163 -7.342 79 HG2 PRO 13 1HG PRO 13 6.792 3.916 -9.714 80 HG3 PRO 13 2HG PRO 13 8.334 3.487 -8.951 81 HD2 PRO 13 1HD PRO 13 7.443 2.289 -11.210 82 HD3 PRO 13 2HD PRO 13 8.429 1.438 -10.003 83 H LEU 14 H LEU 14 3.759 1.813 -6.983 84 HA LEU 14 HA LEU 14 2.087 3.320 -8.865 85 HB2 LEU 14 1HB LEU 14 1.421 0.774 -7.463 86 HB3 LEU 14 2HB LEU 14 0.146 1.957 -7.749 87 HG LEU 14 HG LEU 14 1.858 0.832 -9.955 88 HD11 LEU 14 1HD1 LEU 14 0.213 -0.713 -8.453 89 HD12 LEU 14 2HD1 LEU 14 0.566 -0.990 -10.159 90 HD13 LEU 14 3HD1 LEU 14 -0.901 -0.130 -9.691 91 HD21 LEU 14 1HD2 LEU 14 -0.912 1.902 -10.241 92 HD22 LEU 14 2HD2 LEU 14 0.403 1.851 -11.416 93 HD23 LEU 14 3HD2 LEU 14 0.441 3.025 -10.099 94 H THR 15 H THR 15 0.525 4.681 -7.889 95 HA THR 15 HA THR 15 1.131 5.311 -5.077 96 HB THR 15 HB THR 15 -0.167 7.179 -7.059 97 HG1 THR 15 1HG THR 15 2.138 8.077 -6.932 98 HG21 THR 15 1HG2 THR 15 -0.354 7.595 -4.572 99 HG22 THR 15 2HG2 THR 15 0.385 8.895 -5.507 100 HG23 THR 15 3HG2 THR 15 1.396 7.805 -4.559 101 H CYS 16 H CYS 16 -0.358 4.581 -3.714 102 HA CYS 16 HA CYS 16 -3.178 4.612 -4.564 103 HB2 CYS 16 1HB CYS 16 -3.363 2.886 -2.607 104 HB3 CYS 16 2HB CYS 16 -2.759 2.367 -4.176 105 HG CYS 16 HG CYS 16 -0.786 3.144 -1.489 106 H LYS 17 H LYS 17 -4.733 4.816 -2.694 107 HA LYS 17 HA LYS 17 -3.690 6.720 -0.701 108 HB2 LYS 17 1HB LYS 17 -5.065 7.814 -2.464 109 HB3 LYS 17 2HB LYS 17 -6.419 6.792 -2.001 110 HG2 LYS 17 1HG LYS 17 -6.749 7.896 -0.008 111 HG3 LYS 17 2HG LYS 17 -5.091 8.498 0.055 112 HD2 LYS 17 1HD LYS 17 -6.183 10.418 -0.539 113 HD3 LYS 17 2HD LYS 17 -5.840 9.762 -2.141 114 HE2 LYS 17 1HE LYS 17 -8.171 8.580 -1.767 115 HE3 LYS 17 2HE LYS 17 -8.416 9.927 -0.657 116 HZ1 LYS 17 1HZ LYS 17 -8.120 11.474 -2.401 117 HZ2 LYS 17 2HZ LYS 17 -9.195 10.306 -2.985 118 HZ3 LYS 17 3HZ LYS 17 -7.576 10.287 -3.477 119 H VAL 18 H VAL 18 -4.241 6.387 1.383 120 HA VAL 18 HA VAL 18 -5.504 3.897 2.072 121 HB VAL 18 HB VAL 18 -4.479 6.137 3.821 122 HG11 VAL 18 1HG1 VAL 18 -5.826 5.144 5.340 123 HG12 VAL 18 2HG1 VAL 18 -5.909 3.629 4.439 124 HG13 VAL 18 3HG1 VAL 18 -4.497 3.989 5.433 125 HG21 VAL 18 1HG2 VAL 18 -3.247 3.428 3.418 126 HG22 VAL 18 2HG2 VAL 18 -2.857 4.794 2.373 127 HG23 VAL 18 3HG2 VAL 18 -2.517 4.880 4.101 128 H VAL 19 H VAL 19 -7.657 3.818 1.779 129 HA VAL 19 HA VAL 19 -9.335 6.085 2.485 130 HB VAL 19 HB VAL 19 -11.184 4.414 1.760 131 HG11 VAL 19 1HG1 VAL 19 -11.130 5.353 -0.315 132 HG12 VAL 19 2HG1 VAL 19 -9.948 6.389 0.487 133 HG13 VAL 19 3HG1 VAL 19 -9.406 5.052 -0.528 134 HG21 VAL 19 1HG2 VAL 19 -9.361 2.538 1.854 135 HG22 VAL 19 2HG2 VAL 19 -10.608 2.508 0.607 136 HG23 VAL 19 3HG2 VAL 19 -8.991 3.099 0.223 137 H TYR 20 H TYR 20 -8.343 3.046 3.800 138 HA TYR 20 HA TYR 20 -10.214 3.435 6.043 139 HB2 TYR 20 1HB TYR 20 -9.423 0.929 4.601 140 HB3 TYR 20 2HB TYR 20 -9.885 0.851 6.297 141 HD1 TYR 20 2HD TYR 20 -11.106 2.140 3.015 142 HD2 TYR 20 1HD TYR 20 -12.126 0.615 6.854 143 HE1 TYR 20 2HE TYR 20 -13.476 2.093 2.360 144 HE2 TYR 20 1HE TYR 20 -14.499 0.563 6.210 145 HH TYR 20 HH TYR 20 -15.993 1.060 4.643 146 H SER 21 H SER 21 -9.237 3.844 7.902 147 HA SER 21 HA SER 21 -6.447 3.873 8.217 148 HB2 SER 21 1HB SER 21 -6.834 4.630 10.400 149 HB3 SER 21 2HB SER 21 -8.283 5.147 9.537 150 HG SER 21 HG SER 21 -7.974 2.934 11.273 151 H TYR 22 H TYR 22 -5.037 2.539 9.338 152 HA TYR 22 HA TYR 22 -6.018 0.026 10.425 153 HB2 TYR 22 1HB TYR 22 -5.697 -0.545 8.090 154 HB3 TYR 22 2HB TYR 22 -4.081 0.153 8.105 155 HD1 TYR 22 2HD TYR 22 -6.128 -2.552 9.636 156 HD2 TYR 22 1HD TYR 22 -2.232 -1.177 8.622 157 HE1 TYR 22 2HE TYR 22 -5.197 -4.738 10.272 158 HE2 TYR 22 1HE TYR 22 -1.290 -3.359 9.254 159 HH TYR 22 HH TYR 22 -2.476 -5.410 11.097 160 H LYS 23 H LYS 23 -5.103 -0.053 12.358 161 HA LYS 23 HA LYS 23 -2.564 1.243 12.868 162 HB2 LYS 23 1HB LYS 23 -4.235 1.519 14.555 163 HB3 LYS 23 2HB LYS 23 -4.529 -0.213 14.637 164 HG2 LYS 23 1HG LYS 23 -3.256 0.069 16.504 165 HG3 LYS 23 2HG LYS 23 -1.991 -0.278 15.322 166 HD2 LYS 23 1HD LYS 23 -1.355 1.970 15.173 167 HD3 LYS 23 2HD LYS 23 -2.861 2.536 15.899 168 HE2 LYS 23 1HE LYS 23 -2.204 1.627 18.045 169 HE3 LYS 23 2HE LYS 23 -0.744 0.938 17.336 170 HZ1 LYS 23 1HZ LYS 23 -0.864 3.328 18.544 171 HZ2 LYS 23 2HZ LYS 23 -1.059 3.781 16.926 172 HZ3 LYS 23 3HZ LYS 23 0.305 2.899 17.399 173 H ALA 24 H ALA 24 -0.787 0.190 12.248 174 HA ALA 24 HA ALA 24 -0.459 -2.484 11.720 175 HB1 ALA 24 1HB ALA 24 1.693 -0.719 12.874 176 HB2 ALA 24 2HB ALA 24 1.903 -2.128 11.834 177 HB3 ALA 24 3HB ALA 24 1.162 -0.661 11.193 178 H SER 25 H SER 25 -0.199 -4.303 12.869 179 HA SER 25 HA SER 25 -0.084 -4.051 15.799 180 HB2 SER 25 1HB SER 25 -2.094 -5.180 14.667 181 HB3 SER 25 2HB SER 25 -0.991 -6.505 14.298 182 HG SER 25 HG SER 25 -1.990 -5.644 16.763 183 H GLN 26 H GLN 26 1.528 -5.271 13.020 184 HA GLN 26 HA GLN 26 3.386 -6.800 14.714 185 HB2 GLN 26 1HB GLN 26 2.672 -7.029 11.799 186 HB3 GLN 26 2HB GLN 26 4.128 -7.765 12.455 187 HG2 GLN 26 1HG GLN 26 2.500 -8.838 14.167 188 HG3 GLN 26 2HG GLN 26 1.270 -8.444 12.968 189 HE21 GLN 26 1HE2 GLN 26 1.008 -10.792 12.937 190 HE22 GLN 26 2HE2 GLN 26 2.028 -11.728 11.904 191 HA PRO 27 HA PRO 27 6.630 -3.938 13.978 192 HB2 PRO 27 1HB PRO 27 8.786 -5.586 13.926 193 HB3 PRO 27 2HB PRO 27 7.908 -5.201 15.411 194 HG2 PRO 27 1HG PRO 27 7.705 -7.624 13.665 195 HG3 PRO 27 2HG PRO 27 7.746 -7.520 15.435 196 HD2 PRO 27 1HD PRO 27 5.445 -7.861 14.048 197 HD3 PRO 27 2HD PRO 27 5.513 -6.965 15.579 198 H ASP 28 H ASP 28 5.915 -6.416 11.731 199 HA ASP 28 HA ASP 28 7.747 -5.273 9.737 200 HB2 ASP 28 1HB ASP 28 6.153 -7.779 9.301 201 HB3 ASP 28 2HB ASP 28 7.690 -7.302 8.584 202 H GLU 29 H GLU 29 4.876 -4.512 10.764 203 HA GLU 29 HA GLU 29 3.532 -4.432 8.159 204 HB2 GLU 29 1HB GLU 29 2.620 -4.268 10.988 205 HB3 GLU 29 2HB GLU 29 1.686 -3.397 9.780 206 HG2 GLU 29 1HG GLU 29 1.379 -5.466 8.521 207 HG3 GLU 29 2HG GLU 29 2.315 -6.340 9.732 208 H LEU 30 H LEU 30 2.229 -2.350 7.797 209 HA LEU 30 HA LEU 30 3.940 -0.040 8.446 210 HB2 LEU 30 1HB LEU 30 3.701 -0.994 6.000 211 HB3 LEU 30 2HB LEU 30 2.205 -0.061 6.025 212 HG LEU 30 HG LEU 30 3.977 1.209 4.972 213 HD11 LEU 30 1HD1 LEU 30 3.850 3.231 6.302 214 HD12 LEU 30 2HD1 LEU 30 3.345 2.299 7.711 215 HD13 LEU 30 3HD1 LEU 30 2.293 2.403 6.300 216 HD21 LEU 30 1HD2 LEU 30 5.581 0.054 6.994 217 HD22 LEU 30 2HD2 LEU 30 5.638 1.804 7.210 218 HD23 LEU 30 3HD2 LEU 30 6.082 1.092 5.658 219 H THR 31 H THR 31 2.956 1.217 9.878 220 HA THR 31 HA THR 31 0.166 1.196 10.366 221 HB THR 31 HB THR 31 2.234 3.234 11.214 222 HG1 THR 31 1HG THR 31 1.124 1.230 12.864 223 HG21 THR 31 1HG2 THR 31 0.666 3.959 12.873 224 HG22 THR 31 2HG2 THR 31 -0.474 2.688 12.428 225 HG23 THR 31 3HG2 THR 31 -0.147 4.012 11.310 226 H ILE 32 H ILE 32 -1.345 2.040 9.102 227 HA ILE 32 HA ILE 32 -0.717 4.504 7.610 228 HB ILE 32 HB ILE 32 -2.412 3.815 5.960 229 HG12 ILE 32 1HG1 ILE 32 -2.477 1.255 7.573 230 HG13 ILE 32 2HG1 ILE 32 -3.799 2.402 7.385 231 HG21 ILE 32 1HG2 ILE 32 0.031 2.224 6.502 232 HG22 ILE 32 2HG2 ILE 32 -1.061 1.644 5.245 233 HG23 ILE 32 3HG2 ILE 32 -0.366 3.261 5.132 234 HD11 ILE 32 1HD1 ILE 32 -2.874 0.279 5.599 235 HD12 ILE 32 2HD1 ILE 32 -4.472 1.003 5.781 236 HD13 ILE 32 3HD1 ILE 32 -3.247 1.806 4.800 237 H GLU 33 H GLU 33 -2.872 5.643 6.947 238 HA GLU 33 HA GLU 33 -5.026 5.450 8.836 239 HB2 GLU 33 1HB GLU 33 -2.912 7.519 9.132 240 HB3 GLU 33 2HB GLU 33 -4.578 8.035 9.354 241 HG2 GLU 33 1HG GLU 33 -4.823 6.165 11.014 242 HG3 GLU 33 2HG GLU 33 -3.078 5.944 10.902 243 H GLU 34 H GLU 34 -6.873 6.418 8.099 244 HA GLU 34 HA GLU 34 -7.397 6.786 5.495 245 HB2 GLU 34 1HB GLU 34 -8.954 6.991 7.569 246 HB3 GLU 34 2HB GLU 34 -8.630 8.714 7.437 247 HG2 GLU 34 1HG GLU 34 -9.513 8.728 5.175 248 HG3 GLU 34 2HG GLU 34 -9.796 6.991 5.263 249 H HIS 35 H HIS 35 -7.329 8.389 3.953 250 HA HIS 35 HA HIS 35 -6.590 10.241 2.855 251 HB2 HIS 35 1HB HIS 35 -6.105 11.665 5.446 252 HB3 HIS 35 2HB HIS 35 -6.706 12.305 3.920 253 HD1 HIS 35 1HD HIS 35 -7.889 11.880 7.131 254 HD2 HIS 35 2HD HIS 35 -9.399 10.751 3.429 255 HE1 HIS 35 1HE HIS 35 -10.358 11.554 7.483 256 HE2 HIS 35 2HE HIS 35 -11.236 10.789 5.250 257 H GLU 36 H GLU 36 -4.748 8.260 3.297 258 HA GLU 36 HA GLU 36 -2.273 9.817 3.595 259 HB2 GLU 36 1HB GLU 36 -2.612 8.465 5.626 260 HB3 GLU 36 2HB GLU 36 -2.720 7.015 4.638 261 HG2 GLU 36 1HG GLU 36 -0.548 6.894 5.308 262 HG3 GLU 36 2HG GLU 36 -0.361 7.786 3.799 263 H VAL 37 H VAL 37 -1.636 9.945 1.521 264 HA VAL 37 HA VAL 37 -1.968 7.760 -0.324 265 HB VAL 37 HB VAL 37 -0.447 10.350 -0.657 266 HG11 VAL 37 1HG1 VAL 37 -0.166 9.865 -2.887 267 HG12 VAL 37 2HG1 VAL 37 0.015 8.262 -2.170 268 HG13 VAL 37 3HG1 VAL 37 -1.512 8.726 -2.921 269 HG21 VAL 37 1HG2 VAL 37 -3.132 10.081 -0.319 270 HG22 VAL 37 2HG2 VAL 37 -2.360 11.380 -1.229 271 HG23 VAL 37 3HG2 VAL 37 -2.987 9.964 -2.073 272 H LEU 38 H LEU 38 -0.602 6.135 -0.628 273 HA LEU 38 HA LEU 38 2.178 6.446 0.298 274 HB2 LEU 38 1HB LEU 38 0.701 3.841 0.048 275 HB3 LEU 38 2HB LEU 38 2.229 4.149 0.870 276 HG LEU 38 HG LEU 38 -0.224 5.515 1.867 277 HD11 LEU 38 1HD1 LEU 38 -0.836 3.613 3.218 278 HD12 LEU 38 2HD1 LEU 38 0.462 2.652 2.512 279 HD13 LEU 38 3HD1 LEU 38 -0.896 3.168 1.512 280 HD21 LEU 38 1HD2 LEU 38 1.284 6.128 3.379 281 HD22 LEU 38 2HD2 LEU 38 2.482 5.009 2.728 282 HD23 LEU 38 3HD2 LEU 38 1.317 4.453 3.931 283 H GLU 39 H GLU 39 3.525 4.513 -0.798 284 HA GLU 39 HA GLU 39 2.909 4.486 -3.671 285 HB2 GLU 39 1HB GLU 39 4.626 6.247 -3.055 286 HB3 GLU 39 2HB GLU 39 5.688 4.928 -2.584 287 HG2 GLU 39 1HG GLU 39 5.811 4.110 -4.797 288 HG3 GLU 39 2HG GLU 39 4.488 5.146 -5.327 289 H VAL 40 H VAL 40 2.560 2.409 -4.111 290 HA VAL 40 HA VAL 40 3.759 0.272 -2.641 291 HB VAL 40 HB VAL 40 2.282 0.116 -5.271 292 HG11 VAL 40 1HG1 VAL 40 3.071 -1.913 -3.206 293 HG12 VAL 40 2HG1 VAL 40 1.728 -2.194 -4.316 294 HG13 VAL 40 3HG1 VAL 40 3.356 -1.938 -4.946 295 HG21 VAL 40 1HG2 VAL 40 0.468 -0.668 -3.462 296 HG22 VAL 40 2HG2 VAL 40 1.352 0.511 -2.493 297 HG23 VAL 40 3HG2 VAL 40 0.613 0.999 -4.018 298 H ILE 41 H ILE 41 5.659 -0.672 -2.969 299 HA ILE 41 HA ILE 41 7.035 -0.192 -5.529 300 HB ILE 41 HB ILE 41 9.124 -0.788 -4.191 301 HG12 ILE 41 1HG1 ILE 41 7.223 -0.238 -1.902 302 HG13 ILE 41 2HG1 ILE 41 7.993 -1.780 -2.257 303 HG21 ILE 41 1HG2 ILE 41 9.434 1.468 -3.464 304 HG22 ILE 41 2HG2 ILE 41 8.450 1.499 -4.927 305 HG23 ILE 41 3HG2 ILE 41 7.693 1.725 -3.350 306 HD11 ILE 41 1HD1 ILE 41 9.115 0.668 -1.032 307 HD12 ILE 41 2HD1 ILE 41 9.390 -1.030 -0.641 308 HD13 ILE 41 3HD1 ILE 41 10.181 -0.309 -2.042 309 H GLU 42 H GLU 42 5.979 -2.601 -3.249 310 HA GLU 42 HA GLU 42 6.675 -4.683 -5.183 311 HB2 GLU 42 1HB GLU 42 7.660 -4.473 -2.384 312 HB3 GLU 42 2HB GLU 42 7.201 -6.068 -2.962 313 HG2 GLU 42 1HG GLU 42 9.174 -4.262 -4.339 314 HG3 GLU 42 2HG GLU 42 9.607 -5.556 -3.222 315 H ASP 43 H ASP 43 5.626 -6.818 -4.528 316 HA ASP 43 HA ASP 43 2.864 -6.238 -3.770 317 HB2 ASP 43 1HB ASP 43 2.694 -8.774 -4.537 318 HB3 ASP 43 2HB ASP 43 2.743 -7.461 -5.709 319 H GLY 44 H GLY 44 4.622 -6.158 -1.635 320 HA2 GLY 44 1HA GLY 44 5.091 -7.093 0.421 321 HA3 GLY 44 2HA GLY 44 3.422 -7.632 0.317 322 H ASP 45 H ASP 45 4.222 -9.427 1.641 323 HA ASP 45 HA ASP 45 5.524 -11.493 -0.012 324 HB2 ASP 45 1HB ASP 45 5.826 -10.791 2.880 325 HB3 ASP 45 2HB ASP 45 6.033 -12.469 2.386 326 H MET 46 H MET 46 2.610 -10.594 0.912 327 HA MET 46 HA MET 46 1.698 -13.327 1.529 328 HB2 MET 46 1HB MET 46 -0.008 -10.921 2.030 329 HB3 MET 46 2HB MET 46 -0.026 -12.484 2.834 330 HG2 MET 46 1HG MET 46 2.222 -10.512 3.118 331 HG3 MET 46 2HG MET 46 0.829 -10.560 4.195 332 HE1 MET 46 1HE MET 46 0.663 -12.852 6.235 333 HE2 MET 46 2HE MET 46 2.217 -12.350 6.902 334 HE3 MET 46 3HE MET 46 1.137 -11.153 6.186 335 H GLU 47 H GLU 47 -0.867 -13.326 0.920 336 HA GLU 47 HA GLU 47 -0.870 -12.903 -1.973 337 HB2 GLU 47 1HB GLU 47 -2.816 -14.409 -1.986 338 HB3 GLU 47 2HB GLU 47 -1.424 -15.146 -1.206 339 HG2 GLU 47 1HG GLU 47 -2.361 -14.712 0.973 340 HG3 GLU 47 2HG GLU 47 -3.716 -13.849 0.249 341 H ASP 48 H ASP 48 -2.071 -11.499 0.856 342 HA ASP 48 HA ASP 48 -3.967 -9.893 -0.719 343 HB2 ASP 48 1HB ASP 48 -4.944 -11.649 0.977 344 HB3 ASP 48 2HB ASP 48 -4.505 -10.435 2.175 345 H TRP 49 H TRP 49 -1.143 -9.512 0.161 346 HA TRP 49 HA TRP 49 -1.542 -6.891 1.407 347 HB2 TRP 49 1HB TRP 49 0.565 -8.870 2.303 348 HB3 TRP 49 2HB TRP 49 0.361 -7.229 2.910 349 HD1 TRP 49 HD TRP 49 -2.005 -10.307 2.584 350 HE1 TRP 49 1HE TRP 49 -3.309 -10.528 4.792 351 HE3 TRP 49 3HE TRP 49 -0.024 -6.321 5.097 352 HZ2 TRP 49 2HZ TRP 49 -3.476 -9.188 7.271 353 HZ3 TRP 49 3HZ TRP 49 -0.810 -5.859 7.383 354 HH2 TRP 49 HH TRP 49 -2.501 -7.264 8.445 355 H VAL 50 H VAL 50 0.268 -5.421 1.087 356 HA VAL 50 HA VAL 50 2.123 -6.185 -1.049 357 HB VAL 50 HB VAL 50 1.712 -4.035 -2.217 358 HG11 VAL 50 1HG1 VAL 50 0.500 -5.338 -3.544 359 HG12 VAL 50 2HG1 VAL 50 0.043 -6.361 -2.180 360 HG13 VAL 50 3HG1 VAL 50 -0.924 -4.941 -2.583 361 HG21 VAL 50 1HG2 VAL 50 0.395 -3.303 0.063 362 HG22 VAL 50 2HG2 VAL 50 0.289 -2.464 -1.485 363 HG23 VAL 50 3HG2 VAL 50 -0.938 -3.651 -1.039 364 H LYS 51 H LYS 51 3.760 -4.370 -1.419 365 HA LYS 51 HA LYS 51 4.573 -3.332 1.210 366 HB2 LYS 51 1HB LYS 51 6.011 -4.963 -0.301 367 HB3 LYS 51 2HB LYS 51 6.458 -3.463 -1.102 368 HG2 LYS 51 1HG LYS 51 7.334 -2.565 0.946 369 HG3 LYS 51 2HG LYS 51 6.752 -3.965 1.852 370 HD2 LYS 51 1HD LYS 51 8.226 -5.272 0.091 371 HD3 LYS 51 2HD LYS 51 9.067 -3.723 -0.005 372 HE2 LYS 51 1HE LYS 51 9.081 -3.858 2.585 373 HE3 LYS 51 2HE LYS 51 8.763 -5.574 2.329 374 HZ1 LYS 51 1HZ LYS 51 10.819 -5.008 0.627 375 HZ2 LYS 51 2HZ LYS 51 10.951 -5.785 2.123 376 HZ3 LYS 51 3HZ LYS 51 11.199 -4.116 2.014 377 H ALA 52 H ALA 52 4.334 -1.229 1.527 378 HA ALA 52 HA ALA 52 4.695 0.599 -0.748 379 HB1 ALA 52 1HB ALA 52 2.841 1.906 0.779 380 HB2 ALA 52 2HB ALA 52 2.491 0.983 -0.683 381 HB3 ALA 52 3HB ALA 52 2.311 0.228 0.900 382 H ARG 53 H ARG 53 5.375 2.736 -0.186 383 HA ARG 53 HA ARG 53 6.592 2.917 2.492 384 HB2 ARG 53 1HB ARG 53 8.285 2.577 0.740 385 HB3 ARG 53 2HB ARG 53 7.686 3.994 -0.112 386 HG2 ARG 53 1HG ARG 53 8.284 5.364 1.876 387 HG3 ARG 53 2HG ARG 53 9.025 3.926 2.581 388 HD2 ARG 53 1HD ARG 53 9.815 4.781 -0.165 389 HD3 ARG 53 2HD ARG 53 10.463 5.650 1.226 390 HE ARG 53 HE ARG 53 10.912 3.030 1.812 391 HH11 ARG 53 2HH1 ARG 53 11.694 5.100 -0.875 392 HH12 ARG 53 1HH1 ARG 53 13.153 4.253 -1.271 393 HH21 ARG 53 2HH2 ARG 53 12.830 1.907 1.301 394 HH22 ARG 53 1HH2 ARG 53 13.797 2.436 -0.033 395 H ASN 54 H ASN 54 5.958 4.589 3.683 396 HA ASN 54 HA ASN 54 4.206 6.582 2.539 397 HB2 ASN 54 1HB ASN 54 4.329 7.425 5.022 398 HB3 ASN 54 2HB ASN 54 3.439 5.956 4.633 399 HD21 ASN 54 1HD2 ASN 54 3.826 5.667 6.992 400 HD22 ASN 54 2HD2 ASN 54 5.275 4.854 7.466 401 H LYS 55 H LYS 55 4.562 8.913 3.456 402 HA LYS 55 HA LYS 55 6.729 10.044 2.156 403 HB2 LYS 55 1HB LYS 55 6.188 12.106 3.319 404 HB3 LYS 55 2HB LYS 55 4.707 11.286 2.841 405 HG2 LYS 55 1HG LYS 55 4.823 10.295 5.255 406 HG3 LYS 55 2HG LYS 55 5.856 11.694 5.558 407 HD2 LYS 55 1HD LYS 55 3.259 12.107 4.157 408 HD3 LYS 55 2HD LYS 55 3.247 11.825 5.900 409 HE2 LYS 55 1HE LYS 55 5.082 13.864 4.701 410 HE3 LYS 55 2HE LYS 55 3.388 14.254 4.997 411 HZ1 LYS 55 1HZ LYS 55 4.362 14.900 6.951 412 HZ2 LYS 55 2HZ LYS 55 5.524 13.672 6.927 413 HZ3 LYS 55 3HZ LYS 55 3.925 13.314 7.344 414 H VAL 56 H VAL 56 6.384 9.213 5.586 415 HA VAL 56 HA VAL 56 8.771 10.262 6.541 416 HB VAL 56 HB VAL 56 8.650 8.414 8.271 417 HG11 VAL 56 1HG1 VAL 56 6.468 10.366 7.696 418 HG12 VAL 56 2HG1 VAL 56 6.304 9.261 9.063 419 HG13 VAL 56 3HG1 VAL 56 7.673 10.372 8.983 420 HG21 VAL 56 1HG2 VAL 56 6.009 7.572 7.857 421 HG22 VAL 56 2HG2 VAL 56 6.834 7.351 6.313 422 HG23 VAL 56 3HG2 VAL 56 7.474 6.594 7.771 423 H GLY 57 H GLY 57 8.186 7.413 4.633 424 HA2 GLY 57 1HA GLY 57 9.948 6.485 3.297 425 HA3 GLY 57 2HA GLY 57 11.091 6.952 4.547 426 H GLN 58 H GLN 58 8.299 5.636 5.881 427 HA GLN 58 HA GLN 58 9.730 3.255 6.670 428 HB2 GLN 58 1HB GLN 58 7.193 4.593 7.465 429 HB3 GLN 58 2HB GLN 58 7.334 2.867 7.773 430 HG2 GLN 58 1HG GLN 58 9.519 3.393 8.936 431 HG3 GLN 58 2HG GLN 58 9.040 5.088 8.847 432 HE21 GLN 58 1HE2 GLN 58 9.059 5.129 11.138 433 HE22 GLN 58 2HE2 GLN 58 7.740 4.480 12.045 434 H VAL 59 H VAL 59 9.492 1.258 5.873 435 HA VAL 59 HA VAL 59 7.370 0.828 3.872 436 HB VAL 59 HB VAL 59 10.057 -0.546 4.015 437 HG11 VAL 59 1HG1 VAL 59 9.496 -1.634 2.009 438 HG12 VAL 59 2HG1 VAL 59 8.062 -1.787 3.026 439 HG13 VAL 59 3HG1 VAL 59 8.103 -0.589 1.733 440 HG21 VAL 59 1HG2 VAL 59 9.108 1.874 2.578 441 HG22 VAL 59 2HG2 VAL 59 10.695 1.510 3.256 442 HG23 VAL 59 3HG2 VAL 59 10.201 0.783 1.727 443 H GLY 60 H GLY 60 5.901 -0.681 4.311 444 HA2 GLY 60 1HA GLY 60 6.621 -2.991 5.943 445 HA3 GLY 60 2HA GLY 60 5.366 -1.939 6.582 446 H TYR 61 H TYR 61 4.227 -4.101 6.422 447 HA TYR 61 HA TYR 61 3.199 -4.577 3.711 448 HB2 TYR 61 1HB TYR 61 3.027 -6.319 6.179 449 HB3 TYR 61 2HB TYR 61 2.406 -6.740 4.587 450 HD1 TYR 61 2HD TYR 61 4.645 -5.780 2.877 451 HD2 TYR 61 1HD TYR 61 4.685 -7.928 6.549 452 HE1 TYR 61 2HE TYR 61 6.826 -6.748 2.280 453 HE2 TYR 61 1HE TYR 61 6.866 -8.901 5.963 454 HH TYR 61 HH TYR 61 8.639 -7.858 3.118 455 H VAL 62 H VAL 62 1.141 -4.150 3.200 456 HA VAL 62 HA VAL 62 -0.805 -3.698 5.348 457 HB VAL 62 HB VAL 62 -1.665 -1.687 4.231 458 HG11 VAL 62 1HG1 VAL 62 0.730 -1.920 5.710 459 HG12 VAL 62 2HG1 VAL 62 0.985 -0.664 4.497 460 HG13 VAL 62 3HG1 VAL 62 -0.368 -0.543 5.622 461 HG21 VAL 62 1HG2 VAL 62 -0.349 -2.550 2.026 462 HG22 VAL 62 2HG2 VAL 62 -0.938 -0.902 2.249 463 HG23 VAL 62 3HG2 VAL 62 0.747 -1.291 2.597 464 HA PRO 63 HA PRO 63 -3.482 -6.068 2.787 465 HB2 PRO 63 1HB PRO 63 -5.884 -5.178 3.688 466 HB3 PRO 63 2HB PRO 63 -4.844 -6.254 4.629 467 HG2 PRO 63 1HG PRO 63 -5.185 -3.287 4.839 468 HG3 PRO 63 2HG PRO 63 -5.074 -4.495 6.132 469 HD2 PRO 63 1HD PRO 63 -2.976 -2.949 5.398 470 HD3 PRO 63 2HD PRO 63 -2.776 -4.607 6.002 471 H GLU 64 H GLU 64 -3.339 -5.464 0.677 472 HA GLU 64 HA GLU 64 -3.710 -3.072 -0.532 473 HB2 GLU 64 1HB GLU 64 -3.210 -5.460 -1.510 474 HB3 GLU 64 2HB GLU 64 -4.937 -5.468 -1.839 475 HG2 GLU 64 1HG GLU 64 -4.383 -3.111 -2.894 476 HG3 GLU 64 2HG GLU 64 -2.781 -3.832 -3.047 477 H LYS 65 H LYS 65 -6.265 -5.335 0.396 478 HA LYS 65 HA LYS 65 -8.490 -4.310 -0.747 479 HB2 LYS 65 1HB LYS 65 -8.139 -5.230 2.108 480 HB3 LYS 65 2HB LYS 65 -9.709 -4.912 1.380 481 HG2 LYS 65 1HG LYS 65 -8.972 -6.596 -0.422 482 HG3 LYS 65 2HG LYS 65 -7.747 -7.081 0.752 483 HD2 LYS 65 1HD LYS 65 -10.717 -7.008 1.282 484 HD3 LYS 65 2HD LYS 65 -9.801 -8.458 0.866 485 HE2 LYS 65 1HE LYS 65 -9.279 -6.712 3.269 486 HE3 LYS 65 2HE LYS 65 -10.198 -8.216 3.297 487 HZ1 LYS 65 1HZ LYS 65 -8.192 -9.062 3.817 488 HZ2 LYS 65 2HZ LYS 65 -7.329 -7.799 3.095 489 HZ3 LYS 65 3HZ LYS 65 -7.961 -9.045 2.141 490 H TYR 66 H TYR 66 -6.865 -2.992 2.115 491 HA TYR 66 HA TYR 66 -8.736 -0.846 2.432 492 HB2 TYR 66 1HB TYR 66 -6.039 -1.439 3.641 493 HB3 TYR 66 2HB TYR 66 -6.924 0.038 4.005 494 HD1 TYR 66 1HD TYR 66 -7.888 -3.566 3.699 495 HD2 TYR 66 2HD TYR 66 -7.884 -0.051 6.095 496 HE1 TYR 66 1HE TYR 66 -9.149 -4.760 5.441 497 HE2 TYR 66 2HE TYR 66 -9.144 -1.234 7.844 498 HH TYR 66 HH TYR 66 -9.740 -4.673 7.672 499 H LEU 67 H LEU 67 -5.808 -1.344 0.645 500 HA LEU 67 HA LEU 67 -5.236 1.431 0.212 501 HB2 LEU 67 1HB LEU 67 -4.276 -1.040 -1.222 502 HB3 LEU 67 2HB LEU 67 -3.648 0.586 -1.484 503 HG LEU 67 HG LEU 67 -3.433 -1.026 1.058 504 HD11 LEU 67 1HD1 LEU 67 -1.956 -1.282 -1.218 505 HD12 LEU 67 2HD1 LEU 67 -1.391 -1.668 0.407 506 HD13 LEU 67 3HD1 LEU 67 -1.017 -0.099 -0.306 507 HD21 LEU 67 1HD2 LEU 67 -3.307 0.993 2.021 508 HD22 LEU 67 2HD2 LEU 67 -3.082 1.824 0.482 509 HD23 LEU 67 3HD2 LEU 67 -1.705 1.069 1.287 510 H GLN 68 H GLN 68 -5.642 2.677 -1.591 511 HA GLN 68 HA GLN 68 -7.698 1.616 -3.411 512 HB2 GLN 68 1HB GLN 68 -8.296 3.564 -1.910 513 HB3 GLN 68 2HB GLN 68 -7.142 4.523 -2.827 514 HG2 GLN 68 1HG GLN 68 -8.461 3.906 -4.889 515 HG3 GLN 68 2HG GLN 68 -9.690 3.268 -3.797 516 HE21 GLN 68 1HE2 GLN 68 -7.661 6.182 -3.916 517 HE22 GLN 68 2HE2 GLN 68 -8.959 7.300 -3.688 518 H PHE 69 H PHE 69 -6.316 0.751 -4.955 519 HA PHE 69 HA PHE 69 -4.093 2.079 -6.057 520 HB2 PHE 69 1HB PHE 69 -5.809 -0.218 -6.935 521 HB3 PHE 69 2HB PHE 69 -4.611 0.448 -8.040 522 HD1 PHE 69 1HD PHE 69 -4.371 0.053 -4.359 523 HD2 PHE 69 2HD PHE 69 -3.019 -1.244 -8.181 524 HE1 PHE 69 1HE PHE 69 -2.626 -1.304 -3.278 525 HE2 PHE 69 2HE PHE 69 -1.273 -2.603 -7.106 526 HZ PHE 69 HZ PHE 69 -1.075 -2.635 -4.651 527 HA PRO 70 HA PRO 70 -5.785 5.003 -8.856 528 HB2 PRO 70 1HB PRO 70 -3.997 4.894 -10.896 529 HB3 PRO 70 2HB PRO 70 -3.625 5.626 -9.331 530 HG2 PRO 70 1HG PRO 70 -2.928 2.903 -10.362 531 HG3 PRO 70 2HG PRO 70 -1.922 4.048 -9.455 532 HD2 PRO 70 1HD PRO 70 -3.135 1.930 -8.284 533 HD3 PRO 70 2HD PRO 70 -2.858 3.462 -7.432 534 H THR 71 H THR 71 -7.073 5.200 -10.670 535 HA THR 71 HA THR 71 -7.758 2.674 -11.999 536 HB THR 71 HB THR 71 -9.827 3.921 -12.730 537 HG1 THR 71 1HG THR 71 -8.693 6.031 -12.167 538 HG21 THR 71 1HG2 THR 71 -10.553 2.670 -11.017 539 HG22 THR 71 2HG2 THR 71 -10.464 4.148 -10.059 540 HG23 THR 71 3HG2 THR 71 -9.117 3.009 -10.052 541 H SER 72 H SER 72 -8.659 3.053 -14.310 542 HA SER 72 HA SER 72 -7.436 5.149 -15.837 543 HB2 SER 72 1HB SER 72 -5.551 3.493 -15.412 544 HB3 SER 72 2HB SER 72 -6.454 2.349 -16.405 545 HG SER 72 HG SER 72 -6.340 3.877 -18.112 546 H SER 73 H SER 73 -8.503 5.470 -17.712 547 HA SER 73 HA SER 73 -10.328 3.351 -18.634 548 HB2 SER 73 1HB SER 73 -11.421 5.307 -17.358 549 HB3 SER 73 2HB SER 73 -11.040 6.275 -18.783 550 HG SER 73 HG SER 73 -12.699 5.416 -19.722 551 H GLY 74 H GLY 74 -10.389 2.990 -20.789 552 HA2 GLY 74 1HA GLY 74 -8.313 3.852 -22.438 553 HA3 GLY 74 2HA GLY 74 -9.803 3.112 -23.005 554 HA PRO 75 HA PRO 75 -9.468 7.840 -23.869 555 HB2 PRO 75 1HB PRO 75 -8.178 7.852 -26.258 556 HB3 PRO 75 2HB PRO 75 -7.336 7.998 -24.710 557 HG2 PRO 75 1HG PRO 75 -7.702 5.588 -26.448 558 HG3 PRO 75 2HG PRO 75 -6.252 6.137 -25.588 559 HD2 PRO 75 1HD PRO 75 -7.843 4.159 -24.646 560 HD3 PRO 75 2HD PRO 75 -6.964 5.269 -23.575 561 H SER 76 H SER 76 -9.679 5.253 -26.313 562 HA SER 76 HA SER 76 -11.630 6.627 -27.879 563 HB2 SER 76 1HB SER 76 -9.986 4.815 -28.663 564 HB3 SER 76 2HB SER 76 -11.118 3.656 -27.965 565 HG SER 76 HG SER 76 -12.734 4.590 -29.339 566 H SER 77 H SER 77 -13.797 6.566 -27.788 567 HA SER 77 HA SER 77 -15.056 4.657 -25.934 568 HB2 SER 77 1HB SER 77 -14.967 6.851 -24.851 569 HB3 SER 77 2HB SER 77 -15.745 7.590 -26.250 570 HG SER 77 HG SER 77 -17.000 5.451 -24.932 571 H GLY 78 H GLY 78 -16.382 3.370 -27.020 572 HA2 GLY 78 1HA GLY 78 -18.640 3.829 -28.309 573 HA3 GLY 78 2HA GLY 78 -17.496 4.265 -29.569 Start of MODEL 4 1 H1 GLY 1 H GLY 1 17.429 -19.594 -12.809 2 HA2 GLY 1 1HA GLY 1 16.904 -21.071 -15.097 3 HA3 GLY 1 2HA GLY 1 15.844 -20.998 -13.697 4 H SER 2 H SER 2 13.850 -20.750 -14.482 5 HA SER 2 HA SER 2 13.388 -18.510 -16.335 6 HB2 SER 2 1HB SER 2 11.562 -19.862 -17.372 7 HB3 SER 2 2HB SER 2 13.167 -20.550 -17.623 8 HG SER 2 HG SER 2 11.040 -21.488 -16.093 9 H SER 3 H SER 3 11.589 -17.264 -15.967 10 HA SER 3 HA SER 3 10.319 -17.643 -13.362 11 HB2 SER 3 1HB SER 3 9.529 -15.301 -13.682 12 HB3 SER 3 2HB SER 3 11.284 -15.450 -13.751 13 HG SER 3 HG SER 3 9.468 -14.813 -15.755 14 H GLY 4 H GLY 4 7.953 -16.863 -13.278 15 HA2 GLY 4 1HA GLY 4 6.484 -17.848 -15.638 16 HA3 GLY 4 2HA GLY 4 6.095 -18.444 -14.031 17 H SER 5 H SER 5 3.937 -17.602 -14.792 18 HA SER 5 HA SER 5 3.682 -14.781 -13.987 19 HB2 SER 5 1HB SER 5 1.931 -14.452 -15.632 20 HB3 SER 5 2HB SER 5 3.369 -15.066 -16.447 21 HG SER 5 HG SER 5 0.955 -16.392 -15.859 22 H SER 6 H SER 6 2.724 -14.781 -12.066 23 HA SER 6 HA SER 6 1.239 -16.857 -10.953 24 HB2 SER 6 1HB SER 6 0.456 -15.136 -9.307 25 HB3 SER 6 2HB SER 6 2.204 -15.150 -9.542 26 HG SER 6 HG SER 6 1.575 -13.452 -11.245 27 H GLY 7 H GLY 7 0.048 -13.805 -12.369 28 HA2 GLY 7 1HA GLY 7 -2.214 -15.085 -13.547 29 HA3 GLY 7 2HA GLY 7 -2.666 -14.214 -12.089 30 H THR 8 H THR 8 -1.005 -12.007 -12.257 31 HA THR 8 HA THR 8 -1.639 -10.768 -14.839 32 HB THR 8 HB THR 8 -2.470 -8.734 -13.721 33 HG1 THR 8 1HG THR 8 -1.640 -8.812 -11.687 34 HG21 THR 8 1HG2 THR 8 -3.884 -10.933 -14.301 35 HG22 THR 8 2HG2 THR 8 -4.616 -9.482 -13.618 36 HG23 THR 8 3HG2 THR 8 -4.207 -10.840 -12.571 37 H LEU 9 H LEU 9 -0.615 -8.523 -14.966 38 HA LEU 9 HA LEU 9 2.010 -8.573 -13.626 39 HB2 LEU 9 1HB LEU 9 1.289 -7.791 -16.439 40 HB3 LEU 9 2HB LEU 9 2.827 -7.364 -15.692 41 HG LEU 9 HG LEU 9 2.932 -9.988 -15.298 42 HD11 LEU 9 1HD1 LEU 9 0.591 -9.843 -16.706 43 HD12 LEU 9 2HD1 LEU 9 1.612 -11.272 -16.560 44 HD13 LEU 9 3HD1 LEU 9 1.770 -10.216 -17.964 45 HD21 LEU 9 1HD2 LEU 9 3.757 -9.808 -17.936 46 HD22 LEU 9 2HD2 LEU 9 4.730 -9.467 -16.505 47 HD23 LEU 9 3HD2 LEU 9 3.886 -8.156 -17.331 48 H ARG 10 H ARG 10 2.050 -7.015 -12.148 49 HA ARG 10 HA ARG 10 0.417 -4.665 -12.339 50 HB2 ARG 10 1HB ARG 10 2.543 -5.540 -10.386 51 HB3 ARG 10 2HB ARG 10 1.703 -4.001 -10.251 52 HG2 ARG 10 1HG ARG 10 0.066 -6.465 -10.482 53 HG3 ARG 10 2HG ARG 10 0.894 -6.148 -8.956 54 HD2 ARG 10 1HD ARG 10 -1.119 -5.091 -8.605 55 HD3 ARG 10 2HD ARG 10 -0.136 -3.765 -9.225 56 HE ARG 10 HE ARG 10 -1.271 -4.741 -11.460 57 HH11 ARG 10 2HH1 ARG 10 -2.579 -3.818 -8.369 58 HH12 ARG 10 1HH1 ARG 10 -4.114 -3.339 -9.015 59 HH21 ARG 10 2HH2 ARG 10 -3.287 -4.114 -12.323 60 HH22 ARG 10 1HH2 ARG 10 -4.516 -3.509 -11.264 61 H ASN 11 H ASN 11 1.215 -2.476 -12.316 62 HA ASN 11 HA ASN 11 3.734 -2.192 -13.816 63 HB2 ASN 11 1HB ASN 11 1.123 -0.725 -13.967 64 HB3 ASN 11 2HB ASN 11 2.608 0.085 -14.456 65 HD21 ASN 11 1HD2 ASN 11 0.296 -0.680 -16.046 66 HD22 ASN 11 2HD2 ASN 11 0.893 -1.712 -17.297 67 H TYR 12 H TYR 12 4.270 -2.361 -11.278 68 HA TYR 12 HA TYR 12 3.975 -0.005 -9.735 69 HB2 TYR 12 1HB TYR 12 5.878 -2.339 -9.537 70 HB3 TYR 12 2HB TYR 12 5.865 -1.019 -8.373 71 HD1 TYR 12 2HD TYR 12 2.970 -0.520 -8.090 72 HD2 TYR 12 1HD TYR 12 5.113 -4.187 -8.341 73 HE1 TYR 12 2HE TYR 12 1.181 -1.645 -6.831 74 HE2 TYR 12 1HE TYR 12 3.330 -5.323 -7.084 75 HH TYR 12 HH TYR 12 0.311 -4.064 -6.634 76 HA PRO 13 HA PRO 13 5.372 0.872 -8.012 77 HB2 PRO 13 1HB PRO 13 5.490 3.560 -7.655 78 HB3 PRO 13 2HB PRO 13 6.874 2.494 -7.387 79 HG2 PRO 13 1HG PRO 13 6.226 4.195 -9.763 80 HG3 PRO 13 2HG PRO 13 7.784 3.953 -8.952 81 HD2 PRO 13 1HD PRO 13 7.124 2.678 -11.247 82 HD3 PRO 13 2HD PRO 13 8.168 1.944 -10.013 83 H LEU 14 H LEU 14 3.453 1.951 -7.095 84 HA LEU 14 HA LEU 14 1.662 3.216 -9.012 85 HB2 LEU 14 1HB LEU 14 1.091 0.610 -7.625 86 HB3 LEU 14 2HB LEU 14 -0.179 1.637 -8.286 87 HG LEU 14 HG LEU 14 2.064 0.543 -9.968 88 HD11 LEU 14 1HD1 LEU 14 1.144 -1.462 -9.459 89 HD12 LEU 14 2HD1 LEU 14 -0.008 -0.969 -10.699 90 HD13 LEU 14 3HD1 LEU 14 -0.406 -0.761 -8.994 91 HD21 LEU 14 1HD2 LEU 14 -0.687 1.363 -10.837 92 HD22 LEU 14 2HD2 LEU 14 0.779 1.195 -11.804 93 HD23 LEU 14 3HD2 LEU 14 0.617 2.540 -10.674 94 H THR 15 H THR 15 0.979 4.984 -8.018 95 HA THR 15 HA THR 15 1.062 5.305 -5.187 96 HB THR 15 HB THR 15 -0.517 7.155 -6.929 97 HG1 THR 15 1HG THR 15 2.212 6.570 -7.140 98 HG21 THR 15 1HG2 THR 15 -0.292 7.584 -4.511 99 HG22 THR 15 2HG2 THR 15 0.466 8.847 -5.481 100 HG23 THR 15 3HG2 THR 15 1.461 7.622 -4.695 101 H CYS 16 H CYS 16 -0.466 4.953 -3.703 102 HA CYS 16 HA CYS 16 -3.227 4.498 -4.623 103 HB2 CYS 16 1HB CYS 16 -3.341 2.851 -2.646 104 HB3 CYS 16 2HB CYS 16 -2.499 2.330 -4.101 105 HG CYS 16 HG CYS 16 -0.259 3.740 -2.236 106 H LYS 17 H LYS 17 -4.837 4.690 -2.815 107 HA LYS 17 HA LYS 17 -4.007 6.771 -0.900 108 HB2 LYS 17 1HB LYS 17 -5.377 7.706 -2.731 109 HB3 LYS 17 2HB LYS 17 -6.663 6.573 -2.333 110 HG2 LYS 17 1HG LYS 17 -7.275 7.708 -0.452 111 HG3 LYS 17 2HG LYS 17 -5.658 8.363 -0.186 112 HD2 LYS 17 1HD LYS 17 -5.976 10.106 -1.645 113 HD3 LYS 17 2HD LYS 17 -7.161 9.223 -2.610 114 HE2 LYS 17 1HE LYS 17 -7.658 10.239 0.185 115 HE3 LYS 17 2HE LYS 17 -8.115 11.105 -1.280 116 HZ1 LYS 17 1HZ LYS 17 -9.085 8.413 -0.485 117 HZ2 LYS 17 2HZ LYS 17 -9.515 9.231 -1.902 118 HZ3 LYS 17 3HZ LYS 17 -9.972 9.851 -0.396 119 H VAL 18 H VAL 18 -4.510 6.426 1.179 120 HA VAL 18 HA VAL 18 -5.691 3.919 1.935 121 HB VAL 18 HB VAL 18 -4.771 6.246 3.627 122 HG11 VAL 18 1HG1 VAL 18 -6.491 4.240 4.391 123 HG12 VAL 18 2HG1 VAL 18 -4.914 3.630 4.896 124 HG13 VAL 18 3HG1 VAL 18 -5.478 5.200 5.469 125 HG21 VAL 18 1HG2 VAL 18 -3.118 4.072 4.062 126 HG22 VAL 18 2HG2 VAL 18 -3.398 4.047 2.321 127 HG23 VAL 18 3HG2 VAL 18 -2.741 5.493 3.088 128 H VAL 19 H VAL 19 -7.839 3.770 1.589 129 HA VAL 19 HA VAL 19 -9.614 5.980 2.178 130 HB VAL 19 HB VAL 19 -11.395 4.211 1.581 131 HG11 VAL 19 1HG1 VAL 19 -10.270 4.352 -0.926 132 HG12 VAL 19 2HG1 VAL 19 -11.293 5.582 -0.181 133 HG13 VAL 19 3HG1 VAL 19 -9.537 5.716 -0.083 134 HG21 VAL 19 1HG2 VAL 19 -10.779 2.200 0.679 135 HG22 VAL 19 2HG2 VAL 19 -9.192 2.783 0.178 136 HG23 VAL 19 3HG2 VAL 19 -9.497 2.403 1.873 137 H TYR 20 H TYR 20 -8.456 3.136 3.746 138 HA TYR 20 HA TYR 20 -10.205 3.714 6.030 139 HB2 TYR 20 1HB TYR 20 -9.801 1.057 4.682 140 HB3 TYR 20 2HB TYR 20 -10.233 1.147 6.386 141 HD1 TYR 20 2HD TYR 20 -11.381 1.748 2.955 142 HD2 TYR 20 1HD TYR 20 -12.437 1.873 7.075 143 HE1 TYR 20 2HE TYR 20 -13.751 1.970 2.335 144 HE2 TYR 20 1HE TYR 20 -14.809 2.094 6.466 145 HH TYR 20 HH TYR 20 -16.271 1.541 4.527 146 H SER 21 H SER 21 -8.959 4.200 7.698 147 HA SER 21 HA SER 21 -6.196 3.805 7.817 148 HB2 SER 21 1HB SER 21 -6.329 4.572 10.104 149 HB3 SER 21 2HB SER 21 -7.490 5.490 9.146 150 HG SER 21 HG SER 21 -9.014 3.744 9.892 151 H TYR 22 H TYR 22 -4.896 2.365 8.950 152 HA TYR 22 HA TYR 22 -6.153 0.064 10.229 153 HB2 TYR 22 1HB TYR 22 -5.947 -0.664 7.926 154 HB3 TYR 22 2HB TYR 22 -4.261 -0.158 7.879 155 HD1 TYR 22 2HD TYR 22 -6.607 -2.701 9.080 156 HD2 TYR 22 1HD TYR 22 -2.532 -1.488 8.945 157 HE1 TYR 22 2HE TYR 22 -5.921 -4.945 9.818 158 HE2 TYR 22 1HE TYR 22 -1.834 -3.729 9.681 159 HH TYR 22 HH TYR 22 -3.344 -5.732 11.160 160 H LYS 23 H LYS 23 -5.188 -0.167 12.122 161 HA LYS 23 HA LYS 23 -2.589 0.973 12.628 162 HB2 LYS 23 1HB LYS 23 -4.748 -0.259 14.261 163 HB3 LYS 23 2HB LYS 23 -3.118 -0.296 14.920 164 HG2 LYS 23 1HG LYS 23 -4.415 2.232 13.945 165 HG3 LYS 23 2HG LYS 23 -4.567 1.652 15.605 166 HD2 LYS 23 1HD LYS 23 -1.867 1.949 14.346 167 HD3 LYS 23 2HD LYS 23 -2.698 3.354 15.017 168 HE2 LYS 23 1HE LYS 23 -2.232 0.814 16.564 169 HE3 LYS 23 2HE LYS 23 -1.105 2.170 16.574 170 HZ1 LYS 23 1HZ LYS 23 -3.873 2.832 17.138 171 HZ2 LYS 23 2HZ LYS 23 -2.455 3.392 17.868 172 HZ3 LYS 23 3HZ LYS 23 -3.100 1.893 18.314 173 H ALA 24 H ALA 24 -0.699 -0.045 12.529 174 HA ALA 24 HA ALA 24 -0.599 -2.834 11.814 175 HB1 ALA 24 1HB ALA 24 1.758 -2.502 11.509 176 HB2 ALA 24 2HB ALA 24 0.902 -1.125 10.813 177 HB3 ALA 24 3HB ALA 24 1.699 -0.968 12.378 178 H SER 25 H SER 25 -0.655 -4.413 13.260 179 HA SER 25 HA SER 25 0.003 -3.897 16.037 180 HB2 SER 25 1HB SER 25 -0.817 -6.212 16.406 181 HB3 SER 25 2HB SER 25 -1.993 -5.210 15.556 182 HG SER 25 HG SER 25 -0.495 -7.374 14.639 183 H GLN 26 H GLN 26 1.319 -5.603 13.283 184 HA GLN 26 HA GLN 26 3.474 -6.709 14.928 185 HB2 GLN 26 1HB GLN 26 2.476 -7.272 12.154 186 HB3 GLN 26 2HB GLN 26 4.090 -7.776 12.638 187 HG2 GLN 26 1HG GLN 26 1.610 -8.532 14.155 188 HG3 GLN 26 2HG GLN 26 2.285 -9.507 12.851 189 HE21 GLN 26 1HE2 GLN 26 3.929 -10.847 13.278 190 HE22 GLN 26 2HE2 GLN 26 4.729 -10.974 14.804 191 HA PRO 27 HA PRO 27 6.470 -3.763 13.669 192 HB2 PRO 27 1HB PRO 27 8.706 -5.295 13.517 193 HB3 PRO 27 2HB PRO 27 7.951 -4.847 15.051 194 HG2 PRO 27 1HG PRO 27 7.727 -7.400 13.505 195 HG3 PRO 27 2HG PRO 27 7.929 -7.164 15.251 196 HD2 PRO 27 1HD PRO 27 5.532 -7.726 14.125 197 HD3 PRO 27 2HD PRO 27 5.692 -6.717 15.577 198 H ASP 28 H ASP 28 6.145 -6.691 11.762 199 HA ASP 28 HA ASP 28 7.685 -5.718 9.545 200 HB2 ASP 28 1HB ASP 28 7.057 -7.733 8.426 201 HB3 ASP 28 2HB ASP 28 7.345 -8.153 10.113 202 H GLU 29 H GLU 29 4.549 -5.161 10.683 203 HA GLU 29 HA GLU 29 3.352 -4.654 8.101 204 HB2 GLU 29 1HB GLU 29 2.450 -4.571 10.934 205 HB3 GLU 29 2HB GLU 29 1.586 -3.562 9.782 206 HG2 GLU 29 1HG GLU 29 0.597 -5.819 10.166 207 HG3 GLU 29 2HG GLU 29 0.949 -5.436 8.482 208 H LEU 30 H LEU 30 2.142 -2.455 7.921 209 HA LEU 30 HA LEU 30 3.980 -0.292 8.708 210 HB2 LEU 30 1HB LEU 30 3.873 -1.136 6.209 211 HB3 LEU 30 2HB LEU 30 2.440 -0.111 6.167 212 HG LEU 30 HG LEU 30 4.523 0.970 5.322 213 HD11 LEU 30 1HD1 LEU 30 2.875 2.052 7.551 214 HD12 LEU 30 2HD1 LEU 30 2.948 2.540 5.858 215 HD13 LEU 30 3HD1 LEU 30 4.243 2.999 6.964 216 HD21 LEU 30 1HD2 LEU 30 5.411 1.228 8.163 217 HD22 LEU 30 2HD2 LEU 30 6.332 1.445 6.675 218 HD23 LEU 30 3HD2 LEU 30 5.892 -0.177 7.212 219 H THR 31 H THR 31 2.938 0.905 10.156 220 HA THR 31 HA THR 31 0.146 1.029 10.462 221 HB THR 31 HB THR 31 2.242 2.977 11.439 222 HG1 THR 31 1HG THR 31 2.431 1.658 13.141 223 HG21 THR 31 1HG2 THR 31 -0.626 2.574 12.296 224 HG22 THR 31 2HG2 THR 31 0.040 3.996 11.494 225 HG23 THR 31 3HG2 THR 31 0.548 3.588 13.132 226 H ILE 32 H ILE 32 -1.192 1.830 8.976 227 HA ILE 32 HA ILE 32 -0.398 4.246 7.503 228 HB ILE 32 HB ILE 32 -2.155 3.680 5.899 229 HG12 ILE 32 1HG1 ILE 32 -2.571 1.208 7.593 230 HG13 ILE 32 2HG1 ILE 32 -3.688 2.564 7.485 231 HG21 ILE 32 1HG2 ILE 32 -1.154 1.341 5.258 232 HG22 ILE 32 2HG2 ILE 32 -0.167 2.798 5.172 233 HG23 ILE 32 3HG2 ILE 32 -0.016 1.713 6.553 234 HD11 ILE 32 1HD1 ILE 32 -3.597 2.011 4.922 235 HD12 ILE 32 2HD1 ILE 32 -3.101 0.424 5.514 236 HD13 ILE 32 3HD1 ILE 32 -4.645 1.111 6.017 237 H GLU 33 H GLU 33 -2.456 5.564 6.819 238 HA GLU 33 HA GLU 33 -4.481 5.725 8.881 239 HB2 GLU 33 1HB GLU 33 -2.247 7.671 8.650 240 HB3 GLU 33 2HB GLU 33 -3.852 8.326 8.941 241 HG2 GLU 33 1HG GLU 33 -4.047 6.833 10.910 242 HG3 GLU 33 2HG GLU 33 -2.377 6.334 10.646 243 H GLU 34 H GLU 34 -6.341 6.715 8.195 244 HA GLU 34 HA GLU 34 -7.073 6.733 5.590 245 HB2 GLU 34 1HB GLU 34 -8.635 7.055 7.470 246 HB3 GLU 34 2HB GLU 34 -8.047 8.700 7.670 247 HG2 GLU 34 1HG GLU 34 -8.853 9.252 5.424 248 HG3 GLU 34 2HG GLU 34 -9.469 7.609 5.251 249 H HIS 35 H HIS 35 -7.579 8.517 4.092 250 HA HIS 35 HA HIS 35 -6.689 10.053 2.638 251 HB2 HIS 35 1HB HIS 35 -6.209 12.290 3.940 252 HB3 HIS 35 2HB HIS 35 -7.853 11.677 3.793 253 HD1 HIS 35 1HD HIS 35 -9.062 11.071 5.925 254 HD2 HIS 35 2HD HIS 35 -5.038 11.910 6.530 255 HE1 HIS 35 1HE HIS 35 -8.766 11.181 8.420 256 HE2 HIS 35 2HE HIS 35 -6.342 11.774 8.760 257 H GLU 36 H GLU 36 -4.747 8.263 3.146 258 HA GLU 36 HA GLU 36 -2.342 9.941 3.413 259 HB2 GLU 36 1HB GLU 36 -2.526 8.521 5.380 260 HB3 GLU 36 2HB GLU 36 -2.717 7.098 4.366 261 HG2 GLU 36 1HG GLU 36 -0.502 7.012 5.052 262 HG3 GLU 36 2HG GLU 36 -0.417 7.680 3.423 263 H VAL 37 H VAL 37 -1.744 10.202 1.339 264 HA VAL 37 HA VAL 37 -2.036 8.160 -0.643 265 HB VAL 37 HB VAL 37 -0.451 10.730 -0.752 266 HG11 VAL 37 1HG1 VAL 37 -1.293 8.806 -2.913 267 HG12 VAL 37 2HG1 VAL 37 -0.674 10.430 -3.219 268 HG13 VAL 37 3HG1 VAL 37 0.351 9.227 -2.435 269 HG21 VAL 37 1HG2 VAL 37 -3.265 10.228 -0.777 270 HG22 VAL 37 2HG2 VAL 37 -2.411 11.767 -0.893 271 HG23 VAL 37 3HG2 VAL 37 -2.768 10.844 -2.353 272 H LEU 38 H LEU 38 -0.785 6.423 -0.755 273 HA LEU 38 HA LEU 38 2.056 6.683 -0.015 274 HB2 LEU 38 1HB LEU 38 0.443 4.144 0.024 275 HB3 LEU 38 2HB LEU 38 2.053 4.410 0.691 276 HG LEU 38 HG LEU 38 -0.260 5.952 1.785 277 HD11 LEU 38 1HD1 LEU 38 -0.932 3.550 1.676 278 HD12 LEU 38 2HD1 LEU 38 -0.827 4.207 3.309 279 HD13 LEU 38 3HD1 LEU 38 0.460 3.172 2.691 280 HD21 LEU 38 1HD2 LEU 38 1.421 5.087 3.803 281 HD22 LEU 38 2HD2 LEU 38 1.427 6.679 3.045 282 HD23 LEU 38 3HD2 LEU 38 2.511 5.417 2.457 283 H GLU 39 H GLU 39 3.362 4.791 -1.074 284 HA GLU 39 HA GLU 39 2.547 4.557 -3.895 285 HB2 GLU 39 1HB GLU 39 4.445 6.230 -3.323 286 HB3 GLU 39 2HB GLU 39 5.425 4.793 -3.071 287 HG2 GLU 39 1HG GLU 39 5.907 5.179 -5.248 288 HG3 GLU 39 2HG GLU 39 4.478 4.167 -5.458 289 H VAL 40 H VAL 40 2.469 2.541 -4.629 290 HA VAL 40 HA VAL 40 3.468 0.381 -2.959 291 HB VAL 40 HB VAL 40 1.880 0.259 -5.527 292 HG11 VAL 40 1HG1 VAL 40 1.433 -2.063 -4.892 293 HG12 VAL 40 2HG1 VAL 40 3.160 -1.778 -5.122 294 HG13 VAL 40 3HG1 VAL 40 2.491 -1.884 -3.493 295 HG21 VAL 40 1HG2 VAL 40 0.143 -0.545 -3.685 296 HG22 VAL 40 2HG2 VAL 40 1.117 0.519 -2.671 297 HG23 VAL 40 3HG2 VAL 40 0.331 1.154 -4.116 298 H ILE 41 H ILE 41 5.571 -0.061 -3.193 299 HA ILE 41 HA ILE 41 6.766 0.016 -5.867 300 HB ILE 41 HB ILE 41 8.928 -0.108 -4.744 301 HG12 ILE 41 1HG1 ILE 41 7.324 -0.146 -2.178 302 HG13 ILE 41 2HG1 ILE 41 8.233 -1.504 -2.833 303 HG21 ILE 41 1HG2 ILE 41 7.621 1.987 -3.134 304 HG22 ILE 41 2HG2 ILE 41 8.973 2.095 -4.260 305 HG23 ILE 41 3HG2 ILE 41 7.320 2.044 -4.871 306 HD11 ILE 41 1HD1 ILE 41 10.275 -0.002 -2.676 307 HD12 ILE 41 2HD1 ILE 41 9.274 1.058 -1.683 308 HD13 ILE 41 3HD1 ILE 41 9.591 -0.597 -1.164 309 H GLU 42 H GLU 42 6.128 -2.149 -3.170 310 HA GLU 42 HA GLU 42 6.819 -4.411 -4.916 311 HB2 GLU 42 1HB GLU 42 7.781 -3.813 -2.169 312 HB3 GLU 42 2HB GLU 42 7.385 -5.488 -2.530 313 HG2 GLU 42 1HG GLU 42 8.886 -5.179 -4.593 314 HG3 GLU 42 2HG GLU 42 9.485 -3.747 -3.756 315 H ASP 43 H ASP 43 5.748 -6.434 -4.321 316 HA ASP 43 HA ASP 43 3.016 -5.914 -3.455 317 HB2 ASP 43 1HB ASP 43 2.845 -8.448 -4.153 318 HB3 ASP 43 2HB ASP 43 2.924 -7.185 -5.379 319 H GLY 44 H GLY 44 4.656 -5.666 -1.324 320 HA2 GLY 44 1HA GLY 44 5.254 -6.545 0.734 321 HA3 GLY 44 2HA GLY 44 3.597 -7.128 0.679 322 H ASP 45 H ASP 45 4.396 -8.882 2.019 323 HA ASP 45 HA ASP 45 5.908 -10.903 0.503 324 HB2 ASP 45 1HB ASP 45 6.871 -10.123 2.690 325 HB3 ASP 45 2HB ASP 45 5.461 -10.812 3.491 326 H MET 46 H MET 46 2.940 -10.233 2.198 327 HA MET 46 HA MET 46 2.032 -12.976 2.118 328 HB2 MET 46 1HB MET 46 1.433 -11.026 3.809 329 HB3 MET 46 2HB MET 46 0.172 -10.698 2.628 330 HG2 MET 46 1HG MET 46 -0.661 -12.115 4.400 331 HG3 MET 46 2HG MET 46 -0.652 -12.980 2.865 332 HE1 MET 46 1HE MET 46 1.774 -13.672 6.612 333 HE2 MET 46 2HE MET 46 2.658 -12.635 5.491 334 HE3 MET 46 3HE MET 46 1.051 -12.165 6.047 335 H GLU 47 H GLU 47 -0.099 -13.495 1.102 336 HA GLU 47 HA GLU 47 -0.022 -12.773 -1.669 337 HB2 GLU 47 1HB GLU 47 -1.893 -14.505 -0.057 338 HB3 GLU 47 2HB GLU 47 -2.082 -14.246 -1.785 339 HG2 GLU 47 1HG GLU 47 0.469 -15.292 -0.610 340 HG3 GLU 47 2HG GLU 47 -0.874 -16.353 -1.030 341 H ASP 48 H ASP 48 -2.032 -11.963 1.091 342 HA ASP 48 HA ASP 48 -3.666 -10.219 -0.623 343 HB2 ASP 48 1HB ASP 48 -4.646 -12.032 1.015 344 HB3 ASP 48 2HB ASP 48 -4.360 -10.790 2.231 345 H TRP 49 H TRP 49 -1.101 -9.355 -0.052 346 HA TRP 49 HA TRP 49 -1.686 -6.904 1.379 347 HB2 TRP 49 1HB TRP 49 0.527 -8.763 2.276 348 HB3 TRP 49 2HB TRP 49 0.334 -7.099 2.821 349 HD1 TRP 49 HD TRP 49 -1.789 -10.357 2.815 350 HE1 TRP 49 1HE TRP 49 -3.127 -10.426 5.013 351 HE3 TRP 49 3HE TRP 49 -0.330 -5.875 4.795 352 HZ2 TRP 49 2HZ TRP 49 -3.513 -8.796 7.285 353 HZ3 TRP 49 3HZ TRP 49 -1.230 -5.204 6.984 354 HH2 TRP 49 HH TRP 49 -2.789 -6.635 8.202 355 H VAL 50 H VAL 50 0.163 -5.344 1.213 356 HA VAL 50 HA VAL 50 1.944 -5.880 -1.050 357 HB VAL 50 HB VAL 50 1.440 -3.635 -2.007 358 HG11 VAL 50 1HG1 VAL 50 0.484 -5.653 -2.985 359 HG12 VAL 50 2HG1 VAL 50 -0.892 -5.546 -1.885 360 HG13 VAL 50 3HG1 VAL 50 -0.641 -4.301 -3.109 361 HG21 VAL 50 1HG2 VAL 50 -0.185 -2.249 -1.218 362 HG22 VAL 50 2HG2 VAL 50 -1.159 -3.572 -0.576 363 HG23 VAL 50 3HG2 VAL 50 0.269 -3.023 0.300 364 H LYS 51 H LYS 51 3.563 -4.063 -1.315 365 HA LYS 51 HA LYS 51 4.381 -3.125 1.353 366 HB2 LYS 51 1HB LYS 51 5.826 -4.763 -0.081 367 HB3 LYS 51 2HB LYS 51 6.252 -3.314 -0.983 368 HG2 LYS 51 1HG LYS 51 6.966 -2.290 1.195 369 HG3 LYS 51 2HG LYS 51 6.752 -3.882 1.926 370 HD2 LYS 51 1HD LYS 51 8.564 -3.284 -0.412 371 HD3 LYS 51 2HD LYS 51 9.094 -3.422 1.266 372 HE2 LYS 51 1HE LYS 51 8.181 -5.737 1.296 373 HE3 LYS 51 2HE LYS 51 7.830 -5.577 -0.424 374 HZ1 LYS 51 1HZ LYS 51 9.875 -6.609 -0.409 375 HZ2 LYS 51 2HZ LYS 51 10.443 -5.737 0.924 376 HZ3 LYS 51 3HZ LYS 51 10.318 -4.986 -0.587 377 H ALA 52 H ALA 52 4.086 -1.031 1.691 378 HA ALA 52 HA ALA 52 4.541 0.836 -0.539 379 HB1 ALA 52 1HB ALA 52 2.216 0.719 1.345 380 HB2 ALA 52 2HB ALA 52 2.700 2.244 0.600 381 HB3 ALA 52 3HB ALA 52 2.223 0.881 -0.412 382 H ARG 53 H ARG 53 5.720 2.619 -0.071 383 HA ARG 53 HA ARG 53 6.772 2.819 2.659 384 HB2 ARG 53 1HB ARG 53 8.433 2.558 0.883 385 HB3 ARG 53 2HB ARG 53 7.803 3.982 0.065 386 HG2 ARG 53 1HG ARG 53 8.455 5.352 2.005 387 HG3 ARG 53 2HG ARG 53 9.150 3.914 2.757 388 HD2 ARG 53 1HD ARG 53 9.988 5.051 0.092 389 HD3 ARG 53 2HD ARG 53 10.830 5.328 1.616 390 HE ARG 53 HE ARG 53 10.515 2.549 1.058 391 HH11 ARG 53 2HH1 ARG 53 12.420 5.362 0.297 392 HH12 ARG 53 1HH1 ARG 53 13.831 4.452 -0.129 393 HH21 ARG 53 2HH2 ARG 53 12.367 1.340 0.500 394 HH22 ARG 53 1HH2 ARG 53 13.800 2.164 -0.014 395 H ASN 54 H ASN 54 6.210 4.445 3.947 396 HA ASN 54 HA ASN 54 4.413 6.483 2.980 397 HB2 ASN 54 1HB ASN 54 4.724 7.239 5.489 398 HB3 ASN 54 2HB ASN 54 3.760 5.820 5.090 399 HD21 ASN 54 1HD2 ASN 54 4.275 5.396 7.399 400 HD22 ASN 54 2HD2 ASN 54 5.722 4.518 7.746 401 H LYS 55 H LYS 55 4.919 8.742 4.242 402 HA LYS 55 HA LYS 55 6.945 9.969 2.751 403 HB2 LYS 55 1HB LYS 55 6.585 11.920 4.244 404 HB3 LYS 55 2HB LYS 55 5.088 11.253 3.607 405 HG2 LYS 55 1HG LYS 55 5.135 9.901 5.873 406 HG3 LYS 55 2HG LYS 55 6.134 11.264 6.384 407 HD2 LYS 55 1HD LYS 55 3.519 11.719 4.994 408 HD3 LYS 55 2HD LYS 55 3.572 11.387 6.727 409 HE2 LYS 55 1HE LYS 55 5.308 13.512 5.531 410 HE3 LYS 55 2HE LYS 55 3.616 13.844 5.898 411 HZ1 LYS 55 1HZ LYS 55 4.478 14.399 7.885 412 HZ2 LYS 55 2HZ LYS 55 5.858 13.440 7.699 413 HZ3 LYS 55 3HZ LYS 55 4.397 12.735 8.179 414 H VAL 56 H VAL 56 6.937 8.659 6.018 415 HA VAL 56 HA VAL 56 9.460 9.689 6.798 416 HB VAL 56 HB VAL 56 9.399 7.982 8.579 417 HG11 VAL 56 1HG1 VAL 56 6.943 9.627 8.053 418 HG12 VAL 56 2HG1 VAL 56 7.141 8.700 9.541 419 HG13 VAL 56 3HG1 VAL 56 8.293 9.972 9.133 420 HG21 VAL 56 1HG2 VAL 56 6.827 6.915 8.333 421 HG22 VAL 56 2HG2 VAL 56 7.573 6.712 6.748 422 HG23 VAL 56 3HG2 VAL 56 8.359 6.055 8.183 423 H GLY 57 H GLY 57 8.495 7.000 4.847 424 HA2 GLY 57 1HA GLY 57 10.067 5.998 3.338 425 HA3 GLY 57 2HA GLY 57 11.331 6.281 4.526 426 H GLN 58 H GLN 58 8.970 5.255 6.417 427 HA GLN 58 HA GLN 58 10.071 2.730 6.898 428 HB2 GLN 58 1HB GLN 58 7.604 4.158 7.751 429 HB3 GLN 58 2HB GLN 58 7.665 2.420 8.009 430 HG2 GLN 58 1HG GLN 58 9.655 2.638 9.342 431 HG3 GLN 58 2HG GLN 58 9.740 4.364 8.993 432 HE21 GLN 58 1HE2 GLN 58 9.550 2.967 11.552 433 HE22 GLN 58 2HE2 GLN 58 8.139 3.589 12.330 434 H VAL 59 H VAL 59 9.859 0.843 5.898 435 HA VAL 59 HA VAL 59 7.651 0.523 3.974 436 HB VAL 59 HB VAL 59 10.270 -0.978 3.999 437 HG11 VAL 59 1HG1 VAL 59 8.026 -0.796 1.996 438 HG12 VAL 59 2HG1 VAL 59 9.597 -1.529 1.661 439 HG13 VAL 59 3HG1 VAL 59 8.545 -2.220 2.897 440 HG21 VAL 59 1HG2 VAL 59 11.262 0.679 2.890 441 HG22 VAL 59 2HG2 VAL 59 9.894 0.852 1.791 442 HG23 VAL 59 3HG2 VAL 59 9.893 1.695 3.340 443 H GLY 60 H GLY 60 6.132 -0.927 4.431 444 HA2 GLY 60 1HA GLY 60 6.836 -3.311 5.980 445 HA3 GLY 60 2HA GLY 60 5.575 -2.266 6.617 446 H TYR 61 H TYR 61 4.122 -4.055 6.462 447 HA TYR 61 HA TYR 61 3.216 -4.567 3.704 448 HB2 TYR 61 1HB TYR 61 3.044 -6.426 6.085 449 HB3 TYR 61 2HB TYR 61 2.419 -6.765 4.475 450 HD1 TYR 61 2HD TYR 61 4.543 -5.930 2.702 451 HD2 TYR 61 1HD TYR 61 4.810 -7.867 6.481 452 HE1 TYR 61 2HE TYR 61 6.717 -6.881 2.054 453 HE2 TYR 61 1HE TYR 61 6.986 -8.822 5.844 454 HH TYR 61 HH TYR 61 8.310 -8.374 2.600 455 H VAL 62 H VAL 62 1.189 -4.010 3.234 456 HA VAL 62 HA VAL 62 -0.734 -3.649 5.428 457 HB VAL 62 HB VAL 62 -1.625 -1.638 4.192 458 HG11 VAL 62 1HG1 VAL 62 0.629 -0.304 4.892 459 HG12 VAL 62 2HG1 VAL 62 -0.601 -0.850 6.033 460 HG13 VAL 62 3HG1 VAL 62 0.848 -1.819 5.766 461 HG21 VAL 62 1HG2 VAL 62 0.998 -1.152 2.956 462 HG22 VAL 62 2HG2 VAL 62 0.027 -2.407 2.187 463 HG23 VAL 62 3HG2 VAL 62 -0.622 -0.778 2.368 464 HA PRO 63 HA PRO 63 -3.567 -5.857 2.902 465 HB2 PRO 63 1HB PRO 63 -5.921 -4.742 3.666 466 HB3 PRO 63 2HB PRO 63 -4.996 -5.837 4.701 467 HG2 PRO 63 1HG PRO 63 -5.118 -2.846 4.737 468 HG3 PRO 63 2HG PRO 63 -5.140 -3.984 6.098 469 HD2 PRO 63 1HD PRO 63 -2.908 -2.642 5.357 470 HD3 PRO 63 2HD PRO 63 -2.854 -4.273 6.057 471 H GLU 64 H GLU 64 -4.035 -5.683 0.806 472 HA GLU 64 HA GLU 64 -3.989 -3.208 -0.565 473 HB2 GLU 64 1HB GLU 64 -3.541 -5.682 -1.379 474 HB3 GLU 64 2HB GLU 64 -5.250 -5.624 -1.787 475 HG2 GLU 64 1HG GLU 64 -3.465 -3.421 -2.695 476 HG3 GLU 64 2HG GLU 64 -3.433 -4.967 -3.540 477 H LYS 65 H LYS 65 -6.607 -5.340 0.472 478 HA LYS 65 HA LYS 65 -8.764 -4.234 -0.816 479 HB2 LYS 65 1HB LYS 65 -10.128 -4.987 1.094 480 HB3 LYS 65 2HB LYS 65 -8.961 -6.205 0.595 481 HG2 LYS 65 1HG LYS 65 -7.502 -5.032 2.473 482 HG3 LYS 65 2HG LYS 65 -9.102 -4.614 3.091 483 HD2 LYS 65 1HD LYS 65 -8.830 -6.633 4.117 484 HD3 LYS 65 2HD LYS 65 -9.548 -7.184 2.601 485 HE2 LYS 65 1HE LYS 65 -7.102 -7.335 1.776 486 HE3 LYS 65 2HE LYS 65 -6.687 -7.285 3.488 487 HZ1 LYS 65 1HZ LYS 65 -8.301 -9.194 3.740 488 HZ2 LYS 65 2HZ LYS 65 -6.850 -9.541 2.944 489 HZ3 LYS 65 3HZ LYS 65 -8.273 -9.330 2.054 490 H TYR 66 H TYR 66 -7.020 -2.989 1.964 491 HA TYR 66 HA TYR 66 -8.907 -0.878 2.471 492 HB2 TYR 66 1HB TYR 66 -6.191 -1.577 3.553 493 HB3 TYR 66 2HB TYR 66 -6.949 -0.038 3.944 494 HD1 TYR 66 1HD TYR 66 -7.591 -3.709 4.038 495 HD2 TYR 66 2HD TYR 66 -8.409 0.099 5.749 496 HE1 TYR 66 1HE TYR 66 -8.854 -4.799 5.845 497 HE2 TYR 66 2HE TYR 66 -9.673 -0.980 7.562 498 HH TYR 66 HH TYR 66 -10.985 -3.386 7.710 499 H LEU 67 H LEU 67 -6.000 -1.297 0.601 500 HA LEU 67 HA LEU 67 -5.552 1.511 0.181 501 HB2 LEU 67 1HB LEU 67 -4.416 -0.972 -1.076 502 HB3 LEU 67 2HB LEU 67 -3.967 0.649 -1.600 503 HG LEU 67 HG LEU 67 -3.517 -0.504 1.153 504 HD11 LEU 67 1HD1 LEU 67 -1.113 -0.303 0.470 505 HD12 LEU 67 2HD1 LEU 67 -1.674 -0.029 -1.178 506 HD13 LEU 67 3HD1 LEU 67 -2.027 -1.556 -0.370 507 HD21 LEU 67 1HD2 LEU 67 -3.790 1.797 1.464 508 HD22 LEU 67 2HD2 LEU 67 -2.982 2.191 -0.053 509 HD23 LEU 67 3HD2 LEU 67 -2.045 1.583 1.313 510 H GLN 68 H GLN 68 -5.935 2.699 -1.688 511 HA GLN 68 HA GLN 68 -7.937 1.526 -3.502 512 HB2 GLN 68 1HB GLN 68 -8.582 3.503 -2.008 513 HB3 GLN 68 2HB GLN 68 -7.531 4.473 -3.030 514 HG2 GLN 68 1HG GLN 68 -9.812 4.697 -3.756 515 HG3 GLN 68 2HG GLN 68 -8.877 3.843 -4.984 516 HE21 GLN 68 1HE2 GLN 68 -11.409 3.540 -5.328 517 HE22 GLN 68 2HE2 GLN 68 -11.999 2.019 -4.759 518 H PHE 69 H PHE 69 -6.777 0.803 -5.204 519 HA PHE 69 HA PHE 69 -4.502 2.178 -6.246 520 HB2 PHE 69 1HB PHE 69 -6.135 -0.173 -7.171 521 HB3 PHE 69 2HB PHE 69 -4.872 0.510 -8.190 522 HD1 PHE 69 1HD PHE 69 -5.061 -0.132 -4.522 523 HD2 PHE 69 2HD PHE 69 -3.074 -0.919 -8.203 524 HE1 PHE 69 1HE PHE 69 -3.378 -1.470 -3.324 525 HE2 PHE 69 2HE PHE 69 -1.389 -2.259 -7.011 526 HZ PHE 69 HZ PHE 69 -1.541 -2.537 -4.569 527 HA PRO 70 HA PRO 70 -6.343 5.005 -9.052 528 HB2 PRO 70 1HB PRO 70 -4.533 4.996 -11.075 529 HB3 PRO 70 2HB PRO 70 -4.219 5.751 -9.508 530 HG2 PRO 70 1HG PRO 70 -3.355 3.072 -10.528 531 HG3 PRO 70 2HG PRO 70 -2.425 4.274 -9.614 532 HD2 PRO 70 1HD PRO 70 -3.525 2.091 -8.450 533 HD3 PRO 70 2HD PRO 70 -3.345 3.638 -7.599 534 H THR 71 H THR 71 -6.303 1.759 -9.618 535 HA THR 71 HA THR 71 -6.979 1.634 -12.378 536 HB THR 71 HB THR 71 -6.123 -0.327 -11.165 537 HG1 THR 71 1HG THR 71 -7.971 -1.766 -11.883 538 HG21 THR 71 1HG2 THR 71 -8.212 -1.486 -9.879 539 HG22 THR 71 2HG2 THR 71 -8.479 0.213 -9.484 540 HG23 THR 71 3HG2 THR 71 -6.946 -0.558 -9.076 541 H SER 72 H SER 72 -9.072 0.978 -13.240 542 HA SER 72 HA SER 72 -11.170 2.645 -12.253 543 HB2 SER 72 1HB SER 72 -12.480 1.730 -14.135 544 HB3 SER 72 2HB SER 72 -10.882 2.263 -14.656 545 HG SER 72 HG SER 72 -11.791 -0.382 -14.222 546 H SER 73 H SER 73 -12.204 2.109 -10.440 547 HA SER 73 HA SER 73 -12.711 -0.676 -9.785 548 HB2 SER 73 1HB SER 73 -11.953 1.008 -8.070 549 HB3 SER 73 2HB SER 73 -13.530 1.782 -8.223 550 HG SER 73 HG SER 73 -14.196 -0.620 -7.822 551 H GLY 74 H GLY 74 -14.260 -1.372 -11.232 552 HA2 GLY 74 1HA GLY 74 -16.906 -1.235 -10.617 553 HA3 GLY 74 2HA GLY 74 -16.671 0.134 -11.694 554 HA PRO 75 HA PRO 75 -17.666 -3.615 -14.249 555 HB2 PRO 75 1HB PRO 75 -19.561 -2.384 -15.754 556 HB3 PRO 75 2HB PRO 75 -19.917 -3.158 -14.205 557 HG2 PRO 75 1HG PRO 75 -19.475 -0.261 -14.818 558 HG3 PRO 75 2HG PRO 75 -20.697 -1.010 -13.773 559 HD2 PRO 75 1HD PRO 75 -18.447 0.136 -12.794 560 HD3 PRO 75 2HD PRO 75 -19.225 -1.258 -12.017 561 H SER 76 H SER 76 -16.153 -0.709 -14.593 562 HA SER 76 HA SER 76 -15.998 0.106 -17.130 563 HB2 SER 76 1HB SER 76 -14.499 0.940 -15.374 564 HB3 SER 76 2HB SER 76 -13.582 -0.564 -15.430 565 HG SER 76 HG SER 76 -13.511 0.147 -17.851 566 H SER 77 H SER 77 -16.129 -1.012 -18.957 567 HA SER 77 HA SER 77 -14.273 -3.256 -19.355 568 HB2 SER 77 1HB SER 77 -16.054 -4.461 -20.607 569 HB3 SER 77 2HB SER 77 -16.448 -4.248 -18.901 570 HG SER 77 HG SER 77 -17.538 -2.977 -21.157 571 H GLY 78 H GLY 78 -13.144 -3.146 -21.195 572 HA2 GLY 78 1HA GLY 78 -13.533 -0.891 -22.945 573 HA3 GLY 78 2HA GLY 78 -12.269 -2.105 -23.070 Start of MODEL 5 1 H1 GLY 1 H GLY 1 6.739 8.841 -24.460 2 HA2 GLY 1 1HA GLY 1 7.683 7.777 -26.709 3 HA3 GLY 1 2HA GLY 1 9.180 8.315 -25.961 4 H SER 2 H SER 2 10.098 6.370 -25.520 5 HA SER 2 HA SER 2 9.001 4.010 -24.768 6 HB2 SER 2 1HB SER 2 11.525 5.181 -23.574 7 HB3 SER 2 2HB SER 2 11.107 3.470 -23.642 8 HG SER 2 HG SER 2 12.281 3.666 -25.418 9 H SER 3 H SER 3 7.862 3.242 -23.113 10 HA SER 3 HA SER 3 7.757 4.840 -20.639 11 HB2 SER 3 1HB SER 3 5.629 4.935 -21.816 12 HB3 SER 3 2HB SER 3 5.578 3.175 -21.922 13 HG SER 3 HG SER 3 5.715 3.326 -19.501 14 H GLY 4 H GLY 4 7.036 1.527 -21.767 15 HA2 GLY 4 1HA GLY 4 8.856 0.053 -20.449 16 HA3 GLY 4 2HA GLY 4 7.729 0.457 -19.163 17 H SER 5 H SER 5 8.108 -2.150 -19.701 18 HA SER 5 HA SER 5 6.449 -3.281 -21.667 19 HB2 SER 5 1HB SER 5 7.402 -4.409 -19.025 20 HB3 SER 5 2HB SER 5 6.602 -5.357 -20.279 21 HG SER 5 HG SER 5 8.397 -4.404 -21.655 22 H SER 6 H SER 6 4.316 -3.401 -21.819 23 HA SER 6 HA SER 6 2.691 -2.691 -19.491 24 HB2 SER 6 1HB SER 6 2.258 -2.636 -22.451 25 HB3 SER 6 2HB SER 6 0.855 -2.754 -21.389 26 HG SER 6 HG SER 6 2.831 -0.721 -21.426 27 H GLY 7 H GLY 7 0.409 -3.847 -19.618 28 HA2 GLY 7 1HA GLY 7 -0.115 -6.327 -20.534 29 HA3 GLY 7 2HA GLY 7 0.982 -6.655 -19.201 30 H THR 8 H THR 8 -1.426 -7.758 -19.004 31 HA THR 8 HA THR 8 -3.386 -6.116 -17.749 32 HB THR 8 HB THR 8 -4.318 -8.389 -16.984 33 HG1 THR 8 1HG THR 8 -3.409 -10.153 -18.219 34 HG21 THR 8 1HG2 THR 8 -4.640 -8.960 -19.605 35 HG22 THR 8 2HG2 THR 8 -4.085 -7.290 -19.713 36 HG23 THR 8 3HG2 THR 8 -5.520 -7.684 -18.767 37 H LEU 9 H LEU 9 -0.423 -6.959 -16.681 38 HA LEU 9 HA LEU 9 -1.228 -7.359 -13.891 39 HB2 LEU 9 1HB LEU 9 1.336 -7.764 -15.387 40 HB3 LEU 9 2HB LEU 9 1.320 -7.665 -13.628 41 HG LEU 9 HG LEU 9 -0.407 -9.648 -15.067 42 HD11 LEU 9 1HD1 LEU 9 2.113 -9.725 -15.709 43 HD12 LEU 9 2HD1 LEU 9 1.277 -11.208 -15.248 44 HD13 LEU 9 3HD1 LEU 9 2.314 -10.383 -14.084 45 HD21 LEU 9 1HD2 LEU 9 -0.062 -10.889 -12.941 46 HD22 LEU 9 2HD2 LEU 9 -0.883 -9.341 -12.736 47 HD23 LEU 9 3HD2 LEU 9 0.825 -9.497 -12.320 48 H ARG 10 H ARG 10 -0.774 -5.913 -12.296 49 HA ARG 10 HA ARG 10 -0.716 -3.237 -12.721 50 HB2 ARG 10 1HB ARG 10 0.666 -4.659 -10.438 51 HB3 ARG 10 2HB ARG 10 0.167 -2.973 -10.446 52 HG2 ARG 10 1HG ARG 10 -2.193 -4.008 -10.949 53 HG3 ARG 10 2HG ARG 10 -1.475 -5.438 -10.204 54 HD2 ARG 10 1HD ARG 10 -0.944 -4.162 -8.209 55 HD3 ARG 10 2HD ARG 10 -1.569 -2.693 -8.957 56 HE ARG 10 HE ARG 10 -3.101 -4.838 -7.782 57 HH11 ARG 10 2HH1 ARG 10 -3.126 -2.104 -9.937 58 HH12 ARG 10 1HH1 ARG 10 -4.836 -1.856 -9.812 59 HH21 ARG 10 2HH2 ARG 10 -5.353 -4.521 -7.609 60 HH22 ARG 10 1HH2 ARG 10 -6.102 -3.231 -8.487 61 H ASN 11 H ASN 11 0.911 -1.591 -12.574 62 HA ASN 11 HA ASN 11 3.578 -2.502 -13.438 63 HB2 ASN 11 1HB ASN 11 1.945 -1.252 -15.108 64 HB3 ASN 11 2HB ASN 11 2.546 0.175 -14.269 65 HD21 ASN 11 1HD2 ASN 11 4.428 1.002 -14.880 66 HD22 ASN 11 2HD2 ASN 11 5.551 0.248 -15.955 67 H TYR 12 H TYR 12 4.271 -2.422 -11.242 68 HA TYR 12 HA TYR 12 4.075 -0.097 -9.640 69 HB2 TYR 12 1HB TYR 12 5.954 -2.460 -9.514 70 HB3 TYR 12 2HB TYR 12 5.895 -1.194 -8.292 71 HD1 TYR 12 2HD TYR 12 3.049 -0.717 -7.949 72 HD2 TYR 12 1HD TYR 12 5.116 -4.388 -8.540 73 HE1 TYR 12 2HE TYR 12 1.240 -1.915 -6.791 74 HE2 TYR 12 1HE TYR 12 3.312 -5.597 -7.385 75 HH TYR 12 HH TYR 12 0.790 -5.168 -6.957 76 HA PRO 13 HA PRO 13 5.496 0.719 -7.925 77 HB2 PRO 13 1HB PRO 13 5.691 3.399 -7.534 78 HB3 PRO 13 2HB PRO 13 7.046 2.290 -7.285 79 HG2 PRO 13 1HG PRO 13 6.437 4.040 -9.637 80 HG3 PRO 13 2HG PRO 13 7.991 3.744 -8.835 81 HD2 PRO 13 1HD PRO 13 7.286 2.517 -11.144 82 HD3 PRO 13 2HD PRO 13 8.314 1.738 -9.924 83 H LEU 14 H LEU 14 3.592 1.771 -7.000 84 HA LEU 14 HA LEU 14 1.833 3.127 -8.893 85 HB2 LEU 14 1HB LEU 14 1.375 0.438 -7.703 86 HB3 LEU 14 2HB LEU 14 -0.006 1.514 -7.909 87 HG LEU 14 HG LEU 14 1.827 0.691 -10.156 88 HD11 LEU 14 1HD1 LEU 14 0.634 -1.239 -9.134 89 HD12 LEU 14 2HD1 LEU 14 0.180 -0.917 -10.807 90 HD13 LEU 14 3HD1 LEU 14 -0.891 -0.428 -9.494 91 HD21 LEU 14 1HD2 LEU 14 -0.687 2.288 -9.934 92 HD22 LEU 14 2HD2 LEU 14 -0.362 1.368 -11.403 93 HD23 LEU 14 3HD2 LEU 14 0.772 2.610 -10.872 94 H THR 15 H THR 15 1.232 4.915 -7.880 95 HA THR 15 HA THR 15 1.321 5.205 -5.046 96 HB THR 15 HB THR 15 -0.163 7.116 -6.819 97 HG1 THR 15 1HG THR 15 2.621 7.357 -6.538 98 HG21 THR 15 1HG2 THR 15 1.607 7.397 -4.391 99 HG22 THR 15 2HG2 THR 15 -0.135 7.658 -4.481 100 HG23 THR 15 3HG2 THR 15 0.966 8.759 -5.308 101 H CYS 16 H CYS 16 -0.163 4.592 -3.629 102 HA CYS 16 HA CYS 16 -2.926 4.199 -4.561 103 HB2 CYS 16 1HB CYS 16 -3.081 2.790 -2.412 104 HB3 CYS 16 2HB CYS 16 -2.160 2.131 -3.759 105 HG CYS 16 HG CYS 16 0.331 2.785 -2.678 106 H LYS 17 H LYS 17 -4.608 4.533 -2.828 107 HA LYS 17 HA LYS 17 -3.911 6.826 -1.116 108 HB2 LYS 17 1HB LYS 17 -5.130 7.671 -3.032 109 HB3 LYS 17 2HB LYS 17 -6.392 6.466 -2.805 110 HG2 LYS 17 1HG LYS 17 -7.402 8.262 -1.850 111 HG3 LYS 17 2HG LYS 17 -6.574 7.610 -0.435 112 HD2 LYS 17 1HD LYS 17 -4.684 9.168 -0.916 113 HD3 LYS 17 2HD LYS 17 -5.667 9.888 -2.193 114 HE2 LYS 17 1HE LYS 17 -7.430 10.100 -0.246 115 HE3 LYS 17 2HE LYS 17 -5.989 10.020 0.766 116 HZ1 LYS 17 1HZ LYS 17 -5.114 11.945 -0.241 117 HZ2 LYS 17 2HZ LYS 17 -6.730 12.305 0.100 118 HZ3 LYS 17 3HZ LYS 17 -6.263 11.930 -1.482 119 H VAL 18 H VAL 18 -4.004 6.059 0.899 120 HA VAL 18 HA VAL 18 -5.547 3.866 1.746 121 HB VAL 18 HB VAL 18 -4.418 6.106 3.431 122 HG11 VAL 18 1HG1 VAL 18 -4.386 3.825 4.946 123 HG12 VAL 18 2HG1 VAL 18 -5.595 5.106 5.052 124 HG13 VAL 18 3HG1 VAL 18 -5.908 3.676 4.068 125 HG21 VAL 18 1HG2 VAL 18 -2.484 5.289 2.600 126 HG22 VAL 18 2HG2 VAL 18 -2.745 4.028 3.805 127 HG23 VAL 18 3HG2 VAL 18 -3.210 3.753 2.126 128 H VAL 19 H VAL 19 -7.683 3.761 1.883 129 HA VAL 19 HA VAL 19 -9.202 6.208 2.467 130 HB VAL 19 HB VAL 19 -11.173 4.663 1.755 131 HG11 VAL 19 1HG1 VAL 19 -11.084 6.162 0.117 132 HG12 VAL 19 2HG1 VAL 19 -9.336 6.330 0.294 133 HG13 VAL 19 3HG1 VAL 19 -10.001 5.072 -0.748 134 HG21 VAL 19 1HG2 VAL 19 -9.092 3.288 0.117 135 HG22 VAL 19 2HG2 VAL 19 -9.455 2.688 1.735 136 HG23 VAL 19 3HG2 VAL 19 -10.730 2.772 0.519 137 H TYR 20 H TYR 20 -8.483 3.011 3.633 138 HA TYR 20 HA TYR 20 -10.281 3.470 5.923 139 HB2 TYR 20 1HB TYR 20 -9.517 0.945 4.485 140 HB3 TYR 20 2HB TYR 20 -10.065 0.893 6.157 141 HD1 TYR 20 2HD TYR 20 -11.082 2.223 2.821 142 HD2 TYR 20 1HD TYR 20 -12.334 0.711 6.596 143 HE1 TYR 20 2HE TYR 20 -13.417 2.248 2.050 144 HE2 TYR 20 1HE TYR 20 -14.673 0.731 5.834 145 HH TYR 20 HH TYR 20 -16.057 1.839 4.167 146 H SER 21 H SER 21 -9.154 4.109 7.631 147 HA SER 21 HA SER 21 -6.406 3.920 7.976 148 HB2 SER 21 1HB SER 21 -6.833 4.470 10.348 149 HB3 SER 21 2HB SER 21 -7.793 5.475 9.262 150 HG SER 21 HG SER 21 -8.896 3.088 10.230 151 H TYR 22 H TYR 22 -5.102 2.620 9.335 152 HA TYR 22 HA TYR 22 -6.209 0.176 10.429 153 HB2 TYR 22 1HB TYR 22 -5.831 -0.440 8.087 154 HB3 TYR 22 2HB TYR 22 -4.160 0.099 8.204 155 HD1 TYR 22 2HD TYR 22 -6.558 -2.354 9.651 156 HD2 TYR 22 1HD TYR 22 -2.490 -1.398 8.850 157 HE1 TYR 22 2HE TYR 22 -5.891 -4.604 10.385 158 HE2 TYR 22 1HE TYR 22 -1.812 -3.646 9.581 159 HH TYR 22 HH TYR 22 -4.216 -6.026 10.673 160 H LYS 23 H LYS 23 -5.311 0.005 12.361 161 HA LYS 23 HA LYS 23 -2.760 1.268 12.922 162 HB2 LYS 23 1HB LYS 23 -4.906 1.233 14.417 163 HB3 LYS 23 2HB LYS 23 -4.309 -0.343 14.921 164 HG2 LYS 23 1HG LYS 23 -2.121 0.836 15.463 165 HG3 LYS 23 2HG LYS 23 -3.025 2.343 15.287 166 HD2 LYS 23 1HD LYS 23 -4.287 1.963 17.164 167 HD3 LYS 23 2HD LYS 23 -4.148 0.208 17.033 168 HE2 LYS 23 1HE LYS 23 -1.869 0.284 17.810 169 HE3 LYS 23 2HE LYS 23 -1.883 2.047 17.796 170 HZ1 LYS 23 1HZ LYS 23 -2.745 0.272 19.830 171 HZ2 LYS 23 2HZ LYS 23 -4.018 1.285 19.368 172 HZ3 LYS 23 3HZ LYS 23 -2.554 1.952 19.892 173 H ALA 24 H ALA 24 -0.990 0.166 12.376 174 HA ALA 24 HA ALA 24 -0.797 -2.588 11.984 175 HB1 ALA 24 1HB ALA 24 1.562 -2.281 11.842 176 HB2 ALA 24 2HB ALA 24 0.798 -0.850 11.149 177 HB3 ALA 24 3HB ALA 24 1.482 -0.785 12.774 178 H SER 25 H SER 25 -0.228 -4.294 13.251 179 HA SER 25 HA SER 25 0.057 -3.750 16.134 180 HB2 SER 25 1HB SER 25 -1.388 -5.926 14.650 181 HB3 SER 25 2HB SER 25 -0.829 -6.195 16.301 182 HG SER 25 HG SER 25 -2.025 -4.291 16.882 183 H GLN 26 H GLN 26 1.361 -5.341 13.359 184 HA GLN 26 HA GLN 26 3.299 -6.812 14.988 185 HB2 GLN 26 1HB GLN 26 2.545 -6.945 12.075 186 HB3 GLN 26 2HB GLN 26 3.976 -7.749 12.706 187 HG2 GLN 26 1HG GLN 26 2.642 -9.119 14.150 188 HG3 GLN 26 2HG GLN 26 1.184 -8.229 13.716 189 HE21 GLN 26 1HE2 GLN 26 0.528 -8.323 11.443 190 HE22 GLN 26 2HE2 GLN 26 0.808 -9.782 10.561 191 HA PRO 27 HA PRO 27 6.543 -3.935 14.289 192 HB2 PRO 27 1HB PRO 27 8.689 -5.597 14.352 193 HB3 PRO 27 2HB PRO 27 7.771 -5.159 15.797 194 HG2 PRO 27 1HG PRO 27 7.602 -7.636 14.125 195 HG3 PRO 27 2HG PRO 27 7.593 -7.475 15.891 196 HD2 PRO 27 1HD PRO 27 5.331 -7.847 14.450 197 HD3 PRO 27 2HD PRO 27 5.361 -6.903 15.953 198 H ASP 28 H ASP 28 5.696 -6.296 12.047 199 HA ASP 28 HA ASP 28 7.659 -5.301 10.090 200 HB2 ASP 28 1HB ASP 28 6.052 -7.863 9.989 201 HB3 ASP 28 2HB ASP 28 7.283 -7.359 8.834 202 H GLU 29 H GLU 29 4.769 -4.483 11.045 203 HA GLU 29 HA GLU 29 3.521 -4.382 8.390 204 HB2 GLU 29 1HB GLU 29 2.484 -4.269 11.181 205 HB3 GLU 29 2HB GLU 29 1.596 -3.396 9.940 206 HG2 GLU 29 1HG GLU 29 1.427 -5.482 8.637 207 HG3 GLU 29 2HG GLU 29 2.235 -6.337 9.949 208 H LEU 30 H LEU 30 2.257 -2.308 7.972 209 HA LEU 30 HA LEU 30 3.891 0.005 8.788 210 HB2 LEU 30 1HB LEU 30 3.856 -0.913 6.314 211 HB3 LEU 30 2HB LEU 30 2.360 0.015 6.235 212 HG LEU 30 HG LEU 30 4.421 1.179 5.383 213 HD11 LEU 30 1HD1 LEU 30 2.225 2.168 6.581 214 HD12 LEU 30 2HD1 LEU 30 3.503 3.172 5.897 215 HD13 LEU 30 3HD1 LEU 30 3.477 2.837 7.628 216 HD21 LEU 30 1HD2 LEU 30 6.215 1.557 6.666 217 HD22 LEU 30 2HD2 LEU 30 5.579 0.264 7.683 218 HD23 LEU 30 3HD2 LEU 30 5.239 1.948 8.082 219 H THR 31 H THR 31 2.769 1.190 10.184 220 HA THR 31 HA THR 31 -0.046 1.147 10.431 221 HB THR 31 HB THR 31 1.880 3.234 11.471 222 HG1 THR 31 1HG THR 31 1.519 1.859 13.443 223 HG21 THR 31 1HG2 THR 31 -0.659 3.704 11.415 224 HG22 THR 31 2HG2 THR 31 0.203 3.940 12.935 225 HG23 THR 31 3HG2 THR 31 -0.760 2.485 12.684 226 H ILE 32 H ILE 32 -1.382 1.906 8.925 227 HA ILE 32 HA ILE 32 -0.673 4.408 7.543 228 HB ILE 32 HB ILE 32 -2.243 3.745 5.787 229 HG12 ILE 32 1HG1 ILE 32 -2.557 1.200 7.394 230 HG13 ILE 32 2HG1 ILE 32 -3.792 2.436 7.177 231 HG21 ILE 32 1HG2 ILE 32 -0.161 3.068 5.148 232 HG22 ILE 32 2HG2 ILE 32 0.046 2.013 6.545 233 HG23 ILE 32 3HG2 ILE 32 -0.970 1.502 5.198 234 HD11 ILE 32 1HD1 ILE 32 -3.068 0.226 5.471 235 HD12 ILE 32 2HD1 ILE 32 -4.503 1.252 5.447 236 HD13 ILE 32 3HD1 ILE 32 -3.043 1.759 4.599 237 H GLU 33 H GLU 33 -2.637 5.712 6.854 238 HA GLU 33 HA GLU 33 -4.906 5.548 8.660 239 HB2 GLU 33 1HB GLU 33 -2.794 7.632 8.834 240 HB3 GLU 33 2HB GLU 33 -4.460 8.165 8.998 241 HG2 GLU 33 1HG GLU 33 -4.809 6.766 10.886 242 HG3 GLU 33 2HG GLU 33 -3.265 5.952 10.641 243 H GLU 34 H GLU 34 -6.744 6.497 7.859 244 HA GLU 34 HA GLU 34 -7.147 6.721 5.173 245 HB2 GLU 34 1HB GLU 34 -8.922 6.680 6.935 246 HB3 GLU 34 2HB GLU 34 -8.596 8.380 7.241 247 HG2 GLU 34 1HG GLU 34 -9.321 8.986 5.048 248 HG3 GLU 34 2HG GLU 34 -9.454 7.294 4.572 249 H HIS 35 H HIS 35 -7.247 8.389 3.659 250 HA HIS 35 HA HIS 35 -6.672 10.338 2.630 251 HB2 HIS 35 1HB HIS 35 -6.167 11.605 5.310 252 HB3 HIS 35 2HB HIS 35 -6.729 12.363 3.823 253 HD1 HIS 35 1HD HIS 35 -9.242 11.477 3.072 254 HD2 HIS 35 2HD HIS 35 -8.159 11.091 7.064 255 HE1 HIS 35 1HE HIS 35 -11.401 11.198 4.330 256 HE2 HIS 35 2HE HIS 35 -10.726 11.052 6.753 257 H GLU 36 H GLU 36 -4.722 8.311 3.298 258 HA GLU 36 HA GLU 36 -2.298 9.982 3.428 259 HB2 GLU 36 1HB GLU 36 -2.496 8.542 5.397 260 HB3 GLU 36 2HB GLU 36 -2.653 7.129 4.363 261 HG2 GLU 36 1HG GLU 36 -0.447 7.015 4.960 262 HG3 GLU 36 2HG GLU 36 -0.347 7.890 3.432 263 H VAL 37 H VAL 37 -1.283 10.097 1.548 264 HA VAL 37 HA VAL 37 -1.794 8.134 -0.527 265 HB VAL 37 HB VAL 37 -0.038 10.590 -0.630 266 HG11 VAL 37 1HG1 VAL 37 0.290 8.696 -2.321 267 HG12 VAL 37 2HG1 VAL 37 -1.288 9.165 -2.957 268 HG13 VAL 37 3HG1 VAL 37 0.042 10.324 -2.952 269 HG21 VAL 37 1HG2 VAL 37 -2.553 10.705 -2.075 270 HG22 VAL 37 2HG2 VAL 37 -2.786 10.512 -0.338 271 HG23 VAL 37 3HG2 VAL 37 -1.840 11.866 -0.955 272 H LEU 38 H LEU 38 -0.606 6.361 -0.700 273 HA LEU 38 HA LEU 38 2.209 6.458 0.165 274 HB2 LEU 38 1HB LEU 38 0.381 4.064 0.053 275 HB3 LEU 38 2HB LEU 38 2.049 4.077 0.622 276 HG LEU 38 HG LEU 38 -0.056 5.737 1.969 277 HD11 LEU 38 1HD1 LEU 38 -0.737 3.996 3.334 278 HD12 LEU 38 2HD1 LEU 38 0.643 2.984 2.907 279 HD13 LEU 38 3HD1 LEU 38 -0.660 3.234 1.745 280 HD21 LEU 38 1HD2 LEU 38 2.643 4.640 2.691 281 HD22 LEU 38 2HD2 LEU 38 1.508 5.202 3.918 282 HD23 LEU 38 3HD2 LEU 38 2.097 6.317 2.684 283 H GLU 39 H GLU 39 3.518 4.630 -0.946 284 HA GLU 39 HA GLU 39 2.797 4.520 -3.799 285 HB2 GLU 39 1HB GLU 39 4.666 6.172 -3.121 286 HB3 GLU 39 2HB GLU 39 5.644 4.735 -2.860 287 HG2 GLU 39 1HG GLU 39 6.215 5.172 -5.005 288 HG3 GLU 39 2HG GLU 39 4.803 4.159 -5.298 289 H VAL 40 H VAL 40 2.363 2.466 -4.252 290 HA VAL 40 HA VAL 40 3.520 0.291 -2.767 291 HB VAL 40 HB VAL 40 1.767 0.250 -5.229 292 HG11 VAL 40 1HG1 VAL 40 2.640 -1.956 -3.370 293 HG12 VAL 40 2HG1 VAL 40 1.327 -2.107 -4.539 294 HG13 VAL 40 3HG1 VAL 40 2.975 -1.813 -5.096 295 HG21 VAL 40 1HG2 VAL 40 0.308 1.063 -3.694 296 HG22 VAL 40 2HG2 VAL 40 0.188 -0.643 -3.265 297 HG23 VAL 40 3HG2 VAL 40 1.223 0.432 -2.325 298 H ILE 41 H ILE 41 5.466 -0.511 -3.157 299 HA ILE 41 HA ILE 41 6.595 -0.262 -5.859 300 HB ILE 41 HB ILE 41 8.787 -0.721 -4.766 301 HG12 ILE 41 1HG1 ILE 41 7.136 -0.499 -2.241 302 HG13 ILE 41 2HG1 ILE 41 8.016 -1.918 -2.796 303 HG21 ILE 41 1HG2 ILE 41 9.127 1.480 -4.316 304 HG22 ILE 41 2HG2 ILE 41 7.536 1.605 -5.065 305 HG23 ILE 41 3HG2 ILE 41 7.686 1.612 -3.308 306 HD11 ILE 41 1HD1 ILE 41 9.829 -1.238 -1.736 307 HD12 ILE 41 2HD1 ILE 41 9.812 0.290 -2.617 308 HD13 ILE 41 3HD1 ILE 41 8.916 0.133 -1.106 309 H GLU 42 H GLU 42 5.992 -2.550 -3.244 310 HA GLU 42 HA GLU 42 6.403 -4.737 -5.168 311 HB2 GLU 42 1HB GLU 42 7.434 -4.503 -2.355 312 HB3 GLU 42 2HB GLU 42 7.157 -6.078 -3.085 313 HG2 GLU 42 1HG GLU 42 8.958 -3.945 -4.209 314 HG3 GLU 42 2HG GLU 42 9.491 -5.334 -3.264 315 H ASP 43 H ASP 43 5.404 -6.831 -4.287 316 HA ASP 43 HA ASP 43 2.714 -6.171 -3.325 317 HB2 ASP 43 1HB ASP 43 2.236 -8.566 -4.122 318 HB3 ASP 43 2HB ASP 43 2.561 -7.351 -5.355 319 H GLY 44 H GLY 44 5.359 -6.716 -1.787 320 HA2 GLY 44 1HA GLY 44 5.932 -7.651 0.228 321 HA3 GLY 44 2HA GLY 44 4.205 -7.780 0.527 322 H ASP 45 H ASP 45 5.666 -9.691 1.620 323 HA ASP 45 HA ASP 45 6.232 -11.930 -0.009 324 HB2 ASP 45 1HB ASP 45 5.798 -11.560 2.942 325 HB3 ASP 45 2HB ASP 45 6.019 -13.167 2.258 326 H MET 46 H MET 46 3.316 -10.740 1.460 327 HA MET 46 HA MET 46 1.889 -13.218 0.837 328 HB2 MET 46 1HB MET 46 1.676 -11.768 3.033 329 HB3 MET 46 2HB MET 46 0.551 -10.839 2.051 330 HG2 MET 46 1HG MET 46 -0.891 -12.311 3.001 331 HG3 MET 46 2HG MET 46 -0.456 -13.216 1.553 332 HE1 MET 46 1HE MET 46 -0.327 -14.259 5.750 333 HE2 MET 46 2HE MET 46 1.130 -13.272 5.619 334 HE3 MET 46 3HE MET 46 -0.422 -12.632 5.076 335 H GLU 47 H GLU 47 -0.068 -13.179 -0.400 336 HA GLU 47 HA GLU 47 0.120 -11.435 -2.684 337 HB2 GLU 47 1HB GLU 47 -1.867 -13.606 -1.996 338 HB3 GLU 47 2HB GLU 47 -1.808 -12.754 -3.533 339 HG2 GLU 47 1HG GLU 47 0.208 -13.741 -4.144 340 HG3 GLU 47 2HG GLU 47 0.581 -14.222 -2.490 341 H ASP 48 H ASP 48 -2.235 -12.008 -0.093 342 HA ASP 48 HA ASP 48 -4.138 -10.120 -0.951 343 HB2 ASP 48 1HB ASP 48 -3.585 -11.045 1.877 344 HB3 ASP 48 2HB ASP 48 -5.069 -10.293 1.297 345 H TRP 49 H TRP 49 -1.232 -9.833 0.983 346 HA TRP 49 HA TRP 49 -1.802 -7.014 1.521 347 HB2 TRP 49 1HB TRP 49 0.460 -8.766 2.507 348 HB3 TRP 49 2HB TRP 49 0.150 -7.107 3.013 349 HD1 TRP 49 HD TRP 49 -1.987 -10.363 2.916 350 HE1 TRP 49 1HE TRP 49 -3.263 -10.527 5.145 351 HE3 TRP 49 3HE TRP 49 -0.303 -6.075 5.132 352 HZ2 TRP 49 2HZ TRP 49 -3.522 -9.035 7.528 353 HZ3 TRP 49 3HZ TRP 49 -1.113 -5.515 7.386 354 HH2 TRP 49 HH TRP 49 -2.690 -6.966 8.558 355 H VAL 50 H VAL 50 0.353 -5.643 1.458 356 HA VAL 50 HA VAL 50 2.031 -6.270 -0.825 357 HB VAL 50 HB VAL 50 1.567 -4.001 -1.854 358 HG11 VAL 50 1HG1 VAL 50 -0.265 -4.809 -3.179 359 HG12 VAL 50 2HG1 VAL 50 0.784 -6.172 -2.783 360 HG13 VAL 50 3HG1 VAL 50 -0.736 -5.946 -1.916 361 HG21 VAL 50 1HG2 VAL 50 -1.124 -3.710 -1.136 362 HG22 VAL 50 2HG2 VAL 50 -0.240 -3.889 0.380 363 HG23 VAL 50 3HG2 VAL 50 0.211 -2.620 -0.759 364 H LYS 51 H LYS 51 3.563 -4.309 -1.227 365 HA LYS 51 HA LYS 51 4.419 -3.311 1.410 366 HB2 LYS 51 1HB LYS 51 5.864 -4.969 -0.053 367 HB3 LYS 51 2HB LYS 51 6.304 -3.494 -0.903 368 HG2 LYS 51 1HG LYS 51 7.047 -2.524 1.245 369 HG3 LYS 51 2HG LYS 51 6.697 -4.068 2.027 370 HD2 LYS 51 1HD LYS 51 8.250 -4.982 0.086 371 HD3 LYS 51 2HD LYS 51 8.880 -3.334 0.144 372 HE2 LYS 51 1HE LYS 51 9.156 -3.655 2.629 373 HE3 LYS 51 2HE LYS 51 8.789 -5.360 2.371 374 HZ1 LYS 51 1HZ LYS 51 10.945 -4.024 0.860 375 HZ2 LYS 51 2HZ LYS 51 10.729 -5.674 1.163 376 HZ3 LYS 51 3HZ LYS 51 11.225 -4.644 2.409 377 H ALA 52 H ALA 52 4.334 -1.190 1.707 378 HA ALA 52 HA ALA 52 4.623 0.590 -0.613 379 HB1 ALA 52 1HB ALA 52 2.337 0.424 1.274 380 HB2 ALA 52 2HB ALA 52 2.842 2.023 0.726 381 HB3 ALA 52 3HB ALA 52 2.360 0.799 -0.449 382 H ARG 53 H ARG 53 5.390 2.703 -0.125 383 HA ARG 53 HA ARG 53 6.693 2.904 2.511 384 HB2 ARG 53 1HB ARG 53 8.345 2.572 0.764 385 HB3 ARG 53 2HB ARG 53 7.661 3.892 -0.175 386 HG2 ARG 53 1HG ARG 53 8.218 5.347 1.877 387 HG3 ARG 53 2HG ARG 53 9.268 4.007 2.343 388 HD2 ARG 53 1HD ARG 53 10.083 4.242 -0.157 389 HD3 ARG 53 2HD ARG 53 9.479 5.886 0.045 390 HE ARG 53 HE ARG 53 11.149 5.163 2.214 391 HH11 ARG 53 2HH1 ARG 53 11.246 6.074 -1.144 392 HH12 ARG 53 1HH1 ARG 53 12.836 6.756 -1.049 393 HH21 ARG 53 2HH2 ARG 53 13.243 6.057 2.353 394 HH22 ARG 53 1HH2 ARG 53 13.971 6.745 0.941 395 H ASN 54 H ASN 54 5.917 4.479 3.736 396 HA ASN 54 HA ASN 54 4.216 6.522 2.639 397 HB2 ASN 54 1HB ASN 54 4.359 7.313 5.143 398 HB3 ASN 54 2HB ASN 54 3.448 5.866 4.720 399 HD21 ASN 54 1HD2 ASN 54 3.699 5.094 6.836 400 HD22 ASN 54 2HD2 ASN 54 5.193 4.413 7.375 401 H LYS 55 H LYS 55 4.604 8.823 3.725 402 HA LYS 55 HA LYS 55 6.691 10.037 2.386 403 HB2 LYS 55 1HB LYS 55 6.300 11.985 3.857 404 HB3 LYS 55 2HB LYS 55 4.805 11.303 3.232 405 HG2 LYS 55 1HG LYS 55 4.828 9.978 5.492 406 HG3 LYS 55 2HG LYS 55 5.879 11.299 6.006 407 HD2 LYS 55 1HD LYS 55 4.100 12.879 5.156 408 HD3 LYS 55 2HD LYS 55 3.050 11.470 4.988 409 HE2 LYS 55 1HE LYS 55 2.520 12.369 7.088 410 HE3 LYS 55 2HE LYS 55 3.571 10.998 7.437 411 HZ1 LYS 55 1HZ LYS 55 5.429 12.740 7.415 412 HZ2 LYS 55 2HZ LYS 55 4.408 12.684 8.762 413 HZ3 LYS 55 3HZ LYS 55 4.189 13.879 7.585 414 H VAL 56 H VAL 56 6.567 9.113 5.821 415 HA VAL 56 HA VAL 56 9.095 10.003 6.567 416 HB VAL 56 HB VAL 56 8.914 7.928 8.201 417 HG11 VAL 56 1HG1 VAL 56 8.291 10.579 8.346 418 HG12 VAL 56 2HG1 VAL 56 6.761 9.823 8.792 419 HG13 VAL 56 3HG1 VAL 56 8.227 9.449 9.698 420 HG21 VAL 56 1HG2 VAL 56 6.891 7.225 6.604 421 HG22 VAL 56 2HG2 VAL 56 6.926 6.839 8.324 422 HG23 VAL 56 3HG2 VAL 56 6.004 8.228 7.751 423 H GLY 57 H GLY 57 8.163 7.250 4.682 424 HA2 GLY 57 1HA GLY 57 9.764 6.207 3.229 425 HA3 GLY 57 2HA GLY 57 11.006 6.531 4.429 426 H GLN 58 H GLN 58 8.556 5.548 6.266 427 HA GLN 58 HA GLN 58 9.667 3.057 6.888 428 HB2 GLN 58 1HB GLN 58 7.130 4.464 7.565 429 HB3 GLN 58 2HB GLN 58 7.233 2.743 7.911 430 HG2 GLN 58 1HG GLN 58 9.030 3.044 9.400 431 HG3 GLN 58 2HG GLN 58 9.309 4.695 8.848 432 HE21 GLN 58 1HE2 GLN 58 8.865 3.745 11.540 433 HE22 GLN 58 2HE2 GLN 58 7.458 4.558 12.125 434 H VAL 59 H VAL 59 9.584 1.178 5.866 435 HA VAL 59 HA VAL 59 7.382 0.709 3.963 436 HB VAL 59 HB VAL 59 10.076 -0.640 3.879 437 HG11 VAL 59 1HG1 VAL 59 8.056 -1.653 2.735 438 HG12 VAL 59 2HG1 VAL 59 8.081 -0.252 1.662 439 HG13 VAL 59 3HG1 VAL 59 9.461 -1.350 1.714 440 HG21 VAL 59 1HG2 VAL 59 10.903 1.365 3.308 441 HG22 VAL 59 2HG2 VAL 59 10.080 1.094 1.773 442 HG23 VAL 59 3HG2 VAL 59 9.304 2.055 3.031 443 H GLY 60 H GLY 60 5.954 -0.754 4.612 444 HA2 GLY 60 1HA GLY 60 6.922 -3.122 6.063 445 HA3 GLY 60 2HA GLY 60 5.593 -2.188 6.735 446 H TYR 61 H TYR 61 4.133 -3.893 6.614 447 HA TYR 61 HA TYR 61 3.303 -4.604 3.877 448 HB2 TYR 61 1HB TYR 61 3.236 -6.349 6.347 449 HB3 TYR 61 2HB TYR 61 2.550 -6.787 4.787 450 HD1 TYR 61 2HD TYR 61 4.500 -6.116 2.835 451 HD2 TYR 61 1HD TYR 61 5.128 -7.591 6.776 452 HE1 TYR 61 2HE TYR 61 6.670 -7.040 2.137 453 HE2 TYR 61 1HE TYR 61 7.300 -8.519 6.089 454 HH TYR 61 HH TYR 61 8.410 -9.256 4.001 455 H VAL 62 H VAL 62 1.255 -4.168 3.366 456 HA VAL 62 HA VAL 62 -0.725 -3.845 5.505 457 HB VAL 62 HB VAL 62 -1.625 -1.816 4.413 458 HG11 VAL 62 1HG1 VAL 62 -0.372 -1.265 6.267 459 HG12 VAL 62 2HG1 VAL 62 1.129 -1.873 5.566 460 HG13 VAL 62 3HG1 VAL 62 0.449 -0.345 5.006 461 HG21 VAL 62 1HG2 VAL 62 0.433 -2.479 2.462 462 HG22 VAL 62 2HG2 VAL 62 -1.003 -1.470 2.294 463 HG23 VAL 62 3HG2 VAL 62 0.478 -0.789 2.966 464 HA PRO 63 HA PRO 63 -3.377 -6.108 2.832 465 HB2 PRO 63 1HB PRO 63 -5.798 -5.162 3.617 466 HB3 PRO 63 2HB PRO 63 -4.826 -6.255 4.609 467 HG2 PRO 63 1HG PRO 63 -5.111 -3.281 4.792 468 HG3 PRO 63 2HG PRO 63 -5.087 -4.484 6.094 469 HD2 PRO 63 1HD PRO 63 -2.923 -2.989 5.452 470 HD3 PRO 63 2HD PRO 63 -2.788 -4.647 6.071 471 H GLU 64 H GLU 64 -3.321 -5.641 0.713 472 HA GLU 64 HA GLU 64 -3.527 -3.199 -0.522 473 HB2 GLU 64 1HB GLU 64 -2.792 -5.096 -1.776 474 HB3 GLU 64 2HB GLU 64 -4.316 -5.934 -1.518 475 HG2 GLU 64 1HG GLU 64 -4.381 -3.322 -2.922 476 HG3 GLU 64 2HG GLU 64 -3.754 -4.722 -3.790 477 H LYS 65 H LYS 65 -6.068 -5.179 0.763 478 HA LYS 65 HA LYS 65 -8.266 -4.146 -0.632 479 HB2 LYS 65 1HB LYS 65 -8.017 -5.277 2.155 480 HB3 LYS 65 2HB LYS 65 -9.561 -4.825 1.444 481 HG2 LYS 65 1HG LYS 65 -9.399 -6.491 -0.215 482 HG3 LYS 65 2HG LYS 65 -7.694 -6.780 0.137 483 HD2 LYS 65 1HD LYS 65 -8.784 -8.574 1.157 484 HD3 LYS 65 2HD LYS 65 -8.503 -7.446 2.485 485 HE2 LYS 65 1HE LYS 65 -10.752 -6.740 2.491 486 HE3 LYS 65 2HE LYS 65 -11.070 -7.477 0.922 487 HZ1 LYS 65 1HZ LYS 65 -12.003 -8.984 2.357 488 HZ2 LYS 65 2HZ LYS 65 -10.835 -8.756 3.558 489 HZ3 LYS 65 3HZ LYS 65 -10.458 -9.648 2.170 490 H TYR 66 H TYR 66 -6.601 -2.995 2.261 491 HA TYR 66 HA TYR 66 -8.456 -0.878 2.770 492 HB2 TYR 66 1HB TYR 66 -5.707 -1.535 3.811 493 HB3 TYR 66 2HB TYR 66 -6.537 -0.052 4.269 494 HD1 TYR 66 1HD TYR 66 -7.594 -3.624 3.901 495 HD2 TYR 66 2HD TYR 66 -7.391 -0.188 6.402 496 HE1 TYR 66 1HE TYR 66 -8.790 -4.848 5.668 497 HE2 TYR 66 2HE TYR 66 -8.585 -1.403 8.177 498 HH TYR 66 HH TYR 66 -8.793 -4.308 8.599 499 H LEU 67 H LEU 67 -5.717 -1.287 0.723 500 HA LEU 67 HA LEU 67 -5.205 1.539 0.405 501 HB2 LEU 67 1HB LEU 67 -4.157 -0.898 -1.017 502 HB3 LEU 67 2HB LEU 67 -3.666 0.748 -1.412 503 HG LEU 67 HG LEU 67 -3.251 -0.562 1.274 504 HD11 LEU 67 1HD1 LEU 67 -1.671 -1.720 0.181 505 HD12 LEU 67 2HD1 LEU 67 -0.780 -0.199 0.220 506 HD13 LEU 67 3HD1 LEU 67 -1.701 -0.644 -1.217 507 HD21 LEU 67 1HD2 LEU 67 -1.709 1.334 1.621 508 HD22 LEU 67 2HD2 LEU 67 -3.386 1.844 1.425 509 HD23 LEU 67 3HD2 LEU 67 -2.246 2.023 0.089 510 H GLN 68 H GLN 68 -5.600 2.763 -1.454 511 HA GLN 68 HA GLN 68 -7.737 1.692 -3.172 512 HB2 GLN 68 1HB GLN 68 -8.231 3.693 -1.688 513 HB3 GLN 68 2HB GLN 68 -7.120 4.606 -2.700 514 HG2 GLN 68 1HG GLN 68 -8.507 4.435 -4.576 515 HG3 GLN 68 2HG GLN 68 -9.457 3.134 -3.860 516 HE21 GLN 68 1HE2 GLN 68 -8.495 6.452 -3.030 517 HE22 GLN 68 2HE2 GLN 68 -10.067 6.961 -2.526 518 H PHE 69 H PHE 69 -6.276 0.732 -4.647 519 HA PHE 69 HA PHE 69 -4.149 2.069 -5.897 520 HB2 PHE 69 1HB PHE 69 -5.820 -0.314 -6.640 521 HB3 PHE 69 2HB PHE 69 -4.608 0.310 -7.754 522 HD1 PHE 69 1HD PHE 69 -4.740 -0.313 -4.073 523 HD2 PHE 69 2HD PHE 69 -2.694 -0.941 -7.752 524 HE1 PHE 69 1HE PHE 69 -3.003 -1.587 -2.885 525 HE2 PHE 69 2HE PHE 69 -0.954 -2.217 -6.571 526 HZ PHE 69 HZ PHE 69 -1.107 -2.543 -4.134 527 HA PRO 70 HA PRO 70 -6.019 4.775 -8.802 528 HB2 PRO 70 1HB PRO 70 -4.253 4.643 -10.860 529 HB3 PRO 70 2HB PRO 70 -3.896 5.471 -9.340 530 HG2 PRO 70 1HG PRO 70 -3.085 2.734 -10.241 531 HG3 PRO 70 2HG PRO 70 -2.122 3.969 -9.409 532 HD2 PRO 70 1HD PRO 70 -3.221 1.860 -8.113 533 HD3 PRO 70 2HD PRO 70 -3.005 3.446 -7.345 534 H THR 71 H THR 71 -7.862 4.246 -9.794 535 HA THR 71 HA THR 71 -8.043 1.865 -11.443 536 HB THR 71 HB THR 71 -10.433 2.373 -11.602 537 HG1 THR 71 1HG THR 71 -11.105 4.237 -10.195 538 HG21 THR 71 1HG2 THR 71 -10.631 1.314 -9.653 539 HG22 THR 71 2HG2 THR 71 -10.378 2.835 -8.797 540 HG23 THR 71 3HG2 THR 71 -9.000 1.816 -9.211 541 H SER 72 H SER 72 -8.257 1.804 -13.624 542 HA SER 72 HA SER 72 -7.678 4.271 -15.063 543 HB2 SER 72 1HB SER 72 -7.610 1.355 -15.817 544 HB3 SER 72 2HB SER 72 -7.488 2.625 -17.034 545 HG SER 72 HG SER 72 -5.426 2.293 -16.494 546 H SER 73 H SER 73 -10.017 1.592 -15.241 547 HA SER 73 HA SER 73 -11.645 2.830 -17.206 548 HB2 SER 73 1HB SER 73 -11.668 0.403 -16.845 549 HB3 SER 73 2HB SER 73 -12.329 0.640 -15.227 550 HG SER 73 HG SER 73 -13.579 1.386 -17.667 551 H GLY 74 H GLY 74 -13.714 3.775 -16.981 552 HA2 GLY 74 1HA GLY 74 -14.554 4.562 -14.294 553 HA3 GLY 74 2HA GLY 74 -14.129 5.853 -15.407 554 HA PRO 75 HA PRO 75 -18.290 5.884 -16.803 555 HB2 PRO 75 1HB PRO 75 -17.942 6.973 -19.265 556 HB3 PRO 75 2HB PRO 75 -17.802 7.909 -17.772 557 HG2 PRO 75 1HG PRO 75 -15.644 6.722 -19.474 558 HG3 PRO 75 2HG PRO 75 -15.712 8.319 -18.705 559 HD2 PRO 75 1HD PRO 75 -14.300 6.258 -17.660 560 HD3 PRO 75 2HD PRO 75 -15.073 7.496 -16.649 561 H SER 76 H SER 76 -18.744 3.665 -16.973 562 HA SER 76 HA SER 76 -18.048 2.318 -19.473 563 HB2 SER 76 1HB SER 76 -18.913 0.285 -18.369 564 HB3 SER 76 2HB SER 76 -17.673 1.075 -17.395 565 HG SER 76 HG SER 76 -19.964 0.378 -16.533 566 H SER 77 H SER 77 -19.395 2.501 -21.125 567 HA SER 77 HA SER 77 -22.177 3.210 -20.693 568 HB2 SER 77 1HB SER 77 -22.270 3.718 -22.999 569 HB3 SER 77 2HB SER 77 -20.653 4.213 -22.501 570 HG SER 77 HG SER 77 -20.904 2.875 -24.495 571 H GLY 78 H GLY 78 -23.901 1.903 -20.974 572 HA2 GLY 78 1HA GLY 78 -24.639 -0.099 -22.408 573 HA3 GLY 78 2HA GLY 78 -23.321 -0.920 -21.585 Start of MODEL 6 1 H1 GLY 1 H GLY 1 13.157 -19.030 -6.851 2 HA2 GLY 1 1HA GLY 1 12.266 -20.148 -8.963 3 HA3 GLY 1 2HA GLY 1 11.319 -20.431 -7.509 4 H SER 2 H SER 2 9.386 -20.706 -8.613 5 HA SER 2 HA SER 2 8.377 -18.353 -10.064 6 HB2 SER 2 1HB SER 2 8.467 -20.630 -11.222 7 HB3 SER 2 2HB SER 2 7.170 -21.119 -10.132 8 HG SER 2 HG SER 2 6.151 -20.351 -11.904 9 H SER 3 H SER 3 6.846 -17.159 -9.154 10 HA SER 3 HA SER 3 5.416 -18.260 -6.829 11 HB2 SER 3 1HB SER 3 6.073 -15.399 -7.562 12 HB3 SER 3 2HB SER 3 5.044 -15.858 -6.205 13 HG SER 3 HG SER 3 7.804 -16.177 -6.543 14 H GLY 4 H GLY 4 3.737 -19.242 -7.982 15 HA2 GLY 4 1HA GLY 4 1.489 -19.152 -8.596 16 HA3 GLY 4 2HA GLY 4 1.632 -17.409 -8.771 17 H SER 5 H SER 5 0.372 -17.724 -10.730 18 HA SER 5 HA SER 5 1.915 -18.856 -12.961 19 HB2 SER 5 1HB SER 5 -1.032 -18.181 -12.781 20 HB3 SER 5 2HB SER 5 -0.231 -18.872 -14.192 21 HG SER 5 HG SER 5 -0.535 -20.050 -11.630 22 H SER 6 H SER 6 2.639 -17.606 -14.581 23 HA SER 6 HA SER 6 2.718 -14.795 -14.268 24 HB2 SER 6 1HB SER 6 3.618 -16.720 -16.374 25 HB3 SER 6 2HB SER 6 3.578 -14.999 -16.757 26 HG SER 6 HG SER 6 5.528 -16.159 -15.631 27 H GLY 7 H GLY 7 1.189 -13.365 -14.722 28 HA2 GLY 7 1HA GLY 7 -0.304 -13.485 -17.176 29 HA3 GLY 7 2HA GLY 7 -1.289 -13.834 -15.763 30 H THR 8 H THR 8 -1.756 -12.198 -14.292 31 HA THR 8 HA THR 8 -1.452 -9.506 -15.382 32 HB THR 8 HB THR 8 -3.135 -8.845 -13.701 33 HG1 THR 8 1HG THR 8 -2.409 -10.846 -12.356 34 HG21 THR 8 1HG2 THR 8 -5.031 -10.048 -14.666 35 HG22 THR 8 2HG2 THR 8 -3.937 -11.273 -15.310 36 HG23 THR 8 3HG2 THR 8 -3.862 -9.618 -15.914 37 H LEU 9 H LEU 9 0.076 -8.189 -14.661 38 HA LEU 9 HA LEU 9 0.919 -8.379 -11.856 39 HB2 LEU 9 1HB LEU 9 2.643 -8.482 -14.299 40 HB3 LEU 9 2HB LEU 9 3.271 -7.806 -12.797 41 HG LEU 9 HG LEU 9 2.482 -10.095 -11.792 42 HD11 LEU 9 1HD1 LEU 9 1.825 -10.477 -14.483 43 HD12 LEU 9 2HD1 LEU 9 1.844 -11.686 -13.199 44 HD13 LEU 9 3HD1 LEU 9 3.274 -11.443 -14.202 45 HD21 LEU 9 1HD2 LEU 9 4.701 -9.945 -11.533 46 HD22 LEU 9 2HD2 LEU 9 4.936 -9.224 -13.126 47 HD23 LEU 9 3HD2 LEU 9 4.785 -10.974 -12.963 48 H ARG 10 H ARG 10 0.309 -6.491 -11.021 49 HA ARG 10 HA ARG 10 -0.305 -4.150 -12.270 50 HB2 ARG 10 1HB ARG 10 1.060 -4.349 -9.580 51 HB3 ARG 10 2HB ARG 10 0.062 -3.017 -10.148 52 HG2 ARG 10 1HG ARG 10 -1.781 -4.817 -10.385 53 HG3 ARG 10 2HG ARG 10 -0.755 -5.763 -9.304 54 HD2 ARG 10 1HD ARG 10 -1.101 -4.365 -7.531 55 HD3 ARG 10 2HD ARG 10 -1.346 -2.951 -8.554 56 HE ARG 10 HE ARG 10 -3.352 -4.744 -7.589 57 HH11 ARG 10 2HH1 ARG 10 -2.502 -2.607 -10.203 58 HH12 ARG 10 1HH1 ARG 10 -4.145 -2.302 -10.661 59 HH21 ARG 10 2HH2 ARG 10 -5.519 -4.350 -8.182 60 HH22 ARG 10 1HH2 ARG 10 -5.860 -3.293 -9.510 61 H ASN 11 H ASN 11 0.793 -2.122 -12.531 62 HA ASN 11 HA ASN 11 3.578 -2.494 -13.334 63 HB2 ASN 11 1HB ASN 11 3.320 -0.472 -14.627 64 HB3 ASN 11 2HB ASN 11 1.933 -1.512 -14.938 65 HD21 ASN 11 1HD2 ASN 11 2.728 1.560 -14.590 66 HD22 ASN 11 2HD2 ASN 11 1.294 2.195 -13.864 67 H TYR 12 H TYR 12 4.385 -2.506 -11.146 68 HA TYR 12 HA TYR 12 4.081 -0.196 -9.478 69 HB2 TYR 12 1HB TYR 12 6.088 -2.452 -9.284 70 HB3 TYR 12 2HB TYR 12 5.713 -1.287 -8.019 71 HD1 TYR 12 2HD TYR 12 2.768 -1.196 -8.161 72 HD2 TYR 12 1HD TYR 12 5.426 -4.509 -8.411 73 HE1 TYR 12 2HE TYR 12 0.993 -2.676 -7.320 74 HE2 TYR 12 1HE TYR 12 3.658 -5.998 -7.572 75 HH TYR 12 HH TYR 12 0.942 -5.845 -7.631 76 HA PRO 13 HA PRO 13 5.441 0.667 -7.773 77 HB2 PRO 13 1HB PRO 13 5.618 3.355 -7.439 78 HB3 PRO 13 2HB PRO 13 6.968 2.258 -7.129 79 HG2 PRO 13 1HG PRO 13 6.417 3.950 -9.537 80 HG3 PRO 13 2HG PRO 13 7.950 3.678 -8.687 81 HD2 PRO 13 1HD PRO 13 7.310 2.396 -10.985 82 HD3 PRO 13 2HD PRO 13 8.307 1.649 -9.720 83 H LEU 14 H LEU 14 3.530 1.802 -6.911 84 HA LEU 14 HA LEU 14 1.816 3.105 -8.870 85 HB2 LEU 14 1HB LEU 14 1.213 0.470 -7.570 86 HB3 LEU 14 2HB LEU 14 -0.076 1.542 -8.113 87 HG LEU 14 HG LEU 14 2.072 0.401 -9.899 88 HD11 LEU 14 1HD1 LEU 14 0.704 -1.405 -9.135 89 HD12 LEU 14 2HD1 LEU 14 0.215 -1.003 -10.781 90 HD13 LEU 14 3HD1 LEU 14 -0.769 -0.476 -9.415 91 HD21 LEU 14 1HD2 LEU 14 0.484 2.613 -10.279 92 HD22 LEU 14 2HD2 LEU 14 -0.425 1.330 -11.078 93 HD23 LEU 14 3HD2 LEU 14 1.244 1.655 -11.550 94 H THR 15 H THR 15 1.275 4.914 -7.851 95 HA THR 15 HA THR 15 1.243 5.198 -5.028 96 HB THR 15 HB THR 15 -0.120 7.072 -6.955 97 HG1 THR 15 1HG THR 15 1.777 7.427 -7.804 98 HG21 THR 15 1HG2 THR 15 1.416 7.675 -4.433 99 HG22 THR 15 2HG2 THR 15 -0.324 7.383 -4.456 100 HG23 THR 15 3HG2 THR 15 0.353 8.751 -5.340 101 H CYS 16 H CYS 16 -0.349 4.932 -3.587 102 HA CYS 16 HA CYS 16 -3.083 4.519 -4.600 103 HB2 CYS 16 1HB CYS 16 -3.365 2.905 -2.675 104 HB3 CYS 16 2HB CYS 16 -2.299 2.361 -3.965 105 HG CYS 16 HG CYS 16 -0.648 1.552 -2.147 106 H LYS 17 H LYS 17 -4.733 4.727 -2.775 107 HA LYS 17 HA LYS 17 -3.945 6.880 -0.929 108 HB2 LYS 17 1HB LYS 17 -5.295 7.623 -2.970 109 HB3 LYS 17 2HB LYS 17 -6.644 6.743 -2.264 110 HG2 LYS 17 1HG LYS 17 -5.205 8.768 -0.618 111 HG3 LYS 17 2HG LYS 17 -6.360 9.300 -1.843 112 HD2 LYS 17 1HD LYS 17 -7.924 7.534 -0.730 113 HD3 LYS 17 2HD LYS 17 -6.825 7.699 0.641 114 HE2 LYS 17 1HE LYS 17 -7.341 9.966 0.924 115 HE3 LYS 17 2HE LYS 17 -8.052 10.096 -0.684 116 HZ1 LYS 17 1HZ LYS 17 -9.793 8.501 0.144 117 HZ2 LYS 17 2HZ LYS 17 -9.837 10.051 0.820 118 HZ3 LYS 17 3HZ LYS 17 -9.188 8.762 1.702 119 H VAL 18 H VAL 18 -4.019 5.989 1.033 120 HA VAL 18 HA VAL 18 -5.535 3.758 1.780 121 HB VAL 18 HB VAL 18 -4.390 5.949 3.516 122 HG11 VAL 18 1HG1 VAL 18 -5.675 5.025 5.108 123 HG12 VAL 18 2HG1 VAL 18 -5.981 3.571 4.156 124 HG13 VAL 18 3HG1 VAL 18 -4.485 3.724 5.078 125 HG21 VAL 18 1HG2 VAL 18 -2.511 5.013 2.649 126 HG22 VAL 18 2HG2 VAL 18 -2.799 3.854 3.946 127 HG23 VAL 18 3HG2 VAL 18 -3.303 3.476 2.299 128 H VAL 19 H VAL 19 -7.687 3.683 1.678 129 HA VAL 19 HA VAL 19 -9.273 6.034 2.364 130 HB VAL 19 HB VAL 19 -11.196 4.428 1.694 131 HG11 VAL 19 1HG1 VAL 19 -10.073 4.752 -0.826 132 HG12 VAL 19 2HG1 VAL 19 -11.109 5.900 0.025 133 HG13 VAL 19 3HG1 VAL 19 -9.354 6.035 0.148 134 HG21 VAL 19 1HG2 VAL 19 -10.714 2.503 0.521 135 HG22 VAL 19 2HG2 VAL 19 -9.077 3.025 0.125 136 HG23 VAL 19 3HG2 VAL 19 -9.458 2.480 1.758 137 H TYR 20 H TYR 20 -8.360 2.956 3.653 138 HA TYR 20 HA TYR 20 -10.189 3.386 5.925 139 HB2 TYR 20 1HB TYR 20 -9.361 0.863 4.529 140 HB3 TYR 20 2HB TYR 20 -9.843 0.817 6.221 141 HD1 TYR 20 2HD TYR 20 -11.098 2.389 3.062 142 HD2 TYR 20 1HD TYR 20 -12.026 0.202 6.592 143 HE1 TYR 20 2HE TYR 20 -13.460 2.304 2.381 144 HE2 TYR 20 1HE TYR 20 -14.390 0.109 5.920 145 HH TYR 20 HH TYR 20 -15.892 0.660 4.385 146 H SER 21 H SER 21 -9.256 3.702 7.833 147 HA SER 21 HA SER 21 -6.437 3.794 8.110 148 HB2 SER 21 1HB SER 21 -8.505 3.794 10.320 149 HB3 SER 21 2HB SER 21 -6.854 4.407 10.416 150 HG SER 21 HG SER 21 -8.787 5.891 9.940 151 H TYR 22 H TYR 22 -5.034 2.479 9.261 152 HA TYR 22 HA TYR 22 -6.009 0.032 10.470 153 HB2 TYR 22 1HB TYR 22 -5.799 -0.539 8.068 154 HB3 TYR 22 2HB TYR 22 -4.103 -0.071 8.122 155 HD1 TYR 22 1HD TYR 22 -2.478 -1.438 9.370 156 HD2 TYR 22 2HD TYR 22 -6.540 -2.639 8.964 157 HE1 TYR 22 1HE TYR 22 -1.866 -3.719 10.059 158 HE2 TYR 22 2HE TYR 22 -5.939 -4.923 9.652 159 HH TYR 22 HH TYR 22 -2.595 -5.764 10.510 160 H LYS 23 H LYS 23 -4.976 -0.018 12.343 161 HA LYS 23 HA LYS 23 -2.399 1.257 12.668 162 HB2 LYS 23 1HB LYS 23 -4.440 0.066 14.491 163 HB3 LYS 23 2HB LYS 23 -2.787 0.212 15.073 164 HG2 LYS 23 1HG LYS 23 -4.357 2.516 13.946 165 HG3 LYS 23 2HG LYS 23 -4.303 2.111 15.663 166 HD2 LYS 23 1HD LYS 23 -1.890 2.417 15.679 167 HD3 LYS 23 2HD LYS 23 -1.904 2.751 13.946 168 HE2 LYS 23 1HE LYS 23 -3.535 4.647 14.534 169 HE3 LYS 23 2HE LYS 23 -2.987 4.417 16.194 170 HZ1 LYS 23 1HZ LYS 23 -1.539 5.479 13.889 171 HZ2 LYS 23 2HZ LYS 23 -0.653 4.587 15.020 172 HZ3 LYS 23 3HZ LYS 23 -1.500 5.968 15.508 173 H ALA 24 H ALA 24 -0.500 0.267 12.516 174 HA ALA 24 HA ALA 24 -0.385 -2.590 12.104 175 HB1 ALA 24 1HB ALA 24 0.998 -1.319 10.673 176 HB2 ALA 24 2HB ALA 24 1.692 -0.417 12.021 177 HB3 ALA 24 3HB ALA 24 2.081 -2.124 11.809 178 H SER 25 H SER 25 -0.270 -3.971 13.738 179 HA SER 25 HA SER 25 0.572 -3.114 16.364 180 HB2 SER 25 1HB SER 25 -1.303 -4.604 16.290 181 HB3 SER 25 2HB SER 25 -0.423 -5.759 15.290 182 HG SER 25 HG SER 25 -0.200 -6.589 17.268 183 H GLN 26 H GLN 26 1.765 -5.247 13.817 184 HA GLN 26 HA GLN 26 4.155 -5.851 15.381 185 HB2 GLN 26 1HB GLN 26 2.893 -6.991 12.928 186 HB3 GLN 26 2HB GLN 26 4.625 -7.198 13.152 187 HG2 GLN 26 1HG GLN 26 4.114 -8.167 15.410 188 HG3 GLN 26 2HG GLN 26 2.414 -8.152 14.947 189 HE21 GLN 26 1HE2 GLN 26 3.978 -10.438 15.618 190 HE22 GLN 26 2HE2 GLN 26 4.019 -11.461 14.227 191 HA PRO 27 HA PRO 27 6.818 -3.025 13.341 192 HB2 PRO 27 1HB PRO 27 9.103 -4.470 13.086 193 HB3 PRO 27 2HB PRO 27 8.526 -3.852 14.638 194 HG2 PRO 27 1HG PRO 27 8.257 -6.597 13.473 195 HG3 PRO 27 2HG PRO 27 8.667 -6.120 15.131 196 HD2 PRO 27 1HD PRO 27 6.183 -6.928 14.420 197 HD3 PRO 27 2HD PRO 27 6.467 -5.727 15.696 198 H ASP 28 H ASP 28 6.648 -6.251 11.902 199 HA ASP 28 HA ASP 28 7.803 -5.584 9.415 200 HB2 ASP 28 1HB ASP 28 6.487 -7.654 8.631 201 HB3 ASP 28 2HB ASP 28 7.701 -7.881 9.888 202 H GLU 29 H GLU 29 4.724 -4.930 10.769 203 HA GLU 29 HA GLU 29 3.400 -4.550 8.222 204 HB2 GLU 29 1HB GLU 29 2.597 -4.293 11.094 205 HB3 GLU 29 2HB GLU 29 1.623 -3.513 9.855 206 HG2 GLU 29 1HG GLU 29 2.341 -6.411 9.655 207 HG3 GLU 29 2HG GLU 29 0.977 -5.870 10.632 208 H LEU 30 H LEU 30 2.083 -2.371 8.113 209 HA LEU 30 HA LEU 30 3.901 -0.145 8.745 210 HB2 LEU 30 1HB LEU 30 3.738 -1.056 6.273 211 HB3 LEU 30 2HB LEU 30 2.276 -0.072 6.253 212 HG LEU 30 HG LEU 30 4.299 1.044 5.314 213 HD11 LEU 30 1HD1 LEU 30 3.974 3.000 7.216 214 HD12 LEU 30 2HD1 LEU 30 2.483 2.067 7.345 215 HD13 LEU 30 3HD1 LEU 30 2.957 2.759 5.794 216 HD21 LEU 30 1HD2 LEU 30 6.215 1.234 6.439 217 HD22 LEU 30 2HD2 LEU 30 5.565 0.013 7.533 218 HD23 LEU 30 3HD2 LEU 30 5.394 1.726 7.920 219 H THR 31 H THR 31 2.922 1.253 10.035 220 HA THR 31 HA THR 31 0.136 1.239 10.535 221 HB THR 31 HB THR 31 2.032 3.489 11.210 222 HG1 THR 31 1HG THR 31 2.890 2.242 12.701 223 HG21 THR 31 1HG2 THR 31 -0.715 2.761 11.941 224 HG22 THR 31 2HG2 THR 31 0.102 4.323 12.014 225 HG23 THR 31 3HG2 THR 31 0.324 3.149 13.312 226 H ILE 32 H ILE 32 -1.379 1.965 9.202 227 HA ILE 32 HA ILE 32 -0.795 4.357 7.580 228 HB ILE 32 HB ILE 32 -2.423 3.541 5.938 229 HG12 ILE 32 1HG1 ILE 32 -2.496 1.030 7.626 230 HG13 ILE 32 2HG1 ILE 32 -3.800 2.207 7.508 231 HG21 ILE 32 1HG2 ILE 32 -0.144 1.707 6.634 232 HG22 ILE 32 2HG2 ILE 32 -1.089 1.541 5.155 233 HG23 ILE 32 3HG2 ILE 32 -0.171 3.016 5.453 234 HD11 ILE 32 1HD1 ILE 32 -3.872 1.728 5.050 235 HD12 ILE 32 2HD1 ILE 32 -2.756 0.396 5.353 236 HD13 ILE 32 3HD1 ILE 32 -4.354 0.394 6.098 237 H GLU 33 H GLU 33 -2.743 5.646 7.006 238 HA GLU 33 HA GLU 33 -5.031 5.413 8.759 239 HB2 GLU 33 1HB GLU 33 -2.903 7.452 9.151 240 HB3 GLU 33 2HB GLU 33 -4.569 7.989 9.311 241 HG2 GLU 33 1HG GLU 33 -4.868 6.039 10.922 242 HG3 GLU 33 2HG GLU 33 -3.109 5.932 10.929 243 H GLU 34 H GLU 34 -6.834 6.327 7.904 244 HA GLU 34 HA GLU 34 -7.211 6.758 5.287 245 HB2 GLU 34 1HB GLU 34 -8.926 6.842 7.192 246 HB3 GLU 34 2HB GLU 34 -8.574 8.563 7.276 247 HG2 GLU 34 1HG GLU 34 -9.328 8.887 5.023 248 HG3 GLU 34 2HG GLU 34 -9.527 7.150 4.797 249 H HIS 35 H HIS 35 -7.062 8.391 3.788 250 HA HIS 35 HA HIS 35 -6.368 10.329 2.806 251 HB2 HIS 35 1HB HIS 35 -5.976 11.478 5.569 252 HB3 HIS 35 2HB HIS 35 -6.250 12.352 4.065 253 HD1 HIS 35 1HD HIS 35 -8.004 12.335 6.814 254 HD2 HIS 35 2HD HIS 35 -8.951 10.602 3.159 255 HE1 HIS 35 1HE HIS 35 -10.511 12.132 6.795 256 HE2 HIS 35 2HE HIS 35 -11.054 11.002 4.611 257 H GLU 36 H GLU 36 -4.556 8.310 3.081 258 HA GLU 36 HA GLU 36 -2.053 9.806 3.420 259 HB2 GLU 36 1HB GLU 36 -2.524 8.318 5.408 260 HB3 GLU 36 2HB GLU 36 -2.389 6.944 4.319 261 HG2 GLU 36 1HG GLU 36 -0.097 7.479 3.842 262 HG3 GLU 36 2HG GLU 36 -0.210 8.967 4.779 263 H VAL 37 H VAL 37 -1.278 9.926 1.415 264 HA VAL 37 HA VAL 37 -1.732 7.817 -0.511 265 HB VAL 37 HB VAL 37 -0.145 10.376 -0.767 266 HG11 VAL 37 1HG1 VAL 37 -1.120 9.301 -3.241 267 HG12 VAL 37 2HG1 VAL 37 0.536 9.684 -2.765 268 HG13 VAL 37 3HG1 VAL 37 -0.142 8.095 -2.405 269 HG21 VAL 37 1HG2 VAL 37 -2.982 9.657 -1.461 270 HG22 VAL 37 2HG2 VAL 37 -2.407 10.965 -0.427 271 HG23 VAL 37 3HG2 VAL 37 -2.150 11.042 -2.170 272 H LEU 38 H LEU 38 -0.462 6.103 -0.693 273 HA LEU 38 HA LEU 38 2.344 6.326 0.174 274 HB2 LEU 38 1HB LEU 38 0.673 3.828 -0.044 275 HB3 LEU 38 2HB LEU 38 2.299 3.958 0.624 276 HG LEU 38 HG LEU 38 0.008 5.443 1.862 277 HD11 LEU 38 1HD1 LEU 38 0.755 2.861 3.054 278 HD12 LEU 38 2HD1 LEU 38 -0.157 2.767 1.548 279 HD13 LEU 38 3HD1 LEU 38 -0.820 3.645 2.927 280 HD21 LEU 38 1HD2 LEU 38 2.596 4.341 2.953 281 HD22 LEU 38 2HD2 LEU 38 1.399 5.269 3.857 282 HD23 LEU 38 3HD2 LEU 38 2.286 6.026 2.533 283 H GLU 39 H GLU 39 3.597 4.322 -0.938 284 HA GLU 39 HA GLU 39 3.000 4.391 -3.817 285 HB2 GLU 39 1HB GLU 39 4.868 5.986 -3.057 286 HB3 GLU 39 2HB GLU 39 5.814 4.535 -2.758 287 HG2 GLU 39 1HG GLU 39 5.849 3.952 -5.024 288 HG3 GLU 39 2HG GLU 39 4.537 5.062 -5.417 289 H VAL 40 H VAL 40 2.368 2.332 -4.125 290 HA VAL 40 HA VAL 40 3.447 0.095 -2.757 291 HB VAL 40 HB VAL 40 1.891 0.163 -5.347 292 HG11 VAL 40 1HG1 VAL 40 3.269 -1.957 -4.247 293 HG12 VAL 40 2HG1 VAL 40 1.620 -2.193 -3.665 294 HG13 VAL 40 3HG1 VAL 40 1.937 -2.067 -5.396 295 HG21 VAL 40 1HG2 VAL 40 1.100 0.250 -2.479 296 HG22 VAL 40 2HG2 VAL 40 0.396 1.074 -3.870 297 HG23 VAL 40 3HG2 VAL 40 0.080 -0.641 -3.608 298 H ILE 41 H ILE 41 5.542 -0.403 -2.974 299 HA ILE 41 HA ILE 41 6.798 -0.253 -5.612 300 HB ILE 41 HB ILE 41 8.914 -0.713 -4.372 301 HG12 ILE 41 1HG1 ILE 41 7.162 -0.376 -1.928 302 HG13 ILE 41 2HG1 ILE 41 7.877 -1.895 -2.457 303 HG21 ILE 41 1HG2 ILE 41 8.530 1.539 -4.858 304 HG22 ILE 41 2HG2 ILE 41 7.211 1.659 -3.695 305 HG23 ILE 41 3HG2 ILE 41 8.876 1.527 -3.129 306 HD11 ILE 41 1HD1 ILE 41 9.127 0.436 -1.136 307 HD12 ILE 41 2HD1 ILE 41 9.413 -1.290 -0.910 308 HD13 ILE 41 3HD1 ILE 41 10.098 -0.457 -2.306 309 H GLU 42 H GLU 42 5.973 -2.555 -3.082 310 HA GLU 42 HA GLU 42 6.587 -4.731 -4.965 311 HB2 GLU 42 1HB GLU 42 7.306 -4.513 -2.055 312 HB3 GLU 42 2HB GLU 42 7.115 -6.083 -2.821 313 HG2 GLU 42 1HG GLU 42 8.799 -5.279 -4.542 314 HG3 GLU 42 2HG GLU 42 9.127 -3.947 -3.436 315 H ASP 43 H ASP 43 5.493 -6.825 -4.234 316 HA ASP 43 HA ASP 43 2.714 -6.175 -3.574 317 HB2 ASP 43 1HB ASP 43 2.496 -8.704 -4.336 318 HB3 ASP 43 2HB ASP 43 2.615 -7.401 -5.516 319 H GLY 44 H GLY 44 4.820 -6.350 -1.541 320 HA2 GLY 44 1HA GLY 44 5.200 -7.292 0.521 321 HA3 GLY 44 2HA GLY 44 3.470 -7.603 0.508 322 H ASP 45 H ASP 45 4.654 -9.392 1.896 323 HA ASP 45 HA ASP 45 5.815 -11.554 0.434 324 HB2 ASP 45 1HB ASP 45 6.089 -10.965 2.940 325 HB3 ASP 45 2HB ASP 45 4.569 -11.829 3.158 326 H MET 46 H MET 46 2.591 -10.817 1.657 327 HA MET 46 HA MET 46 1.571 -13.331 0.561 328 HB2 MET 46 1HB MET 46 0.330 -11.236 2.343 329 HB3 MET 46 2HB MET 46 -0.578 -12.586 1.675 330 HG2 MET 46 1HG MET 46 0.819 -14.162 2.841 331 HG3 MET 46 2HG MET 46 1.854 -12.860 3.424 332 HE1 MET 46 1HE MET 46 -1.652 -14.600 3.688 333 HE2 MET 46 2HE MET 46 -2.524 -13.487 4.743 334 HE3 MET 46 3HE MET 46 -2.066 -12.983 3.115 335 H GLU 47 H GLU 47 0.222 -13.444 -1.164 336 HA GLU 47 HA GLU 47 0.261 -11.510 -3.135 337 HB2 GLU 47 1HB GLU 47 -1.625 -12.738 -4.164 338 HB3 GLU 47 2HB GLU 47 -0.335 -13.803 -3.624 339 HG2 GLU 47 1HG GLU 47 -2.120 -14.960 -2.846 340 HG3 GLU 47 2HG GLU 47 -1.822 -13.927 -1.449 341 H ASP 48 H ASP 48 -2.206 -12.087 -0.660 342 HA ASP 48 HA ASP 48 -4.005 -10.096 -1.561 343 HB2 ASP 48 1HB ASP 48 -4.995 -11.662 -0.153 344 HB3 ASP 48 2HB ASP 48 -3.659 -11.622 0.995 345 H TRP 49 H TRP 49 -1.218 -10.042 0.548 346 HA TRP 49 HA TRP 49 -1.744 -7.300 1.370 347 HB2 TRP 49 1HB TRP 49 0.495 -9.216 2.049 348 HB3 TRP 49 2HB TRP 49 0.374 -7.576 2.678 349 HD1 TRP 49 HD TRP 49 -1.662 -10.875 2.732 350 HE1 TRP 49 1HE TRP 49 -2.941 -10.979 4.964 351 HE3 TRP 49 3HE TRP 49 -0.376 -6.301 4.620 352 HZ2 TRP 49 2HZ TRP 49 -3.351 -9.340 7.225 353 HZ3 TRP 49 3HZ TRP 49 -1.254 -5.645 6.823 354 HH2 TRP 49 HH TRP 49 -2.711 -7.134 8.097 355 H VAL 50 H VAL 50 0.202 -5.775 1.289 356 HA VAL 50 HA VAL 50 1.924 -6.130 -1.022 357 HB VAL 50 HB VAL 50 1.273 -3.988 -2.051 358 HG11 VAL 50 1HG1 VAL 50 0.327 -6.168 -2.806 359 HG12 VAL 50 2HG1 VAL 50 -1.092 -5.841 -1.808 360 HG13 VAL 50 3HG1 VAL 50 -0.698 -4.776 -3.159 361 HG21 VAL 50 1HG2 VAL 50 0.217 -3.204 0.192 362 HG22 VAL 50 2HG2 VAL 50 -0.491 -2.674 -1.334 363 HG23 VAL 50 3HG2 VAL 50 -1.237 -3.989 -0.426 364 H LYS 51 H LYS 51 3.601 -4.513 -1.163 365 HA LYS 51 HA LYS 51 4.218 -3.370 1.468 366 HB2 LYS 51 1HB LYS 51 5.766 -4.975 0.033 367 HB3 LYS 51 2HB LYS 51 6.221 -3.464 -0.744 368 HG2 LYS 51 1HG LYS 51 7.059 -2.567 1.274 369 HG3 LYS 51 2HG LYS 51 6.326 -3.855 2.233 370 HD2 LYS 51 1HD LYS 51 7.838 -5.368 0.662 371 HD3 LYS 51 2HD LYS 51 8.788 -3.883 0.568 372 HE2 LYS 51 1HE LYS 51 9.054 -3.826 2.945 373 HE3 LYS 51 2HE LYS 51 7.917 -5.157 3.156 374 HZ1 LYS 51 1HZ LYS 51 9.432 -6.674 2.239 375 HZ2 LYS 51 2HZ LYS 51 10.353 -5.728 3.296 376 HZ3 LYS 51 3HZ LYS 51 10.435 -5.456 1.628 377 H ALA 52 H ALA 52 4.384 -1.231 1.790 378 HA ALA 52 HA ALA 52 4.604 0.561 -0.512 379 HB1 ALA 52 1HB ALA 52 2.330 0.738 -0.381 380 HB2 ALA 52 2HB ALA 52 2.291 0.394 1.349 381 HB3 ALA 52 3HB ALA 52 2.796 1.984 0.777 382 H ARG 53 H ARG 53 5.207 2.753 0.074 383 HA ARG 53 HA ARG 53 6.553 2.887 2.693 384 HB2 ARG 53 1HB ARG 53 8.207 2.685 0.936 385 HB3 ARG 53 2HB ARG 53 7.460 3.997 0.034 386 HG2 ARG 53 1HG ARG 53 7.972 5.442 2.086 387 HG3 ARG 53 2HG ARG 53 9.048 4.129 2.568 388 HD2 ARG 53 1HD ARG 53 10.350 5.737 1.380 389 HD3 ARG 53 2HD ARG 53 10.157 4.327 0.339 390 HE ARG 53 HE ARG 53 8.957 5.612 -1.134 391 HH11 ARG 53 2HH1 ARG 53 9.284 7.311 1.887 392 HH12 ARG 53 1HH1 ARG 53 8.645 8.798 1.270 393 HH21 ARG 53 2HH2 ARG 53 8.114 7.565 -1.959 394 HH22 ARG 53 1HH2 ARG 53 7.979 8.942 -0.917 395 H ASN 54 H ASN 54 6.086 4.580 3.956 396 HA ASN 54 HA ASN 54 4.175 6.540 2.971 397 HB2 ASN 54 1HB ASN 54 4.361 7.260 5.494 398 HB3 ASN 54 2HB ASN 54 3.470 5.808 5.048 399 HD21 ASN 54 1HD2 ASN 54 3.912 5.371 7.366 400 HD22 ASN 54 2HD2 ASN 54 5.381 4.552 7.760 401 H LYS 55 H LYS 55 4.528 8.822 4.063 402 HA LYS 55 HA LYS 55 6.649 10.055 2.749 403 HB2 LYS 55 1HB LYS 55 6.122 12.036 4.143 404 HB3 LYS 55 2HB LYS 55 4.693 11.308 3.422 405 HG2 LYS 55 1HG LYS 55 4.286 10.138 5.586 406 HG3 LYS 55 2HG LYS 55 5.615 11.073 6.276 407 HD2 LYS 55 1HD LYS 55 4.431 13.149 5.707 408 HD3 LYS 55 2HD LYS 55 3.096 12.199 5.049 409 HE2 LYS 55 1HE LYS 55 2.702 11.216 7.244 410 HE3 LYS 55 2HE LYS 55 4.063 12.120 7.907 411 HZ1 LYS 55 1HZ LYS 55 1.576 12.978 8.057 412 HZ2 LYS 55 2HZ LYS 55 1.986 13.663 6.566 413 HZ3 LYS 55 3HZ LYS 55 2.892 14.036 7.945 414 H VAL 56 H VAL 56 6.401 8.868 6.058 415 HA VAL 56 HA VAL 56 8.794 9.981 7.041 416 HB VAL 56 HB VAL 56 8.675 7.970 8.663 417 HG11 VAL 56 1HG1 VAL 56 7.775 10.400 8.892 418 HG12 VAL 56 2HG1 VAL 56 6.194 9.636 8.712 419 HG13 VAL 56 3HG1 VAL 56 7.257 9.166 10.040 420 HG21 VAL 56 1HG2 VAL 56 7.065 6.435 8.442 421 HG22 VAL 56 2HG2 VAL 56 5.841 7.647 8.066 422 HG23 VAL 56 3HG2 VAL 56 6.892 7.030 6.791 423 H GLY 57 H GLY 57 8.220 7.415 4.854 424 HA2 GLY 57 1HA GLY 57 9.974 6.502 3.528 425 HA3 GLY 57 2HA GLY 57 11.092 6.807 4.849 426 H GLN 58 H GLN 58 8.642 5.600 6.480 427 HA GLN 58 HA GLN 58 9.825 3.091 6.923 428 HB2 GLN 58 1HB GLN 58 7.275 4.403 7.724 429 HB3 GLN 58 2HB GLN 58 7.398 2.660 7.927 430 HG2 GLN 58 1HG GLN 58 9.585 3.146 9.159 431 HG3 GLN 58 2HG GLN 58 9.025 4.816 9.220 432 HE21 GLN 58 1HE2 GLN 58 8.365 5.189 11.213 433 HE22 GLN 58 2HE2 GLN 58 7.309 4.181 12.137 434 H VAL 59 H VAL 59 9.194 1.004 6.348 435 HA VAL 59 HA VAL 59 7.199 0.763 4.206 436 HB VAL 59 HB VAL 59 9.864 -0.643 4.080 437 HG11 VAL 59 1HG1 VAL 59 8.793 -0.457 1.548 438 HG12 VAL 59 2HG1 VAL 59 8.738 -1.875 2.596 439 HG13 VAL 59 3HG1 VAL 59 7.382 -0.747 2.565 440 HG21 VAL 59 1HG2 VAL 59 10.203 1.779 3.890 441 HG22 VAL 59 2HG2 VAL 59 10.519 0.955 2.363 442 HG23 VAL 59 3HG2 VAL 59 9.011 1.840 2.591 443 H GLY 60 H GLY 60 5.801 -0.829 4.581 444 HA2 GLY 60 1HA GLY 60 6.674 -3.228 6.002 445 HA3 GLY 60 2HA GLY 60 5.392 -2.285 6.747 446 H TYR 61 H TYR 61 4.212 -4.348 6.505 447 HA TYR 61 HA TYR 61 3.219 -4.772 3.770 448 HB2 TYR 61 1HB TYR 61 3.067 -6.578 6.192 449 HB3 TYR 61 2HB TYR 61 2.414 -6.958 4.603 450 HD1 TYR 61 2HD TYR 61 4.514 -6.133 2.781 451 HD2 TYR 61 1HD TYR 61 4.836 -8.022 6.580 452 HE1 TYR 61 2HE TYR 61 6.681 -7.087 2.116 453 HE2 TYR 61 1HE TYR 61 7.004 -8.981 5.926 454 HH TYR 61 HH TYR 61 8.621 -8.996 4.385 455 H VAL 62 H VAL 62 1.188 -4.265 3.258 456 HA VAL 62 HA VAL 62 -0.799 -3.946 5.392 457 HB VAL 62 HB VAL 62 -1.641 -1.871 4.262 458 HG11 VAL 62 1HG1 VAL 62 -0.325 -0.482 5.547 459 HG12 VAL 62 2HG1 VAL 62 -0.014 -2.050 6.295 460 HG13 VAL 62 3HG1 VAL 62 1.157 -1.361 5.170 461 HG21 VAL 62 1HG2 VAL 62 -0.639 -0.939 2.478 462 HG22 VAL 62 2HG2 VAL 62 0.982 -1.317 3.063 463 HG23 VAL 62 3HG2 VAL 62 0.033 -2.552 2.235 464 HA PRO 63 HA PRO 63 -3.508 -6.040 2.641 465 HB2 PRO 63 1HB PRO 63 -5.900 -5.007 3.401 466 HB3 PRO 63 2HB PRO 63 -4.991 -6.154 4.392 467 HG2 PRO 63 1HG PRO 63 -5.157 -3.173 4.616 468 HG3 PRO 63 2HG PRO 63 -5.205 -4.397 5.899 469 HD2 PRO 63 1HD PRO 63 -2.971 -2.982 5.317 470 HD3 PRO 63 2HD PRO 63 -2.914 -4.654 5.912 471 H GLU 64 H GLU 64 -3.907 -5.735 0.547 472 HA GLU 64 HA GLU 64 -3.784 -3.237 -0.716 473 HB2 GLU 64 1HB GLU 64 -3.499 -5.658 -1.661 474 HB3 GLU 64 2HB GLU 64 -5.228 -5.550 -1.961 475 HG2 GLU 64 1HG GLU 64 -4.791 -3.455 -3.248 476 HG3 GLU 64 2HG GLU 64 -3.067 -3.782 -3.077 477 H LYS 65 H LYS 65 -6.600 -5.313 -0.055 478 HA LYS 65 HA LYS 65 -8.646 -3.941 -1.147 479 HB2 LYS 65 1HB LYS 65 -10.061 -4.681 0.747 480 HB3 LYS 65 2HB LYS 65 -9.019 -5.959 0.135 481 HG2 LYS 65 1HG LYS 65 -7.425 -5.080 2.053 482 HG3 LYS 65 2HG LYS 65 -8.959 -4.539 2.737 483 HD2 LYS 65 1HD LYS 65 -8.703 -7.334 1.712 484 HD3 LYS 65 2HD LYS 65 -8.034 -6.921 3.292 485 HE2 LYS 65 1HE LYS 65 -10.373 -5.860 3.704 486 HE3 LYS 65 2HE LYS 65 -10.879 -6.894 2.369 487 HZ1 LYS 65 1HZ LYS 65 -10.765 -8.709 3.639 488 HZ2 LYS 65 2HZ LYS 65 -10.772 -7.647 4.955 489 HZ3 LYS 65 3HZ LYS 65 -9.307 -8.251 4.364 490 H TYR 66 H TYR 66 -7.020 -3.088 1.882 491 HA TYR 66 HA TYR 66 -8.680 -0.905 2.540 492 HB2 TYR 66 1HB TYR 66 -5.942 -1.794 3.355 493 HB3 TYR 66 2HB TYR 66 -6.492 -0.187 3.815 494 HD1 TYR 66 1HD TYR 66 -7.427 -3.783 4.014 495 HD2 TYR 66 2HD TYR 66 -7.839 0.100 5.703 496 HE1 TYR 66 1HE TYR 66 -8.627 -4.751 5.931 497 HE2 TYR 66 2HE TYR 66 -9.038 -0.857 7.625 498 HH TYR 66 HH TYR 66 -9.382 -2.887 8.756 499 H LEU 67 H LEU 67 -5.760 -1.178 0.591 500 HA LEU 67 HA LEU 67 -5.474 1.650 0.213 501 HB2 LEU 67 1HB LEU 67 -4.269 -0.630 -1.348 502 HB3 LEU 67 2HB LEU 67 -3.757 1.055 -1.408 503 HG LEU 67 HG LEU 67 -3.596 -0.655 1.069 504 HD11 LEU 67 1HD1 LEU 67 -1.606 -1.465 0.448 505 HD12 LEU 67 2HD1 LEU 67 -1.110 0.054 -0.297 506 HD13 LEU 67 3HD1 LEU 67 -2.127 -1.076 -1.191 507 HD21 LEU 67 1HD2 LEU 67 -1.806 1.629 0.721 508 HD22 LEU 67 2HD2 LEU 67 -2.765 1.139 2.117 509 HD23 LEU 67 3HD2 LEU 67 -3.512 2.065 0.814 510 H GLN 68 H GLN 68 -5.831 2.825 -1.705 511 HA GLN 68 HA GLN 68 -7.868 1.634 -3.466 512 HB2 GLN 68 1HB GLN 68 -8.701 3.512 -2.126 513 HB3 GLN 68 2HB GLN 68 -7.424 4.541 -2.761 514 HG2 GLN 68 1HG GLN 68 -8.425 3.965 -5.069 515 HG3 GLN 68 2HG GLN 68 -9.842 3.466 -4.146 516 HE21 GLN 68 1HE2 GLN 68 -11.148 5.077 -4.945 517 HE22 GLN 68 2HE2 GLN 68 -10.949 6.741 -4.525 518 H PHE 69 H PHE 69 -6.228 0.751 -4.834 519 HA PHE 69 HA PHE 69 -4.157 2.174 -6.029 520 HB2 PHE 69 1HB PHE 69 -5.727 -0.250 -6.841 521 HB3 PHE 69 2HB PHE 69 -4.533 0.435 -7.939 522 HD1 PHE 69 1HD PHE 69 -4.646 -0.211 -4.262 523 HD2 PHE 69 2HD PHE 69 -2.588 -0.768 -7.946 524 HE1 PHE 69 1HE PHE 69 -2.867 -1.431 -3.080 525 HE2 PHE 69 2HE PHE 69 -0.806 -1.991 -6.769 526 HZ PHE 69 HZ PHE 69 -0.945 -2.324 -4.333 527 HA PRO 70 HA PRO 70 -5.961 4.849 -9.001 528 HB2 PRO 70 1HB PRO 70 -4.200 4.672 -11.059 529 HB3 PRO 70 2HB PRO 70 -3.829 5.508 -9.547 530 HG2 PRO 70 1HG PRO 70 -3.061 2.751 -10.425 531 HG3 PRO 70 2HG PRO 70 -2.078 3.979 -9.605 532 HD2 PRO 70 1HD PRO 70 -3.207 1.898 -8.289 533 HD3 PRO 70 2HD PRO 70 -2.966 3.487 -7.535 534 H THR 71 H THR 71 -7.613 4.665 -10.378 535 HA THR 71 HA THR 71 -7.883 2.172 -11.910 536 HB THR 71 HB THR 71 -10.301 2.889 -12.141 537 HG1 THR 71 1HG THR 71 -9.893 5.121 -11.561 538 HG21 THR 71 1HG2 THR 71 -9.339 1.263 -10.414 539 HG22 THR 71 2HG2 THR 71 -10.923 1.958 -10.071 540 HG23 THR 71 3HG2 THR 71 -9.489 2.588 -9.261 541 H SER 72 H SER 72 -6.184 4.301 -12.822 542 HA SER 72 HA SER 72 -7.582 5.763 -14.865 543 HB2 SER 72 1HB SER 72 -5.522 6.605 -13.698 544 HB3 SER 72 2HB SER 72 -4.596 5.380 -14.565 545 HG SER 72 HG SER 72 -5.823 6.486 -16.465 546 H SER 73 H SER 73 -8.473 4.518 -16.416 547 HA SER 73 HA SER 73 -6.702 3.183 -18.256 548 HB2 SER 73 1HB SER 73 -7.395 1.519 -16.357 549 HB3 SER 73 2HB SER 73 -8.938 1.476 -17.210 550 HG SER 73 HG SER 73 -6.392 0.889 -18.322 551 H GLY 74 H GLY 74 -7.371 3.831 -20.185 552 HA2 GLY 74 1HA GLY 74 -10.279 4.117 -20.629 553 HA3 GLY 74 2HA GLY 74 -9.116 5.275 -21.258 554 HA PRO 75 HA PRO 75 -8.709 1.103 -23.735 555 HB2 PRO 75 1HB PRO 75 -10.946 -0.434 -23.694 556 HB3 PRO 75 2HB PRO 75 -9.620 -0.636 -22.542 557 HG2 PRO 75 1HG PRO 75 -12.227 0.795 -22.198 558 HG3 PRO 75 2HG PRO 75 -11.386 -0.285 -21.070 559 HD2 PRO 75 1HD PRO 75 -11.301 2.412 -20.843 560 HD3 PRO 75 2HD PRO 75 -9.946 1.370 -20.364 561 H SER 76 H SER 76 -8.798 2.345 -25.558 562 HA SER 76 HA SER 76 -11.440 3.074 -26.612 563 HB2 SER 76 1HB SER 76 -9.420 4.735 -26.317 564 HB3 SER 76 2HB SER 76 -8.877 4.026 -27.838 565 HG SER 76 HG SER 76 -10.486 5.972 -27.678 566 H SER 77 H SER 77 -11.430 3.103 -29.133 567 HA SER 77 HA SER 77 -11.590 1.839 -31.020 568 HB2 SER 77 1HB SER 77 -9.121 2.330 -30.985 569 HB3 SER 77 2HB SER 77 -8.879 0.762 -30.215 570 HG SER 77 HG SER 77 -9.973 1.272 -32.782 571 H GLY 78 H GLY 78 -12.741 0.746 -28.645 572 HA2 GLY 78 1HA GLY 78 -13.021 -1.990 -29.524 573 HA3 GLY 78 2HA GLY 78 -12.258 -1.827 -27.949 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -7.912 -27.044 -1.654 2 HA2 GLY 1 1HA GLY 1 -8.620 -24.523 -1.208 3 HA3 GLY 1 2HA GLY 1 -7.075 -24.563 -0.371 4 H SER 2 H SER 2 -7.332 -22.786 -2.362 5 HA SER 2 HA SER 2 -6.042 -24.011 -4.704 6 HB2 SER 2 1HB SER 2 -7.603 -21.457 -4.349 7 HB3 SER 2 2HB SER 2 -6.586 -21.732 -5.763 8 HG SER 2 HG SER 2 -8.009 -23.092 -6.517 9 H SER 3 H SER 3 -4.381 -22.607 -5.789 10 HA SER 3 HA SER 3 -2.175 -22.224 -4.199 11 HB2 SER 3 1HB SER 3 -1.973 -22.349 -6.609 12 HB3 SER 3 2HB SER 3 -2.874 -20.845 -6.801 13 HG SER 3 HG SER 3 -1.068 -19.824 -6.553 14 H GLY 4 H GLY 4 -4.639 -19.854 -5.106 15 HA2 GLY 4 1HA GLY 4 -4.828 -18.354 -2.918 16 HA3 GLY 4 2HA GLY 4 -3.302 -17.772 -3.566 17 H SER 5 H SER 5 -3.317 -16.276 -5.149 18 HA SER 5 HA SER 5 -5.920 -15.622 -6.365 19 HB2 SER 5 1HB SER 5 -3.816 -13.768 -5.250 20 HB3 SER 5 2HB SER 5 -5.052 -13.216 -6.380 21 HG SER 5 HG SER 5 -6.464 -13.253 -4.825 22 H SER 6 H SER 6 -5.922 -15.768 -8.500 23 HA SER 6 HA SER 6 -3.388 -15.948 -9.927 24 HB2 SER 6 1HB SER 6 -5.300 -17.593 -10.263 25 HB3 SER 6 2HB SER 6 -6.155 -16.290 -11.088 26 HG SER 6 HG SER 6 -3.538 -16.888 -11.879 27 H GLY 7 H GLY 7 -3.490 -13.456 -9.140 28 HA2 GLY 7 1HA GLY 7 -4.881 -11.776 -11.058 29 HA3 GLY 7 2HA GLY 7 -3.882 -11.229 -9.719 30 H THR 8 H THR 8 -3.808 -10.177 -12.353 31 HA THR 8 HA THR 8 -1.408 -11.247 -13.595 32 HB THR 8 HB THR 8 -3.334 -10.450 -14.974 33 HG1 THR 8 1HG THR 8 -1.800 -8.957 -16.258 34 HG21 THR 8 1HG2 THR 8 -3.236 -8.231 -13.313 35 HG22 THR 8 2HG2 THR 8 -4.187 -8.391 -14.790 36 HG23 THR 8 3HG2 THR 8 -2.590 -7.646 -14.846 37 H LEU 9 H LEU 9 0.574 -10.295 -13.611 38 HA LEU 9 HA LEU 9 1.464 -8.780 -11.512 39 HB2 LEU 9 1HB LEU 9 2.484 -9.227 -14.277 40 HB3 LEU 9 2HB LEU 9 3.289 -8.039 -13.253 41 HG LEU 9 HG LEU 9 3.367 -10.048 -11.551 42 HD11 LEU 9 1HD1 LEU 9 2.849 -12.062 -12.320 43 HD12 LEU 9 2HD1 LEU 9 3.895 -11.850 -13.724 44 HD13 LEU 9 3HD1 LEU 9 2.223 -11.294 -13.779 45 HD21 LEU 9 1HD2 LEU 9 5.442 -9.298 -12.046 46 HD22 LEU 9 2HD2 LEU 9 5.130 -9.245 -13.781 47 HD23 LEU 9 3HD2 LEU 9 5.502 -10.782 -12.998 48 H ARG 10 H ARG 10 0.930 -6.813 -10.859 49 HA ARG 10 HA ARG 10 -0.450 -4.937 -12.447 50 HB2 ARG 10 1HB ARG 10 0.986 -4.679 -9.806 51 HB3 ARG 10 2HB ARG 10 0.093 -3.353 -10.540 52 HG2 ARG 10 1HG ARG 10 -1.902 -4.936 -10.579 53 HG3 ARG 10 2HG ARG 10 -0.959 -5.957 -9.492 54 HD2 ARG 10 1HD ARG 10 -0.952 -4.349 -7.798 55 HD3 ARG 10 2HD ARG 10 -1.386 -3.049 -8.907 56 HE ARG 10 HE ARG 10 -3.176 -4.871 -7.580 57 HH11 ARG 10 2HH1 ARG 10 -2.748 -2.712 -10.277 58 HH12 ARG 10 1HH1 ARG 10 -4.445 -2.442 -10.498 59 HH21 ARG 10 2HH2 ARG 10 -5.413 -4.524 -7.860 60 HH22 ARG 10 1HH2 ARG 10 -5.960 -3.473 -9.122 61 H ASN 11 H ASN 11 0.544 -2.505 -12.245 62 HA ASN 11 HA ASN 11 3.110 -2.640 -13.684 63 HB2 ASN 11 1HB ASN 11 1.084 -1.828 -14.962 64 HB3 ASN 11 2HB ASN 11 1.055 -0.435 -13.886 65 HD21 ASN 11 1HD2 ASN 11 2.938 -2.133 -16.305 66 HD22 ASN 11 2HD2 ASN 11 3.889 -0.775 -16.790 67 H TYR 12 H TYR 12 3.900 -2.661 -11.348 68 HA TYR 12 HA TYR 12 3.725 -0.278 -9.806 69 HB2 TYR 12 1HB TYR 12 5.711 -2.556 -9.682 70 HB3 TYR 12 2HB TYR 12 5.563 -1.285 -8.473 71 HD1 TYR 12 2HD TYR 12 2.558 -1.085 -8.401 72 HD2 TYR 12 1HD TYR 12 5.153 -4.457 -8.408 73 HE1 TYR 12 2HE TYR 12 0.844 -2.400 -7.224 74 HE2 TYR 12 1HE TYR 12 3.446 -5.781 -7.233 75 HH TYR 12 HH TYR 12 1.422 -5.179 -5.643 76 HA PRO 13 HA PRO 13 5.201 0.655 -8.222 77 HB2 PRO 13 1HB PRO 13 5.358 3.354 -7.981 78 HB3 PRO 13 2HB PRO 13 6.746 2.286 -7.741 79 HG2 PRO 13 1HG PRO 13 5.989 3.896 -10.149 80 HG3 PRO 13 2HG PRO 13 7.585 3.672 -9.409 81 HD2 PRO 13 1HD PRO 13 6.797 2.311 -11.614 82 HD3 PRO 13 2HD PRO 13 7.897 1.617 -10.406 83 H LEU 14 H LEU 14 3.332 1.757 -7.256 84 HA LEU 14 HA LEU 14 1.460 2.992 -9.113 85 HB2 LEU 14 1HB LEU 14 1.032 0.361 -7.750 86 HB3 LEU 14 2HB LEU 14 -0.335 1.403 -8.138 87 HG LEU 14 HG LEU 14 1.627 0.319 -10.158 88 HD11 LEU 14 1HD1 LEU 14 -0.264 -1.132 -10.838 89 HD12 LEU 14 2HD1 LEU 14 -1.136 -0.612 -9.397 90 HD13 LEU 14 3HD1 LEU 14 0.373 -1.510 -9.237 91 HD21 LEU 14 1HD2 LEU 14 -0.041 1.079 -11.786 92 HD22 LEU 14 2HD2 LEU 14 0.603 2.418 -10.836 93 HD23 LEU 14 3HD2 LEU 14 -0.999 1.771 -10.477 94 H THR 15 H THR 15 0.866 4.791 -8.116 95 HA THR 15 HA THR 15 1.035 5.116 -5.281 96 HB THR 15 HB THR 15 -0.347 6.978 -7.215 97 HG1 THR 15 1HG THR 15 1.710 6.707 -8.020 98 HG21 THR 15 1HG2 THR 15 0.014 8.661 -5.610 99 HG22 THR 15 2HG2 THR 15 1.168 7.674 -4.712 100 HG23 THR 15 3HG2 THR 15 -0.549 7.271 -4.683 101 H CYS 16 H CYS 16 -0.481 4.802 -3.781 102 HA CYS 16 HA CYS 16 -3.282 4.544 -4.646 103 HB2 CYS 16 1HB CYS 16 -3.476 2.804 -2.777 104 HB3 CYS 16 2HB CYS 16 -2.646 2.309 -4.247 105 HG CYS 16 HG CYS 16 -1.338 2.902 -1.168 106 H LYS 17 H LYS 17 -4.867 5.156 -3.122 107 HA LYS 17 HA LYS 17 -3.842 6.961 -1.036 108 HB2 LYS 17 1HB LYS 17 -5.137 8.154 -2.666 109 HB3 LYS 17 2HB LYS 17 -6.435 6.970 -2.583 110 HG2 LYS 17 1HG LYS 17 -7.299 8.679 -1.328 111 HG3 LYS 17 2HG LYS 17 -6.547 7.685 -0.079 112 HD2 LYS 17 1HD LYS 17 -5.725 9.733 0.515 113 HD3 LYS 17 2HD LYS 17 -4.464 9.226 -0.612 114 HE2 LYS 17 1HE LYS 17 -5.687 10.443 -2.413 115 HE3 LYS 17 2HE LYS 17 -6.793 11.053 -1.183 116 HZ1 LYS 17 1HZ LYS 17 -4.565 11.806 -0.072 117 HZ2 LYS 17 2HZ LYS 17 -5.290 12.745 -1.277 118 HZ3 LYS 17 3HZ LYS 17 -3.985 11.740 -1.660 119 H VAL 18 H VAL 18 -3.990 6.229 0.970 120 HA VAL 18 HA VAL 18 -5.457 3.925 1.699 121 HB VAL 18 HB VAL 18 -4.194 6.065 3.415 122 HG11 VAL 18 1HG1 VAL 18 -4.314 3.908 5.022 123 HG12 VAL 18 2HG1 VAL 18 -5.530 5.187 5.011 124 HG13 VAL 18 3HG1 VAL 18 -5.807 3.696 4.110 125 HG21 VAL 18 1HG2 VAL 18 -3.230 3.262 2.902 126 HG22 VAL 18 2HG2 VAL 18 -2.738 4.636 1.912 127 HG23 VAL 18 3HG2 VAL 18 -2.348 4.604 3.631 128 H VAL 19 H VAL 19 -7.626 3.985 1.478 129 HA VAL 19 HA VAL 19 -9.139 6.303 2.368 130 HB VAL 19 HB VAL 19 -11.112 4.783 1.646 131 HG11 VAL 19 1HG1 VAL 19 -9.277 5.516 -0.602 132 HG12 VAL 19 2HG1 VAL 19 -11.029 5.688 -0.489 133 HG13 VAL 19 3HG1 VAL 19 -9.975 6.764 0.430 134 HG21 VAL 19 1HG2 VAL 19 -9.051 3.411 -0.025 135 HG22 VAL 19 2HG2 VAL 19 -9.426 2.790 1.583 136 HG23 VAL 19 3HG2 VAL 19 -10.697 2.909 0.366 137 H TYR 20 H TYR 20 -8.224 3.187 3.517 138 HA TYR 20 HA TYR 20 -10.066 3.491 5.798 139 HB2 TYR 20 1HB TYR 20 -9.185 1.057 4.291 140 HB3 TYR 20 2HB TYR 20 -9.615 0.913 5.992 141 HD1 TYR 20 2HD TYR 20 -11.092 2.897 3.189 142 HD2 TYR 20 1HD TYR 20 -11.686 -0.097 6.153 143 HE1 TYR 20 2HE TYR 20 -13.469 2.765 2.570 144 HE2 TYR 20 1HE TYR 20 -14.064 -0.238 5.542 145 HH TYR 20 HH TYR 20 -15.380 1.626 2.837 146 H SER 21 H SER 21 -9.164 3.723 7.736 147 HA SER 21 HA SER 21 -6.327 3.838 8.014 148 HB2 SER 21 1HB SER 21 -7.366 5.367 9.406 149 HB3 SER 21 2HB SER 21 -8.666 4.254 9.834 150 HG SER 21 HG SER 21 -7.173 3.108 11.112 151 H TYR 22 H TYR 22 -4.965 2.528 9.239 152 HA TYR 22 HA TYR 22 -6.018 0.061 10.364 153 HB2 TYR 22 1HB TYR 22 -5.581 -0.467 7.984 154 HB3 TYR 22 2HB TYR 22 -3.906 0.032 8.197 155 HD1 TYR 22 2HD TYR 22 -6.405 -2.537 9.008 156 HD2 TYR 22 1HD TYR 22 -2.322 -1.384 9.334 157 HE1 TYR 22 2HE TYR 22 -5.822 -4.821 9.712 158 HE2 TYR 22 1HE TYR 22 -1.728 -3.664 10.038 159 HH TYR 22 HH TYR 22 -4.098 -6.002 10.885 160 H LYS 23 H LYS 23 -5.100 -0.179 12.280 161 HA LYS 23 HA LYS 23 -2.595 1.177 12.873 162 HB2 LYS 23 1HB LYS 23 -4.338 1.463 14.498 163 HB3 LYS 23 2HB LYS 23 -4.598 -0.273 14.606 164 HG2 LYS 23 1HG LYS 23 -2.579 -0.610 15.765 165 HG3 LYS 23 2HG LYS 23 -1.993 1.007 15.369 166 HD2 LYS 23 1HD LYS 23 -3.385 2.029 16.915 167 HD3 LYS 23 2HD LYS 23 -4.511 0.671 16.949 168 HE2 LYS 23 1HE LYS 23 -2.926 -0.670 18.173 169 HE3 LYS 23 2HE LYS 23 -1.696 0.584 18.027 170 HZ1 LYS 23 1HZ LYS 23 -4.272 1.153 19.345 171 HZ2 LYS 23 2HZ LYS 23 -2.788 1.943 19.528 172 HZ3 LYS 23 3HZ LYS 23 -3.017 0.408 20.200 173 H ALA 24 H ALA 24 -0.768 0.136 12.434 174 HA ALA 24 HA ALA 24 -0.513 -2.613 11.985 175 HB1 ALA 24 1HB ALA 24 1.810 -2.253 11.831 176 HB2 ALA 24 2HB ALA 24 1.060 -0.761 11.262 177 HB3 ALA 24 3HB ALA 24 1.741 -0.841 12.886 178 H SER 25 H SER 25 -0.370 -4.302 13.307 179 HA SER 25 HA SER 25 -0.137 -3.809 16.182 180 HB2 SER 25 1HB SER 25 -1.157 -5.929 16.519 181 HB3 SER 25 2HB SER 25 -2.033 -5.192 15.178 182 HG SER 25 HG SER 25 0.067 -7.090 14.951 183 H GLN 26 H GLN 26 1.390 -5.581 13.554 184 HA GLN 26 HA GLN 26 3.446 -6.584 15.380 185 HB2 GLN 26 1HB GLN 26 2.673 -7.264 12.555 186 HB3 GLN 26 2HB GLN 26 4.220 -7.770 13.221 187 HG2 GLN 26 1HG GLN 26 2.818 -8.770 15.135 188 HG3 GLN 26 2HG GLN 26 1.463 -8.603 14.020 189 HE21 GLN 26 1HE2 GLN 26 1.118 -10.184 12.620 190 HE22 GLN 26 2HE2 GLN 26 2.226 -11.453 12.239 191 HA PRO 27 HA PRO 27 6.453 -3.613 14.201 192 HB2 PRO 27 1HB PRO 27 8.728 -5.081 14.404 193 HB3 PRO 27 2HB PRO 27 7.810 -4.532 15.811 194 HG2 PRO 27 1HG PRO 27 7.805 -7.210 14.472 195 HG3 PRO 27 2HG PRO 27 7.822 -6.825 16.203 196 HD2 PRO 27 1HD PRO 27 5.566 -7.553 14.895 197 HD3 PRO 27 2HD PRO 27 5.553 -6.424 16.265 198 H ASP 28 H ASP 28 5.669 -6.219 12.273 199 HA ASP 28 HA ASP 28 7.653 -5.564 10.214 200 HB2 ASP 28 1HB ASP 28 5.657 -7.783 9.941 201 HB3 ASP 28 2HB ASP 28 7.282 -7.658 9.273 202 H GLU 29 H GLU 29 4.413 -5.017 11.080 203 HA GLU 29 HA GLU 29 3.431 -4.615 8.395 204 HB2 GLU 29 1HB GLU 29 2.298 -4.399 11.142 205 HB3 GLU 29 2HB GLU 29 1.512 -3.494 9.856 206 HG2 GLU 29 1HG GLU 29 0.355 -5.511 9.945 207 HG3 GLU 29 2HG GLU 29 1.447 -5.692 8.574 208 H LEU 30 H LEU 30 2.120 -2.404 8.178 209 HA LEU 30 HA LEU 30 3.954 -0.218 8.907 210 HB2 LEU 30 1HB LEU 30 3.844 -1.115 6.429 211 HB3 LEU 30 2HB LEU 30 2.403 -0.103 6.369 212 HG LEU 30 HG LEU 30 4.360 1.053 5.476 213 HD11 LEU 30 1HD1 LEU 30 3.715 3.033 6.317 214 HD12 LEU 30 2HD1 LEU 30 3.981 2.532 7.986 215 HD13 LEU 30 3HD1 LEU 30 2.498 2.068 7.153 216 HD21 LEU 30 1HD2 LEU 30 5.791 1.644 7.844 217 HD22 LEU 30 2HD2 LEU 30 6.358 0.801 6.403 218 HD23 LEU 30 3HD2 LEU 30 5.644 -0.110 7.734 219 H THR 31 H THR 31 2.961 1.153 10.216 220 HA THR 31 HA THR 31 0.158 1.225 10.595 221 HB THR 31 HB THR 31 2.147 3.346 11.420 222 HG1 THR 31 1HG THR 31 2.764 1.265 12.183 223 HG21 THR 31 1HG2 THR 31 -0.614 3.299 11.629 224 HG22 THR 31 2HG2 THR 31 0.486 4.298 12.579 225 HG23 THR 31 3HG2 THR 31 -0.063 2.746 13.210 226 H ILE 32 H ILE 32 -1.297 2.084 9.278 227 HA ILE 32 HA ILE 32 -0.565 4.498 7.753 228 HB ILE 32 HB ILE 32 -2.080 3.784 5.976 229 HG12 ILE 32 1HG1 ILE 32 -2.392 1.259 7.615 230 HG13 ILE 32 2HG1 ILE 32 -3.641 2.467 7.335 231 HG21 ILE 32 1HG2 ILE 32 -0.771 1.729 5.243 232 HG22 ILE 32 2HG2 ILE 32 0.159 3.183 5.597 233 HG23 ILE 32 3HG2 ILE 32 0.094 1.871 6.773 234 HD11 ILE 32 1HD1 ILE 32 -4.271 1.103 5.686 235 HD12 ILE 32 2HD1 ILE 32 -2.932 1.826 4.795 236 HD13 ILE 32 3HD1 ILE 32 -2.708 0.288 5.627 237 H GLU 33 H GLU 33 -2.588 5.708 6.997 238 HA GLU 33 HA GLU 33 -4.873 5.502 8.764 239 HB2 GLU 33 1HB GLU 33 -2.815 7.631 9.013 240 HB3 GLU 33 2HB GLU 33 -4.497 8.124 9.141 241 HG2 GLU 33 1HG GLU 33 -4.792 6.400 10.915 242 HG3 GLU 33 2HG GLU 33 -3.053 6.119 10.854 243 H GLU 34 H GLU 34 -6.705 6.535 7.979 244 HA GLU 34 HA GLU 34 -7.120 6.703 5.298 245 HB2 GLU 34 1HB GLU 34 -8.893 6.792 7.039 246 HB3 GLU 34 2HB GLU 34 -8.468 8.469 7.348 247 HG2 GLU 34 1HG GLU 34 -9.101 9.070 5.083 248 HG3 GLU 34 2HG GLU 34 -9.476 7.385 4.727 249 H HIS 35 H HIS 35 -7.069 8.269 3.709 250 HA HIS 35 HA HIS 35 -6.414 10.150 2.601 251 HB2 HIS 35 1HB HIS 35 -6.003 11.472 5.282 252 HB3 HIS 35 2HB HIS 35 -6.328 12.246 3.734 253 HD1 HIS 35 1HD HIS 35 -8.799 10.888 2.762 254 HD2 HIS 35 2HD HIS 35 -8.227 11.850 6.763 255 HE1 HIS 35 1HE HIS 35 -11.103 10.995 3.764 256 HE2 HIS 35 2HE HIS 35 -10.736 11.662 6.165 257 H GLU 36 H GLU 36 -4.552 8.108 3.312 258 HA GLU 36 HA GLU 36 -2.077 9.701 3.394 259 HB2 GLU 36 1HB GLU 36 -2.240 8.542 5.498 260 HB3 GLU 36 2HB GLU 36 -2.618 7.027 4.690 261 HG2 GLU 36 1HG GLU 36 -0.444 6.703 3.986 262 HG3 GLU 36 2HG GLU 36 -0.034 8.411 4.132 263 H VAL 37 H VAL 37 -1.755 9.734 1.198 264 HA VAL 37 HA VAL 37 -1.964 7.373 -0.418 265 HB VAL 37 HB VAL 37 -2.401 9.537 -1.422 266 HG11 VAL 37 1HG1 VAL 37 0.289 10.528 -1.657 267 HG12 VAL 37 2HG1 VAL 37 -1.154 11.338 -1.043 268 HG13 VAL 37 3HG1 VAL 37 -0.161 10.360 0.039 269 HG21 VAL 37 1HG2 VAL 37 -0.072 7.961 -2.442 270 HG22 VAL 37 2HG2 VAL 37 -1.723 8.039 -3.056 271 HG23 VAL 37 3HG2 VAL 37 -0.624 9.395 -3.308 272 H LEU 38 H LEU 38 -0.470 5.864 -0.740 273 HA LEU 38 HA LEU 38 2.315 6.474 0.004 274 HB2 LEU 38 1HB LEU 38 1.223 3.694 -0.058 275 HB3 LEU 38 2HB LEU 38 2.595 4.333 0.844 276 HG LEU 38 HG LEU 38 -0.144 5.278 1.545 277 HD11 LEU 38 1HD1 LEU 38 1.011 2.614 2.358 278 HD12 LEU 38 2HD1 LEU 38 -0.442 2.882 1.395 279 HD13 LEU 38 3HD1 LEU 38 -0.402 3.379 3.087 280 HD21 LEU 38 1HD2 LEU 38 2.517 4.981 2.856 281 HD22 LEU 38 2HD2 LEU 38 1.062 4.976 3.853 282 HD23 LEU 38 3HD2 LEU 38 1.423 6.364 2.825 283 H GLU 39 H GLU 39 3.781 4.619 -1.056 284 HA GLU 39 HA GLU 39 3.074 4.528 -3.916 285 HB2 GLU 39 1HB GLU 39 4.938 6.136 -3.235 286 HB3 GLU 39 2HB GLU 39 5.891 4.708 -2.861 287 HG2 GLU 39 1HG GLU 39 5.772 3.967 -5.145 288 HG3 GLU 39 2HG GLU 39 4.683 5.291 -5.553 289 H VAL 40 H VAL 40 2.553 2.486 -4.363 290 HA VAL 40 HA VAL 40 3.649 0.254 -2.935 291 HB VAL 40 HB VAL 40 1.961 0.294 -5.441 292 HG11 VAL 40 1HG1 VAL 40 2.647 -1.852 -5.526 293 HG12 VAL 40 2HG1 VAL 40 3.138 -1.874 -3.831 294 HG13 VAL 40 3HG1 VAL 40 1.439 -2.073 -4.261 295 HG21 VAL 40 1HG2 VAL 40 1.342 0.690 -2.625 296 HG22 VAL 40 2HG2 VAL 40 0.359 1.006 -4.055 297 HG23 VAL 40 3HG2 VAL 40 0.406 -0.613 -3.358 298 H ILE 41 H ILE 41 5.669 -0.397 -3.269 299 HA ILE 41 HA ILE 41 6.806 -0.214 -5.969 300 HB ILE 41 HB ILE 41 8.990 -0.579 -4.887 301 HG12 ILE 41 1HG1 ILE 41 7.367 -0.522 -2.334 302 HG13 ILE 41 2HG1 ILE 41 8.268 -1.895 -2.966 303 HG21 ILE 41 1HG2 ILE 41 7.805 1.639 -3.316 304 HG22 ILE 41 2HG2 ILE 41 9.247 1.611 -4.329 305 HG23 ILE 41 3HG2 ILE 41 7.650 1.706 -5.072 306 HD11 ILE 41 1HD1 ILE 41 10.261 -0.147 -2.817 307 HD12 ILE 41 2HD1 ILE 41 9.223 0.515 -1.554 308 HD13 ILE 41 3HD1 ILE 41 9.775 -1.157 -1.456 309 H GLU 42 H GLU 42 6.001 -2.470 -3.417 310 HA GLU 42 HA GLU 42 6.533 -4.676 -5.279 311 HB2 GLU 42 1HB GLU 42 7.546 -4.365 -2.479 312 HB3 GLU 42 2HB GLU 42 7.190 -5.972 -3.096 313 HG2 GLU 42 1HG GLU 42 9.131 -3.996 -4.272 314 HG3 GLU 42 2HG GLU 42 9.532 -5.459 -3.373 315 H ASP 43 H ASP 43 5.436 -6.717 -4.580 316 HA ASP 43 HA ASP 43 2.735 -6.068 -3.696 317 HB2 ASP 43 1HB ASP 43 3.051 -7.387 -5.762 318 HB3 ASP 43 2HB ASP 43 3.843 -8.649 -4.823 319 H GLY 44 H GLY 44 5.168 -6.347 -1.897 320 HA2 GLY 44 1HA GLY 44 5.574 -7.101 0.233 321 HA3 GLY 44 2HA GLY 44 3.861 -7.489 0.315 322 H ASP 45 H ASP 45 5.419 -9.127 1.671 323 HA ASP 45 HA ASP 45 6.455 -11.312 0.157 324 HB2 ASP 45 1HB ASP 45 7.416 -11.002 2.295 325 HB3 ASP 45 2HB ASP 45 5.841 -10.916 3.080 326 H MET 46 H MET 46 3.339 -10.471 1.404 327 HA MET 46 HA MET 46 2.317 -13.174 0.923 328 HB2 MET 46 1HB MET 46 1.356 -10.814 2.471 329 HB3 MET 46 2HB MET 46 0.155 -11.926 1.830 330 HG2 MET 46 1HG MET 46 2.467 -13.004 3.367 331 HG3 MET 46 2HG MET 46 1.129 -12.246 4.227 332 HE1 MET 46 1HE MET 46 -0.931 -12.829 4.449 333 HE2 MET 46 2HE MET 46 -1.863 -13.850 3.354 334 HE3 MET 46 3HE MET 46 -1.220 -14.521 4.853 335 H GLU 47 H GLU 47 -0.144 -12.957 0.093 336 HA GLU 47 HA GLU 47 0.114 -11.753 -2.550 337 HB2 GLU 47 1HB GLU 47 -1.891 -13.688 -1.387 338 HB3 GLU 47 2HB GLU 47 -1.998 -13.041 -3.018 339 HG2 GLU 47 1HG GLU 47 -0.983 -15.091 -3.331 340 HG3 GLU 47 2HG GLU 47 0.379 -13.972 -3.316 341 H ASP 48 H ASP 48 -2.461 -11.967 -0.087 342 HA ASP 48 HA ASP 48 -4.031 -9.898 -1.146 343 HB2 ASP 48 1HB ASP 48 -5.082 -11.382 0.371 344 HB3 ASP 48 2HB ASP 48 -3.854 -11.114 1.605 345 H TRP 49 H TRP 49 -1.201 -9.848 0.843 346 HA TRP 49 HA TRP 49 -1.579 -7.011 1.468 347 HB2 TRP 49 1HB TRP 49 0.583 -8.905 2.415 348 HB3 TRP 49 2HB TRP 49 0.297 -7.269 3.003 349 HD1 TRP 49 HD TRP 49 -1.708 -10.597 2.800 350 HE1 TRP 49 1HE TRP 49 -3.110 -10.799 4.949 351 HE3 TRP 49 3HE TRP 49 -0.451 -6.162 5.011 352 HZ2 TRP 49 2HZ TRP 49 -3.617 -9.280 7.273 353 HZ3 TRP 49 3HZ TRP 49 -1.439 -5.612 7.196 354 HH2 TRP 49 HH TRP 49 -2.989 -7.140 8.302 355 H VAL 50 H VAL 50 0.268 -5.543 1.171 356 HA VAL 50 HA VAL 50 2.105 -6.315 -0.977 357 HB VAL 50 HB VAL 50 1.692 -4.132 -2.122 358 HG11 VAL 50 1HG1 VAL 50 0.225 -6.529 -2.250 359 HG12 VAL 50 2HG1 VAL 50 -0.938 -5.216 -2.441 360 HG13 VAL 50 3HG1 VAL 50 0.452 -5.329 -3.522 361 HG21 VAL 50 1HG2 VAL 50 0.129 -2.644 -1.461 362 HG22 VAL 50 2HG2 VAL 50 -0.984 -3.895 -0.907 363 HG23 VAL 50 3HG2 VAL 50 0.369 -3.405 0.112 364 H LYS 51 H LYS 51 3.649 -4.354 -1.401 365 HA LYS 51 HA LYS 51 4.526 -3.382 1.237 366 HB2 LYS 51 1HB LYS 51 5.963 -4.956 -0.335 367 HB3 LYS 51 2HB LYS 51 6.358 -3.433 -1.121 368 HG2 LYS 51 1HG LYS 51 7.221 -2.547 0.961 369 HG3 LYS 51 2HG LYS 51 6.759 -4.028 1.804 370 HD2 LYS 51 1HD LYS 51 8.247 -5.118 -0.110 371 HD3 LYS 51 2HD LYS 51 9.004 -3.524 -0.075 372 HE2 LYS 51 1HE LYS 51 10.267 -4.558 1.511 373 HE3 LYS 51 2HE LYS 51 8.957 -3.976 2.537 374 HZ1 LYS 51 1HZ LYS 51 8.566 -6.589 1.330 375 HZ2 LYS 51 2HZ LYS 51 8.191 -6.048 2.888 376 HZ3 LYS 51 3HZ LYS 51 9.777 -6.498 2.508 377 H ALA 52 H ALA 52 4.472 -1.268 1.609 378 HA ALA 52 HA ALA 52 4.731 0.606 -0.622 379 HB1 ALA 52 1HB ALA 52 2.776 1.809 0.895 380 HB2 ALA 52 2HB ALA 52 2.531 0.980 -0.643 381 HB3 ALA 52 3HB ALA 52 2.284 0.115 0.874 382 H ARG 53 H ARG 53 5.359 2.732 0.005 383 HA ARG 53 HA ARG 53 6.576 2.827 2.685 384 HB2 ARG 53 1HB ARG 53 8.096 2.863 0.651 385 HB3 ARG 53 2HB ARG 53 7.422 4.446 0.285 386 HG2 ARG 53 1HG ARG 53 8.231 5.293 2.425 387 HG3 ARG 53 2HG ARG 53 8.899 3.704 2.802 388 HD2 ARG 53 1HD ARG 53 10.090 4.054 0.466 389 HD3 ARG 53 2HD ARG 53 9.831 5.754 0.859 390 HE ARG 53 HE ARG 53 10.947 4.771 3.114 391 HH11 ARG 53 2HH1 ARG 53 11.845 4.629 -0.247 392 HH12 ARG 53 1HH1 ARG 53 13.546 4.562 0.076 393 HH21 ARG 53 2HH2 ARG 53 13.184 4.683 3.552 394 HH22 ARG 53 1HH2 ARG 53 14.306 4.592 2.237 395 H ASN 54 H ASN 54 6.102 4.473 4.034 396 HA ASN 54 HA ASN 54 4.005 6.316 3.199 397 HB2 ASN 54 1HB ASN 54 4.164 6.922 5.737 398 HB3 ASN 54 2HB ASN 54 3.430 5.395 5.254 399 HD21 ASN 54 1HD2 ASN 54 4.007 5.042 7.598 400 HD22 ASN 54 2HD2 ASN 54 5.552 4.338 7.915 401 H LYS 55 H LYS 55 4.282 8.526 4.589 402 HA LYS 55 HA LYS 55 6.226 10.012 3.226 403 HB2 LYS 55 1HB LYS 55 5.597 11.863 4.670 404 HB3 LYS 55 2HB LYS 55 4.162 10.980 4.165 405 HG2 LYS 55 1HG LYS 55 3.685 11.227 6.368 406 HG3 LYS 55 2HG LYS 55 4.584 9.710 6.447 407 HD2 LYS 55 1HD LYS 55 5.539 10.983 8.144 408 HD3 LYS 55 2HD LYS 55 6.652 11.216 6.794 409 HE2 LYS 55 1HE LYS 55 6.390 13.383 7.481 410 HE3 LYS 55 2HE LYS 55 5.090 13.274 6.295 411 HZ1 LYS 55 1HZ LYS 55 4.046 12.413 8.717 412 HZ2 LYS 55 2HZ LYS 55 3.688 13.844 7.890 413 HZ3 LYS 55 3HZ LYS 55 4.916 13.825 9.054 414 H VAL 56 H VAL 56 6.206 8.656 6.491 415 HA VAL 56 HA VAL 56 8.578 9.829 7.418 416 HB VAL 56 HB VAL 56 8.677 7.880 8.999 417 HG11 VAL 56 1HG1 VAL 56 6.949 8.685 10.324 418 HG12 VAL 56 2HG1 VAL 56 7.271 10.038 9.238 419 HG13 VAL 56 3HG1 VAL 56 5.892 8.978 8.943 420 HG21 VAL 56 1HG2 VAL 56 7.054 6.684 7.034 421 HG22 VAL 56 2HG2 VAL 56 7.580 5.996 8.571 422 HG23 VAL 56 3HG2 VAL 56 6.051 6.870 8.474 423 H GLY 57 H GLY 57 8.062 7.384 5.085 424 HA2 GLY 57 1HA GLY 57 9.734 6.587 3.630 425 HA3 GLY 57 2HA GLY 57 10.950 7.039 4.815 426 H GLN 58 H GLN 58 8.280 5.340 6.084 427 HA GLN 58 HA GLN 58 9.978 3.030 6.577 428 HB2 GLN 58 1HB GLN 58 7.443 4.091 7.737 429 HB3 GLN 58 2HB GLN 58 7.771 2.370 7.890 430 HG2 GLN 58 1HG GLN 58 10.014 3.025 8.862 431 HG3 GLN 58 2HG GLN 58 9.378 4.666 8.959 432 HE21 GLN 58 1HE2 GLN 58 8.494 1.343 9.827 433 HE22 GLN 58 2HE2 GLN 58 7.791 1.746 11.353 434 H VAL 59 H VAL 59 9.657 1.016 5.777 435 HA VAL 59 HA VAL 59 7.422 0.674 3.883 436 HB VAL 59 HB VAL 59 10.085 -0.728 3.691 437 HG11 VAL 59 1HG1 VAL 59 9.133 -1.898 2.064 438 HG12 VAL 59 2HG1 VAL 59 7.595 -1.113 2.424 439 HG13 VAL 59 3HG1 VAL 59 8.682 -0.415 1.224 440 HG21 VAL 59 1HG2 VAL 59 10.659 0.847 1.912 441 HG22 VAL 59 2HG2 VAL 59 9.173 1.746 2.222 442 HG23 VAL 59 3HG2 VAL 59 10.435 1.678 3.452 443 H GLY 60 H GLY 60 5.981 -0.779 4.524 444 HA2 GLY 60 1HA GLY 60 6.927 -3.192 5.912 445 HA3 GLY 60 2HA GLY 60 5.639 -2.241 6.635 446 H TYR 61 H TYR 61 4.194 -3.987 6.521 447 HA TYR 61 HA TYR 61 3.276 -4.624 3.793 448 HB2 TYR 61 1HB TYR 61 3.225 -6.357 6.271 449 HB3 TYR 61 2HB TYR 61 2.435 -6.773 4.754 450 HD1 TYR 61 2HD TYR 61 4.497 -5.888 2.808 451 HD2 TYR 61 1HD TYR 61 4.887 -7.985 6.489 452 HE1 TYR 61 2HE TYR 61 6.583 -6.908 1.999 453 HE2 TYR 61 1HE TYR 61 6.976 -9.010 5.691 454 HH TYR 61 HH TYR 61 8.483 -9.087 4.060 455 H VAL 62 H VAL 62 1.276 -4.017 3.301 456 HA VAL 62 HA VAL 62 -0.688 -3.666 5.457 457 HB VAL 62 HB VAL 62 -1.527 -1.621 4.194 458 HG11 VAL 62 1HG1 VAL 62 0.871 -1.826 5.912 459 HG12 VAL 62 2HG1 VAL 62 0.581 -0.268 5.136 460 HG13 VAL 62 3HG1 VAL 62 -0.650 -0.976 6.181 461 HG21 VAL 62 1HG2 VAL 62 0.906 -2.248 2.674 462 HG22 VAL 62 2HG2 VAL 62 -0.532 -1.347 2.194 463 HG23 VAL 62 3HG2 VAL 62 0.733 -0.554 3.133 464 HA PRO 63 HA PRO 63 -3.434 -5.822 2.789 465 HB2 PRO 63 1HB PRO 63 -5.814 -4.815 3.621 466 HB3 PRO 63 2HB PRO 63 -4.862 -5.952 4.584 467 HG2 PRO 63 1HG PRO 63 -5.056 -2.973 4.813 468 HG3 PRO 63 2HG PRO 63 -5.050 -4.196 6.097 469 HD2 PRO 63 1HD PRO 63 -2.851 -2.757 5.446 470 HD3 PRO 63 2HD PRO 63 -2.757 -4.427 6.040 471 H GLU 64 H GLU 64 -3.515 -5.384 0.675 472 HA GLU 64 HA GLU 64 -3.656 -2.876 -0.506 473 HB2 GLU 64 1HB GLU 64 -3.153 -5.287 -1.478 474 HB3 GLU 64 2HB GLU 64 -4.851 -5.213 -1.928 475 HG2 GLU 64 1HG GLU 64 -4.148 -2.874 -2.901 476 HG3 GLU 64 2HG GLU 64 -2.551 -3.619 -2.923 477 H LYS 65 H LYS 65 -6.241 -5.097 0.391 478 HA LYS 65 HA LYS 65 -8.399 -3.934 -0.880 479 HB2 LYS 65 1HB LYS 65 -9.771 -5.100 0.606 480 HB3 LYS 65 2HB LYS 65 -8.286 -6.042 0.606 481 HG2 LYS 65 1HG LYS 65 -7.624 -5.145 2.709 482 HG3 LYS 65 2HG LYS 65 -8.930 -3.958 2.677 483 HD2 LYS 65 1HD LYS 65 -9.763 -5.592 4.097 484 HD3 LYS 65 2HD LYS 65 -10.481 -6.029 2.545 485 HE2 LYS 65 1HE LYS 65 -7.864 -7.209 3.389 486 HE3 LYS 65 2HE LYS 65 -9.376 -7.866 4.013 487 HZ1 LYS 65 1HZ LYS 65 -9.271 -9.111 2.166 488 HZ2 LYS 65 2HZ LYS 65 -8.242 -8.043 1.353 489 HZ3 LYS 65 3HZ LYS 65 -9.906 -7.742 1.402 490 H TYR 66 H TYR 66 -6.465 -2.654 1.635 491 HA TYR 66 HA TYR 66 -8.480 -0.721 2.467 492 HB2 TYR 66 1HB TYR 66 -5.776 -1.520 3.457 493 HB3 TYR 66 2HB TYR 66 -6.386 0.080 3.865 494 HD1 TYR 66 1HD TYR 66 -7.441 -3.503 3.934 495 HD2 TYR 66 2HD TYR 66 -7.671 0.327 5.773 496 HE1 TYR 66 1HE TYR 66 -8.737 -4.476 5.784 497 HE2 TYR 66 2HE TYR 66 -8.967 -0.636 7.629 498 HH TYR 66 HH TYR 66 -9.128 -3.820 8.303 499 H LEU 67 H LEU 67 -5.618 -0.940 0.494 500 HA LEU 67 HA LEU 67 -5.251 1.897 0.238 501 HB2 LEU 67 1HB LEU 67 -4.166 -0.267 -1.550 502 HB3 LEU 67 2HB LEU 67 -3.544 1.369 -1.348 503 HG LEU 67 HG LEU 67 -3.525 -0.713 0.832 504 HD11 LEU 67 1HD1 LEU 67 -1.576 -0.106 -1.342 505 HD12 LEU 67 2HD1 LEU 67 -2.055 -1.659 -0.658 506 HD13 LEU 67 3HD1 LEU 67 -0.983 -0.591 0.247 507 HD21 LEU 67 1HD2 LEU 67 -3.089 1.083 2.081 508 HD22 LEU 67 2HD2 LEU 67 -2.856 2.114 0.669 509 HD23 LEU 67 3HD2 LEU 67 -1.523 1.127 1.270 510 H GLN 68 H GLN 68 -5.572 3.136 -1.669 511 HA GLN 68 HA GLN 68 -7.780 2.129 -3.333 512 HB2 GLN 68 1HB GLN 68 -8.183 4.167 -1.906 513 HB3 GLN 68 2HB GLN 68 -6.997 5.012 -2.892 514 HG2 GLN 68 1HG GLN 68 -8.441 4.394 -4.887 515 HG3 GLN 68 2HG GLN 68 -9.675 3.941 -3.712 516 HE21 GLN 68 1HE2 GLN 68 -7.612 6.608 -4.746 517 HE22 GLN 68 2HE2 GLN 68 -8.697 7.868 -4.277 518 H PHE 69 H PHE 69 -6.508 1.091 -4.881 519 HA PHE 69 HA PHE 69 -4.320 2.318 -6.198 520 HB2 PHE 69 1HB PHE 69 -6.047 -0.068 -6.786 521 HB3 PHE 69 2HB PHE 69 -4.862 0.487 -7.963 522 HD1 PHE 69 1HD PHE 69 -4.658 0.354 -4.253 523 HD2 PHE 69 2HD PHE 69 -3.192 -1.113 -7.970 524 HE1 PHE 69 1HE PHE 69 -2.901 -0.892 -3.064 525 HE2 PHE 69 2HE PHE 69 -1.433 -2.361 -6.787 526 HZ PHE 69 HZ PHE 69 -1.286 -2.252 -4.331 527 HA PRO 70 HA PRO 70 -6.203 4.903 -9.202 528 HB2 PRO 70 1HB PRO 70 -4.549 4.569 -11.328 529 HB3 PRO 70 2HB PRO 70 -4.083 5.470 -9.881 530 HG2 PRO 70 1HG PRO 70 -3.432 2.651 -10.648 531 HG3 PRO 70 2HG PRO 70 -2.379 3.889 -9.940 532 HD2 PRO 70 1HD PRO 70 -3.498 1.913 -8.466 533 HD3 PRO 70 2HD PRO 70 -3.178 3.531 -7.808 534 H THR 71 H THR 71 -6.376 1.620 -9.394 535 HA THR 71 HA THR 71 -6.998 0.816 -11.898 536 HB THR 71 HB THR 71 -8.770 -0.661 -10.900 537 HG1 THR 71 1HG THR 71 -9.080 -0.533 -8.659 538 HG21 THR 71 1HG2 THR 71 -7.085 -1.671 -9.160 539 HG22 THR 71 2HG2 THR 71 -5.987 -0.466 -9.833 540 HG23 THR 71 3HG2 THR 71 -6.705 -1.688 -10.881 541 H SER 72 H SER 72 -8.016 2.022 -13.384 542 HA SER 72 HA SER 72 -10.337 3.609 -12.696 543 HB2 SER 72 1HB SER 72 -8.748 4.570 -14.251 544 HB3 SER 72 2HB SER 72 -8.895 3.176 -15.322 545 HG SER 72 HG SER 72 -10.356 5.384 -15.308 546 H SER 73 H SER 73 -12.219 2.594 -12.465 547 HA SER 73 HA SER 73 -12.852 0.338 -14.233 548 HB2 SER 73 1HB SER 73 -13.073 -0.200 -11.890 549 HB3 SER 73 2HB SER 73 -14.073 1.226 -11.611 550 HG SER 73 HG SER 73 -15.388 -0.589 -11.812 551 H GLY 74 H GLY 74 -14.720 0.283 -15.463 552 HA2 GLY 74 1HA GLY 74 -15.707 2.840 -16.318 553 HA3 GLY 74 2HA GLY 74 -16.203 1.271 -16.934 554 HA PRO 75 HA PRO 75 -19.304 3.248 -13.839 555 HB2 PRO 75 1HB PRO 75 -20.922 4.598 -15.550 556 HB3 PRO 75 2HB PRO 75 -19.533 5.345 -14.751 557 HG2 PRO 75 1HG PRO 75 -19.759 4.253 -17.530 558 HG3 PRO 75 2HG PRO 75 -18.988 5.750 -16.975 559 HD2 PRO 75 1HD PRO 75 -17.578 3.510 -17.547 560 HD3 PRO 75 2HD PRO 75 -17.075 4.660 -16.291 561 H SER 76 H SER 76 -20.343 1.372 -13.429 562 HA SER 76 HA SER 76 -22.367 0.508 -15.362 563 HB2 SER 76 1HB SER 76 -21.741 -1.770 -15.302 564 HB3 SER 76 2HB SER 76 -20.224 -0.898 -15.522 565 HG SER 76 HG SER 76 -20.568 -2.646 -13.750 566 H SER 77 H SER 77 -24.271 0.428 -14.391 567 HA SER 77 HA SER 77 -24.794 0.930 -11.753 568 HB2 SER 77 1HB SER 77 -27.027 -0.113 -12.142 569 HB3 SER 77 2HB SER 77 -26.551 0.999 -13.425 570 HG SER 77 HG SER 77 -27.363 -1.379 -13.808 571 H GLY 78 H GLY 78 -24.095 -0.106 -10.007 572 HA2 GLY 78 1HA GLY 78 -22.975 -2.571 -9.778 573 HA3 GLY 78 2HA GLY 78 -23.875 -1.815 -8.471 Start of MODEL 8 1 H1 GLY 1 H GLY 1 2.813 -21.724 -22.998 2 HA2 GLY 1 1HA GLY 1 5.366 -21.483 -21.527 3 HA3 GLY 1 2HA GLY 1 5.062 -20.655 -23.047 4 H SER 2 H SER 2 3.883 -18.773 -23.069 5 HA SER 2 HA SER 2 2.508 -17.847 -20.711 6 HB2 SER 2 1HB SER 2 4.714 -17.235 -20.005 7 HB3 SER 2 2HB SER 2 5.103 -16.571 -21.592 8 HG SER 2 HG SER 2 4.295 -14.756 -20.942 9 H SER 3 H SER 3 1.431 -15.780 -21.057 10 HA SER 3 HA SER 3 0.837 -15.376 -23.906 11 HB2 SER 3 1HB SER 3 -1.256 -14.277 -23.056 12 HB3 SER 3 2HB SER 3 -1.116 -15.983 -22.632 13 HG SER 3 HG SER 3 -1.729 -14.862 -20.806 14 H GLY 4 H GLY 4 0.195 -13.099 -24.499 15 HA2 GLY 4 1HA GLY 4 2.344 -11.334 -23.752 16 HA3 GLY 4 2HA GLY 4 1.076 -11.000 -24.922 17 H SER 5 H SER 5 1.074 -8.850 -23.970 18 HA SER 5 HA SER 5 0.370 -8.383 -21.276 19 HB2 SER 5 1HB SER 5 1.405 -6.666 -22.718 20 HB3 SER 5 2HB SER 5 -0.070 -6.597 -23.682 21 HG SER 5 HG SER 5 -0.029 -4.948 -22.113 22 H SER 6 H SER 6 -1.384 -9.646 -20.698 23 HA SER 6 HA SER 6 -3.887 -9.322 -22.161 24 HB2 SER 6 1HB SER 6 -2.908 -11.213 -20.052 25 HB3 SER 6 2HB SER 6 -4.642 -11.002 -20.289 26 HG SER 6 HG SER 6 -2.713 -11.937 -22.132 27 H GLY 7 H GLY 7 -4.906 -7.468 -21.682 28 HA2 GLY 7 1HA GLY 7 -6.160 -5.989 -20.442 29 HA3 GLY 7 2HA GLY 7 -6.026 -7.103 -19.089 30 H THR 8 H THR 8 -5.328 -5.986 -17.392 31 HA THR 8 HA THR 8 -3.058 -4.146 -17.782 32 HB THR 8 HB THR 8 -3.873 -2.996 -15.693 33 HG1 THR 8 1HG THR 8 -5.703 -3.630 -14.783 34 HG21 THR 8 1HG2 THR 8 -5.546 -1.684 -16.833 35 HG22 THR 8 2HG2 THR 8 -5.839 -2.988 -17.984 36 HG23 THR 8 3HG2 THR 8 -4.295 -2.138 -17.989 37 H LEU 9 H LEU 9 -1.320 -4.296 -16.425 38 HA LEU 9 HA LEU 9 -1.409 -6.396 -14.363 39 HB2 LEU 9 1HB LEU 9 -0.212 -7.268 -16.260 40 HB3 LEU 9 2HB LEU 9 0.791 -5.821 -16.341 41 HG LEU 9 HG LEU 9 1.715 -6.467 -14.089 42 HD11 LEU 9 1HD1 LEU 9 0.248 -9.028 -14.700 43 HD12 LEU 9 2HD1 LEU 9 -0.043 -7.941 -13.342 44 HD13 LEU 9 3HD1 LEU 9 1.474 -8.835 -13.447 45 HD21 LEU 9 1HD2 LEU 9 2.921 -8.559 -15.185 46 HD22 LEU 9 2HD2 LEU 9 3.239 -6.909 -15.721 47 HD23 LEU 9 3HD2 LEU 9 2.132 -7.935 -16.634 48 H ARG 10 H ARG 10 -0.309 -6.001 -12.472 49 HA ARG 10 HA ARG 10 -0.078 -3.420 -11.542 50 HB2 ARG 10 1HB ARG 10 1.392 -5.898 -10.631 51 HB3 ARG 10 2HB ARG 10 1.361 -4.386 -9.733 52 HG2 ARG 10 1HG ARG 10 -1.162 -5.812 -10.499 53 HG3 ARG 10 2HG ARG 10 -0.265 -6.218 -9.034 54 HD2 ARG 10 1HD ARG 10 -0.659 -4.141 -8.068 55 HD3 ARG 10 2HD ARG 10 -1.018 -3.382 -9.618 56 HE ARG 10 HE ARG 10 -2.848 -4.816 -7.920 57 HH11 ARG 10 2HH1 ARG 10 -2.185 -3.719 -11.157 58 HH12 ARG 10 1HH1 ARG 10 -3.846 -3.752 -11.648 59 HH21 ARG 10 2HH2 ARG 10 -5.038 -4.863 -8.555 60 HH22 ARG 10 1HH2 ARG 10 -5.469 -4.402 -10.167 61 H ASN 11 H ASN 11 1.177 -1.827 -12.235 62 HA ASN 11 HA ASN 11 3.907 -2.471 -13.133 63 HB2 ASN 11 1HB ASN 11 2.435 -1.517 -14.883 64 HB3 ASN 11 2HB ASN 11 2.202 -0.086 -13.883 65 HD21 ASN 11 1HD2 ASN 11 3.960 -1.402 -16.353 66 HD22 ASN 11 2HD2 ASN 11 5.311 -0.325 -16.338 67 H TYR 12 H TYR 12 4.498 -2.403 -10.833 68 HA TYR 12 HA TYR 12 4.270 -0.064 -9.276 69 HB2 TYR 12 1HB TYR 12 6.351 -2.252 -9.094 70 HB3 TYR 12 2HB TYR 12 5.972 -1.080 -7.836 71 HD1 TYR 12 2HD TYR 12 2.868 -1.377 -8.728 72 HD2 TYR 12 1HD TYR 12 5.921 -4.007 -7.361 73 HE1 TYR 12 2HE TYR 12 1.152 -2.893 -7.830 74 HE2 TYR 12 1HE TYR 12 4.214 -5.531 -6.460 75 HH TYR 12 HH TYR 12 1.777 -6.042 -6.919 76 HA PRO 13 HA PRO 13 5.621 0.863 -7.597 77 HB2 PRO 13 1HB PRO 13 5.705 3.559 -7.289 78 HB3 PRO 13 2HB PRO 13 7.099 2.515 -6.989 79 HG2 PRO 13 1HG PRO 13 6.452 4.164 -9.403 80 HG3 PRO 13 2HG PRO 13 8.006 3.956 -8.573 81 HD2 PRO 13 1HD PRO 13 7.381 2.630 -10.850 82 HD3 PRO 13 2HD PRO 13 8.422 1.931 -9.593 83 H LEU 14 H LEU 14 3.598 1.562 -6.807 84 HA LEU 14 HA LEU 14 1.821 2.840 -8.769 85 HB2 LEU 14 1HB LEU 14 1.454 0.261 -7.312 86 HB3 LEU 14 2HB LEU 14 0.044 1.243 -7.704 87 HG LEU 14 HG LEU 14 2.016 0.211 -9.739 88 HD11 LEU 14 1HD1 LEU 14 0.998 -1.753 -9.656 89 HD12 LEU 14 2HD1 LEU 14 -0.546 -0.972 -9.992 90 HD13 LEU 14 3HD1 LEU 14 -0.011 -1.186 -8.326 91 HD21 LEU 14 1HD2 LEU 14 -0.435 1.882 -9.839 92 HD22 LEU 14 2HD2 LEU 14 -0.184 0.709 -11.131 93 HD23 LEU 14 3HD2 LEU 14 1.028 1.954 -10.822 94 H THR 15 H THR 15 1.160 4.686 -7.905 95 HA THR 15 HA THR 15 1.180 5.171 -5.087 96 HB THR 15 HB THR 15 -0.273 6.975 -6.979 97 HG1 THR 15 1HG THR 15 1.675 7.762 -7.761 98 HG21 THR 15 1HG2 THR 15 1.681 7.523 -4.742 99 HG22 THR 15 2HG2 THR 15 -0.073 7.500 -4.562 100 HG23 THR 15 3HG2 THR 15 0.692 8.708 -5.594 101 H CYS 16 H CYS 16 -0.406 4.906 -3.652 102 HA CYS 16 HA CYS 16 -3.149 4.519 -4.652 103 HB2 CYS 16 1HB CYS 16 -3.432 2.931 -2.686 104 HB3 CYS 16 2HB CYS 16 -2.435 2.350 -4.014 105 HG CYS 16 HG CYS 16 -0.154 2.197 -2.735 106 H LYS 17 H LYS 17 -4.777 4.736 -2.792 107 HA LYS 17 HA LYS 17 -3.951 6.910 -0.986 108 HB2 LYS 17 1HB LYS 17 -5.224 7.932 -2.749 109 HB3 LYS 17 2HB LYS 17 -6.478 6.705 -2.626 110 HG2 LYS 17 1HG LYS 17 -7.463 8.442 -1.515 111 HG3 LYS 17 2HG LYS 17 -6.688 7.596 -0.174 112 HD2 LYS 17 1HD LYS 17 -5.996 9.730 0.264 113 HD3 LYS 17 2HD LYS 17 -4.680 9.202 -0.788 114 HE2 LYS 17 1HE LYS 17 -6.063 10.159 -2.707 115 HE3 LYS 17 2HE LYS 17 -7.034 10.944 -1.463 116 HZ1 LYS 17 1HZ LYS 17 -5.342 12.441 -2.230 117 HZ2 LYS 17 2HZ LYS 17 -4.123 11.310 -1.920 118 HZ3 LYS 17 3HZ LYS 17 -4.987 11.995 -0.637 119 H VAL 18 H VAL 18 -4.040 6.137 1.016 120 HA VAL 18 HA VAL 18 -5.556 3.889 1.805 121 HB VAL 18 HB VAL 18 -4.343 6.041 3.546 122 HG11 VAL 18 1HG1 VAL 18 -5.982 3.781 4.173 123 HG12 VAL 18 2HG1 VAL 18 -4.365 3.541 4.836 124 HG13 VAL 18 3HG1 VAL 18 -5.286 4.986 5.256 125 HG21 VAL 18 1HG2 VAL 18 -2.708 3.899 3.771 126 HG22 VAL 18 2HG2 VAL 18 -3.212 3.747 2.088 127 HG23 VAL 18 3HG2 VAL 18 -2.441 5.231 2.647 128 H VAL 19 H VAL 19 -7.699 3.830 1.915 129 HA VAL 19 HA VAL 19 -9.178 6.250 2.651 130 HB VAL 19 HB VAL 19 -11.177 4.702 2.011 131 HG11 VAL 19 1HG1 VAL 19 -9.534 6.504 0.584 132 HG12 VAL 19 2HG1 VAL 19 -9.952 5.189 -0.516 133 HG13 VAL 19 3HG1 VAL 19 -11.226 6.104 0.292 134 HG21 VAL 19 1HG2 VAL 19 -10.687 2.948 0.462 135 HG22 VAL 19 2HG2 VAL 19 -8.967 3.336 0.483 136 HG23 VAL 19 3HG2 VAL 19 -9.736 2.662 1.920 137 H TYR 20 H TYR 20 -8.442 3.028 3.748 138 HA TYR 20 HA TYR 20 -10.153 3.465 6.108 139 HB2 TYR 20 1HB TYR 20 -9.158 0.778 5.169 140 HB3 TYR 20 2HB TYR 20 -10.454 1.121 6.310 141 HD1 TYR 20 1HD TYR 20 -11.597 3.411 4.468 142 HD2 TYR 20 2HD TYR 20 -10.587 -0.674 3.836 143 HE1 TYR 20 1HE TYR 20 -13.239 3.294 2.641 144 HE2 TYR 20 2HE TYR 20 -12.226 -0.801 2.006 145 HH TYR 20 HH TYR 20 -14.530 1.676 1.427 146 H SER 21 H SER 21 -9.090 3.905 7.910 147 HA SER 21 HA SER 21 -6.297 3.858 8.147 148 HB2 SER 21 1HB SER 21 -6.683 4.311 10.544 149 HB3 SER 21 2HB SER 21 -7.702 5.321 9.519 150 HG SER 21 HG SER 21 -8.442 3.611 11.425 151 H TYR 22 H TYR 22 -4.920 2.550 9.422 152 HA TYR 22 HA TYR 22 -5.912 0.052 10.488 153 HB2 TYR 22 1HB TYR 22 -5.679 -0.557 8.151 154 HB3 TYR 22 2HB TYR 22 -4.047 0.100 8.107 155 HD1 TYR 22 2HD TYR 22 -6.077 -2.472 9.897 156 HD2 TYR 22 1HD TYR 22 -2.251 -1.330 8.425 157 HE1 TYR 22 2HE TYR 22 -5.181 -4.672 10.535 158 HE2 TYR 22 1HE TYR 22 -1.345 -3.528 9.057 159 HH TYR 22 HH TYR 22 -2.080 -5.357 10.910 160 H LYS 23 H LYS 23 -4.918 -0.091 12.375 161 HA LYS 23 HA LYS 23 -2.350 1.182 12.806 162 HB2 LYS 23 1HB LYS 23 -4.400 1.104 14.421 163 HB3 LYS 23 2HB LYS 23 -3.774 -0.481 14.858 164 HG2 LYS 23 1HG LYS 23 -1.559 0.697 15.297 165 HG3 LYS 23 2HG LYS 23 -2.480 2.201 15.215 166 HD2 LYS 23 1HD LYS 23 -3.412 -0.021 16.985 167 HD3 LYS 23 2HD LYS 23 -2.097 1.030 17.514 168 HE2 LYS 23 1HE LYS 23 -3.916 2.146 18.364 169 HE3 LYS 23 2HE LYS 23 -3.741 2.938 16.798 170 HZ1 LYS 23 1HZ LYS 23 -5.367 1.039 16.071 171 HZ2 LYS 23 2HZ LYS 23 -5.953 2.459 16.779 172 HZ3 LYS 23 3HZ LYS 23 -5.792 1.055 17.709 173 H ALA 24 H ALA 24 -0.557 0.138 12.257 174 HA ALA 24 HA ALA 24 -0.338 -2.595 11.730 175 HB1 ALA 24 1HB ALA 24 1.231 -0.880 10.905 176 HB2 ALA 24 2HB ALA 24 1.885 -0.724 12.536 177 HB3 ALA 24 3HB ALA 24 2.052 -2.246 11.661 178 H SER 25 H SER 25 -0.158 -4.327 12.992 179 HA SER 25 HA SER 25 0.188 -3.927 15.870 180 HB2 SER 25 1HB SER 25 -0.983 -6.121 14.190 181 HB3 SER 25 2HB SER 25 -0.465 -6.460 15.841 182 HG SER 25 HG SER 25 -2.234 -5.558 16.489 183 H GLN 26 H GLN 26 1.593 -5.639 13.134 184 HA GLN 26 HA GLN 26 3.687 -6.755 14.835 185 HB2 GLN 26 1HB GLN 26 2.899 -7.194 11.962 186 HB3 GLN 26 2HB GLN 26 4.416 -7.805 12.610 187 HG2 GLN 26 1HG GLN 26 1.695 -8.468 13.709 188 HG3 GLN 26 2HG GLN 26 2.601 -9.477 12.583 189 HE21 GLN 26 1HE2 GLN 26 4.664 -10.303 13.297 190 HE22 GLN 26 2HE2 GLN 26 4.920 -10.620 14.976 191 HA PRO 27 HA PRO 27 6.667 -3.681 13.855 192 HB2 PRO 27 1HB PRO 27 8.947 -5.142 14.052 193 HB3 PRO 27 2HB PRO 27 7.995 -4.652 15.459 194 HG2 PRO 27 1HG PRO 27 8.037 -7.278 14.022 195 HG3 PRO 27 2HG PRO 27 8.014 -6.957 15.766 196 HD2 PRO 27 1HD PRO 27 5.792 -7.650 14.383 197 HD3 PRO 27 2HD PRO 27 5.742 -6.572 15.793 198 H ASP 28 H ASP 28 5.860 -6.125 11.785 199 HA ASP 28 HA ASP 28 7.865 -5.326 9.782 200 HB2 ASP 28 1HB ASP 28 6.327 -7.866 10.210 201 HB3 ASP 28 2HB ASP 28 6.929 -7.462 8.604 202 H GLU 29 H GLU 29 4.802 -4.651 10.710 203 HA GLU 29 HA GLU 29 3.673 -4.480 8.024 204 HB2 GLU 29 1HB GLU 29 2.581 -4.263 10.793 205 HB3 GLU 29 2HB GLU 29 1.721 -3.455 9.491 206 HG2 GLU 29 1HG GLU 29 1.165 -5.429 8.446 207 HG3 GLU 29 2HG GLU 29 2.490 -6.320 9.194 208 H LEU 30 H LEU 30 2.214 -2.325 7.882 209 HA LEU 30 HA LEU 30 3.975 -0.052 8.516 210 HB2 LEU 30 1HB LEU 30 3.827 -0.960 6.051 211 HB3 LEU 30 2HB LEU 30 2.323 -0.043 6.036 212 HG LEU 30 HG LEU 30 4.289 1.159 5.080 213 HD11 LEU 30 1HD1 LEU 30 3.833 3.033 7.118 214 HD12 LEU 30 2HD1 LEU 30 2.351 2.087 6.974 215 HD13 LEU 30 3HD1 LEU 30 3.015 2.907 5.560 216 HD21 LEU 30 1HD2 LEU 30 5.293 1.703 7.814 217 HD22 LEU 30 2HD2 LEU 30 6.151 1.675 6.274 218 HD23 LEU 30 3HD2 LEU 30 5.734 0.162 7.079 219 H THR 31 H THR 31 2.964 1.262 9.870 220 HA THR 31 HA THR 31 0.160 1.212 10.306 221 HB THR 31 HB THR 31 2.188 3.273 11.194 222 HG1 THR 31 1HG THR 31 2.789 1.510 12.270 223 HG21 THR 31 1HG2 THR 31 -0.525 3.545 11.244 224 HG22 THR 31 2HG2 THR 31 0.581 4.312 12.383 225 HG23 THR 31 3HG2 THR 31 -0.216 2.799 12.811 226 H ILE 32 H ILE 32 -1.252 1.946 8.855 227 HA ILE 32 HA ILE 32 -0.603 4.401 7.369 228 HB ILE 32 HB ILE 32 -2.320 3.716 5.754 229 HG12 ILE 32 1HG1 ILE 32 -2.517 1.233 7.472 230 HG13 ILE 32 2HG1 ILE 32 -3.774 2.445 7.250 231 HG21 ILE 32 1HG2 ILE 32 0.048 2.049 6.363 232 HG22 ILE 32 2HG2 ILE 32 -1.084 1.428 5.164 233 HG23 ILE 32 3HG2 ILE 32 -0.330 3.004 4.930 234 HD11 ILE 32 1HD1 ILE 32 -3.051 0.176 5.588 235 HD12 ILE 32 2HD1 ILE 32 -4.551 1.100 5.662 236 HD13 ILE 32 3HD1 ILE 32 -3.207 1.680 4.680 237 H GLU 33 H GLU 33 -2.600 5.711 6.766 238 HA GLU 33 HA GLU 33 -4.750 5.641 8.710 239 HB2 GLU 33 1HB GLU 33 -2.581 7.674 8.739 240 HB3 GLU 33 2HB GLU 33 -4.223 8.250 8.990 241 HG2 GLU 33 1HG GLU 33 -4.463 6.620 10.837 242 HG3 GLU 33 2HG GLU 33 -2.769 6.183 10.623 243 H GLU 34 H GLU 34 -6.606 6.626 7.998 244 HA GLU 34 HA GLU 34 -7.199 6.806 5.363 245 HB2 GLU 34 1HB GLU 34 -8.854 6.946 7.202 246 HB3 GLU 34 2HB GLU 34 -8.359 8.607 7.496 247 HG2 GLU 34 1HG GLU 34 -9.084 9.207 5.229 248 HG3 GLU 34 2HG GLU 34 -9.624 7.547 4.979 249 H HIS 35 H HIS 35 -7.160 8.318 3.742 250 HA HIS 35 HA HIS 35 -6.480 10.131 2.544 251 HB2 HIS 35 1HB HIS 35 -6.242 11.514 5.223 252 HB3 HIS 35 2HB HIS 35 -6.327 12.294 3.646 253 HD1 HIS 35 1HD HIS 35 -8.705 11.136 2.339 254 HD2 HIS 35 2HD HIS 35 -8.622 11.901 6.422 255 HE1 HIS 35 1HE HIS 35 -11.114 11.324 3.037 256 HE2 HIS 35 2HE HIS 35 -11.037 11.872 5.494 257 H GLU 36 H GLU 36 -4.587 8.283 2.861 258 HA GLU 36 HA GLU 36 -2.148 9.885 3.196 259 HB2 GLU 36 1HB GLU 36 -2.271 8.564 5.195 260 HB3 GLU 36 2HB GLU 36 -2.647 7.112 4.278 261 HG2 GLU 36 1HG GLU 36 -0.473 6.876 3.511 262 HG3 GLU 36 2HG GLU 36 -0.071 8.561 3.835 263 H VAL 37 H VAL 37 -1.155 9.967 1.302 264 HA VAL 37 HA VAL 37 -1.630 7.945 -0.718 265 HB VAL 37 HB VAL 37 0.131 10.396 -0.855 266 HG11 VAL 37 1HG1 VAL 37 -1.072 9.062 -3.231 267 HG12 VAL 37 2HG1 VAL 37 0.411 10.009 -3.098 268 HG13 VAL 37 3HG1 VAL 37 0.363 8.353 -2.492 269 HG21 VAL 37 1HG2 VAL 37 -2.542 10.452 -0.519 270 HG22 VAL 37 2HG2 VAL 37 -1.647 11.659 -1.442 271 HG23 VAL 37 3HG2 VAL 37 -2.451 10.328 -2.276 272 H LEU 38 H LEU 38 -0.436 6.175 -0.876 273 HA LEU 38 HA LEU 38 2.343 6.255 0.097 274 HB2 LEU 38 1HB LEU 38 0.611 3.814 -0.223 275 HB3 LEU 38 2HB LEU 38 2.180 3.918 0.572 276 HG LEU 38 HG LEU 38 -0.226 5.393 1.605 277 HD11 LEU 38 1HD1 LEU 38 0.658 2.728 2.650 278 HD12 LEU 38 2HD1 LEU 38 -0.550 2.857 1.372 279 HD13 LEU 38 3HD1 LEU 38 -0.849 3.595 2.945 280 HD21 LEU 38 1HD2 LEU 38 1.096 5.118 3.744 281 HD22 LEU 38 2HD2 LEU 38 1.785 6.205 2.538 282 HD23 LEU 38 3HD2 LEU 38 2.439 4.578 2.736 283 H GLU 39 H GLU 39 3.494 4.149 -0.993 284 HA GLU 39 HA GLU 39 2.973 4.204 -3.877 285 HB2 GLU 39 1HB GLU 39 4.785 5.875 -3.165 286 HB3 GLU 39 2HB GLU 39 5.773 4.467 -2.802 287 HG2 GLU 39 1HG GLU 39 5.842 3.796 -5.046 288 HG3 GLU 39 2HG GLU 39 4.512 4.865 -5.492 289 H VAL 40 H VAL 40 2.496 2.136 -4.264 290 HA VAL 40 HA VAL 40 3.606 -0.039 -2.785 291 HB VAL 40 HB VAL 40 2.025 -0.046 -5.359 292 HG11 VAL 40 1HG1 VAL 40 2.983 -2.131 -5.405 293 HG12 VAL 40 2HG1 VAL 40 3.104 -2.234 -3.648 294 HG13 VAL 40 3HG1 VAL 40 1.543 -2.455 -4.440 295 HG21 VAL 40 1HG2 VAL 40 0.379 0.600 -3.982 296 HG22 VAL 40 2HG2 VAL 40 0.418 -1.063 -3.396 297 HG23 VAL 40 3HG2 VAL 40 1.303 0.196 -2.534 298 H ILE 41 H ILE 41 5.757 -0.342 -2.985 299 HA ILE 41 HA ILE 41 7.014 -0.221 -5.609 300 HB ILE 41 HB ILE 41 9.127 -0.612 -4.370 301 HG12 ILE 41 1HG1 ILE 41 7.343 -0.476 -1.929 302 HG13 ILE 41 2HG1 ILE 41 8.178 -1.914 -2.505 303 HG21 ILE 41 1HG2 ILE 41 7.774 1.620 -2.943 304 HG22 ILE 41 2HG2 ILE 41 9.339 1.580 -3.754 305 HG23 ILE 41 3HG2 ILE 41 7.856 1.670 -4.704 306 HD11 ILE 41 1HD1 ILE 41 9.344 0.563 -1.293 307 HD12 ILE 41 2HD1 ILE 41 9.487 -1.109 -0.750 308 HD13 ILE 41 3HD1 ILE 41 10.323 -0.581 -2.210 309 H GLU 42 H GLU 42 6.188 -2.565 -3.123 310 HA GLU 42 HA GLU 42 6.951 -4.709 -4.992 311 HB2 GLU 42 1HB GLU 42 7.366 -4.570 -2.011 312 HB3 GLU 42 2HB GLU 42 7.383 -6.093 -2.889 313 HG2 GLU 42 1HG GLU 42 9.322 -5.544 -4.051 314 HG3 GLU 42 2HG GLU 42 9.154 -3.824 -3.704 315 H ASP 43 H ASP 43 5.799 -6.786 -4.530 316 HA ASP 43 HA ASP 43 2.979 -6.205 -4.054 317 HB2 ASP 43 1HB ASP 43 2.835 -8.703 -4.864 318 HB3 ASP 43 2HB ASP 43 3.126 -7.407 -6.021 319 H GLY 44 H GLY 44 4.814 -6.310 -1.813 320 HA2 GLY 44 1HA GLY 44 4.950 -7.200 0.300 321 HA3 GLY 44 2HA GLY 44 3.295 -7.727 0.032 322 H ASP 45 H ASP 45 4.288 -9.438 1.537 323 HA ASP 45 HA ASP 45 5.630 -11.523 -0.046 324 HB2 ASP 45 1HB ASP 45 6.851 -10.878 1.961 325 HB3 ASP 45 2HB ASP 45 5.426 -11.178 2.952 326 H MET 46 H MET 46 2.628 -10.624 1.030 327 HA MET 46 HA MET 46 1.694 -13.395 1.327 328 HB2 MET 46 1HB MET 46 1.178 -11.407 2.996 329 HB3 MET 46 2HB MET 46 -0.084 -11.048 1.825 330 HG2 MET 46 1HG MET 46 -1.277 -12.920 2.322 331 HG3 MET 46 2HG MET 46 0.151 -13.840 2.792 332 HE1 MET 46 1HE MET 46 -3.022 -12.082 4.403 333 HE2 MET 46 2HE MET 46 -2.649 -13.755 3.992 334 HE3 MET 46 3HE MET 46 -2.690 -13.250 5.682 335 H GLU 47 H GLU 47 -0.797 -13.439 0.552 336 HA GLU 47 HA GLU 47 -0.652 -12.852 -2.306 337 HB2 GLU 47 1HB GLU 47 -2.741 -14.318 -2.359 338 HB3 GLU 47 2HB GLU 47 -1.227 -15.102 -1.927 339 HG2 GLU 47 1HG GLU 47 -3.035 -14.061 0.208 340 HG3 GLU 47 2HG GLU 47 -3.374 -15.606 -0.571 341 H ASP 48 H ASP 48 -2.011 -11.588 0.506 342 HA ASP 48 HA ASP 48 -3.876 -9.966 -1.091 343 HB2 ASP 48 1HB ASP 48 -5.314 -9.898 1.029 344 HB3 ASP 48 2HB ASP 48 -5.333 -11.392 0.095 345 H TRP 49 H TRP 49 -1.074 -9.695 0.137 346 HA TRP 49 HA TRP 49 -1.578 -7.073 1.368 347 HB2 TRP 49 1HB TRP 49 0.381 -9.169 2.323 348 HB3 TRP 49 2HB TRP 49 0.383 -7.497 2.875 349 HD1 TRP 49 HD TRP 49 -2.277 -10.335 2.670 350 HE1 TRP 49 1HE TRP 49 -3.640 -10.287 4.852 351 HE3 TRP 49 3HE TRP 49 -0.001 -6.372 4.963 352 HZ2 TRP 49 2HZ TRP 49 -3.739 -8.770 7.231 353 HZ3 TRP 49 3HZ TRP 49 -0.790 -5.686 7.190 354 HH2 TRP 49 HH TRP 49 -2.621 -6.861 8.299 355 H VAL 50 H VAL 50 0.082 -5.513 1.067 356 HA VAL 50 HA VAL 50 2.135 -6.195 -0.918 357 HB VAL 50 HB VAL 50 1.704 -4.061 -2.107 358 HG11 VAL 50 1HG1 VAL 50 0.845 -6.061 -3.087 359 HG12 VAL 50 2HG1 VAL 50 -0.543 -6.066 -1.998 360 HG13 VAL 50 3HG1 VAL 50 -0.397 -4.818 -3.236 361 HG21 VAL 50 1HG2 VAL 50 0.016 -2.619 -1.591 362 HG22 VAL 50 2HG2 VAL 50 -1.006 -3.882 -0.905 363 HG23 VAL 50 3HG2 VAL 50 0.350 -3.244 0.024 364 H LYS 51 H LYS 51 3.758 -4.386 -1.148 365 HA LYS 51 HA LYS 51 4.310 -3.266 1.514 366 HB2 LYS 51 1HB LYS 51 5.913 -4.903 0.218 367 HB3 LYS 51 2HB LYS 51 6.382 -3.440 -0.637 368 HG2 LYS 51 1HG LYS 51 7.093 -2.401 1.400 369 HG3 LYS 51 2HG LYS 51 6.456 -3.741 2.356 370 HD2 LYS 51 1HD LYS 51 8.079 -5.144 0.809 371 HD3 LYS 51 2HD LYS 51 8.911 -3.593 0.681 372 HE2 LYS 51 1HE LYS 51 8.960 -3.480 3.162 373 HE3 LYS 51 2HE LYS 51 8.261 -5.098 3.212 374 HZ1 LYS 51 1HZ LYS 51 10.534 -5.043 1.520 375 HZ2 LYS 51 2HZ LYS 51 10.251 -5.986 2.895 376 HZ3 LYS 51 3HZ LYS 51 10.935 -4.447 3.052 377 H ALA 52 H ALA 52 3.979 -1.164 1.749 378 HA ALA 52 HA ALA 52 4.522 0.620 -0.525 379 HB1 ALA 52 1HB ALA 52 2.527 1.756 -0.340 380 HB2 ALA 52 2HB ALA 52 2.020 0.099 -0.006 381 HB3 ALA 52 3HB ALA 52 2.259 1.233 1.323 382 H ARG 53 H ARG 53 5.358 2.635 -0.017 383 HA ARG 53 HA ARG 53 6.330 2.899 2.743 384 HB2 ARG 53 1HB ARG 53 8.050 2.797 0.982 385 HB3 ARG 53 2HB ARG 53 7.338 4.208 0.212 386 HG2 ARG 53 1HG ARG 53 7.842 5.534 2.219 387 HG3 ARG 53 2HG ARG 53 8.606 4.117 2.941 388 HD2 ARG 53 1HD ARG 53 10.420 5.233 2.055 389 HD3 ARG 53 2HD ARG 53 10.023 4.105 0.760 390 HE ARG 53 HE ARG 53 8.747 6.671 0.507 391 HH11 ARG 53 2HH1 ARG 53 11.597 4.799 -0.191 392 HH12 ARG 53 1HH1 ARG 53 12.072 5.781 -1.537 393 HH21 ARG 53 2HH2 ARG 53 9.360 7.972 -1.263 394 HH22 ARG 53 1HH2 ARG 53 10.799 7.586 -2.146 395 H ASN 54 H ASN 54 6.176 4.867 3.847 396 HA ASN 54 HA ASN 54 4.028 6.611 2.868 397 HB2 ASN 54 1HB ASN 54 4.246 7.406 5.392 398 HB3 ASN 54 2HB ASN 54 3.329 5.966 4.959 399 HD21 ASN 54 1HD2 ASN 54 3.707 5.360 7.184 400 HD22 ASN 54 2HD2 ASN 54 5.193 4.588 7.611 401 H LYS 55 H LYS 55 4.360 8.905 4.148 402 HA LYS 55 HA LYS 55 6.393 10.218 2.710 403 HB2 LYS 55 1HB LYS 55 5.758 12.205 3.951 404 HB3 LYS 55 2HB LYS 55 4.317 11.317 3.471 405 HG2 LYS 55 1HG LYS 55 5.486 10.824 6.165 406 HG3 LYS 55 2HG LYS 55 4.551 12.295 5.883 407 HD2 LYS 55 1HD LYS 55 2.839 10.602 4.816 408 HD3 LYS 55 2HD LYS 55 3.676 9.445 5.853 409 HE2 LYS 55 1HE LYS 55 1.878 10.229 7.143 410 HE3 LYS 55 2HE LYS 55 3.286 11.104 7.744 411 HZ1 LYS 55 1HZ LYS 55 1.082 12.101 6.054 412 HZ2 LYS 55 2HZ LYS 55 2.573 12.897 6.090 413 HZ3 LYS 55 3HZ LYS 55 1.669 12.731 7.510 414 H VAL 56 H VAL 56 6.264 8.906 5.954 415 HA VAL 56 HA VAL 56 8.646 10.161 6.893 416 HB VAL 56 HB VAL 56 8.550 8.548 8.742 417 HG11 VAL 56 1HG1 VAL 56 6.038 9.973 7.935 418 HG12 VAL 56 2HG1 VAL 56 6.148 9.101 9.466 419 HG13 VAL 56 3HG1 VAL 56 7.244 10.443 9.132 420 HG21 VAL 56 1HG2 VAL 56 6.091 7.263 8.319 421 HG22 VAL 56 2HG2 VAL 56 7.023 7.033 6.840 422 HG23 VAL 56 3HG2 VAL 56 7.692 6.527 8.391 423 H GLY 57 H GLY 57 8.098 7.669 4.695 424 HA2 GLY 57 1HA GLY 57 9.825 6.664 3.432 425 HA3 GLY 57 2HA GLY 57 10.938 6.966 4.758 426 H GLN 58 H GLN 58 8.601 5.841 6.499 427 HA GLN 58 HA GLN 58 9.687 3.336 6.982 428 HB2 GLN 58 1HB GLN 58 7.108 4.662 7.648 429 HB3 GLN 58 2HB GLN 58 7.211 2.923 7.883 430 HG2 GLN 58 1HG GLN 58 9.155 3.235 9.330 431 HG3 GLN 58 2HG GLN 58 9.040 4.979 9.101 432 HE21 GLN 58 1HE2 GLN 58 7.846 6.095 10.483 433 HE22 GLN 58 2HE2 GLN 58 6.716 5.428 11.606 434 H VAL 59 H VAL 59 9.068 1.228 6.448 435 HA VAL 59 HA VAL 59 7.188 0.932 4.211 436 HB VAL 59 HB VAL 59 9.896 -0.401 4.298 437 HG11 VAL 59 1HG1 VAL 59 8.147 -0.290 1.889 438 HG12 VAL 59 2HG1 VAL 59 9.348 -1.496 2.358 439 HG13 VAL 59 3HG1 VAL 59 7.776 -1.457 3.158 440 HG21 VAL 59 1HG2 VAL 59 9.357 2.224 3.613 441 HG22 VAL 59 2HG2 VAL 59 10.780 1.293 3.146 442 HG23 VAL 59 3HG2 VAL 59 9.390 1.381 2.064 443 H GLY 60 H GLY 60 5.814 -0.721 4.452 444 HA2 GLY 60 1HA GLY 60 6.552 -3.101 5.917 445 HA3 GLY 60 2HA GLY 60 5.360 -2.101 6.734 446 H TYR 61 H TYR 61 4.462 -4.488 6.272 447 HA TYR 61 HA TYR 61 3.223 -4.691 3.657 448 HB2 TYR 61 1HB TYR 61 2.985 -6.472 6.091 449 HB3 TYR 61 2HB TYR 61 2.331 -6.831 4.498 450 HD1 TYR 61 2HD TYR 61 4.462 -6.149 2.676 451 HD2 TYR 61 1HD TYR 61 4.703 -7.960 6.519 452 HE1 TYR 61 2HE TYR 61 6.588 -7.208 2.038 453 HE2 TYR 61 1HE TYR 61 6.830 -9.023 5.891 454 HH TYR 61 HH TYR 61 8.271 -9.422 4.236 455 H VAL 62 H VAL 62 1.170 -4.197 3.168 456 HA VAL 62 HA VAL 62 -0.723 -3.651 5.343 457 HB VAL 62 HB VAL 62 -1.547 -1.650 4.080 458 HG11 VAL 62 1HG1 VAL 62 1.189 -1.727 5.303 459 HG12 VAL 62 2HG1 VAL 62 0.481 -0.212 4.739 460 HG13 VAL 62 3HG1 VAL 62 -0.324 -1.147 6.000 461 HG21 VAL 62 1HG2 VAL 62 0.262 -2.583 2.140 462 HG22 VAL 62 2HG2 VAL 62 -0.734 -1.129 2.079 463 HG23 VAL 62 3HG2 VAL 62 0.905 -1.049 2.726 464 HA PRO 63 HA PRO 63 -3.569 -5.920 2.880 465 HB2 PRO 63 1HB PRO 63 -5.910 -4.841 3.735 466 HB3 PRO 63 2HB PRO 63 -4.939 -5.939 4.725 467 HG2 PRO 63 1HG PRO 63 -5.092 -2.950 4.805 468 HG3 PRO 63 2HG PRO 63 -5.058 -4.105 6.150 469 HD2 PRO 63 1HD PRO 63 -2.866 -2.729 5.355 470 HD3 PRO 63 2HD PRO 63 -2.771 -4.368 6.031 471 H GLU 64 H GLU 64 -3.704 -5.586 0.749 472 HA GLU 64 HA GLU 64 -3.916 -3.101 -0.514 473 HB2 GLU 64 1HB GLU 64 -3.060 -5.023 -1.699 474 HB3 GLU 64 2HB GLU 64 -4.591 -5.868 -1.521 475 HG2 GLU 64 1HG GLU 64 -4.589 -3.248 -2.917 476 HG3 GLU 64 2HG GLU 64 -3.929 -4.650 -3.758 477 H LYS 65 H LYS 65 -6.340 -5.230 0.765 478 HA LYS 65 HA LYS 65 -8.576 -4.266 -0.657 479 HB2 LYS 65 1HB LYS 65 -8.490 -5.409 2.141 480 HB3 LYS 65 2HB LYS 65 -9.915 -5.280 1.118 481 HG2 LYS 65 1HG LYS 65 -8.469 -6.715 -0.535 482 HG3 LYS 65 2HG LYS 65 -7.617 -7.161 0.945 483 HD2 LYS 65 1HD LYS 65 -10.608 -7.301 0.782 484 HD3 LYS 65 2HD LYS 65 -9.602 -8.618 0.173 485 HE2 LYS 65 1HE LYS 65 -10.118 -9.216 2.384 486 HE3 LYS 65 2HE LYS 65 -8.471 -8.592 2.453 487 HZ1 LYS 65 1HZ LYS 65 -10.622 -7.758 3.954 488 HZ2 LYS 65 2HZ LYS 65 -10.360 -6.510 2.842 489 HZ3 LYS 65 3HZ LYS 65 -9.104 -7.016 3.856 490 H TYR 66 H TYR 66 -6.618 -2.769 1.642 491 HA TYR 66 HA TYR 66 -8.741 -0.899 2.437 492 HB2 TYR 66 1HB TYR 66 -6.039 -1.519 3.625 493 HB3 TYR 66 2HB TYR 66 -6.980 -0.112 4.107 494 HD1 TYR 66 1HD TYR 66 -7.903 -3.672 3.426 495 HD2 TYR 66 2HD TYR 66 -7.865 -0.454 6.210 496 HE1 TYR 66 1HE TYR 66 -9.139 -5.059 5.038 497 HE2 TYR 66 2HE TYR 66 -9.101 -1.833 7.829 498 HH TYR 66 HH TYR 66 -9.309 -4.535 8.165 499 H LEU 67 H LEU 67 -6.013 -1.225 0.426 500 HA LEU 67 HA LEU 67 -5.453 1.620 0.288 501 HB2 LEU 67 1HB LEU 67 -4.335 -0.724 -1.240 502 HB3 LEU 67 2HB LEU 67 -3.797 0.943 -1.434 503 HG LEU 67 HG LEU 67 -3.617 -0.560 1.171 504 HD11 LEU 67 1HD1 LEU 67 -2.031 -1.787 0.190 505 HD12 LEU 67 2HD1 LEU 67 -1.060 -0.315 0.222 506 HD13 LEU 67 3HD1 LEU 67 -1.968 -0.740 -1.228 507 HD21 LEU 67 1HD2 LEU 67 -2.695 2.090 0.157 508 HD22 LEU 67 2HD2 LEU 67 -1.745 1.252 1.384 509 HD23 LEU 67 3HD2 LEU 67 -3.429 1.670 1.704 510 H GLN 68 H GLN 68 -5.753 2.908 -1.551 511 HA GLN 68 HA GLN 68 -7.870 1.941 -3.345 512 HB2 GLN 68 1HB GLN 68 -8.337 3.957 -1.937 513 HB3 GLN 68 2HB GLN 68 -7.055 4.798 -2.798 514 HG2 GLN 68 1HG GLN 68 -8.333 4.312 -4.919 515 HG3 GLN 68 2HG GLN 68 -9.666 3.796 -3.887 516 HE21 GLN 68 1HE2 GLN 68 -10.785 5.540 -5.031 517 HE22 GLN 68 2HE2 GLN 68 -10.651 7.150 -4.419 518 H PHE 69 H PHE 69 -6.446 0.866 -4.776 519 HA PHE 69 HA PHE 69 -4.212 2.055 -5.998 520 HB2 PHE 69 1HB PHE 69 -5.985 -0.262 -6.692 521 HB3 PHE 69 2HB PHE 69 -4.766 0.284 -7.839 522 HD1 PHE 69 1HD PHE 69 -4.779 -0.118 -4.130 523 HD2 PHE 69 2HD PHE 69 -2.988 -1.163 -7.847 524 HE1 PHE 69 1HE PHE 69 -3.075 -1.431 -2.935 525 HE2 PHE 69 2HE PHE 69 -1.282 -2.478 -6.658 526 HZ PHE 69 HZ PHE 69 -1.324 -2.614 -4.200 527 HA PRO 70 HA PRO 70 -5.831 4.756 -9.051 528 HB2 PRO 70 1HB PRO 70 -4.126 4.352 -11.124 529 HB3 PRO 70 2HB PRO 70 -3.660 5.210 -9.651 530 HG2 PRO 70 1HG PRO 70 -3.143 2.367 -10.430 531 HG3 PRO 70 2HG PRO 70 -2.046 3.536 -9.672 532 HD2 PRO 70 1HD PRO 70 -3.325 1.611 -8.261 533 HD3 PRO 70 2HD PRO 70 -2.938 3.202 -7.573 534 H THR 71 H THR 71 -5.831 1.393 -9.527 535 HA THR 71 HA THR 71 -7.443 1.643 -11.979 536 HB THR 71 HB THR 71 -6.069 -0.825 -10.898 537 HG1 THR 71 1HG THR 71 -5.374 0.734 -13.178 538 HG21 THR 71 1HG2 THR 71 -7.823 -1.643 -12.176 539 HG22 THR 71 2HG2 THR 71 -6.527 -1.521 -13.366 540 HG23 THR 71 3HG2 THR 71 -7.778 -0.281 -13.295 541 H SER 72 H SER 72 -9.528 1.802 -11.419 542 HA SER 72 HA SER 72 -10.636 -0.296 -9.692 543 HB2 SER 72 1HB SER 72 -12.100 1.328 -8.582 544 HB3 SER 72 2HB SER 72 -10.405 1.744 -8.326 545 HG SER 72 HG SER 72 -11.032 3.623 -9.046 546 H SER 73 H SER 73 -12.595 -1.090 -10.312 547 HA SER 73 HA SER 73 -13.397 -1.080 -12.908 548 HB2 SER 73 1HB SER 73 -14.936 -1.528 -10.367 549 HB3 SER 73 2HB SER 73 -15.755 -1.608 -11.927 550 HG SER 73 HG SER 73 -14.620 -3.363 -12.457 551 H GLY 74 H GLY 74 -15.399 -0.204 -13.916 552 HA2 GLY 74 1HA GLY 74 -15.991 2.529 -12.973 553 HA3 GLY 74 2HA GLY 74 -15.607 2.216 -14.659 554 HA PRO 75 HA PRO 75 -20.204 2.124 -14.257 555 HB2 PRO 75 1HB PRO 75 -20.654 3.509 -16.549 556 HB3 PRO 75 2HB PRO 75 -20.354 4.295 -14.994 557 HG2 PRO 75 1HG PRO 75 -18.463 3.795 -17.260 558 HG3 PRO 75 2HG PRO 75 -18.657 5.250 -16.266 559 HD2 PRO 75 1HD PRO 75 -16.671 3.457 -15.851 560 HD3 PRO 75 2HD PRO 75 -17.413 4.383 -14.530 561 H SER 76 H SER 76 -17.873 1.048 -16.517 562 HA SER 76 HA SER 76 -19.301 0.015 -18.615 563 HB2 SER 76 1HB SER 76 -17.048 -1.443 -17.216 564 HB3 SER 76 2HB SER 76 -17.528 -1.601 -18.906 565 HG SER 76 HG SER 76 -16.248 0.554 -17.618 566 H SER 77 H SER 77 -21.041 -1.226 -18.677 567 HA SER 77 HA SER 77 -22.048 -2.656 -16.473 568 HB2 SER 77 1HB SER 77 -23.626 -3.656 -18.157 569 HB3 SER 77 2HB SER 77 -23.563 -1.893 -18.181 570 HG SER 77 HG SER 77 -23.216 -2.212 -20.237 571 H GLY 78 H GLY 78 -22.033 -4.811 -15.937 572 HA2 GLY 78 1HA GLY 78 -21.585 -7.116 -16.922 573 HA3 GLY 78 2HA GLY 78 -20.024 -6.439 -17.359 Start of MODEL 9 1 H1 GLY 1 H GLY 1 4.773 -2.990 -30.254 2 HA2 GLY 1 1HA GLY 1 5.082 -4.600 -27.983 3 HA3 GLY 1 2HA GLY 1 5.622 -2.979 -27.568 4 H SER 2 H SER 2 4.075 -2.078 -26.377 5 HA SER 2 HA SER 2 1.975 -1.601 -25.566 6 HB2 SER 2 1HB SER 2 0.760 -0.163 -27.023 7 HB3 SER 2 2HB SER 2 2.458 0.034 -27.457 8 HG SER 2 HG SER 2 1.779 -1.835 -29.004 9 H SER 3 H SER 3 2.151 -4.319 -25.961 10 HA SER 3 HA SER 3 0.256 -5.509 -27.606 11 HB2 SER 3 1HB SER 3 1.969 -6.764 -26.343 12 HB3 SER 3 2HB SER 3 1.108 -6.414 -24.844 13 HG SER 3 HG SER 3 -0.234 -7.657 -26.978 14 H GLY 4 H GLY 4 -1.904 -5.786 -27.536 15 HA2 GLY 4 1HA GLY 4 -3.376 -4.262 -25.539 16 HA3 GLY 4 2HA GLY 4 -4.038 -4.982 -26.999 17 H SER 5 H SER 5 -3.438 -7.591 -26.810 18 HA SER 5 HA SER 5 -5.383 -8.684 -25.234 19 HB2 SER 5 1HB SER 5 -3.779 -9.747 -27.040 20 HB3 SER 5 2HB SER 5 -2.866 -10.257 -25.620 21 HG SER 5 HG SER 5 -5.640 -10.697 -25.738 22 H SER 6 H SER 6 -1.914 -8.589 -24.410 23 HA SER 6 HA SER 6 -2.184 -9.630 -21.822 24 HB2 SER 6 1HB SER 6 -0.009 -9.598 -22.810 25 HB3 SER 6 2HB SER 6 -0.075 -7.853 -23.057 26 HG SER 6 HG SER 6 0.838 -9.180 -20.947 27 H GLY 7 H GLY 7 -3.846 -8.673 -20.682 28 HA2 GLY 7 1HA GLY 7 -4.426 -5.976 -20.449 29 HA3 GLY 7 2HA GLY 7 -4.768 -7.173 -19.209 30 H THR 8 H THR 8 -3.458 -4.285 -19.556 31 HA THR 8 HA THR 8 -0.904 -4.401 -18.423 32 HB THR 8 HB THR 8 -1.278 -2.047 -17.737 33 HG1 THR 8 1HG THR 8 -3.812 -2.100 -18.949 34 HG21 THR 8 1HG2 THR 8 -0.523 -2.376 -19.971 35 HG22 THR 8 2HG2 THR 8 -1.819 -1.182 -20.046 36 HG23 THR 8 3HG2 THR 8 -2.131 -2.853 -20.513 37 H LEU 9 H LEU 9 -0.774 -5.811 -16.699 38 HA LEU 9 HA LEU 9 -2.565 -5.653 -14.464 39 HB2 LEU 9 1HB LEU 9 -1.391 -7.444 -13.564 40 HB3 LEU 9 2HB LEU 9 -1.280 -7.697 -15.305 41 HG LEU 9 HG LEU 9 1.016 -6.417 -14.978 42 HD11 LEU 9 1HD1 LEU 9 1.995 -6.541 -12.920 43 HD12 LEU 9 2HD1 LEU 9 1.012 -7.913 -12.409 44 HD13 LEU 9 3HD1 LEU 9 0.317 -6.292 -12.439 45 HD21 LEU 9 1HD2 LEU 9 1.559 -8.406 -15.811 46 HD22 LEU 9 2HD2 LEU 9 0.182 -9.184 -15.030 47 HD23 LEU 9 3HD2 LEU 9 1.698 -8.982 -14.150 48 H ARG 10 H ARG 10 -1.886 -5.187 -12.263 49 HA ARG 10 HA ARG 10 -1.027 -2.723 -11.728 50 HB2 ARG 10 1HB ARG 10 -0.254 -5.155 -10.105 51 HB3 ARG 10 2HB ARG 10 -0.241 -3.497 -9.520 52 HG2 ARG 10 1HG ARG 10 -2.643 -3.348 -9.801 53 HG3 ARG 10 2HG ARG 10 -2.682 -4.979 -10.474 54 HD2 ARG 10 1HD ARG 10 -1.575 -5.682 -8.255 55 HD3 ARG 10 2HD ARG 10 -2.109 -4.109 -7.662 56 HE ARG 10 HE ARG 10 -4.209 -4.969 -7.488 57 HH11 ARG 10 2HH1 ARG 10 -2.429 -6.875 -9.795 58 HH12 ARG 10 1HH1 ARG 10 -3.704 -8.025 -10.024 59 HH21 ARG 10 2HH2 ARG 10 -5.895 -6.477 -7.781 60 HH22 ARG 10 1HH2 ARG 10 -5.675 -7.798 -8.879 61 H ASN 11 H ASN 11 0.618 -1.681 -12.666 62 HA ASN 11 HA ASN 11 3.227 -3.010 -12.849 63 HB2 ASN 11 1HB ASN 11 2.130 -1.953 -14.891 64 HB3 ASN 11 2HB ASN 11 2.446 -0.394 -14.136 65 HD21 ASN 11 1HD2 ASN 11 4.023 0.480 -15.287 66 HD22 ASN 11 2HD2 ASN 11 5.529 -0.277 -15.665 67 H TYR 12 H TYR 12 4.279 -2.722 -10.964 68 HA TYR 12 HA TYR 12 4.085 -0.337 -9.406 69 HB2 TYR 12 1HB TYR 12 6.225 -2.450 -9.164 70 HB3 TYR 12 2HB TYR 12 5.623 -1.372 -7.910 71 HD1 TYR 12 2HD TYR 12 2.715 -1.648 -8.205 72 HD2 TYR 12 1HD TYR 12 5.772 -4.601 -8.404 73 HE1 TYR 12 2HE TYR 12 1.097 -3.362 -7.504 74 HE2 TYR 12 1HE TYR 12 4.161 -6.323 -7.705 75 HH TYR 12 HH TYR 12 0.750 -5.664 -7.475 76 HA PRO 13 HA PRO 13 5.515 0.613 -7.818 77 HB2 PRO 13 1HB PRO 13 5.692 3.315 -7.623 78 HB3 PRO 13 2HB PRO 13 7.061 2.239 -7.325 79 HG2 PRO 13 1HG PRO 13 6.388 3.810 -9.782 80 HG3 PRO 13 2HG PRO 13 7.960 3.585 -8.994 81 HD2 PRO 13 1HD PRO 13 7.221 2.190 -11.194 82 HD3 PRO 13 2HD PRO 13 8.281 1.509 -9.943 83 H LEU 14 H LEU 14 3.553 1.459 -6.979 84 HA LEU 14 HA LEU 14 1.762 2.755 -8.905 85 HB2 LEU 14 1HB LEU 14 1.316 0.171 -7.464 86 HB3 LEU 14 2HB LEU 14 -0.051 1.194 -7.901 87 HG LEU 14 HG LEU 14 1.944 0.127 -9.893 88 HD11 LEU 14 1HD1 LEU 14 0.073 -1.432 -10.506 89 HD12 LEU 14 2HD1 LEU 14 -0.700 -0.986 -8.985 90 HD13 LEU 14 3HD1 LEU 14 0.875 -1.781 -8.974 91 HD21 LEU 14 1HD2 LEU 14 0.184 0.714 -11.507 92 HD22 LEU 14 2HD2 LEU 14 0.780 2.121 -10.627 93 HD23 LEU 14 3HD2 LEU 14 -0.772 1.402 -10.195 94 H THR 15 H THR 15 1.246 4.617 -7.970 95 HA THR 15 HA THR 15 1.301 5.030 -5.151 96 HB THR 15 HB THR 15 -0.050 6.855 -7.133 97 HG1 THR 15 1HG THR 15 2.160 7.816 -7.201 98 HG21 THR 15 1HG2 THR 15 1.610 7.660 -4.771 99 HG22 THR 15 2HG2 THR 15 -0.073 7.176 -4.556 100 HG23 THR 15 3HG2 THR 15 0.326 8.550 -5.588 101 H CYS 16 H CYS 16 -0.246 4.702 -3.694 102 HA CYS 16 HA CYS 16 -3.014 4.366 -4.648 103 HB2 CYS 16 1HB CYS 16 -3.325 2.799 -2.727 104 HB3 CYS 16 2HB CYS 16 -2.176 2.223 -3.929 105 HG CYS 16 HG CYS 16 0.044 2.473 -2.455 106 H LYS 17 H LYS 17 -4.557 4.517 -2.617 107 HA LYS 17 HA LYS 17 -3.728 6.756 -0.910 108 HB2 LYS 17 1HB LYS 17 -5.167 7.348 -3.040 109 HB3 LYS 17 2HB LYS 17 -6.493 6.756 -2.048 110 HG2 LYS 17 1HG LYS 17 -4.642 8.747 -0.856 111 HG3 LYS 17 2HG LYS 17 -5.797 9.298 -2.072 112 HD2 LYS 17 1HD LYS 17 -7.480 7.895 -0.591 113 HD3 LYS 17 2HD LYS 17 -6.275 8.214 0.659 114 HE2 LYS 17 1HE LYS 17 -7.787 10.235 -0.987 115 HE3 LYS 17 2HE LYS 17 -7.934 9.942 0.745 116 HZ1 LYS 17 1HZ LYS 17 -5.266 10.480 0.283 117 HZ2 LYS 17 2HZ LYS 17 -6.395 11.491 1.034 118 HZ3 LYS 17 3HZ LYS 17 -6.116 11.623 -0.630 119 H VAL 18 H VAL 18 -3.942 6.096 1.117 120 HA VAL 18 HA VAL 18 -5.466 3.858 1.912 121 HB VAL 18 HB VAL 18 -4.288 6.093 3.567 122 HG11 VAL 18 1HG1 VAL 18 -5.981 3.820 4.299 123 HG12 VAL 18 2HG1 VAL 18 -4.486 3.940 5.229 124 HG13 VAL 18 3HG1 VAL 18 -5.614 5.296 5.191 125 HG21 VAL 18 1HG2 VAL 18 -3.121 3.906 2.196 126 HG22 VAL 18 2HG2 VAL 18 -2.341 5.066 3.272 127 HG23 VAL 18 3HG2 VAL 18 -3.017 3.573 3.925 128 H VAL 19 H VAL 19 -7.622 3.866 1.671 129 HA VAL 19 HA VAL 19 -9.176 6.250 2.261 130 HB VAL 19 HB VAL 19 -11.124 4.719 1.626 131 HG11 VAL 19 1HG1 VAL 19 -10.816 5.131 -0.680 132 HG12 VAL 19 2HG1 VAL 19 -9.959 6.424 0.161 133 HG13 VAL 19 3HG1 VAL 19 -9.060 5.074 -0.533 134 HG21 VAL 19 1HG2 VAL 19 -9.203 2.982 0.205 135 HG22 VAL 19 2HG2 VAL 19 -9.376 2.706 1.938 136 HG23 VAL 19 3HG2 VAL 19 -10.787 2.607 0.885 137 H TYR 20 H TYR 20 -8.348 3.222 3.729 138 HA TYR 20 HA TYR 20 -10.061 3.908 6.022 139 HB2 TYR 20 1HB TYR 20 -9.672 1.229 4.706 140 HB3 TYR 20 2HB TYR 20 -10.195 1.361 6.381 141 HD1 TYR 20 2HD TYR 20 -11.115 2.085 2.885 142 HD2 TYR 20 1HD TYR 20 -12.430 2.007 6.930 143 HE1 TYR 20 2HE TYR 20 -13.439 2.362 2.129 144 HE2 TYR 20 1HE TYR 20 -14.758 2.283 6.186 145 HH TYR 20 HH TYR 20 -15.925 3.262 4.118 146 H SER 21 H SER 21 -8.848 4.349 7.726 147 HA SER 21 HA SER 21 -6.109 3.968 7.926 148 HB2 SER 21 1HB SER 21 -6.343 4.525 10.289 149 HB3 SER 21 2HB SER 21 -7.416 5.543 9.328 150 HG SER 21 HG SER 21 -9.102 4.616 10.213 151 H TYR 22 H TYR 22 -4.863 2.585 9.334 152 HA TYR 22 HA TYR 22 -6.071 0.153 10.318 153 HB2 TYR 22 1HB TYR 22 -5.769 -0.407 7.956 154 HB3 TYR 22 2HB TYR 22 -4.074 0.056 8.047 155 HD1 TYR 22 2HD TYR 22 -6.562 -2.449 9.099 156 HD2 TYR 22 1HD TYR 22 -2.435 -1.421 8.976 157 HE1 TYR 22 2HE TYR 22 -5.975 -4.750 9.741 158 HE2 TYR 22 1HE TYR 22 -1.837 -3.719 9.616 159 HH TYR 22 HH TYR 22 -3.230 -6.138 9.302 160 H LYS 23 H LYS 23 -5.151 -0.148 12.223 161 HA LYS 23 HA LYS 23 -2.575 1.007 12.835 162 HB2 LYS 23 1HB LYS 23 -4.359 1.129 14.489 163 HB3 LYS 23 2HB LYS 23 -4.485 -0.625 14.517 164 HG2 LYS 23 1HG LYS 23 -2.515 -0.881 15.692 165 HG3 LYS 23 2HG LYS 23 -1.893 0.695 15.195 166 HD2 LYS 23 1HD LYS 23 -4.333 0.461 16.925 167 HD3 LYS 23 2HD LYS 23 -2.711 0.409 17.620 168 HE2 LYS 23 1HE LYS 23 -2.211 2.590 16.828 169 HE3 LYS 23 2HE LYS 23 -3.649 2.622 15.809 170 HZ1 LYS 23 1HZ LYS 23 -4.748 2.238 18.198 171 HZ2 LYS 23 2HZ LYS 23 -4.480 3.771 17.535 172 HZ3 LYS 23 3HZ LYS 23 -3.384 3.131 18.654 173 H ALA 24 H ALA 24 -0.785 -0.020 12.238 174 HA ALA 24 HA ALA 24 -0.574 -2.703 11.516 175 HB1 ALA 24 1HB ALA 24 1.034 -0.814 11.001 176 HB2 ALA 24 2HB ALA 24 1.714 -1.087 12.606 177 HB3 ALA 24 3HB ALA 24 1.757 -2.373 11.399 178 H SER 25 H SER 25 -1.212 -4.268 12.890 179 HA SER 25 HA SER 25 -0.734 -4.175 15.704 180 HB2 SER 25 1HB SER 25 -2.676 -5.357 14.809 181 HB3 SER 25 2HB SER 25 -1.622 -6.467 13.933 182 HG SER 25 HG SER 25 -2.072 -7.539 15.761 183 H GLN 26 H GLN 26 0.943 -5.495 12.956 184 HA GLN 26 HA GLN 26 2.791 -6.970 14.675 185 HB2 GLN 26 1HB GLN 26 2.449 -6.862 11.678 186 HB3 GLN 26 2HB GLN 26 3.759 -7.730 12.468 187 HG2 GLN 26 1HG GLN 26 2.276 -9.261 13.472 188 HG3 GLN 26 2HG GLN 26 0.871 -8.272 13.076 189 HE21 GLN 26 1HE2 GLN 26 -0.179 -8.659 11.239 190 HE22 GLN 26 2HE2 GLN 26 0.356 -9.724 9.988 191 HA PRO 27 HA PRO 27 5.924 -3.895 14.586 192 HB2 PRO 27 1HB PRO 27 8.147 -5.449 14.720 193 HB3 PRO 27 2HB PRO 27 7.064 -5.200 16.095 194 HG2 PRO 27 1HG PRO 27 7.209 -7.505 14.190 195 HG3 PRO 27 2HG PRO 27 7.013 -7.521 15.953 196 HD2 PRO 27 1HD PRO 27 4.933 -7.858 14.253 197 HD3 PRO 27 2HD PRO 27 4.757 -7.066 15.832 198 H ASP 28 H ASP 28 5.767 -6.349 12.158 199 HA ASP 28 HA ASP 28 7.786 -5.033 10.503 200 HB2 ASP 28 1HB ASP 28 7.054 -7.013 8.924 201 HB3 ASP 28 2HB ASP 28 8.123 -7.304 10.293 202 H GLU 29 H GLU 29 4.423 -5.078 10.980 203 HA GLU 29 HA GLU 29 3.563 -4.535 8.328 204 HB2 GLU 29 1HB GLU 29 2.354 -4.341 11.046 205 HB3 GLU 29 2HB GLU 29 1.575 -3.469 9.734 206 HG2 GLU 29 1HG GLU 29 2.266 -6.349 9.390 207 HG3 GLU 29 2HG GLU 29 0.838 -5.889 10.316 208 H LEU 30 H LEU 30 2.158 -2.348 8.140 209 HA LEU 30 HA LEU 30 3.926 -0.117 8.888 210 HB2 LEU 30 1HB LEU 30 3.935 -0.992 6.418 211 HB3 LEU 30 2HB LEU 30 2.430 -0.082 6.308 212 HG LEU 30 HG LEU 30 4.299 1.220 5.463 213 HD11 LEU 30 1HD1 LEU 30 2.514 2.464 6.464 214 HD12 LEU 30 2HD1 LEU 30 4.041 3.214 6.926 215 HD13 LEU 30 3HD1 LEU 30 3.171 2.202 8.079 216 HD21 LEU 30 1HD2 LEU 30 6.179 1.819 6.760 217 HD22 LEU 30 2HD2 LEU 30 5.994 0.075 6.952 218 HD23 LEU 30 3HD2 LEU 30 5.466 1.166 8.235 219 H THR 31 H THR 31 2.866 1.228 10.171 220 HA THR 31 HA THR 31 0.058 1.215 10.500 221 HB THR 31 HB THR 31 1.741 3.559 11.321 222 HG1 THR 31 1HG THR 31 1.996 0.901 12.139 223 HG21 THR 31 1HG2 THR 31 -0.326 3.967 12.166 224 HG22 THR 31 2HG2 THR 31 0.236 2.895 13.449 225 HG23 THR 31 3HG2 THR 31 -0.783 2.265 12.155 226 H ILE 32 H ILE 32 -1.388 1.991 9.120 227 HA ILE 32 HA ILE 32 -0.685 4.375 7.536 228 HB ILE 32 HB ILE 32 -2.342 3.614 5.874 229 HG12 ILE 32 1HG1 ILE 32 -2.425 1.056 7.486 230 HG13 ILE 32 2HG1 ILE 32 -3.704 2.266 7.479 231 HG21 ILE 32 1HG2 ILE 32 -0.098 3.077 5.382 232 HG22 ILE 32 2HG2 ILE 32 -0.073 1.768 6.563 233 HG23 ILE 32 3HG2 ILE 32 -1.019 1.603 5.084 234 HD11 ILE 32 1HD1 ILE 32 -3.338 1.758 4.812 235 HD12 ILE 32 2HD1 ILE 32 -3.096 0.177 5.556 236 HD13 ILE 32 3HD1 ILE 32 -4.594 1.064 5.837 237 H GLU 33 H GLU 33 -2.490 5.806 6.985 238 HA GLU 33 HA GLU 33 -4.823 5.657 8.723 239 HB2 GLU 33 1HB GLU 33 -2.641 7.659 8.981 240 HB3 GLU 33 2HB GLU 33 -4.291 8.247 9.132 241 HG2 GLU 33 1HG GLU 33 -4.718 6.763 10.963 242 HG3 GLU 33 2HG GLU 33 -3.152 5.981 10.749 243 H GLU 34 H GLU 34 -6.609 6.718 7.928 244 HA GLU 34 HA GLU 34 -7.043 6.970 5.276 245 HB2 GLU 34 1HB GLU 34 -8.777 7.167 7.054 246 HB3 GLU 34 2HB GLU 34 -8.250 8.819 7.339 247 HG2 GLU 34 1HG GLU 34 -9.058 9.564 5.290 248 HG3 GLU 34 2HG GLU 34 -9.139 7.934 4.623 249 H HIS 35 H HIS 35 -6.957 8.566 3.702 250 HA HIS 35 HA HIS 35 -6.149 10.373 2.577 251 HB2 HIS 35 1HB HIS 35 -5.819 11.660 5.293 252 HB3 HIS 35 2HB HIS 35 -5.911 12.481 3.737 253 HD1 HIS 35 1HD HIS 35 -8.365 11.526 2.456 254 HD2 HIS 35 2HD HIS 35 -8.155 12.049 6.572 255 HE1 HIS 35 1HE HIS 35 -10.746 11.783 3.224 256 HE2 HIS 35 2HE HIS 35 -10.588 12.184 5.705 257 H GLU 36 H GLU 36 -4.383 8.331 3.036 258 HA GLU 36 HA GLU 36 -1.850 9.795 3.327 259 HB2 GLU 36 1HB GLU 36 -2.312 8.407 5.348 260 HB3 GLU 36 2HB GLU 36 -2.337 6.982 4.319 261 HG2 GLU 36 1HG GLU 36 -0.051 7.134 3.854 262 HG3 GLU 36 2HG GLU 36 0.043 8.799 4.426 263 H VAL 37 H VAL 37 -1.414 9.940 1.170 264 HA VAL 37 HA VAL 37 -1.756 7.752 -0.640 265 HB VAL 37 HB VAL 37 -0.195 10.316 -0.987 266 HG11 VAL 37 1HG1 VAL 37 -1.137 8.322 -3.045 267 HG12 VAL 37 2HG1 VAL 37 -0.328 9.854 -3.380 268 HG13 VAL 37 3HG1 VAL 37 0.532 8.567 -2.534 269 HG21 VAL 37 1HG2 VAL 37 -2.807 9.833 -2.307 270 HG22 VAL 37 2HG2 VAL 37 -2.820 10.210 -0.584 271 HG23 VAL 37 3HG2 VAL 37 -2.091 11.337 -1.728 272 H LEU 38 H LEU 38 -0.490 6.028 -0.736 273 HA LEU 38 HA LEU 38 2.333 6.298 0.054 274 HB2 LEU 38 1HB LEU 38 0.786 3.728 -0.120 275 HB3 LEU 38 2HB LEU 38 2.326 4.020 0.686 276 HG LEU 38 HG LEU 38 -0.178 5.370 1.631 277 HD11 LEU 38 1HD1 LEU 38 -0.892 3.574 2.840 278 HD12 LEU 38 2HD1 LEU 38 0.706 2.832 2.896 279 HD13 LEU 38 3HD1 LEU 38 -0.257 2.740 1.421 280 HD21 LEU 38 1HD2 LEU 38 1.228 4.931 3.816 281 HD22 LEU 38 2HD2 LEU 38 1.576 6.302 2.762 282 HD23 LEU 38 3HD2 LEU 38 2.561 4.841 2.664 283 H GLU 39 H GLU 39 3.676 4.422 -1.032 284 HA GLU 39 HA GLU 39 2.995 4.334 -3.895 285 HB2 GLU 39 1HB GLU 39 4.767 6.025 -3.396 286 HB3 GLU 39 2HB GLU 39 5.773 4.724 -2.774 287 HG2 GLU 39 1HG GLU 39 5.706 3.649 -4.988 288 HG3 GLU 39 2HG GLU 39 4.770 5.013 -5.596 289 H VAL 40 H VAL 40 2.448 2.252 -4.171 290 HA VAL 40 HA VAL 40 3.634 0.094 -2.743 291 HB VAL 40 HB VAL 40 1.974 0.026 -5.267 292 HG11 VAL 40 1HG1 VAL 40 1.589 -2.314 -3.812 293 HG12 VAL 40 2HG1 VAL 40 2.488 -2.139 -5.320 294 HG13 VAL 40 3HG1 VAL 40 3.330 -2.041 -3.774 295 HG21 VAL 40 1HG2 VAL 40 0.335 -0.834 -3.310 296 HG22 VAL 40 2HG2 VAL 40 1.311 0.327 -2.409 297 HG23 VAL 40 3HG2 VAL 40 0.424 0.845 -3.843 298 H ILE 41 H ILE 41 5.733 -0.348 -3.031 299 HA ILE 41 HA ILE 41 6.891 -0.219 -5.711 300 HB ILE 41 HB ILE 41 9.055 -0.605 -4.558 301 HG12 ILE 41 1HG1 ILE 41 7.388 -0.396 -2.041 302 HG13 ILE 41 2HG1 ILE 41 8.165 -1.863 -2.628 303 HG21 ILE 41 1HG2 ILE 41 9.170 1.609 -4.512 304 HG22 ILE 41 2HG2 ILE 41 7.410 1.695 -4.503 305 HG23 ILE 41 3HG2 ILE 41 8.297 1.638 -2.981 306 HD11 ILE 41 1HD1 ILE 41 9.769 -1.245 -1.186 307 HD12 ILE 41 2HD1 ILE 41 10.286 -0.221 -2.526 308 HD13 ILE 41 3HD1 ILE 41 9.304 0.456 -1.227 309 H GLU 42 H GLU 42 6.157 -2.516 -3.155 310 HA GLU 42 HA GLU 42 6.792 -4.694 -5.030 311 HB2 GLU 42 1HB GLU 42 7.574 -4.385 -2.158 312 HB3 GLU 42 2HB GLU 42 7.279 -5.996 -2.799 313 HG2 GLU 42 1HG GLU 42 9.582 -5.663 -3.008 314 HG3 GLU 42 2HG GLU 42 8.934 -5.415 -4.628 315 H ASP 43 H ASP 43 5.619 -6.707 -4.585 316 HA ASP 43 HA ASP 43 2.868 -6.121 -3.857 317 HB2 ASP 43 1HB ASP 43 3.255 -7.358 -5.915 318 HB3 ASP 43 2HB ASP 43 4.142 -8.600 -5.034 319 H GLY 44 H GLY 44 4.991 -6.290 -1.800 320 HA2 GLY 44 1HA GLY 44 5.296 -7.163 0.301 321 HA3 GLY 44 2HA GLY 44 3.581 -7.537 0.238 322 H ASP 45 H ASP 45 4.622 -9.302 1.668 323 HA ASP 45 HA ASP 45 5.895 -11.447 0.204 324 HB2 ASP 45 1HB ASP 45 6.631 -11.125 2.461 325 HB3 ASP 45 2HB ASP 45 4.979 -11.180 3.070 326 H MET 46 H MET 46 2.706 -10.614 1.345 327 HA MET 46 HA MET 46 1.688 -13.234 0.494 328 HB2 MET 46 1HB MET 46 0.517 -11.076 2.244 329 HB3 MET 46 2HB MET 46 -0.439 -12.423 1.638 330 HG2 MET 46 1HG MET 46 1.156 -13.974 2.736 331 HG3 MET 46 2HG MET 46 1.966 -12.575 3.437 332 HE1 MET 46 1HE MET 46 -1.445 -14.082 2.792 333 HE2 MET 46 2HE MET 46 -2.352 -13.859 4.288 334 HE3 MET 46 3HE MET 46 -2.115 -12.499 3.190 335 H GLU 47 H GLU 47 0.239 -13.442 -1.149 336 HA GLU 47 HA GLU 47 0.189 -11.581 -3.208 337 HB2 GLU 47 1HB GLU 47 -1.714 -12.904 -4.114 338 HB3 GLU 47 2HB GLU 47 -0.342 -13.891 -3.629 339 HG2 GLU 47 1HG GLU 47 -2.576 -13.436 -1.709 340 HG3 GLU 47 2HG GLU 47 -2.766 -14.606 -3.014 341 H ASP 48 H ASP 48 -1.796 -11.824 -0.374 342 HA ASP 48 HA ASP 48 -3.801 -9.986 -1.376 343 HB2 ASP 48 1HB ASP 48 -4.674 -11.642 0.070 344 HB3 ASP 48 2HB ASP 48 -3.393 -11.398 1.254 345 H TRP 49 H TRP 49 -0.932 -9.914 0.598 346 HA TRP 49 HA TRP 49 -1.440 -7.128 1.349 347 HB2 TRP 49 1HB TRP 49 0.808 -8.952 2.229 348 HB3 TRP 49 2HB TRP 49 0.415 -7.372 2.900 349 HD1 TRP 49 HD TRP 49 -1.467 -10.749 2.437 350 HE1 TRP 49 1HE TRP 49 -2.848 -11.174 4.567 351 HE3 TRP 49 3HE TRP 49 -0.305 -6.492 5.019 352 HZ2 TRP 49 2HZ TRP 49 -3.375 -9.875 7.018 353 HZ3 TRP 49 3HZ TRP 49 -1.290 -6.160 7.249 354 HH2 TRP 49 HH TRP 49 -2.793 -7.817 8.226 355 H VAL 50 H VAL 50 0.459 -5.627 1.226 356 HA VAL 50 HA VAL 50 2.326 -6.201 -0.941 357 HB VAL 50 HB VAL 50 1.824 -4.100 -2.111 358 HG11 VAL 50 1HG1 VAL 50 0.705 -6.358 -2.620 359 HG12 VAL 50 2HG1 VAL 50 -0.746 -5.633 -1.925 360 HG13 VAL 50 3HG1 VAL 50 0.014 -4.903 -3.340 361 HG21 VAL 50 1HG2 VAL 50 -0.252 -2.883 -1.611 362 HG22 VAL 50 2HG2 VAL 50 -0.511 -3.919 -0.208 363 HG23 VAL 50 3HG2 VAL 50 0.881 -2.838 -0.260 364 H LYS 51 H LYS 51 3.900 -4.340 -1.214 365 HA LYS 51 HA LYS 51 4.548 -3.261 1.446 366 HB2 LYS 51 1HB LYS 51 6.110 -4.876 0.042 367 HB3 LYS 51 2HB LYS 51 6.566 -3.374 -0.751 368 HG2 LYS 51 1HG LYS 51 7.314 -2.434 1.320 369 HG3 LYS 51 2HG LYS 51 6.690 -3.815 2.224 370 HD2 LYS 51 1HD LYS 51 8.285 -5.142 0.574 371 HD3 LYS 51 2HD LYS 51 9.121 -3.588 0.527 372 HE2 LYS 51 1HE LYS 51 9.072 -3.652 3.064 373 HE3 LYS 51 2HE LYS 51 8.569 -5.335 2.913 374 HZ1 LYS 51 1HZ LYS 51 11.148 -4.362 2.886 375 HZ2 LYS 51 2HZ LYS 51 10.833 -4.816 1.288 376 HZ3 LYS 51 3HZ LYS 51 10.653 -5.942 2.538 377 H ALA 52 H ALA 52 4.175 -1.168 1.700 378 HA ALA 52 HA ALA 52 4.621 0.633 -0.585 379 HB1 ALA 52 1HB ALA 52 2.254 0.474 1.234 380 HB2 ALA 52 2HB ALA 52 2.707 2.012 0.498 381 HB3 ALA 52 3HB ALA 52 2.310 0.629 -0.522 382 H ARG 53 H ARG 53 5.349 2.730 -0.079 383 HA ARG 53 HA ARG 53 6.493 2.971 2.624 384 HB2 ARG 53 1HB ARG 53 8.206 2.812 0.912 385 HB3 ARG 53 2HB ARG 53 7.457 4.114 -0.002 386 HG2 ARG 53 1HG ARG 53 7.921 5.646 1.887 387 HG3 ARG 53 2HG ARG 53 8.780 4.331 2.692 388 HD2 ARG 53 1HD ARG 53 10.420 5.653 1.602 389 HD3 ARG 53 2HD ARG 53 10.240 4.179 0.651 390 HE ARG 53 HE ARG 53 8.575 6.302 -0.292 391 HH11 ARG 53 2HH1 ARG 53 11.805 5.005 -0.364 392 HH12 ARG 53 1HH1 ARG 53 12.198 5.720 -1.893 393 HH21 ARG 53 2HH2 ARG 53 9.080 7.248 -2.305 394 HH22 ARG 53 1HH2 ARG 53 10.647 6.996 -2.996 395 H ASN 54 H ASN 54 6.041 4.723 3.838 396 HA ASN 54 HA ASN 54 4.016 6.554 2.840 397 HB2 ASN 54 1HB ASN 54 4.263 7.396 5.321 398 HB3 ASN 54 2HB ASN 54 3.422 5.887 4.973 399 HD21 ASN 54 1HD2 ASN 54 3.965 5.562 7.283 400 HD22 ASN 54 2HD2 ASN 54 5.485 4.832 7.657 401 H LYS 55 H LYS 55 4.342 8.886 3.950 402 HA LYS 55 HA LYS 55 6.339 10.164 2.458 403 HB2 LYS 55 1HB LYS 55 5.780 12.170 3.818 404 HB3 LYS 55 2HB LYS 55 4.367 11.367 3.146 405 HG2 LYS 55 1HG LYS 55 4.401 10.146 5.494 406 HG3 LYS 55 2HG LYS 55 5.248 11.621 5.965 407 HD2 LYS 55 1HD LYS 55 2.638 11.662 4.469 408 HD3 LYS 55 2HD LYS 55 2.720 11.620 6.231 409 HE2 LYS 55 1HE LYS 55 2.509 13.896 5.652 410 HE3 LYS 55 2HE LYS 55 4.205 13.666 6.073 411 HZ1 LYS 55 1HZ LYS 55 4.793 14.363 4.071 412 HZ2 LYS 55 2HZ LYS 55 3.174 14.696 3.714 413 HZ3 LYS 55 3HZ LYS 55 3.834 13.190 3.317 414 H VAL 56 H VAL 56 6.285 9.034 5.786 415 HA VAL 56 HA VAL 56 8.668 10.304 6.631 416 HB VAL 56 HB VAL 56 8.684 8.591 8.446 417 HG11 VAL 56 1HG1 VAL 56 5.939 9.764 8.082 418 HG12 VAL 56 2HG1 VAL 56 6.816 9.478 9.587 419 HG13 VAL 56 3HG1 VAL 56 7.350 10.744 8.480 420 HG21 VAL 56 1HG2 VAL 56 7.251 7.070 6.646 421 HG22 VAL 56 2HG2 VAL 56 7.492 6.705 8.354 422 HG23 VAL 56 3HG2 VAL 56 6.038 7.556 7.831 423 H GLY 57 H GLY 57 8.062 7.538 4.674 424 HA2 GLY 57 1HA GLY 57 9.818 6.657 3.294 425 HA3 GLY 57 2HA GLY 57 10.958 7.021 4.581 426 H GLN 58 H GLN 58 8.697 5.859 6.404 427 HA GLN 58 HA GLN 58 9.883 3.367 6.837 428 HB2 GLN 58 1HB GLN 58 7.388 4.707 7.742 429 HB3 GLN 58 2HB GLN 58 7.496 2.966 7.969 430 HG2 GLN 58 1HG GLN 58 9.519 3.226 9.265 431 HG3 GLN 58 2HG GLN 58 9.508 4.965 8.975 432 HE21 GLN 58 1HE2 GLN 58 9.424 5.443 11.160 433 HE22 GLN 58 2HE2 GLN 58 8.000 5.199 12.107 434 H VAL 59 H VAL 59 9.673 1.445 5.891 435 HA VAL 59 HA VAL 59 7.426 1.059 4.020 436 HB VAL 59 HB VAL 59 10.122 -0.278 3.817 437 HG11 VAL 59 1HG1 VAL 59 7.608 -0.321 2.253 438 HG12 VAL 59 2HG1 VAL 59 9.121 -0.342 1.344 439 HG13 VAL 59 3HG1 VAL 59 8.790 -1.598 2.538 440 HG21 VAL 59 1HG2 VAL 59 10.987 1.543 2.885 441 HG22 VAL 59 2HG2 VAL 59 9.655 1.624 1.732 442 HG23 VAL 59 3HG2 VAL 59 9.517 2.425 3.297 443 H GLY 60 H GLY 60 6.047 -0.503 4.539 444 HA2 GLY 60 1HA GLY 60 7.035 -2.868 5.967 445 HA3 GLY 60 2HA GLY 60 5.716 -1.955 6.683 446 H TYR 61 H TYR 61 4.360 -3.789 6.548 447 HA TYR 61 HA TYR 61 3.452 -4.400 3.811 448 HB2 TYR 61 1HB TYR 61 3.388 -6.203 6.240 449 HB3 TYR 61 2HB TYR 61 2.768 -6.614 4.645 450 HD1 TYR 61 2HD TYR 61 4.614 -6.196 2.704 451 HD2 TYR 61 1HD TYR 61 5.448 -7.070 6.784 452 HE1 TYR 61 2HE TYR 61 6.826 -7.057 2.062 453 HE2 TYR 61 1HE TYR 61 7.663 -7.932 6.153 454 HH TYR 61 HH TYR 61 8.638 -8.980 3.833 455 H VAL 62 H VAL 62 1.306 -4.274 3.366 456 HA VAL 62 HA VAL 62 -0.614 -3.932 5.529 457 HB VAL 62 HB VAL 62 -1.570 -1.886 4.543 458 HG11 VAL 62 1HG1 VAL 62 1.298 -1.249 5.067 459 HG12 VAL 62 2HG1 VAL 62 -0.159 -0.441 5.649 460 HG13 VAL 62 3HG1 VAL 62 0.327 -1.991 6.338 461 HG21 VAL 62 1HG2 VAL 62 -0.027 -2.530 2.344 462 HG22 VAL 62 2HG2 VAL 62 -0.919 -1.028 2.587 463 HG23 VAL 62 3HG2 VAL 62 0.786 -1.122 3.026 464 HA PRO 63 HA PRO 63 -3.183 -6.225 2.792 465 HB2 PRO 63 1HB PRO 63 -5.620 -5.530 3.765 466 HB3 PRO 63 2HB PRO 63 -4.522 -6.625 4.615 467 HG2 PRO 63 1HG PRO 63 -5.008 -3.705 5.062 468 HG3 PRO 63 2HG PRO 63 -4.830 -5.005 6.255 469 HD2 PRO 63 1HD PRO 63 -2.814 -3.304 5.643 470 HD3 PRO 63 2HD PRO 63 -2.530 -4.992 6.112 471 H GLU 64 H GLU 64 -3.335 -5.625 0.718 472 HA GLU 64 HA GLU 64 -3.725 -3.121 -0.326 473 HB2 GLU 64 1HB GLU 64 -3.173 -5.386 -1.487 474 HB3 GLU 64 2HB GLU 64 -4.913 -5.506 -1.703 475 HG2 GLU 64 1HG GLU 64 -4.744 -3.171 -2.748 476 HG3 GLU 64 2HG GLU 64 -3.015 -3.496 -2.848 477 H LYS 65 H LYS 65 -6.140 -5.393 0.807 478 HA LYS 65 HA LYS 65 -8.473 -4.513 -0.252 479 HB2 LYS 65 1HB LYS 65 -7.729 -5.539 2.439 480 HB3 LYS 65 2HB LYS 65 -9.330 -4.833 2.262 481 HG2 LYS 65 1HG LYS 65 -8.464 -6.839 0.253 482 HG3 LYS 65 2HG LYS 65 -8.885 -7.403 1.871 483 HD2 LYS 65 1HD LYS 65 -10.698 -5.563 0.346 484 HD3 LYS 65 2HD LYS 65 -10.738 -7.308 0.085 485 HE2 LYS 65 1HE LYS 65 -12.311 -7.146 1.726 486 HE3 LYS 65 2HE LYS 65 -10.873 -7.326 2.730 487 HZ1 LYS 65 1HZ LYS 65 -11.777 -4.638 1.950 488 HZ2 LYS 65 2HZ LYS 65 -10.890 -5.115 3.308 489 HZ3 LYS 65 3HZ LYS 65 -12.548 -5.440 3.225 490 H TYR 66 H TYR 66 -6.856 -3.047 2.562 491 HA TYR 66 HA TYR 66 -8.730 -0.904 2.762 492 HB2 TYR 66 1HB TYR 66 -6.030 -1.423 3.994 493 HB3 TYR 66 2HB TYR 66 -6.906 0.077 4.278 494 HD1 TYR 66 1HD TYR 66 -8.110 -3.451 4.068 495 HD2 TYR 66 2HD TYR 66 -7.644 0.027 6.475 496 HE1 TYR 66 1HE TYR 66 -9.376 -4.538 5.875 497 HE2 TYR 66 2HE TYR 66 -8.907 -1.052 8.288 498 HH TYR 66 HH TYR 66 -9.903 -4.418 8.084 499 H LEU 67 H LEU 67 -5.755 -1.423 1.038 500 HA LEU 67 HA LEU 67 -5.166 1.302 0.488 501 HB2 LEU 67 1HB LEU 67 -4.352 -1.266 -0.853 502 HB3 LEU 67 2HB LEU 67 -3.764 0.316 -1.364 503 HG LEU 67 HG LEU 67 -3.286 -0.991 1.314 504 HD11 LEU 67 1HD1 LEU 67 -2.059 -1.822 -0.781 505 HD12 LEU 67 2HD1 LEU 67 -1.094 -1.377 0.626 506 HD13 LEU 67 3HD1 LEU 67 -1.226 -0.268 -0.739 507 HD21 LEU 67 1HD2 LEU 67 -1.600 1.022 1.364 508 HD22 LEU 67 2HD2 LEU 67 -3.272 1.228 1.887 509 HD23 LEU 67 3HD2 LEU 67 -2.780 1.755 0.277 510 H GLN 68 H GLN 68 -5.525 2.508 -1.384 511 HA GLN 68 HA GLN 68 -7.714 1.514 -3.087 512 HB2 GLN 68 1HB GLN 68 -8.237 3.457 -1.555 513 HB3 GLN 68 2HB GLN 68 -7.097 4.408 -2.498 514 HG2 GLN 68 1HG GLN 68 -8.439 4.085 -4.492 515 HG3 GLN 68 2HG GLN 68 -9.563 3.071 -3.588 516 HE21 GLN 68 1HE2 GLN 68 -11.348 4.068 -3.031 517 HE22 GLN 68 2HE2 GLN 68 -11.513 5.748 -2.664 518 H PHE 69 H PHE 69 -6.314 0.616 -4.629 519 HA PHE 69 HA PHE 69 -4.179 2.027 -5.830 520 HB2 PHE 69 1HB PHE 69 -5.753 -0.420 -6.564 521 HB3 PHE 69 2HB PHE 69 -4.603 0.264 -7.709 522 HD1 PHE 69 1HD PHE 69 -4.573 -0.320 -4.021 523 HD2 PHE 69 2HD PHE 69 -2.661 -0.944 -7.772 524 HE1 PHE 69 1HE PHE 69 -2.743 -1.511 -2.886 525 HE2 PHE 69 2HE PHE 69 -0.829 -2.137 -6.644 526 HZ PHE 69 HZ PHE 69 -0.869 -2.423 -4.198 527 HA PRO 70 HA PRO 70 -6.112 4.656 -8.762 528 HB2 PRO 70 1HB PRO 70 -4.411 4.488 -10.871 529 HB3 PRO 70 2HB PRO 70 -4.006 5.341 -9.377 530 HG2 PRO 70 1HG PRO 70 -3.226 2.588 -10.257 531 HG3 PRO 70 2HG PRO 70 -2.237 3.835 -9.476 532 HD2 PRO 70 1HD PRO 70 -3.296 1.750 -8.111 533 HD3 PRO 70 2HD PRO 70 -3.056 3.348 -7.377 534 H THR 71 H THR 71 -8.031 3.469 -9.157 535 HA THR 71 HA THR 71 -8.117 1.354 -11.087 536 HB THR 71 HB THR 71 -10.452 2.966 -10.051 537 HG1 THR 71 1HG THR 71 -8.880 1.738 -8.520 538 HG21 THR 71 1HG2 THR 71 -11.769 1.028 -10.596 539 HG22 THR 71 2HG2 THR 71 -10.325 0.117 -11.039 540 HG23 THR 71 3HG2 THR 71 -10.840 1.487 -12.022 541 H SER 72 H SER 72 -9.174 1.401 -13.128 542 HA SER 72 HA SER 72 -9.847 3.954 -14.312 543 HB2 SER 72 1HB SER 72 -7.346 3.752 -14.544 544 HB3 SER 72 2HB SER 72 -7.616 2.323 -15.542 545 HG SER 72 HG SER 72 -9.009 4.634 -16.224 546 H SER 73 H SER 73 -11.648 3.585 -15.403 547 HA SER 73 HA SER 73 -12.895 1.239 -15.899 548 HB2 SER 73 1HB SER 73 -13.806 3.553 -16.328 549 HB3 SER 73 2HB SER 73 -12.956 3.531 -17.873 550 HG SER 73 HG SER 73 -14.166 1.526 -18.274 551 H GLY 74 H GLY 74 -12.325 -0.548 -16.934 552 HA2 GLY 74 1HA GLY 74 -10.487 -0.313 -19.230 553 HA3 GLY 74 2HA GLY 74 -10.621 -1.725 -18.192 554 HA PRO 75 HA PRO 75 -13.017 -2.679 -21.999 555 HB2 PRO 75 1HB PRO 75 -12.256 -5.284 -22.082 556 HB3 PRO 75 2HB PRO 75 -11.289 -3.978 -22.777 557 HG2 PRO 75 1HG PRO 75 -10.977 -5.371 -20.146 558 HG3 PRO 75 2HG PRO 75 -9.732 -4.902 -21.319 559 HD2 PRO 75 1HD PRO 75 -10.244 -3.462 -19.084 560 HD3 PRO 75 2HD PRO 75 -9.699 -2.713 -20.599 561 H SER 76 H SER 76 -13.026 -3.700 -18.755 562 HA SER 76 HA SER 76 -15.319 -5.473 -19.097 563 HB2 SER 76 1HB SER 76 -15.063 -5.907 -16.676 564 HB3 SER 76 2HB SER 76 -13.563 -6.198 -17.556 565 HG SER 76 HG SER 76 -14.006 -3.660 -16.463 566 H SER 77 H SER 77 -16.989 -4.106 -19.655 567 HA SER 77 HA SER 77 -17.595 -1.839 -17.924 568 HB2 SER 77 1HB SER 77 -19.077 -2.769 -20.393 569 HB3 SER 77 2HB SER 77 -19.231 -1.207 -19.588 570 HG SER 77 HG SER 77 -16.736 -1.318 -20.080 571 H GLY 78 H GLY 78 -19.264 -1.753 -16.515 572 HA2 GLY 78 1HA GLY 78 -21.117 -4.048 -16.451 573 HA3 GLY 78 2HA GLY 78 -20.310 -3.505 -14.987 Start of MODEL 10 1 H1 GLY 1 H GLY 1 6.181 -15.368 -10.739 2 HA2 GLY 1 1HA GLY 1 5.266 -15.062 -7.989 3 HA3 GLY 1 2HA GLY 1 4.408 -15.877 -9.289 4 H SER 2 H SER 2 7.036 -16.182 -6.964 5 HA SER 2 HA SER 2 7.905 -18.743 -7.456 6 HB2 SER 2 1HB SER 2 8.632 -17.010 -5.642 7 HB3 SER 2 2HB SER 2 7.463 -17.850 -4.624 8 HG SER 2 HG SER 2 8.678 -19.816 -5.417 9 H SER 3 H SER 3 6.551 -20.367 -7.942 10 HA SER 3 HA SER 3 4.818 -21.851 -7.813 11 HB2 SER 3 1HB SER 3 6.392 -22.387 -5.820 12 HB3 SER 3 2HB SER 3 5.112 -21.697 -4.822 13 HG SER 3 HG SER 3 5.083 -24.015 -6.410 14 H GLY 4 H GLY 4 3.768 -19.426 -8.223 15 HA2 GLY 4 1HA GLY 4 1.187 -19.404 -7.843 16 HA3 GLY 4 2HA GLY 4 1.680 -19.007 -6.204 17 H SER 5 H SER 5 1.008 -17.804 -9.302 18 HA SER 5 HA SER 5 2.481 -15.352 -9.080 19 HB2 SER 5 1HB SER 5 1.261 -14.678 -11.095 20 HB3 SER 5 2HB SER 5 1.890 -16.316 -11.275 21 HG SER 5 HG SER 5 -0.615 -15.505 -11.504 22 H SER 6 H SER 6 1.528 -13.234 -8.916 23 HA SER 6 HA SER 6 -0.830 -13.227 -7.156 24 HB2 SER 6 1HB SER 6 1.415 -11.214 -7.427 25 HB3 SER 6 2HB SER 6 0.012 -11.014 -6.376 26 HG SER 6 HG SER 6 0.802 -13.252 -5.613 27 H GLY 7 H GLY 7 0.737 -11.181 -9.628 28 HA2 GLY 7 1HA GLY 7 -1.668 -10.877 -11.121 29 HA3 GLY 7 2HA GLY 7 -1.369 -9.457 -10.129 30 H THR 8 H THR 8 -1.412 -9.685 -13.033 31 HA THR 8 HA THR 8 1.358 -8.842 -13.591 32 HB THR 8 HB THR 8 0.474 -11.019 -14.712 33 HG1 THR 8 1HG THR 8 2.296 -10.465 -15.654 34 HG21 THR 8 1HG2 THR 8 -1.623 -9.603 -15.461 35 HG22 THR 8 2HG2 THR 8 -0.960 -10.865 -16.500 36 HG23 THR 8 3HG2 THR 8 -0.570 -9.173 -16.807 37 H LEU 9 H LEU 9 -1.737 -7.791 -13.242 38 HA LEU 9 HA LEU 9 -1.637 -5.809 -15.383 39 HB2 LEU 9 1HB LEU 9 -3.750 -6.520 -13.361 40 HB3 LEU 9 2HB LEU 9 -3.898 -5.172 -14.486 41 HG LEU 9 HG LEU 9 -3.482 -7.062 -16.278 42 HD11 LEU 9 1HD1 LEU 9 -5.017 -8.720 -14.353 43 HD12 LEU 9 2HD1 LEU 9 -3.262 -8.669 -14.189 44 HD13 LEU 9 3HD1 LEU 9 -3.991 -9.205 -15.703 45 HD21 LEU 9 1HD2 LEU 9 -6.206 -7.351 -15.337 46 HD22 LEU 9 2HD2 LEU 9 -5.594 -6.605 -16.814 47 HD23 LEU 9 3HD2 LEU 9 -5.678 -5.668 -15.321 48 H ARG 10 H ARG 10 0.383 -5.478 -13.543 49 HA ARG 10 HA ARG 10 -0.335 -2.884 -12.415 50 HB2 ARG 10 1HB ARG 10 1.026 -5.061 -10.818 51 HB3 ARG 10 2HB ARG 10 0.800 -3.401 -10.286 52 HG2 ARG 10 1HG ARG 10 -1.659 -3.748 -10.468 53 HG3 ARG 10 2HG ARG 10 -1.338 -5.450 -10.808 54 HD2 ARG 10 1HD ARG 10 -0.251 -5.706 -8.659 55 HD3 ARG 10 2HD ARG 10 -0.451 -3.986 -8.326 56 HE ARG 10 HE ARG 10 -2.668 -4.362 -7.813 57 HH11 ARG 10 2HH1 ARG 10 -1.257 -7.223 -9.205 58 HH12 ARG 10 1HH1 ARG 10 -2.594 -8.244 -8.789 59 HH21 ARG 10 2HH2 ARG 10 -4.435 -5.695 -7.260 60 HH22 ARG 10 1HH2 ARG 10 -4.402 -7.373 -7.684 61 H ASN 11 H ASN 11 1.386 -1.439 -12.242 62 HA ASN 11 HA ASN 11 3.991 -2.368 -13.230 63 HB2 ASN 11 1HB ASN 11 2.588 -1.287 -15.054 64 HB3 ASN 11 2HB ASN 11 2.730 0.217 -14.148 65 HD21 ASN 11 1HD2 ASN 11 3.661 -0.232 -16.783 66 HD22 ASN 11 2HD2 ASN 11 5.379 -0.049 -16.771 67 H TYR 12 H TYR 12 4.516 -2.259 -10.943 68 HA TYR 12 HA TYR 12 4.358 0.072 -9.399 69 HB2 TYR 12 1HB TYR 12 6.398 -2.157 -9.231 70 HB3 TYR 12 2HB TYR 12 6.065 -0.974 -7.971 71 HD1 TYR 12 2HD TYR 12 3.232 -0.844 -7.736 72 HD2 TYR 12 1HD TYR 12 5.651 -4.239 -8.585 73 HE1 TYR 12 2HE TYR 12 1.486 -2.312 -6.815 74 HE2 TYR 12 1HE TYR 12 3.912 -5.716 -7.668 75 HH TYR 12 HH TYR 12 1.248 -4.529 -5.880 76 HA PRO 13 HA PRO 13 5.716 0.967 -7.704 77 HB2 PRO 13 1HB PRO 13 5.829 3.658 -7.370 78 HB3 PRO 13 2HB PRO 13 7.210 2.595 -7.076 79 HG2 PRO 13 1HG PRO 13 6.590 4.275 -9.475 80 HG3 PRO 13 2HG PRO 13 8.138 4.041 -8.643 81 HD2 PRO 13 1HD PRO 13 7.506 2.745 -10.934 82 HD3 PRO 13 2HD PRO 13 8.535 2.022 -9.682 83 H LEU 14 H LEU 14 3.748 1.900 -6.849 84 HA LEU 14 HA LEU 14 1.991 3.212 -8.779 85 HB2 LEU 14 1HB LEU 14 1.418 0.593 -7.416 86 HB3 LEU 14 2HB LEU 14 0.152 1.612 -8.100 87 HG LEU 14 HG LEU 14 2.440 0.589 -9.760 88 HD11 LEU 14 1HD1 LEU 14 0.285 -0.966 -10.421 89 HD12 LEU 14 2HD1 LEU 14 0.179 -0.892 -8.662 90 HD13 LEU 14 3HD1 LEU 14 1.655 -1.475 -9.432 91 HD21 LEU 14 1HD2 LEU 14 1.290 1.376 -11.547 92 HD22 LEU 14 2HD2 LEU 14 0.655 2.491 -10.337 93 HD23 LEU 14 3HD2 LEU 14 -0.284 1.074 -10.810 94 H THR 15 H THR 15 1.201 4.943 -7.802 95 HA THR 15 HA THR 15 1.190 5.176 -4.931 96 HB THR 15 HB THR 15 -0.006 7.148 -6.874 97 HG1 THR 15 1HG THR 15 2.132 6.729 -7.529 98 HG21 THR 15 1HG2 THR 15 -0.404 7.421 -4.413 99 HG22 THR 15 2HG2 THR 15 0.445 8.769 -5.170 100 HG23 THR 15 3HG2 THR 15 1.339 7.590 -4.211 101 H CYS 16 H CYS 16 -0.455 4.785 -3.600 102 HA CYS 16 HA CYS 16 -3.141 4.460 -4.769 103 HB2 CYS 16 1HB CYS 16 -3.381 3.026 -2.532 104 HB3 CYS 16 2HB CYS 16 -2.770 2.330 -4.028 105 HG CYS 16 HG CYS 16 -0.765 3.517 -1.521 106 H LYS 17 H LYS 17 -4.819 4.524 -2.808 107 HA LYS 17 HA LYS 17 -4.182 6.840 -1.113 108 HB2 LYS 17 1HB LYS 17 -5.437 7.767 -2.927 109 HB3 LYS 17 2HB LYS 17 -6.619 6.467 -2.855 110 HG2 LYS 17 1HG LYS 17 -7.798 8.074 -1.782 111 HG3 LYS 17 2HG LYS 17 -6.937 7.404 -0.394 112 HD2 LYS 17 1HD LYS 17 -5.624 9.587 -1.926 113 HD3 LYS 17 2HD LYS 17 -6.992 10.010 -0.894 114 HE2 LYS 17 1HE LYS 17 -5.317 10.224 0.631 115 HE3 LYS 17 2HE LYS 17 -5.659 8.507 0.839 116 HZ1 LYS 17 1HZ LYS 17 -3.811 8.792 -1.243 117 HZ2 LYS 17 2HZ LYS 17 -3.584 8.060 0.264 118 HZ3 LYS 17 3HZ LYS 17 -3.255 9.708 0.067 119 H VAL 18 H VAL 18 -4.209 5.987 0.872 120 HA VAL 18 HA VAL 18 -5.635 3.739 1.706 121 HB VAL 18 HB VAL 18 -4.608 6.058 3.345 122 HG11 VAL 18 1HG1 VAL 18 -4.656 4.228 5.174 123 HG12 VAL 18 2HG1 VAL 18 -6.150 5.077 4.773 124 HG13 VAL 18 3HG1 VAL 18 -5.858 3.457 4.139 125 HG21 VAL 18 1HG2 VAL 18 -2.827 4.338 3.912 126 HG22 VAL 18 2HG2 VAL 18 -3.449 3.397 2.556 127 HG23 VAL 18 3HG2 VAL 18 -2.784 5.008 2.281 128 H VAL 19 H VAL 19 -7.772 3.516 1.673 129 HA VAL 19 HA VAL 19 -9.500 5.818 2.145 130 HB VAL 19 HB VAL 19 -11.308 3.985 1.687 131 HG11 VAL 19 1HG1 VAL 19 -11.228 5.606 0.079 132 HG12 VAL 19 2HG1 VAL 19 -9.500 5.392 -0.208 133 HG13 VAL 19 3HG1 VAL 19 -10.654 4.229 -0.860 134 HG21 VAL 19 1HG2 VAL 19 -10.613 2.098 0.443 135 HG22 VAL 19 2HG2 VAL 19 -8.963 2.704 0.301 136 HG23 VAL 19 3HG2 VAL 19 -9.569 2.154 1.863 137 H TYR 20 H TYR 20 -8.543 2.809 3.646 138 HA TYR 20 HA TYR 20 -10.204 3.507 5.978 139 HB2 TYR 20 1HB TYR 20 -9.574 0.764 4.877 140 HB3 TYR 20 2HB TYR 20 -10.310 1.043 6.451 141 HD1 TYR 20 1HD TYR 20 -12.594 1.963 6.607 142 HD2 TYR 20 2HD TYR 20 -10.846 0.973 2.856 143 HE1 TYR 20 1HE TYR 20 -14.820 2.015 5.562 144 HE2 TYR 20 2HE TYR 20 -13.067 1.024 1.801 145 HH TYR 20 HH TYR 20 -15.957 1.928 3.644 146 H SER 21 H SER 21 -9.078 3.918 7.753 147 HA SER 21 HA SER 21 -6.272 3.734 7.867 148 HB2 SER 21 1HB SER 21 -6.456 4.538 10.115 149 HB3 SER 21 2HB SER 21 -7.737 5.319 9.188 150 HG SER 21 HG SER 21 -8.003 3.911 11.379 151 H TYR 22 H TYR 22 -5.004 2.525 9.466 152 HA TYR 22 HA TYR 22 -6.077 0.156 10.652 153 HB2 TYR 22 1HB TYR 22 -6.017 -0.766 8.460 154 HB3 TYR 22 2HB TYR 22 -4.434 -0.071 8.131 155 HD1 TYR 22 2HD TYR 22 -6.126 -2.516 10.383 156 HD2 TYR 22 1HD TYR 22 -2.531 -1.373 8.414 157 HE1 TYR 22 2HE TYR 22 -5.061 -4.604 11.127 158 HE2 TYR 22 1HE TYR 22 -1.457 -3.459 9.151 159 HH TYR 22 HH TYR 22 -1.868 -5.538 10.011 160 H LYS 23 H LYS 23 -5.049 0.324 12.532 161 HA LYS 23 HA LYS 23 -2.397 1.397 12.758 162 HB2 LYS 23 1HB LYS 23 -3.930 1.846 14.542 163 HB3 LYS 23 2HB LYS 23 -4.275 0.135 14.756 164 HG2 LYS 23 1HG LYS 23 -2.855 0.529 16.508 165 HG3 LYS 23 2HG LYS 23 -1.722 -0.022 15.272 166 HD2 LYS 23 1HD LYS 23 -0.657 1.865 16.057 167 HD3 LYS 23 2HD LYS 23 -1.567 2.523 14.694 168 HE2 LYS 23 1HE LYS 23 -1.836 3.991 16.571 169 HE3 LYS 23 2HE LYS 23 -3.367 3.164 16.285 170 HZ1 LYS 23 1HZ LYS 23 -1.967 3.285 18.652 171 HZ2 LYS 23 2HZ LYS 23 -1.748 1.701 18.100 172 HZ3 LYS 23 3HZ LYS 23 -3.311 2.313 18.316 173 H ALA 24 H ALA 24 -0.640 0.272 12.269 174 HA ALA 24 HA ALA 24 -0.494 -2.457 11.800 175 HB1 ALA 24 1HB ALA 24 1.898 -2.210 11.800 176 HB2 ALA 24 2HB ALA 24 1.175 -0.781 11.059 177 HB3 ALA 24 3HB ALA 24 1.782 -0.705 12.713 178 H SER 25 H SER 25 -0.119 -4.233 13.014 179 HA SER 25 HA SER 25 0.102 -3.832 15.923 180 HB2 SER 25 1HB SER 25 -1.219 -5.998 14.293 181 HB3 SER 25 2HB SER 25 -0.844 -6.217 16.002 182 HG SER 25 HG SER 25 -2.071 -4.212 16.321 183 H GLN 26 H GLN 26 1.403 -5.505 13.146 184 HA GLN 26 HA GLN 26 3.269 -7.031 14.773 185 HB2 GLN 26 1HB GLN 26 2.554 -6.968 11.868 186 HB3 GLN 26 2HB GLN 26 4.092 -7.663 12.360 187 HG2 GLN 26 1HG GLN 26 1.332 -8.563 13.127 188 HG3 GLN 26 2HG GLN 26 2.542 -9.439 12.191 189 HE21 GLN 26 1HE2 GLN 26 1.367 -8.666 15.305 190 HE22 GLN 26 2HE2 GLN 26 2.502 -9.598 16.216 191 HA PRO 27 HA PRO 27 6.627 -4.214 14.516 192 HB2 PRO 27 1HB PRO 27 8.727 -5.934 14.500 193 HB3 PRO 27 2HB PRO 27 7.751 -5.624 15.940 194 HG2 PRO 27 1HG PRO 27 7.605 -7.906 14.008 195 HG3 PRO 27 2HG PRO 27 7.514 -7.931 15.779 196 HD2 PRO 27 1HD PRO 27 5.316 -8.085 14.205 197 HD3 PRO 27 2HD PRO 27 5.296 -7.305 15.799 198 H ASP 28 H ASP 28 5.893 -6.374 12.014 199 HA ASP 28 HA ASP 28 7.895 -5.126 10.248 200 HB2 ASP 28 1HB ASP 28 6.484 -7.633 9.454 201 HB3 ASP 28 2HB ASP 28 8.109 -7.085 9.052 202 H GLU 29 H GLU 29 4.891 -4.632 11.114 203 HA GLU 29 HA GLU 29 3.684 -4.501 8.460 204 HB2 GLU 29 1HB GLU 29 2.672 -4.301 11.257 205 HB3 GLU 29 2HB GLU 29 1.762 -3.493 9.989 206 HG2 GLU 29 1HG GLU 29 2.540 -6.381 9.792 207 HG3 GLU 29 2HG GLU 29 1.068 -5.856 10.606 208 H LEU 30 H LEU 30 2.345 -2.434 8.065 209 HA LEU 30 HA LEU 30 3.984 -0.090 8.774 210 HB2 LEU 30 1HB LEU 30 3.935 -1.072 6.325 211 HB3 LEU 30 2HB LEU 30 2.428 -0.164 6.237 212 HG LEU 30 HG LEU 30 4.277 1.110 5.301 213 HD11 LEU 30 1HD1 LEU 30 3.902 2.644 7.761 214 HD12 LEU 30 2HD1 LEU 30 2.406 2.020 7.067 215 HD13 LEU 30 3HD1 LEU 30 3.471 3.038 6.096 216 HD21 LEU 30 1HD2 LEU 30 5.895 -0.048 7.042 217 HD22 LEU 30 2HD2 LEU 30 5.557 1.416 7.965 218 HD23 LEU 30 3HD2 LEU 30 6.258 1.534 6.350 219 H THR 31 H THR 31 2.885 1.199 10.084 220 HA THR 31 HA THR 31 0.070 1.106 10.402 221 HB THR 31 HB THR 31 1.961 3.284 11.310 222 HG1 THR 31 1HG THR 31 2.394 2.031 13.019 223 HG21 THR 31 1HG2 THR 31 -0.519 2.519 12.770 224 HG22 THR 31 2HG2 THR 31 -0.678 3.503 11.315 225 HG23 THR 31 3HG2 THR 31 0.295 4.080 12.667 226 H ILE 32 H ILE 32 -1.373 1.869 9.012 227 HA ILE 32 HA ILE 32 -0.694 4.274 7.450 228 HB ILE 32 HB ILE 32 -2.236 3.544 5.750 229 HG12 ILE 32 1HG1 ILE 32 -2.748 1.080 7.426 230 HG13 ILE 32 2HG1 ILE 32 -3.842 2.457 7.351 231 HG21 ILE 32 1HG2 ILE 32 0.025 1.928 6.600 232 HG22 ILE 32 2HG2 ILE 32 -1.120 1.029 5.606 233 HG23 ILE 32 3HG2 ILE 32 -0.403 2.520 4.996 234 HD11 ILE 32 1HD1 ILE 32 -4.821 1.199 5.766 235 HD12 ILE 32 2HD1 ILE 32 -3.595 1.940 4.737 236 HD13 ILE 32 3HD1 ILE 32 -3.339 0.322 5.388 237 H GLU 33 H GLU 33 -2.715 5.518 6.752 238 HA GLU 33 HA GLU 33 -4.935 5.443 8.597 239 HB2 GLU 33 1HB GLU 33 -2.776 7.477 8.788 240 HB3 GLU 33 2HB GLU 33 -4.431 8.045 8.960 241 HG2 GLU 33 1HG GLU 33 -4.595 6.047 10.656 242 HG3 GLU 33 2HG GLU 33 -2.846 6.253 10.722 243 H GLU 34 H GLU 34 -6.731 6.599 7.876 244 HA GLU 34 HA GLU 34 -7.199 6.778 5.193 245 HB2 GLU 34 1HB GLU 34 -8.762 7.105 7.306 246 HB3 GLU 34 2HB GLU 34 -8.515 8.807 6.942 247 HG2 GLU 34 1HG GLU 34 -9.559 8.639 4.865 248 HG3 GLU 34 2HG GLU 34 -9.414 6.883 4.833 249 H HIS 35 H HIS 35 -7.092 8.336 3.608 250 HA HIS 35 HA HIS 35 -6.330 10.160 2.479 251 HB2 HIS 35 1HB HIS 35 -5.953 11.623 5.076 252 HB3 HIS 35 2HB HIS 35 -6.421 12.264 3.504 253 HD1 HIS 35 1HD HIS 35 -7.852 11.896 6.620 254 HD2 HIS 35 2HD HIS 35 -9.109 10.772 2.823 255 HE1 HIS 35 1HE HIS 35 -10.348 11.635 6.788 256 HE2 HIS 35 2HE HIS 35 -11.075 10.872 4.500 257 H GLU 36 H GLU 36 -4.494 8.212 2.969 258 HA GLU 36 HA GLU 36 -2.034 9.765 3.427 259 HB2 GLU 36 1HB GLU 36 -2.408 8.250 5.314 260 HB3 GLU 36 2HB GLU 36 -2.539 6.889 4.210 261 HG2 GLU 36 1HG GLU 36 -0.379 6.744 5.057 262 HG3 GLU 36 2HG GLU 36 -0.175 7.479 3.468 263 H VAL 37 H VAL 37 -1.087 10.012 1.516 264 HA VAL 37 HA VAL 37 -1.474 8.141 -0.637 265 HB VAL 37 HB VAL 37 0.456 10.458 -0.566 266 HG11 VAL 37 1HG1 VAL 37 -0.975 9.430 -2.980 267 HG12 VAL 37 2HG1 VAL 37 0.554 10.305 -2.870 268 HG13 VAL 37 3HG1 VAL 37 0.471 8.608 -2.394 269 HG21 VAL 37 1HG2 VAL 37 -1.918 11.069 0.041 270 HG22 VAL 37 2HG2 VAL 37 -1.252 11.889 -1.372 271 HG23 VAL 37 3HG2 VAL 37 -2.376 10.546 -1.581 272 H LEU 38 H LEU 38 -0.373 6.309 -0.791 273 HA LEU 38 HA LEU 38 2.410 6.251 0.175 274 HB2 LEU 38 1HB LEU 38 0.573 3.882 -0.080 275 HB3 LEU 38 2HB LEU 38 2.147 3.945 0.711 276 HG LEU 38 HG LEU 38 -0.093 5.628 1.751 277 HD11 LEU 38 1HD1 LEU 38 -1.075 3.418 1.513 278 HD12 LEU 38 2HD1 LEU 38 -0.779 3.787 3.211 279 HD13 LEU 38 3HD1 LEU 38 0.304 2.698 2.345 280 HD21 LEU 38 1HD2 LEU 38 1.980 6.062 2.775 281 HD22 LEU 38 2HD2 LEU 38 2.386 4.348 2.870 282 HD23 LEU 38 3HD2 LEU 38 1.118 5.013 3.900 283 H GLU 39 H GLU 39 3.604 4.289 -0.913 284 HA GLU 39 HA GLU 39 2.962 4.229 -3.781 285 HB2 GLU 39 1HB GLU 39 4.804 5.887 -3.178 286 HB3 GLU 39 2HB GLU 39 5.782 4.491 -2.748 287 HG2 GLU 39 1HG GLU 39 5.834 3.707 -4.957 288 HG3 GLU 39 2HG GLU 39 4.515 4.767 -5.451 289 H VAL 40 H VAL 40 2.551 2.178 -4.257 290 HA VAL 40 HA VAL 40 3.641 0.003 -2.722 291 HB VAL 40 HB VAL 40 1.941 0.000 -5.219 292 HG11 VAL 40 1HG1 VAL 40 2.739 -2.283 -3.417 293 HG12 VAL 40 2HG1 VAL 40 1.541 -2.375 -4.709 294 HG13 VAL 40 3HG1 VAL 40 3.232 -2.048 -5.094 295 HG21 VAL 40 1HG2 VAL 40 1.375 0.151 -2.337 296 HG22 VAL 40 2HG2 VAL 40 0.409 0.681 -3.714 297 HG23 VAL 40 3HG2 VAL 40 0.404 -1.016 -3.235 298 H ILE 41 H ILE 41 5.799 -0.254 -3.008 299 HA ILE 41 HA ILE 41 6.942 -0.209 -5.680 300 HB ILE 41 HB ILE 41 9.100 -0.527 -4.564 301 HG12 ILE 41 1HG1 ILE 41 7.399 -0.717 -2.073 302 HG13 ILE 41 2HG1 ILE 41 8.489 -1.940 -2.718 303 HG21 ILE 41 1HG2 ILE 41 8.314 1.567 -2.816 304 HG22 ILE 41 2HG2 ILE 41 9.123 1.682 -4.378 305 HG23 ILE 41 3HG2 ILE 41 7.361 1.697 -4.294 306 HD11 ILE 41 1HD1 ILE 41 10.259 -0.002 -2.371 307 HD12 ILE 41 2HD1 ILE 41 9.081 0.502 -1.158 308 HD13 ILE 41 3HD1 ILE 41 9.801 -1.106 -1.074 309 H GLU 42 H GLU 42 5.835 -2.497 -3.350 310 HA GLU 42 HA GLU 42 6.542 -4.670 -5.168 311 HB2 GLU 42 1HB GLU 42 7.534 -4.349 -2.382 312 HB3 GLU 42 2HB GLU 42 7.057 -5.963 -2.889 313 HG2 GLU 42 1HG GLU 42 8.910 -4.354 -4.586 314 HG3 GLU 42 2HG GLU 42 9.516 -5.194 -3.160 315 H ASP 43 H ASP 43 5.326 -6.637 -4.768 316 HA ASP 43 HA ASP 43 2.636 -6.027 -3.869 317 HB2 ASP 43 1HB ASP 43 2.307 -8.493 -4.682 318 HB3 ASP 43 2HB ASP 43 2.545 -7.208 -5.862 319 H GLY 44 H GLY 44 4.922 -6.362 -1.964 320 HA2 GLY 44 1HA GLY 44 5.296 -7.292 0.101 321 HA3 GLY 44 2HA GLY 44 3.569 -7.615 0.124 322 H ASP 45 H ASP 45 4.619 -9.458 1.434 323 HA ASP 45 HA ASP 45 5.578 -11.620 -0.283 324 HB2 ASP 45 1HB ASP 45 6.410 -12.655 1.629 325 HB3 ASP 45 2HB ASP 45 6.598 -10.947 2.016 326 H MET 46 H MET 46 2.801 -10.644 1.571 327 HA MET 46 HA MET 46 1.537 -13.253 1.322 328 HB2 MET 46 1HB MET 46 1.382 -11.514 3.312 329 HB3 MET 46 2HB MET 46 0.079 -10.854 2.334 330 HG2 MET 46 1HG MET 46 -1.117 -12.297 3.602 331 HG3 MET 46 2HG MET 46 -0.680 -13.382 2.284 332 HE1 MET 46 1HE MET 46 0.204 -11.902 5.542 333 HE2 MET 46 2HE MET 46 -0.446 -13.308 6.385 334 HE3 MET 46 3HE MET 46 1.295 -13.027 6.351 335 H GLU 47 H GLU 47 -0.622 -13.454 0.387 336 HA GLU 47 HA GLU 47 -0.739 -12.214 -2.195 337 HB2 GLU 47 1HB GLU 47 -2.573 -13.670 -2.642 338 HB3 GLU 47 2HB GLU 47 -1.402 -14.591 -1.708 339 HG2 GLU 47 1HG GLU 47 -2.761 -14.068 0.331 340 HG3 GLU 47 2HG GLU 47 -3.986 -13.397 -0.744 341 H ASP 48 H ASP 48 -2.417 -11.846 0.858 342 HA ASP 48 HA ASP 48 -4.203 -9.843 -0.323 343 HB2 ASP 48 1HB ASP 48 -5.176 -11.647 1.105 344 HB3 ASP 48 2HB ASP 48 -4.261 -11.007 2.467 345 H TRP 49 H TRP 49 -1.319 -9.425 0.181 346 HA TRP 49 HA TRP 49 -1.581 -6.899 1.583 347 HB2 TRP 49 1HB TRP 49 0.505 -8.898 2.475 348 HB3 TRP 49 2HB TRP 49 0.210 -7.298 3.151 349 HD1 TRP 49 HD TRP 49 -1.871 -10.553 2.666 350 HE1 TRP 49 1HE TRP 49 -3.293 -10.895 4.784 351 HE3 TRP 49 3HE TRP 49 -0.479 -6.374 5.262 352 HZ2 TRP 49 2HZ TRP 49 -3.763 -9.569 7.231 353 HZ3 TRP 49 3HZ TRP 49 -1.462 -5.985 7.484 354 HH2 TRP 49 HH TRP 49 -3.070 -7.550 8.446 355 H VAL 50 H VAL 50 0.144 -5.439 1.160 356 HA VAL 50 HA VAL 50 2.066 -6.289 -0.890 357 HB VAL 50 HB VAL 50 1.695 -4.142 -2.103 358 HG11 VAL 50 1HG1 VAL 50 0.478 -5.388 -3.478 359 HG12 VAL 50 2HG1 VAL 50 0.149 -6.510 -2.156 360 HG13 VAL 50 3HG1 VAL 50 -0.943 -5.158 -2.459 361 HG21 VAL 50 1HG2 VAL 50 -0.586 -3.933 -0.157 362 HG22 VAL 50 2HG2 VAL 50 0.678 -2.751 -0.495 363 HG23 VAL 50 3HG2 VAL 50 -0.574 -3.071 -1.695 364 H LYS 51 H LYS 51 3.676 -4.416 -1.304 365 HA LYS 51 HA LYS 51 4.478 -3.358 1.322 366 HB2 LYS 51 1HB LYS 51 5.933 -5.003 -0.161 367 HB3 LYS 51 2HB LYS 51 6.383 -3.509 -0.971 368 HG2 LYS 51 1HG LYS 51 7.136 -2.584 1.170 369 HG3 LYS 51 2HG LYS 51 6.712 -4.103 1.963 370 HD2 LYS 51 1HD LYS 51 8.273 -5.104 0.075 371 HD3 LYS 51 2HD LYS 51 8.960 -3.479 0.117 372 HE2 LYS 51 1HE LYS 51 8.519 -4.926 2.685 373 HE3 LYS 51 2HE LYS 51 9.884 -5.392 1.671 374 HZ1 LYS 51 1HZ LYS 51 9.380 -2.833 3.036 375 HZ2 LYS 51 2HZ LYS 51 10.357 -2.869 1.656 376 HZ3 LYS 51 3HZ LYS 51 10.785 -3.776 3.018 377 H ALA 52 H ALA 52 4.338 -1.240 1.620 378 HA ALA 52 HA ALA 52 4.702 0.557 -0.671 379 HB1 ALA 52 1HB ALA 52 2.523 1.014 -0.699 380 HB2 ALA 52 2HB ALA 52 2.245 0.143 0.810 381 HB3 ALA 52 3HB ALA 52 2.769 1.826 0.847 382 H ARG 53 H ARG 53 5.297 2.730 -0.089 383 HA ARG 53 HA ARG 53 6.528 2.890 2.584 384 HB2 ARG 53 1HB ARG 53 8.297 2.834 1.020 385 HB3 ARG 53 2HB ARG 53 7.459 3.912 -0.089 386 HG2 ARG 53 1HG ARG 53 7.706 5.725 1.607 387 HG3 ARG 53 2HG ARG 53 8.714 4.625 2.550 388 HD2 ARG 53 1HD ARG 53 10.445 4.708 1.053 389 HD3 ARG 53 2HD ARG 53 9.386 5.049 -0.315 390 HE ARG 53 HE ARG 53 9.306 7.250 1.393 391 HH11 ARG 53 2HH1 ARG 53 11.591 5.588 -0.640 392 HH12 ARG 53 1HH1 ARG 53 12.527 7.008 -0.972 393 HH21 ARG 53 2HH2 ARG 53 10.529 9.126 0.964 394 HH22 ARG 53 1HH2 ARG 53 11.922 9.020 -0.059 395 H ASN 54 H ASN 54 6.052 4.590 3.852 396 HA ASN 54 HA ASN 54 4.030 6.454 2.901 397 HB2 ASN 54 1HB ASN 54 4.231 7.194 5.415 398 HB3 ASN 54 2HB ASN 54 3.406 5.695 4.996 399 HD21 ASN 54 1HD2 ASN 54 3.848 5.076 7.191 400 HD22 ASN 54 2HD2 ASN 54 5.393 4.422 7.603 401 H LYS 55 H LYS 55 4.287 8.759 3.936 402 HA LYS 55 HA LYS 55 6.250 10.124 2.570 403 HB2 LYS 55 1HB LYS 55 5.721 12.046 3.961 404 HB3 LYS 55 2HB LYS 55 4.247 11.178 3.551 405 HG2 LYS 55 1HG LYS 55 4.543 10.014 5.820 406 HG3 LYS 55 2HG LYS 55 5.675 11.320 6.178 407 HD2 LYS 55 1HD LYS 55 3.897 12.957 5.669 408 HD3 LYS 55 2HD LYS 55 2.773 11.622 5.402 409 HE2 LYS 55 1HE LYS 55 2.291 12.078 7.582 410 HE3 LYS 55 2HE LYS 55 3.604 10.925 7.818 411 HZ1 LYS 55 1HZ LYS 55 4.743 13.453 7.540 412 HZ2 LYS 55 2HZ LYS 55 4.694 12.482 8.924 413 HZ3 LYS 55 3HZ LYS 55 3.465 13.608 8.638 414 H VAL 56 H VAL 56 6.295 9.106 5.976 415 HA VAL 56 HA VAL 56 8.759 10.192 6.689 416 HB VAL 56 HB VAL 56 8.846 8.381 8.423 417 HG11 VAL 56 1HG1 VAL 56 7.026 9.243 9.700 418 HG12 VAL 56 2HG1 VAL 56 7.636 10.559 8.694 419 HG13 VAL 56 3HG1 VAL 56 6.153 9.718 8.243 420 HG21 VAL 56 1HG2 VAL 56 6.768 7.283 6.675 421 HG22 VAL 56 2HG2 VAL 56 7.830 6.471 7.825 422 HG23 VAL 56 3HG2 VAL 56 6.360 7.263 8.390 423 H GLY 57 H GLY 57 8.015 7.463 4.707 424 HA2 GLY 57 1HA GLY 57 9.656 6.587 3.200 425 HA3 GLY 57 2HA GLY 57 10.897 6.972 4.384 426 H GLN 58 H GLN 58 8.490 5.712 6.165 427 HA GLN 58 HA GLN 58 9.849 3.265 6.620 428 HB2 GLN 58 1HB GLN 58 7.297 4.483 7.595 429 HB3 GLN 58 2HB GLN 58 7.607 2.780 7.905 430 HG2 GLN 58 1HG GLN 58 9.563 3.276 9.155 431 HG3 GLN 58 2HG GLN 58 9.525 4.967 8.657 432 HE21 GLN 58 1HE2 GLN 58 8.670 6.347 10.033 433 HE22 GLN 58 2HE2 GLN 58 7.590 5.960 11.325 434 H VAL 59 H VAL 59 9.644 1.351 5.660 435 HA VAL 59 HA VAL 59 7.340 0.937 3.868 436 HB VAL 59 HB VAL 59 10.046 -0.376 3.616 437 HG11 VAL 59 1HG1 VAL 59 7.962 -0.098 1.479 438 HG12 VAL 59 2HG1 VAL 59 9.304 -1.240 1.583 439 HG13 VAL 59 3HG1 VAL 59 7.905 -1.422 2.642 440 HG21 VAL 59 1HG2 VAL 59 9.655 1.379 1.475 441 HG22 VAL 59 2HG2 VAL 59 9.232 2.297 2.920 442 HG23 VAL 59 3HG2 VAL 59 10.819 1.539 2.790 443 H GLY 60 H GLY 60 5.980 -0.631 4.417 444 HA2 GLY 60 1HA GLY 60 6.998 -2.997 5.813 445 HA3 GLY 60 2HA GLY 60 5.725 -2.071 6.594 446 H TYR 61 H TYR 61 4.359 -3.909 6.514 447 HA TYR 61 HA TYR 61 3.365 -4.562 3.820 448 HB2 TYR 61 1HB TYR 61 3.285 -6.207 6.356 449 HB3 TYR 61 2HB TYR 61 2.524 -6.673 4.839 450 HD1 TYR 61 2HD TYR 61 4.448 -6.144 2.803 451 HD2 TYR 61 1HD TYR 61 5.116 -7.547 6.764 452 HE1 TYR 61 2HE TYR 61 6.546 -7.197 2.070 453 HE2 TYR 61 1HE TYR 61 7.217 -8.603 6.042 454 HH TYR 61 HH TYR 61 8.177 -8.652 2.650 455 H VAL 62 H VAL 62 1.215 -4.395 3.373 456 HA VAL 62 HA VAL 62 -0.666 -3.786 5.514 457 HB VAL 62 HB VAL 62 -1.535 -1.788 4.392 458 HG11 VAL 62 1HG1 VAL 62 -0.015 -1.363 6.159 459 HG12 VAL 62 2HG1 VAL 62 1.378 -1.748 5.147 460 HG13 VAL 62 3HG1 VAL 62 0.441 -0.285 4.840 461 HG21 VAL 62 1HG2 VAL 62 0.892 -1.633 2.668 462 HG22 VAL 62 2HG2 VAL 62 -0.475 -2.611 2.136 463 HG23 VAL 62 3HG2 VAL 62 -0.693 -0.890 2.451 464 HA PRO 63 HA PRO 63 -3.412 -6.146 3.024 465 HB2 PRO 63 1HB PRO 63 -5.797 -5.142 3.845 466 HB3 PRO 63 2HB PRO 63 -4.804 -6.203 4.851 467 HG2 PRO 63 1HG PRO 63 -5.055 -3.221 4.917 468 HG3 PRO 63 2HG PRO 63 -5.000 -4.369 6.268 469 HD2 PRO 63 1HD PRO 63 -2.844 -2.925 5.494 470 HD3 PRO 63 2HD PRO 63 -2.705 -4.558 6.178 471 H GLU 64 H GLU 64 -3.734 -5.912 0.909 472 HA GLU 64 HA GLU 64 -3.825 -3.499 -0.467 473 HB2 GLU 64 1HB GLU 64 -3.441 -5.928 -1.318 474 HB3 GLU 64 2HB GLU 64 -5.186 -5.954 -1.530 475 HG2 GLU 64 1HG GLU 64 -4.994 -3.947 -2.967 476 HG3 GLU 64 2HG GLU 64 -3.241 -4.062 -2.829 477 H LYS 65 H LYS 65 -6.323 -5.199 1.194 478 HA LYS 65 HA LYS 65 -8.587 -4.200 -0.133 479 HB2 LYS 65 1HB LYS 65 -8.340 -4.873 2.804 480 HB3 LYS 65 2HB LYS 65 -9.826 -4.806 1.866 481 HG2 LYS 65 1HG LYS 65 -9.334 -6.766 0.715 482 HG3 LYS 65 2HG LYS 65 -7.618 -6.686 1.122 483 HD2 LYS 65 1HD LYS 65 -8.593 -8.410 2.453 484 HD3 LYS 65 2HD LYS 65 -8.262 -7.042 3.518 485 HE2 LYS 65 1HE LYS 65 -10.942 -7.246 2.233 486 HE3 LYS 65 2HE LYS 65 -10.572 -8.309 3.590 487 HZ1 LYS 65 1HZ LYS 65 -10.834 -5.387 3.537 488 HZ2 LYS 65 2HZ LYS 65 -9.792 -6.086 4.672 489 HZ3 LYS 65 3HZ LYS 65 -11.433 -6.500 4.662 490 H TYR 66 H TYR 66 -6.630 -2.879 2.487 491 HA TYR 66 HA TYR 66 -8.354 -0.566 2.769 492 HB2 TYR 66 1HB TYR 66 -5.671 -1.109 4.055 493 HB3 TYR 66 2HB TYR 66 -6.835 0.121 4.535 494 HD1 TYR 66 1HD TYR 66 -9.077 -2.190 3.843 495 HD2 TYR 66 2HD TYR 66 -5.800 -1.738 6.519 496 HE1 TYR 66 1HE TYR 66 -10.127 -3.788 5.389 497 HE2 TYR 66 2HE TYR 66 -6.841 -3.336 8.072 498 HH TYR 66 HH TYR 66 -8.459 -5.131 8.057 499 H LEU 67 H LEU 67 -6.635 -1.274 0.308 500 HA LEU 67 HA LEU 67 -5.336 1.360 0.067 501 HB2 LEU 67 1HB LEU 67 -4.557 -1.303 -1.092 502 HB3 LEU 67 2HB LEU 67 -3.916 0.223 -1.699 503 HG LEU 67 HG LEU 67 -3.559 -0.846 1.101 504 HD11 LEU 67 1HD1 LEU 67 -1.086 -0.612 -0.048 505 HD12 LEU 67 2HD1 LEU 67 -2.071 -1.211 -1.382 506 HD13 LEU 67 3HD1 LEU 67 -1.995 -2.112 0.132 507 HD21 LEU 67 1HD2 LEU 67 -3.569 1.535 1.174 508 HD22 LEU 67 2HD2 LEU 67 -2.555 1.644 -0.265 509 HD23 LEU 67 3HD2 LEU 67 -1.886 1.013 1.241 510 H GLN 68 H GLN 68 -5.690 2.548 -1.779 511 HA GLN 68 HA GLN 68 -7.755 1.495 -3.598 512 HB2 GLN 68 1HB GLN 68 -8.471 3.394 -2.137 513 HB3 GLN 68 2HB GLN 68 -7.245 4.392 -2.908 514 HG2 GLN 68 1HG GLN 68 -8.466 3.650 -5.103 515 HG3 GLN 68 2HG GLN 68 -9.808 3.354 -3.999 516 HE21 GLN 68 1HE2 GLN 68 -10.895 5.051 -3.124 517 HE22 GLN 68 2HE2 GLN 68 -10.602 6.700 -3.549 518 H PHE 69 H PHE 69 -6.528 0.733 -5.255 519 HA PHE 69 HA PHE 69 -4.233 2.072 -6.269 520 HB2 PHE 69 1HB PHE 69 -5.928 -0.207 -7.256 521 HB3 PHE 69 2HB PHE 69 -4.635 0.456 -8.250 522 HD1 PHE 69 1HD PHE 69 -5.226 -0.820 -4.798 523 HD2 PHE 69 2HD PHE 69 -2.534 -0.459 -8.075 524 HE1 PHE 69 1HE PHE 69 -3.599 -2.234 -3.612 525 HE2 PHE 69 2HE PHE 69 -0.903 -1.873 -6.895 526 HZ PHE 69 HZ PHE 69 -1.434 -2.763 -4.661 527 HA PRO 70 HA PRO 70 -5.952 5.010 -9.038 528 HB2 PRO 70 1HB PRO 70 -4.125 4.979 -11.046 529 HB3 PRO 70 2HB PRO 70 -3.800 5.694 -9.462 530 HG2 PRO 70 1HG PRO 70 -3.017 3.007 -10.525 531 HG3 PRO 70 2HG PRO 70 -2.056 4.160 -9.580 532 HD2 PRO 70 1HD PRO 70 -3.238 1.993 -8.467 533 HD3 PRO 70 2HD PRO 70 -3.014 3.517 -7.585 534 H THR 71 H THR 71 -5.482 1.745 -10.015 535 HA THR 71 HA THR 71 -6.325 1.752 -12.657 536 HB THR 71 HB THR 71 -6.958 -0.356 -10.582 537 HG1 THR 71 1HG THR 71 -4.932 -0.967 -10.787 538 HG21 THR 71 1HG2 THR 71 -6.463 -1.054 -13.412 539 HG22 THR 71 2HG2 THR 71 -7.986 -0.235 -13.067 540 HG23 THR 71 3HG2 THR 71 -7.595 -1.750 -12.253 541 H SER 72 H SER 72 -8.248 1.892 -13.682 542 HA SER 72 HA SER 72 -10.403 3.199 -12.534 543 HB2 SER 72 1HB SER 72 -10.041 1.602 -15.036 544 HB3 SER 72 2HB SER 72 -11.671 2.088 -14.570 545 HG SER 72 HG SER 72 -9.461 3.844 -14.875 546 H SER 73 H SER 73 -11.450 2.456 -10.794 547 HA SER 73 HA SER 73 -11.971 -0.349 -10.405 548 HB2 SER 73 1HB SER 73 -11.514 1.489 -8.607 549 HB3 SER 73 2HB SER 73 -13.238 1.823 -8.763 550 HG SER 73 HG SER 73 -13.596 0.135 -7.585 551 H GLY 74 H GLY 74 -13.829 -1.445 -10.743 552 HA2 GLY 74 1HA GLY 74 -15.969 -1.900 -11.441 553 HA3 GLY 74 2HA GLY 74 -16.388 -0.260 -10.969 554 HA PRO 75 HA PRO 75 -16.530 -0.807 -15.650 555 HB2 PRO 75 1HB PRO 75 -19.191 -0.355 -15.941 556 HB3 PRO 75 2HB PRO 75 -18.514 -1.966 -15.672 557 HG2 PRO 75 1HG PRO 75 -19.781 -0.092 -13.711 558 HG3 PRO 75 2HG PRO 75 -19.994 -1.844 -13.882 559 HD2 PRO 75 1HD PRO 75 -18.388 -0.750 -11.997 560 HD3 PRO 75 2HD PRO 75 -18.042 -2.319 -12.752 561 H SER 76 H SER 76 -15.386 1.137 -15.814 562 HA SER 76 HA SER 76 -17.044 3.574 -15.737 563 HB2 SER 76 1HB SER 76 -14.133 3.178 -15.051 564 HB3 SER 76 2HB SER 76 -14.804 4.769 -15.405 565 HG SER 76 HG SER 76 -14.820 3.563 -13.105 566 H SER 77 H SER 77 -14.148 2.174 -17.271 567 HA SER 77 HA SER 77 -14.704 3.787 -19.661 568 HB2 SER 77 1HB SER 77 -12.403 3.376 -20.311 569 HB3 SER 77 2HB SER 77 -12.432 3.949 -18.643 570 HG SER 77 HG SER 77 -11.111 1.985 -19.247 571 H GLY 78 H GLY 78 -14.038 2.642 -21.767 572 HA2 GLY 78 1HA GLY 78 -14.174 -0.165 -21.984 573 HA3 GLY 78 2HA GLY 78 -15.784 0.500 -22.214 Start of MODEL 11 1 H1 GLY 1 H GLY 1 0.980 10.370 -21.729 2 HA2 GLY 1 1HA GLY 1 -1.244 9.819 -21.878 3 HA3 GLY 1 2HA GLY 1 -1.304 11.024 -23.156 4 H SER 2 H SER 2 0.096 7.760 -22.818 5 HA SER 2 HA SER 2 -1.274 7.041 -25.328 6 HB2 SER 2 1HB SER 2 1.439 6.160 -24.319 7 HB3 SER 2 2HB SER 2 0.624 5.443 -25.709 8 HG SER 2 HG SER 2 1.562 8.096 -25.403 9 H SER 3 H SER 3 -2.884 5.684 -24.939 10 HA SER 3 HA SER 3 -2.558 3.689 -22.795 11 HB2 SER 3 1HB SER 3 -4.369 5.324 -22.380 12 HB3 SER 3 2HB SER 3 -5.134 4.843 -23.894 13 HG SER 3 HG SER 3 -4.971 3.488 -21.465 14 H GLY 4 H GLY 4 -3.577 1.599 -23.146 15 HA2 GLY 4 1HA GLY 4 -4.571 0.784 -25.664 16 HA3 GLY 4 2HA GLY 4 -2.855 0.416 -25.567 17 H SER 5 H SER 5 -2.147 -1.245 -24.273 18 HA SER 5 HA SER 5 -4.064 -3.266 -23.659 19 HB2 SER 5 1HB SER 5 -1.657 -3.628 -24.421 20 HB3 SER 5 2HB SER 5 -1.178 -3.237 -22.770 21 HG SER 5 HG SER 5 -2.121 -5.049 -22.047 22 H SER 6 H SER 6 -5.419 -2.931 -22.005 23 HA SER 6 HA SER 6 -4.269 -2.069 -19.432 24 HB2 SER 6 1HB SER 6 -6.498 -1.200 -18.860 25 HB3 SER 6 2HB SER 6 -5.891 -0.458 -20.340 26 HG SER 6 HG SER 6 -8.184 -1.543 -20.093 27 H GLY 7 H GLY 7 -4.439 -3.398 -17.730 28 HA2 GLY 7 1HA GLY 7 -6.381 -5.606 -17.856 29 HA3 GLY 7 2HA GLY 7 -4.686 -5.961 -17.554 30 H THR 8 H THR 8 -5.536 -6.949 -15.578 31 HA THR 8 HA THR 8 -6.341 -5.026 -13.517 32 HB THR 8 HB THR 8 -7.555 -7.287 -13.960 33 HG1 THR 8 1HG THR 8 -8.381 -6.659 -12.125 34 HG21 THR 8 1HG2 THR 8 -6.632 -9.229 -13.225 35 HG22 THR 8 2HG2 THR 8 -5.717 -8.436 -11.943 36 HG23 THR 8 3HG2 THR 8 -5.133 -8.382 -13.606 37 H LEU 9 H LEU 9 -3.560 -6.310 -14.706 38 HA LEU 9 HA LEU 9 -2.156 -7.072 -12.375 39 HB2 LEU 9 1HB LEU 9 -1.344 -6.192 -15.117 40 HB3 LEU 9 2HB LEU 9 -0.130 -6.420 -13.860 41 HG LEU 9 HG LEU 9 -0.597 -8.339 -15.520 42 HD11 LEU 9 1HD1 LEU 9 -0.710 -9.049 -12.602 43 HD12 LEU 9 2HD1 LEU 9 0.736 -8.394 -13.369 44 HD13 LEU 9 3HD1 LEU 9 0.068 -9.932 -13.916 45 HD21 LEU 9 1HD2 LEU 9 -3.067 -8.221 -15.234 46 HD22 LEU 9 2HD2 LEU 9 -2.861 -8.814 -13.586 47 HD23 LEU 9 3HD2 LEU 9 -2.390 -9.825 -14.953 48 H ARG 10 H ARG 10 0.020 -5.762 -11.926 49 HA ARG 10 HA ARG 10 -0.700 -2.934 -11.540 50 HB2 ARG 10 1HB ARG 10 0.574 -4.805 -9.539 51 HB3 ARG 10 2HB ARG 10 0.496 -3.060 -9.338 52 HG2 ARG 10 1HG ARG 10 -1.749 -3.066 -8.917 53 HG3 ARG 10 2HG ARG 10 -2.030 -4.539 -9.847 54 HD2 ARG 10 1HD ARG 10 -1.009 -5.873 -8.105 55 HD3 ARG 10 2HD ARG 10 -0.599 -4.419 -7.196 56 HE ARG 10 HE ARG 10 -2.779 -4.284 -6.468 57 HH11 ARG 10 2HH1 ARG 10 -2.520 -6.661 -8.999 58 HH12 ARG 10 1HH1 ARG 10 -4.114 -7.291 -8.749 59 HH21 ARG 10 2HH2 ARG 10 -4.880 -5.106 -6.129 60 HH22 ARG 10 1HH2 ARG 10 -5.456 -6.405 -7.117 61 H ASN 11 H ASN 11 0.820 -1.497 -12.105 62 HA ASN 11 HA ASN 11 3.455 -2.549 -12.883 63 HB2 ASN 11 1HB ASN 11 3.555 -0.350 -14.214 64 HB3 ASN 11 2HB ASN 11 2.463 -1.603 -14.796 65 HD21 ASN 11 1HD2 ASN 11 1.661 0.449 -15.869 66 HD22 ASN 11 2HD2 ASN 11 0.411 1.306 -15.041 67 H TYR 12 H TYR 12 4.458 -2.399 -10.874 68 HA TYR 12 HA TYR 12 4.415 -0.003 -9.317 69 HB2 TYR 12 1HB TYR 12 6.316 -2.353 -9.175 70 HB3 TYR 12 2HB TYR 12 6.117 -1.110 -7.944 71 HD1 TYR 12 2HD TYR 12 3.053 -0.954 -8.181 72 HD2 TYR 12 1HD TYR 12 5.750 -4.223 -7.803 73 HE1 TYR 12 2HE TYR 12 1.280 -2.286 -7.118 74 HE2 TYR 12 1HE TYR 12 3.984 -5.565 -6.740 75 HH TYR 12 HH TYR 12 1.194 -4.285 -5.506 76 HA PRO 13 HA PRO 13 5.944 0.863 -7.761 77 HB2 PRO 13 1HB PRO 13 6.268 3.552 -7.566 78 HB3 PRO 13 2HB PRO 13 7.588 2.403 -7.310 79 HG2 PRO 13 1HG PRO 13 6.926 4.017 -9.743 80 HG3 PRO 13 2HG PRO 13 8.507 3.707 -9.003 81 HD2 PRO 13 1HD PRO 13 7.631 2.362 -11.183 82 HD3 PRO 13 2HD PRO 13 8.689 1.621 -9.965 83 H LEU 14 H LEU 14 4.061 1.828 -6.858 84 HA LEU 14 HA LEU 14 2.278 3.200 -8.740 85 HB2 LEU 14 1HB LEU 14 1.814 0.620 -7.337 86 HB3 LEU 14 2HB LEU 14 0.452 1.723 -7.523 87 HG LEU 14 HG LEU 14 2.099 0.792 -9.862 88 HD11 LEU 14 1HD1 LEU 14 -0.399 -0.522 -9.805 89 HD12 LEU 14 2HD1 LEU 14 0.366 -0.783 -8.239 90 HD13 LEU 14 3HD1 LEU 14 1.213 -1.232 -9.719 91 HD21 LEU 14 1HD2 LEU 14 0.781 2.745 -10.305 92 HD22 LEU 14 2HD2 LEU 14 -0.642 2.012 -9.565 93 HD23 LEU 14 3HD2 LEU 14 0.001 1.363 -11.074 94 H THR 15 H THR 15 0.574 4.407 -7.734 95 HA THR 15 HA THR 15 1.158 5.089 -4.925 96 HB THR 15 HB THR 15 -0.197 7.007 -6.791 97 HG1 THR 15 1HG THR 15 2.055 6.088 -7.461 98 HG21 THR 15 1HG2 THR 15 0.603 8.661 -5.288 99 HG22 THR 15 2HG2 THR 15 1.711 7.525 -4.517 100 HG23 THR 15 3HG2 THR 15 -0.029 7.354 -4.288 101 H CYS 16 H CYS 16 -0.390 4.551 -3.545 102 HA CYS 16 HA CYS 16 -3.154 4.339 -4.540 103 HB2 CYS 16 1HB CYS 16 -3.445 2.823 -2.493 104 HB3 CYS 16 2HB CYS 16 -2.517 2.182 -3.843 105 HG CYS 16 HG CYS 16 -0.432 3.683 -1.827 106 H LYS 17 H LYS 17 -4.820 4.661 -2.766 107 HA LYS 17 HA LYS 17 -3.998 6.860 -0.986 108 HB2 LYS 17 1HB LYS 17 -5.234 7.870 -2.762 109 HB3 LYS 17 2HB LYS 17 -6.475 6.627 -2.691 110 HG2 LYS 17 1HG LYS 17 -7.509 8.385 -1.638 111 HG3 LYS 17 2HG LYS 17 -6.835 7.498 -0.269 112 HD2 LYS 17 1HD LYS 17 -5.188 9.070 0.108 113 HD3 LYS 17 2HD LYS 17 -5.221 9.656 -1.557 114 HE2 LYS 17 1HE LYS 17 -7.500 10.585 -1.086 115 HE3 LYS 17 2HE LYS 17 -7.257 10.160 0.607 116 HZ1 LYS 17 1HZ LYS 17 -5.987 11.940 0.922 117 HZ2 LYS 17 2HZ LYS 17 -6.522 12.500 -0.582 118 HZ3 LYS 17 3HZ LYS 17 -5.065 11.649 -0.467 119 H VAL 18 H VAL 18 -4.049 6.030 1.006 120 HA VAL 18 HA VAL 18 -5.572 3.847 1.857 121 HB VAL 18 HB VAL 18 -4.478 6.102 3.545 122 HG11 VAL 18 1HG1 VAL 18 -4.397 3.967 5.153 123 HG12 VAL 18 2HG1 VAL 18 -5.783 5.058 5.078 124 HG13 VAL 18 3HG1 VAL 18 -5.807 3.537 4.185 125 HG21 VAL 18 1HG2 VAL 18 -2.444 5.096 3.546 126 HG22 VAL 18 2HG2 VAL 18 -3.119 3.477 3.359 127 HG23 VAL 18 3HG2 VAL 18 -2.991 4.546 1.963 128 H VAL 19 H VAL 19 -7.715 3.726 1.902 129 HA VAL 19 HA VAL 19 -9.286 6.127 2.502 130 HB VAL 19 HB VAL 19 -11.216 4.485 1.854 131 HG11 VAL 19 1HG1 VAL 19 -10.172 4.923 -0.676 132 HG12 VAL 19 2HG1 VAL 19 -11.197 6.026 0.244 133 HG13 VAL 19 3HG1 VAL 19 -9.442 6.184 0.317 134 HG21 VAL 19 1HG2 VAL 19 -10.650 2.683 0.439 135 HG22 VAL 19 2HG2 VAL 19 -8.963 3.187 0.340 136 HG23 VAL 19 3HG2 VAL 19 -9.600 2.529 1.847 137 H TYR 20 H TYR 20 -8.634 2.876 3.652 138 HA TYR 20 HA TYR 20 -10.319 3.421 6.007 139 HB2 TYR 20 1HB TYR 20 -9.752 0.892 4.504 140 HB3 TYR 20 2HB TYR 20 -10.155 0.814 6.215 141 HD1 TYR 20 2HD TYR 20 -11.404 2.213 2.993 142 HD2 TYR 20 1HD TYR 20 -12.386 0.751 6.866 143 HE1 TYR 20 2HE TYR 20 -13.795 2.340 2.428 144 HE2 TYR 20 1HE TYR 20 -14.779 0.872 6.312 145 HH TYR 20 HH TYR 20 -15.886 1.531 3.082 146 H SER 21 H SER 21 -8.972 4.194 7.520 147 HA SER 21 HA SER 21 -6.279 3.822 7.819 148 HB2 SER 21 1HB SER 21 -7.253 5.448 9.208 149 HB3 SER 21 2HB SER 21 -8.447 4.319 9.847 150 HG SER 21 HG SER 21 -5.656 4.320 10.363 151 H TYR 22 H TYR 22 -4.944 2.425 8.970 152 HA TYR 22 HA TYR 22 -6.120 0.028 10.144 153 HB2 TYR 22 1HB TYR 22 -5.833 -0.887 8.028 154 HB3 TYR 22 2HB TYR 22 -4.399 0.077 7.692 155 HD1 TYR 22 2HD TYR 22 -5.615 -2.733 9.811 156 HD2 TYR 22 1HD TYR 22 -2.276 -0.851 7.963 157 HE1 TYR 22 2HE TYR 22 -4.194 -4.634 10.456 158 HE2 TYR 22 1HE TYR 22 -0.846 -2.748 8.602 159 HH TYR 22 HH TYR 22 -2.090 -5.400 10.585 160 H LYS 23 H LYS 23 -5.215 -0.178 12.070 161 HA LYS 23 HA LYS 23 -2.657 1.040 12.652 162 HB2 LYS 23 1HB LYS 23 -4.833 0.846 14.150 163 HB3 LYS 23 2HB LYS 23 -4.095 -0.678 14.626 164 HG2 LYS 23 1HG LYS 23 -2.417 1.771 14.695 165 HG3 LYS 23 2HG LYS 23 -3.644 1.557 15.946 166 HD2 LYS 23 1HD LYS 23 -2.665 -0.755 16.309 167 HD3 LYS 23 2HD LYS 23 -1.317 -0.237 15.293 168 HE2 LYS 23 1HE LYS 23 -2.220 1.234 17.763 169 HE3 LYS 23 2HE LYS 23 -0.948 0.012 17.762 170 HZ1 LYS 23 1HZ LYS 23 0.243 1.942 17.522 171 HZ2 LYS 23 2HZ LYS 23 -0.936 2.702 16.578 172 HZ3 LYS 23 3HZ LYS 23 0.041 1.498 15.902 173 H ALA 24 H ALA 24 -0.870 -0.014 12.077 174 HA ALA 24 HA ALA 24 -0.659 -2.747 11.545 175 HB1 ALA 24 1HB ALA 24 1.564 -0.887 12.373 176 HB2 ALA 24 2HB ALA 24 1.732 -2.408 11.495 177 HB3 ALA 24 3HB ALA 24 0.924 -1.036 10.737 178 H SER 25 H SER 25 -0.398 -4.495 12.784 179 HA SER 25 HA SER 25 -0.133 -4.103 15.674 180 HB2 SER 25 1HB SER 25 -0.923 -6.589 14.136 181 HB3 SER 25 2HB SER 25 -0.978 -6.387 15.887 182 HG SER 25 HG SER 25 -2.617 -5.258 13.909 183 H GLN 26 H GLN 26 1.463 -5.533 12.926 184 HA GLN 26 HA GLN 26 3.516 -6.699 14.666 185 HB2 GLN 26 1HB GLN 26 2.838 -7.109 11.758 186 HB3 GLN 26 2HB GLN 26 4.324 -7.720 12.473 187 HG2 GLN 26 1HG GLN 26 1.610 -8.395 13.561 188 HG3 GLN 26 2HG GLN 26 2.394 -9.339 12.296 189 HE21 GLN 26 1HE2 GLN 26 4.293 -10.480 12.787 190 HE22 GLN 26 2HE2 GLN 26 4.710 -10.877 14.416 191 HA PRO 27 HA PRO 27 6.462 -3.570 13.773 192 HB2 PRO 27 1HB PRO 27 8.767 -5.002 13.830 193 HB3 PRO 27 2HB PRO 27 7.842 -4.612 15.285 194 HG2 PRO 27 1HG PRO 27 7.889 -7.147 13.694 195 HG3 PRO 27 2HG PRO 27 7.904 -6.931 15.454 196 HD2 PRO 27 1HD PRO 27 5.659 -7.577 14.084 197 HD3 PRO 27 2HD PRO 27 5.627 -6.586 15.556 198 H ASP 28 H ASP 28 5.944 -6.192 11.664 199 HA ASP 28 HA ASP 28 7.835 -5.232 9.661 200 HB2 ASP 28 1HB ASP 28 6.172 -7.689 9.996 201 HB3 ASP 28 2HB ASP 28 6.649 -7.218 8.367 202 H GLU 29 H GLU 29 4.492 -5.038 10.467 203 HA GLU 29 HA GLU 29 3.540 -4.381 7.850 204 HB2 GLU 29 1HB GLU 29 2.408 -4.413 10.600 205 HB3 GLU 29 2HB GLU 29 1.607 -3.397 9.410 206 HG2 GLU 29 1HG GLU 29 0.477 -5.440 9.335 207 HG3 GLU 29 2HG GLU 29 1.530 -5.445 7.921 208 H LEU 30 H LEU 30 2.394 -2.244 7.479 209 HA LEU 30 HA LEU 30 4.078 -0.046 8.486 210 HB2 LEU 30 1HB LEU 30 4.082 -0.824 5.964 211 HB3 LEU 30 2HB LEU 30 2.626 0.168 5.896 212 HG LEU 30 HG LEU 30 4.739 1.302 5.163 213 HD11 LEU 30 1HD1 LEU 30 3.087 2.390 7.423 214 HD12 LEU 30 2HD1 LEU 30 2.926 2.698 5.695 215 HD13 LEU 30 3HD1 LEU 30 4.298 3.359 6.584 216 HD21 LEU 30 1HD2 LEU 30 5.835 0.183 7.394 217 HD22 LEU 30 2HD2 LEU 30 5.543 1.838 7.928 218 HD23 LEU 30 3HD2 LEU 30 6.527 1.534 6.495 219 H THR 31 H THR 31 2.954 1.081 9.931 220 HA THR 31 HA THR 31 0.178 1.124 10.206 221 HB THR 31 HB THR 31 2.077 3.302 11.094 222 HG1 THR 31 1HG THR 31 2.728 1.967 12.610 223 HG21 THR 31 1HG2 THR 31 -0.227 2.549 12.756 224 HG22 THR 31 2HG2 THR 31 -0.644 3.290 11.211 225 HG23 THR 31 3HG2 THR 31 0.402 4.144 12.345 226 H ILE 32 H ILE 32 -1.273 1.901 8.831 227 HA ILE 32 HA ILE 32 -0.615 4.346 7.322 228 HB ILE 32 HB ILE 32 -2.073 3.624 5.559 229 HG12 ILE 32 1HG1 ILE 32 -2.685 1.239 7.317 230 HG13 ILE 32 2HG1 ILE 32 -3.799 2.537 6.901 231 HG21 ILE 32 1HG2 ILE 32 0.179 2.030 6.443 232 HG22 ILE 32 2HG2 ILE 32 -0.933 1.106 5.435 233 HG23 ILE 32 3HG2 ILE 32 -0.232 2.606 4.828 234 HD11 ILE 32 1HD1 ILE 32 -2.907 0.216 5.313 235 HD12 ILE 32 2HD1 ILE 32 -4.478 1.014 5.383 236 HD13 ILE 32 3HD1 ILE 32 -3.167 1.727 4.443 237 H GLU 33 H GLU 33 -2.487 5.719 6.767 238 HA GLU 33 HA GLU 33 -4.803 5.479 8.513 239 HB2 GLU 33 1HB GLU 33 -2.684 7.547 8.796 240 HB3 GLU 33 2HB GLU 33 -4.353 8.072 8.974 241 HG2 GLU 33 1HG GLU 33 -4.701 6.760 10.854 242 HG3 GLU 33 2HG GLU 33 -3.328 5.713 10.497 243 H GLU 34 H GLU 34 -6.597 6.687 7.830 244 HA GLU 34 HA GLU 34 -7.038 6.926 5.138 245 HB2 GLU 34 1HB GLU 34 -8.736 7.032 7.028 246 HB3 GLU 34 2HB GLU 34 -8.344 8.740 7.162 247 HG2 GLU 34 1HG GLU 34 -9.088 9.131 4.900 248 HG3 GLU 34 2HG GLU 34 -9.385 7.408 4.673 249 H HIS 35 H HIS 35 -7.092 8.634 3.650 250 HA HIS 35 HA HIS 35 -6.328 10.497 2.591 251 HB2 HIS 35 1HB HIS 35 -5.986 11.721 5.330 252 HB3 HIS 35 2HB HIS 35 -6.235 12.559 3.801 253 HD1 HIS 35 1HD HIS 35 -8.678 11.129 2.712 254 HD2 HIS 35 2HD HIS 35 -8.269 12.231 6.697 255 HE1 HIS 35 1HE HIS 35 -11.021 11.274 3.614 256 HE2 HIS 35 2HE HIS 35 -10.752 12.025 6.003 257 H GLU 36 H GLU 36 -4.484 8.461 3.123 258 HA GLU 36 HA GLU 36 -2.008 10.033 3.335 259 HB2 GLU 36 1HB GLU 36 -2.349 8.756 5.421 260 HB3 GLU 36 2HB GLU 36 -2.436 7.270 4.485 261 HG2 GLU 36 1HG GLU 36 -0.108 7.819 3.657 262 HG3 GLU 36 2HG GLU 36 -0.064 9.057 4.911 263 H VAL 37 H VAL 37 -1.428 10.084 1.235 264 HA VAL 37 HA VAL 37 -1.781 7.866 -0.539 265 HB VAL 37 HB VAL 37 -0.142 10.379 -0.900 266 HG11 VAL 37 1HG1 VAL 37 0.026 9.867 -3.183 267 HG12 VAL 37 2HG1 VAL 37 0.401 8.354 -2.356 268 HG13 VAL 37 3HG1 VAL 37 -1.191 8.595 -3.076 269 HG21 VAL 37 1HG2 VAL 37 -2.983 9.690 -1.615 270 HG22 VAL 37 2HG2 VAL 37 -2.409 11.007 -0.591 271 HG23 VAL 37 3HG2 VAL 37 -2.111 11.047 -2.329 272 H LEU 38 H LEU 38 -0.540 6.124 -0.621 273 HA LEU 38 HA LEU 38 2.236 6.315 0.331 274 HB2 LEU 38 1HB LEU 38 0.575 3.827 -0.012 275 HB3 LEU 38 2HB LEU 38 2.142 3.962 0.783 276 HG LEU 38 HG LEU 38 -0.210 5.466 1.857 277 HD11 LEU 38 1HD1 LEU 38 -0.936 3.628 3.147 278 HD12 LEU 38 2HD1 LEU 38 0.433 2.637 2.645 279 HD13 LEU 38 3HD1 LEU 38 -0.831 3.046 1.486 280 HD21 LEU 38 1HD2 LEU 38 1.090 5.790 3.658 281 HD22 LEU 38 2HD2 LEU 38 2.411 5.399 2.557 282 HD23 LEU 38 3HD2 LEU 38 1.743 4.152 3.610 283 H GLU 39 H GLU 39 3.624 4.469 -0.740 284 HA GLU 39 HA GLU 39 3.125 4.487 -3.641 285 HB2 GLU 39 1HB GLU 39 4.896 6.139 -2.869 286 HB3 GLU 39 2HB GLU 39 5.865 4.746 -2.408 287 HG2 GLU 39 1HG GLU 39 5.908 3.970 -4.693 288 HG3 GLU 39 2HG GLU 39 4.840 5.283 -5.186 289 H VAL 40 H VAL 40 2.582 2.418 -4.012 290 HA VAL 40 HA VAL 40 3.706 0.212 -2.594 291 HB VAL 40 HB VAL 40 2.138 0.194 -5.178 292 HG11 VAL 40 1HG1 VAL 40 3.192 -1.901 -4.970 293 HG12 VAL 40 2HG1 VAL 40 2.901 -1.966 -3.231 294 HG13 VAL 40 3HG1 VAL 40 1.555 -2.138 -4.359 295 HG21 VAL 40 1HG2 VAL 40 0.582 -0.678 -2.993 296 HG22 VAL 40 2HG2 VAL 40 1.343 0.838 -2.510 297 HG23 VAL 40 3HG2 VAL 40 0.363 0.771 -3.974 298 H ILE 41 H ILE 41 5.713 -0.490 -2.870 299 HA ILE 41 HA ILE 41 6.980 -0.205 -5.503 300 HB ILE 41 HB ILE 41 9.110 -0.598 -4.343 301 HG12 ILE 41 1HG1 ILE 41 7.366 -0.721 -1.875 302 HG13 ILE 41 2HG1 ILE 41 8.361 -2.018 -2.528 303 HG21 ILE 41 1HG2 ILE 41 7.307 1.606 -3.423 304 HG22 ILE 41 2HG2 ILE 41 8.967 1.498 -2.839 305 HG23 ILE 41 3HG2 ILE 41 8.649 1.665 -4.565 306 HD11 ILE 41 1HD1 ILE 41 10.335 -0.446 -2.134 307 HD12 ILE 41 2HD1 ILE 41 9.220 0.484 -1.131 308 HD13 ILE 41 3HD1 ILE 41 9.579 -1.195 -0.728 309 H GLU 42 H GLU 42 6.015 -2.546 -3.096 310 HA GLU 42 HA GLU 42 6.712 -4.689 -4.984 311 HB2 GLU 42 1HB GLU 42 7.474 -4.425 -2.118 312 HB3 GLU 42 2HB GLU 42 7.041 -6.026 -2.701 313 HG2 GLU 42 1HG GLU 42 8.993 -4.433 -4.273 314 HG3 GLU 42 2HG GLU 42 9.522 -5.161 -2.757 315 H ASP 43 H ASP 43 5.555 -6.770 -4.402 316 HA ASP 43 HA ASP 43 2.760 -6.121 -3.883 317 HB2 ASP 43 1HB ASP 43 2.576 -8.666 -4.559 318 HB3 ASP 43 2HB ASP 43 2.823 -7.423 -5.783 319 H GLY 44 H GLY 44 4.671 -6.172 -1.686 320 HA2 GLY 44 1HA GLY 44 4.807 -6.938 0.473 321 HA3 GLY 44 2HA GLY 44 3.153 -7.489 0.250 322 H ASP 45 H ASP 45 4.096 -9.145 1.800 323 HA ASP 45 HA ASP 45 5.584 -11.241 0.385 324 HB2 ASP 45 1HB ASP 45 6.598 -10.686 2.473 325 HB3 ASP 45 2HB ASP 45 5.052 -10.756 3.316 326 H MET 46 H MET 46 2.514 -10.524 1.868 327 HA MET 46 HA MET 46 1.607 -13.280 1.649 328 HB2 MET 46 1HB MET 46 1.024 -11.471 3.498 329 HB3 MET 46 2HB MET 46 -0.238 -11.043 2.350 330 HG2 MET 46 1HG MET 46 -1.246 -12.557 3.805 331 HG3 MET 46 2HG MET 46 -0.870 -13.502 2.366 332 HE1 MET 46 1HE MET 46 1.444 -13.272 6.216 333 HE2 MET 46 2HE MET 46 0.062 -12.312 5.685 334 HE3 MET 46 3HE MET 46 -0.196 -13.864 6.485 335 H GLU 47 H GLU 47 -0.439 -13.765 0.536 336 HA GLU 47 HA GLU 47 -0.369 -12.956 -2.154 337 HB2 GLU 47 1HB GLU 47 -2.626 -14.280 -0.640 338 HB3 GLU 47 2HB GLU 47 -2.476 -14.201 -2.390 339 HG2 GLU 47 1HG GLU 47 -0.220 -15.391 -2.027 340 HG3 GLU 47 2HG GLU 47 -0.861 -15.778 -0.431 341 H ASP 48 H ASP 48 -2.463 -11.997 0.532 342 HA ASP 48 HA ASP 48 -3.668 -9.938 -1.185 343 HB2 ASP 48 1HB ASP 48 -5.418 -9.776 0.546 344 HB3 ASP 48 2HB ASP 48 -5.275 -11.412 -0.090 345 H TRP 49 H TRP 49 -1.125 -9.355 -0.493 346 HA TRP 49 HA TRP 49 -1.493 -7.012 1.176 347 HB2 TRP 49 1HB TRP 49 0.440 -9.221 1.883 348 HB3 TRP 49 2HB TRP 49 0.601 -7.578 2.498 349 HD1 TRP 49 HD TRP 49 -2.113 -10.362 2.475 350 HE1 TRP 49 1HE TRP 49 -3.359 -10.264 4.725 351 HE3 TRP 49 3HE TRP 49 0.253 -6.326 4.535 352 HZ2 TRP 49 2HZ TRP 49 -3.341 -8.684 7.064 353 HZ3 TRP 49 3HZ TRP 49 -0.421 -5.585 6.783 354 HH2 TRP 49 HH TRP 49 -2.181 -6.740 8.019 355 H VAL 50 H VAL 50 0.153 -5.432 0.905 356 HA VAL 50 HA VAL 50 2.109 -5.964 -1.217 357 HB VAL 50 HB VAL 50 1.614 -3.789 -2.268 358 HG11 VAL 50 1HG1 VAL 50 0.626 -5.465 -3.480 359 HG12 VAL 50 2HG1 VAL 50 -0.416 -5.965 -2.146 360 HG13 VAL 50 3HG1 VAL 50 -0.789 -4.501 -3.058 361 HG21 VAL 50 1HG2 VAL 50 -0.287 -2.490 -1.694 362 HG22 VAL 50 2HG2 VAL 50 -0.881 -3.724 -0.584 363 HG23 VAL 50 3HG2 VAL 50 0.575 -2.811 -0.189 364 H LYS 51 H LYS 51 3.731 -4.165 -1.390 365 HA LYS 51 HA LYS 51 4.352 -3.153 1.303 366 HB2 LYS 51 1HB LYS 51 5.898 -4.794 -0.088 367 HB3 LYS 51 2HB LYS 51 6.416 -3.296 -0.850 368 HG2 LYS 51 1HG LYS 51 7.064 -2.397 1.313 369 HG3 LYS 51 2HG LYS 51 6.504 -3.872 2.105 370 HD2 LYS 51 1HD LYS 51 8.158 -5.014 0.402 371 HD3 LYS 51 2HD LYS 51 8.911 -3.417 0.407 372 HE2 LYS 51 1HE LYS 51 8.684 -3.716 3.023 373 HE3 LYS 51 2HE LYS 51 8.679 -5.425 2.591 374 HZ1 LYS 51 1HZ LYS 51 10.734 -4.101 1.189 375 HZ2 LYS 51 2HZ LYS 51 10.860 -5.355 2.317 376 HZ3 LYS 51 3HZ LYS 51 10.875 -3.745 2.836 377 H ALA 52 H ALA 52 4.242 -1.036 1.623 378 HA ALA 52 HA ALA 52 4.668 0.769 -0.661 379 HB1 ALA 52 1HB ALA 52 2.254 0.431 0.905 380 HB2 ALA 52 2HB ALA 52 2.841 2.094 0.944 381 HB3 ALA 52 3HB ALA 52 2.510 1.312 -0.602 382 H ARG 53 H ARG 53 5.328 2.935 -0.070 383 HA ARG 53 HA ARG 53 6.662 3.028 2.557 384 HB2 ARG 53 1HB ARG 53 8.233 2.836 0.651 385 HB3 ARG 53 2HB ARG 53 7.571 4.321 -0.020 386 HG2 ARG 53 1HG ARG 53 8.247 5.404 2.198 387 HG3 ARG 53 2HG ARG 53 9.222 3.955 2.450 388 HD2 ARG 53 1HD ARG 53 10.707 5.444 1.451 389 HD3 ARG 53 2HD ARG 53 10.168 4.435 0.110 390 HE ARG 53 HE ARG 53 8.455 6.576 0.130 391 HH11 ARG 53 2HH1 ARG 53 11.900 6.135 -0.116 392 HH12 ARG 53 1HH1 ARG 53 12.143 7.551 -1.085 393 HH21 ARG 53 2HH2 ARG 53 8.763 8.441 -1.146 394 HH22 ARG 53 1HH2 ARG 53 10.358 8.862 -1.670 395 H ASN 54 H ASN 54 5.963 4.562 3.880 396 HA ASN 54 HA ASN 54 4.120 6.570 2.952 397 HB2 ASN 54 1HB ASN 54 4.301 7.280 5.447 398 HB3 ASN 54 2HB ASN 54 3.530 5.746 5.053 399 HD21 ASN 54 1HD2 ASN 54 4.195 5.715 7.480 400 HD22 ASN 54 2HD2 ASN 54 5.692 4.916 7.806 401 H LYS 55 H LYS 55 4.554 8.810 4.294 402 HA LYS 55 HA LYS 55 6.586 10.110 2.840 403 HB2 LYS 55 1HB LYS 55 5.977 12.084 4.027 404 HB3 LYS 55 2HB LYS 55 4.498 11.167 3.773 405 HG2 LYS 55 1HG LYS 55 4.226 11.738 5.955 406 HG3 LYS 55 2HG LYS 55 5.091 10.214 6.160 407 HD2 LYS 55 1HD LYS 55 7.055 11.257 6.768 408 HD3 LYS 55 2HD LYS 55 6.645 12.752 5.923 409 HE2 LYS 55 1HE LYS 55 4.785 13.004 7.663 410 HE3 LYS 55 2HE LYS 55 5.632 11.749 8.568 411 HZ1 LYS 55 1HZ LYS 55 7.047 13.257 9.316 412 HZ2 LYS 55 2HZ LYS 55 6.175 14.472 8.528 413 HZ3 LYS 55 3HZ LYS 55 7.471 13.718 7.744 414 H VAL 56 H VAL 56 6.467 8.800 6.100 415 HA VAL 56 HA VAL 56 8.870 9.943 7.046 416 HB VAL 56 HB VAL 56 8.835 8.073 8.719 417 HG11 VAL 56 1HG1 VAL 56 7.658 10.247 9.027 418 HG12 VAL 56 2HG1 VAL 56 6.189 9.484 8.413 419 HG13 VAL 56 3HG1 VAL 56 6.928 8.905 9.907 420 HG21 VAL 56 1HG2 VAL 56 6.142 7.221 8.047 421 HG22 VAL 56 2HG2 VAL 56 7.315 6.783 6.804 422 HG23 VAL 56 3HG2 VAL 56 7.559 6.259 8.470 423 H GLY 57 H GLY 57 8.359 7.671 4.642 424 HA2 GLY 57 1HA GLY 57 10.027 6.710 3.308 425 HA3 GLY 57 2HA GLY 57 11.197 7.030 4.580 426 H GLN 58 H GLN 58 8.855 5.722 6.297 427 HA GLN 58 HA GLN 58 10.133 3.257 6.676 428 HB2 GLN 58 1HB GLN 58 7.565 4.472 7.552 429 HB3 GLN 58 2HB GLN 58 7.722 2.727 7.703 430 HG2 GLN 58 1HG GLN 58 9.855 4.524 8.768 431 HG3 GLN 58 2HG GLN 58 8.375 4.252 9.686 432 HE21 GLN 58 1HE2 GLN 58 11.280 2.816 8.432 433 HE22 GLN 58 2HE2 GLN 58 11.215 1.370 9.375 434 H VAL 59 H VAL 59 9.431 1.120 6.201 435 HA VAL 59 HA VAL 59 7.508 0.864 3.998 436 HB VAL 59 HB VAL 59 10.179 -0.541 4.001 437 HG11 VAL 59 1HG1 VAL 59 8.155 -1.592 2.870 438 HG12 VAL 59 2HG1 VAL 59 8.240 -0.253 1.724 439 HG13 VAL 59 3HG1 VAL 59 9.597 -1.369 1.880 440 HG21 VAL 59 1HG2 VAL 59 9.869 1.272 1.819 441 HG22 VAL 59 2HG2 VAL 59 9.623 2.146 3.331 442 HG23 VAL 59 3HG2 VAL 59 11.115 1.244 3.067 443 H GLY 60 H GLY 60 6.087 -0.723 4.326 444 HA2 GLY 60 1HA GLY 60 6.848 -3.143 5.732 445 HA3 GLY 60 2HA GLY 60 5.685 -2.134 6.579 446 H TYR 61 H TYR 61 4.683 -4.451 6.176 447 HA TYR 61 HA TYR 61 3.407 -4.649 3.570 448 HB2 TYR 61 1HB TYR 61 3.186 -6.439 5.999 449 HB3 TYR 61 2HB TYR 61 2.516 -6.783 4.407 450 HD1 TYR 61 2HD TYR 61 4.613 -6.159 2.556 451 HD2 TYR 61 1HD TYR 61 4.920 -7.902 6.425 452 HE1 TYR 61 2HE TYR 61 6.723 -7.236 1.897 453 HE2 TYR 61 1HE TYR 61 7.031 -8.984 5.777 454 HH TYR 61 HH TYR 61 8.227 -9.659 3.811 455 H VAL 62 H VAL 62 1.347 -4.131 3.133 456 HA VAL 62 HA VAL 62 -0.467 -3.533 5.365 457 HB VAL 62 HB VAL 62 -1.265 -1.514 4.304 458 HG11 VAL 62 1HG1 VAL 62 0.828 -0.126 4.427 459 HG12 VAL 62 2HG1 VAL 62 0.523 -1.152 5.830 460 HG13 VAL 62 3HG1 VAL 62 1.726 -1.629 4.631 461 HG21 VAL 62 1HG2 VAL 62 0.101 -0.620 2.328 462 HG22 VAL 62 2HG2 VAL 62 0.646 -2.285 2.120 463 HG23 VAL 62 3HG2 VAL 62 -1.071 -1.898 2.004 464 HA PRO 63 HA PRO 63 -3.430 -5.842 3.085 465 HB2 PRO 63 1HB PRO 63 -5.726 -4.699 3.975 466 HB3 PRO 63 2HB PRO 63 -4.738 -5.771 4.973 467 HG2 PRO 63 1HG PRO 63 -4.849 -2.780 4.944 468 HG3 PRO 63 2HG PRO 63 -4.785 -3.884 6.330 469 HD2 PRO 63 1HD PRO 63 -2.603 -2.570 5.412 470 HD3 PRO 63 2HD PRO 63 -2.507 -4.184 6.146 471 H GLU 64 H GLU 64 -4.099 -5.730 1.037 472 HA GLU 64 HA GLU 64 -4.190 -3.228 -0.348 473 HB2 GLU 64 1HB GLU 64 -3.442 -5.489 -1.282 474 HB3 GLU 64 2HB GLU 64 -5.152 -5.873 -1.421 475 HG2 GLU 64 1HG GLU 64 -4.111 -3.357 -2.631 476 HG3 GLU 64 2HG GLU 64 -3.847 -4.896 -3.449 477 H LYS 65 H LYS 65 -6.563 -5.494 0.899 478 HA LYS 65 HA LYS 65 -8.857 -4.626 -0.380 479 HB2 LYS 65 1HB LYS 65 -10.068 -5.399 1.668 480 HB3 LYS 65 2HB LYS 65 -8.927 -6.571 1.020 481 HG2 LYS 65 1HG LYS 65 -7.275 -5.698 2.730 482 HG3 LYS 65 2HG LYS 65 -8.640 -4.855 3.467 483 HD2 LYS 65 1HD LYS 65 -8.915 -7.760 2.875 484 HD3 LYS 65 2HD LYS 65 -7.925 -7.273 4.253 485 HE2 LYS 65 1HE LYS 65 -9.950 -7.439 5.287 486 HE3 LYS 65 2HE LYS 65 -10.031 -5.757 4.765 487 HZ1 LYS 65 1HZ LYS 65 -11.119 -6.753 2.672 488 HZ2 LYS 65 2HZ LYS 65 -12.045 -6.609 4.080 489 HZ3 LYS 65 3HZ LYS 65 -11.401 -8.110 3.642 490 H TYR 66 H TYR 66 -6.997 -3.071 2.100 491 HA TYR 66 HA TYR 66 -9.089 -1.077 2.556 492 HB2 TYR 66 1HB TYR 66 -6.485 -1.689 3.941 493 HB3 TYR 66 2HB TYR 66 -7.380 -0.209 4.262 494 HD1 TYR 66 1HD TYR 66 -10.149 -1.082 4.303 495 HD2 TYR 66 2HD TYR 66 -6.685 -3.030 5.820 496 HE1 TYR 66 1HE TYR 66 -11.545 -2.276 5.939 497 HE2 TYR 66 2HE TYR 66 -8.071 -4.231 7.459 498 HH TYR 66 HH TYR 66 -11.419 -3.447 7.959 499 H LEU 67 H LEU 67 -6.292 -1.569 0.697 500 HA LEU 67 HA LEU 67 -5.612 1.236 0.449 501 HB2 LEU 67 1HB LEU 67 -4.556 -1.301 -0.745 502 HB3 LEU 67 2HB LEU 67 -4.078 0.269 -1.386 503 HG LEU 67 HG LEU 67 -3.592 -0.750 1.413 504 HD11 LEU 67 1HD1 LEU 67 -2.004 -1.818 0.144 505 HD12 LEU 67 2HD1 LEU 67 -1.172 -0.313 0.533 506 HD13 LEU 67 3HD1 LEU 67 -1.925 -0.521 -1.049 507 HD21 LEU 67 1HD2 LEU 67 -2.229 1.338 1.616 508 HD22 LEU 67 2HD2 LEU 67 -3.971 1.601 1.546 509 HD23 LEU 67 3HD2 LEU 67 -2.976 1.901 0.121 510 H GLN 68 H GLN 68 -5.687 2.400 -1.544 511 HA GLN 68 HA GLN 68 -7.768 1.426 -3.389 512 HB2 GLN 68 1HB GLN 68 -8.251 3.462 -1.845 513 HB3 GLN 68 2HB GLN 68 -7.208 4.342 -2.953 514 HG2 GLN 68 1HG GLN 68 -9.448 2.731 -4.065 515 HG3 GLN 68 2HG GLN 68 -9.803 4.275 -3.292 516 HE21 GLN 68 1HE2 GLN 68 -10.564 4.777 -5.488 517 HE22 GLN 68 2HE2 GLN 68 -9.421 5.385 -6.632 518 H PHE 69 H PHE 69 -6.488 0.595 -4.982 519 HA PHE 69 HA PHE 69 -4.194 2.013 -5.980 520 HB2 PHE 69 1HB PHE 69 -5.604 -0.525 -6.758 521 HB3 PHE 69 2HB PHE 69 -4.354 0.163 -7.790 522 HD1 PHE 69 1HD PHE 69 -4.654 -0.178 -4.089 523 HD2 PHE 69 2HD PHE 69 -2.448 -1.104 -7.609 524 HE1 PHE 69 1HE PHE 69 -2.928 -1.268 -2.716 525 HE2 PHE 69 2HE PHE 69 -0.719 -2.197 -6.242 526 HZ PHE 69 HZ PHE 69 -0.958 -2.281 -3.792 527 HA PRO 70 HA PRO 70 -6.030 4.426 -9.151 528 HB2 PRO 70 1HB PRO 70 -4.166 4.270 -11.118 529 HB3 PRO 70 2HB PRO 70 -3.921 5.199 -9.635 530 HG2 PRO 70 1HG PRO 70 -2.936 2.461 -10.339 531 HG3 PRO 70 2HG PRO 70 -2.075 3.788 -9.538 532 HD2 PRO 70 1HD PRO 70 -3.129 1.702 -8.171 533 HD3 PRO 70 2HD PRO 70 -3.027 3.337 -7.488 534 H THR 71 H THR 71 -6.956 4.385 -11.289 535 HA THR 71 HA THR 71 -7.571 1.651 -12.180 536 HB THR 71 HB THR 71 -9.146 4.081 -12.989 537 HG1 THR 71 1HG THR 71 -9.803 2.493 -10.733 538 HG21 THR 71 1HG2 THR 71 -10.959 2.203 -12.839 539 HG22 THR 71 2HG2 THR 71 -9.569 1.121 -12.926 540 HG23 THR 71 3HG2 THR 71 -9.876 2.270 -14.228 541 H SER 72 H SER 72 -7.968 1.381 -14.531 542 HA SER 72 HA SER 72 -5.788 2.579 -16.017 543 HB2 SER 72 1HB SER 72 -7.783 0.427 -16.758 544 HB3 SER 72 2HB SER 72 -6.459 0.958 -17.795 545 HG SER 72 HG SER 72 -5.104 -0.147 -16.619 546 H SER 73 H SER 73 -9.188 1.952 -16.892 547 HA SER 73 HA SER 73 -9.156 4.180 -18.735 548 HB2 SER 73 1HB SER 73 -11.442 2.345 -17.976 549 HB3 SER 73 2HB SER 73 -11.401 3.448 -19.352 550 HG SER 73 HG SER 73 -10.022 1.036 -18.954 551 H GLY 74 H GLY 74 -9.983 6.159 -18.410 552 HA2 GLY 74 1HA GLY 74 -11.861 6.614 -16.222 553 HA3 GLY 74 2HA GLY 74 -10.313 7.439 -16.115 554 HA PRO 75 HA PRO 75 -13.498 9.835 -18.697 555 HB2 PRO 75 1HB PRO 75 -13.996 11.825 -16.919 556 HB3 PRO 75 2HB PRO 75 -14.942 10.333 -16.981 557 HG2 PRO 75 1HG PRO 75 -12.704 11.080 -15.140 558 HG3 PRO 75 2HG PRO 75 -14.238 10.274 -14.766 559 HD2 PRO 75 1HD PRO 75 -11.908 8.921 -15.032 560 HD3 PRO 75 2HD PRO 75 -13.476 8.219 -15.479 561 H SER 76 H SER 76 -12.540 11.145 -20.110 562 HA SER 76 HA SER 76 -9.997 12.061 -20.093 563 HB2 SER 76 1HB SER 76 -11.554 12.218 -22.027 564 HB3 SER 76 2HB SER 76 -12.326 13.605 -21.260 565 HG SER 76 HG SER 76 -10.696 14.168 -22.816 566 H SER 77 H SER 77 -8.872 13.326 -18.788 567 HA SER 77 HA SER 77 -10.291 15.401 -17.258 568 HB2 SER 77 1HB SER 77 -7.659 14.021 -16.677 569 HB3 SER 77 2HB SER 77 -8.382 15.284 -15.681 570 HG SER 77 HG SER 77 -9.601 13.825 -14.808 571 H GLY 78 H GLY 78 -9.946 17.454 -17.776 572 HA2 GLY 78 1HA GLY 78 -7.926 18.136 -19.729 573 HA3 GLY 78 2HA GLY 78 -9.125 19.222 -19.041 Start of MODEL 12 1 H1 GLY 1 H GLY 1 9.733 -4.602 -16.789 2 HA2 GLY 1 1HA GLY 1 10.202 -7.467 -17.249 3 HA3 GLY 1 2HA GLY 1 8.706 -6.755 -16.661 4 H SER 2 H SER 2 9.999 -8.278 -19.217 5 HA SER 2 HA SER 2 8.800 -6.697 -21.326 6 HB2 SER 2 1HB SER 2 9.744 -8.275 -22.844 7 HB3 SER 2 2HB SER 2 10.947 -8.037 -21.576 8 HG SER 2 HG SER 2 10.042 -9.966 -20.586 9 H SER 3 H SER 3 6.701 -6.774 -21.729 10 HA SER 3 HA SER 3 4.758 -8.256 -20.626 11 HB2 SER 3 1HB SER 3 4.989 -7.176 -23.422 12 HB3 SER 3 2HB SER 3 3.547 -8.060 -22.921 13 HG SER 3 HG SER 3 3.295 -6.536 -21.235 14 H GLY 4 H GLY 4 3.528 -10.131 -21.215 15 HA2 GLY 4 1HA GLY 4 3.294 -12.109 -22.617 16 HA3 GLY 4 2HA GLY 4 5.039 -12.092 -22.825 17 H SER 5 H SER 5 2.784 -12.043 -20.059 18 HA SER 5 HA SER 5 3.973 -14.504 -19.059 19 HB2 SER 5 1HB SER 5 4.657 -13.644 -16.961 20 HB3 SER 5 2HB SER 5 5.281 -12.499 -18.148 21 HG SER 5 HG SER 5 4.299 -11.309 -16.565 22 H SER 6 H SER 6 2.641 -15.662 -17.686 23 HA SER 6 HA SER 6 -0.149 -15.071 -17.879 24 HB2 SER 6 1HB SER 6 -0.513 -17.189 -16.872 25 HB3 SER 6 2HB SER 6 0.929 -17.389 -17.866 26 HG SER 6 HG SER 6 0.647 -17.437 -15.113 27 H GLY 7 H GLY 7 -1.626 -14.858 -16.091 28 HA2 GLY 7 1HA GLY 7 -2.336 -13.675 -14.247 29 HA3 GLY 7 2HA GLY 7 -1.050 -14.548 -13.428 30 H THR 8 H THR 8 -1.325 -11.809 -15.697 31 HA THR 8 HA THR 8 0.987 -10.481 -15.116 32 HB THR 8 HB THR 8 -0.558 -9.718 -16.850 33 HG1 THR 8 1HG THR 8 0.977 -8.228 -15.889 34 HG21 THR 8 1HG2 THR 8 -2.361 -8.051 -15.603 35 HG22 THR 8 2HG2 THR 8 -2.373 -9.487 -14.578 36 HG23 THR 8 3HG2 THR 8 -2.729 -9.629 -16.299 37 H LEU 9 H LEU 9 1.403 -8.553 -13.808 38 HA LEU 9 HA LEU 9 -0.137 -8.491 -11.303 39 HB2 LEU 9 1HB LEU 9 2.151 -9.728 -11.285 40 HB3 LEU 9 2HB LEU 9 2.829 -8.101 -11.312 41 HG LEU 9 HG LEU 9 1.559 -7.618 -9.217 42 HD11 LEU 9 1HD1 LEU 9 0.694 -9.505 -7.929 43 HD12 LEU 9 2HD1 LEU 9 1.032 -10.586 -9.281 44 HD13 LEU 9 3HD1 LEU 9 -0.176 -9.312 -9.451 45 HD21 LEU 9 1HD2 LEU 9 3.120 -8.708 -7.780 46 HD22 LEU 9 2HD2 LEU 9 3.957 -8.325 -9.285 47 HD23 LEU 9 3HD2 LEU 9 3.418 -9.975 -8.969 48 H ARG 10 H ARG 10 0.242 -6.490 -10.032 49 HA ARG 10 HA ARG 10 -0.380 -4.206 -11.380 50 HB2 ARG 10 1HB ARG 10 0.871 -4.741 -8.734 51 HB3 ARG 10 2HB ARG 10 0.908 -3.085 -9.325 52 HG2 ARG 10 1HG ARG 10 -1.050 -3.034 -8.176 53 HG3 ARG 10 2HG ARG 10 -1.655 -3.553 -9.751 54 HD2 ARG 10 1HD ARG 10 -0.807 -5.580 -7.722 55 HD3 ARG 10 2HD ARG 10 -2.392 -4.817 -7.599 56 HE ARG 10 HE ARG 10 -1.542 -6.761 -9.550 57 HH11 ARG 10 2HH1 ARG 10 -3.827 -4.249 -8.782 58 HH12 ARG 10 1HH1 ARG 10 -5.038 -4.836 -9.872 59 HH21 ARG 10 2HH2 ARG 10 -3.128 -7.544 -10.990 60 HH22 ARG 10 1HH2 ARG 10 -4.640 -6.711 -11.128 61 H ASN 11 H ASN 11 0.918 -2.174 -11.610 62 HA ASN 11 HA ASN 11 3.561 -2.820 -12.734 63 HB2 ASN 11 1HB ASN 11 1.807 -1.983 -14.324 64 HB3 ASN 11 2HB ASN 11 1.799 -0.464 -13.433 65 HD21 ASN 11 1HD2 ASN 11 3.006 1.065 -14.264 66 HD22 ASN 11 2HD2 ASN 11 4.420 0.841 -15.231 67 H TYR 12 H TYR 12 4.305 -2.596 -10.453 68 HA TYR 12 HA TYR 12 4.237 -0.102 -9.123 69 HB2 TYR 12 1HB TYR 12 6.272 -2.317 -8.812 70 HB3 TYR 12 2HB TYR 12 5.930 -1.039 -7.651 71 HD1 TYR 12 2HD TYR 12 2.835 -1.230 -8.176 72 HD2 TYR 12 1HD TYR 12 5.843 -4.073 -7.190 73 HE1 TYR 12 2HE TYR 12 1.135 -2.651 -7.110 74 HE2 TYR 12 1HE TYR 12 4.151 -5.503 -6.123 75 HH TYR 12 HH TYR 12 1.184 -4.485 -5.229 76 HA PRO 13 HA PRO 13 5.710 0.938 -7.629 77 HB2 PRO 13 1HB PRO 13 5.914 3.646 -7.619 78 HB3 PRO 13 2HB PRO 13 7.281 2.578 -7.278 79 HG2 PRO 13 1HG PRO 13 6.568 3.988 -9.821 80 HG3 PRO 13 2HG PRO 13 8.155 3.801 -9.053 81 HD2 PRO 13 1HD PRO 13 7.356 2.270 -11.138 82 HD3 PRO 13 2HD PRO 13 8.437 1.663 -9.867 83 H LEU 14 H LEU 14 3.814 2.005 -6.785 84 HA LEU 14 HA LEU 14 2.009 3.263 -8.681 85 HB2 LEU 14 1HB LEU 14 1.472 0.613 -7.376 86 HB3 LEU 14 2HB LEU 14 0.167 1.664 -7.921 87 HG LEU 14 HG LEU 14 2.319 0.782 -9.813 88 HD11 LEU 14 1HD1 LEU 14 0.784 -1.036 -8.446 89 HD12 LEU 14 2HD1 LEU 14 1.532 -1.294 -10.022 90 HD13 LEU 14 3HD1 LEU 14 -0.147 -0.763 -9.919 91 HD21 LEU 14 1HD2 LEU 14 0.262 2.547 -10.066 92 HD22 LEU 14 2HD2 LEU 14 -0.469 1.060 -10.670 93 HD23 LEU 14 3HD2 LEU 14 1.013 1.675 -11.402 94 H THR 15 H THR 15 1.068 4.920 -7.703 95 HA THR 15 HA THR 15 1.209 5.183 -4.827 96 HB THR 15 HB THR 15 -0.071 7.096 -6.784 97 HG1 THR 15 1HG THR 15 2.608 6.580 -6.169 98 HG21 THR 15 1HG2 THR 15 -0.642 7.495 -4.445 99 HG22 THR 15 2HG2 THR 15 0.428 8.762 -5.045 100 HG23 THR 15 3HG2 THR 15 1.067 7.483 -4.013 101 H CYS 16 H CYS 16 -0.409 4.929 -3.406 102 HA CYS 16 HA CYS 16 -3.120 4.485 -4.470 103 HB2 CYS 16 1HB CYS 16 -3.444 2.871 -2.583 104 HB3 CYS 16 2HB CYS 16 -2.262 2.350 -3.777 105 HG CYS 16 HG CYS 16 -0.168 2.295 -2.225 106 H LYS 17 H LYS 17 -4.794 4.655 -2.632 107 HA LYS 17 HA LYS 17 -4.077 6.861 -0.821 108 HB2 LYS 17 1HB LYS 17 -5.292 7.925 -2.559 109 HB3 LYS 17 2HB LYS 17 -6.476 6.626 -2.629 110 HG2 LYS 17 1HG LYS 17 -7.607 8.341 -1.555 111 HG3 LYS 17 2HG LYS 17 -7.069 7.310 -0.226 112 HD2 LYS 17 1HD LYS 17 -6.424 9.342 0.590 113 HD3 LYS 17 2HD LYS 17 -4.968 8.921 -0.314 114 HE2 LYS 17 1HE LYS 17 -5.801 10.222 -2.225 115 HE3 LYS 17 2HE LYS 17 -7.232 10.660 -1.294 116 HZ1 LYS 17 1HZ LYS 17 -5.516 12.395 -1.282 117 HZ2 LYS 17 2HZ LYS 17 -4.443 11.330 -0.523 118 HZ3 LYS 17 3HZ LYS 17 -5.851 11.822 0.274 119 H VAL 18 H VAL 18 -4.149 5.965 1.142 120 HA VAL 18 HA VAL 18 -5.670 3.735 1.887 121 HB VAL 18 HB VAL 18 -4.598 5.922 3.676 122 HG11 VAL 18 1HG1 VAL 18 -6.133 3.535 4.215 123 HG12 VAL 18 2HG1 VAL 18 -4.563 3.485 5.020 124 HG13 VAL 18 3HG1 VAL 18 -5.659 4.838 5.305 125 HG21 VAL 18 1HG2 VAL 18 -3.190 3.351 3.493 126 HG22 VAL 18 2HG2 VAL 18 -3.132 4.337 2.032 127 HG23 VAL 18 3HG2 VAL 18 -2.552 4.994 3.562 128 H VAL 19 H VAL 19 -7.828 3.728 1.656 129 HA VAL 19 HA VAL 19 -9.407 6.064 2.356 130 HB VAL 19 HB VAL 19 -11.335 4.472 1.702 131 HG11 VAL 19 1HG1 VAL 19 -9.318 5.228 -0.409 132 HG12 VAL 19 2HG1 VAL 19 -11.055 5.001 -0.630 133 HG13 VAL 19 3HG1 VAL 19 -10.456 6.349 0.339 134 HG21 VAL 19 1HG2 VAL 19 -9.418 2.973 0.049 135 HG22 VAL 19 2HG2 VAL 19 -9.410 2.569 1.766 136 HG23 VAL 19 3HG2 VAL 19 -10.903 2.437 0.836 137 H TYR 20 H TYR 20 -8.568 2.959 3.669 138 HA TYR 20 HA TYR 20 -10.309 3.508 5.982 139 HB2 TYR 20 1HB TYR 20 -9.627 0.839 4.738 140 HB3 TYR 20 2HB TYR 20 -10.423 1.021 6.297 141 HD1 TYR 20 1HD TYR 20 -12.725 1.847 6.430 142 HD2 TYR 20 2HD TYR 20 -10.814 1.245 2.677 143 HE1 TYR 20 1HE TYR 20 -14.910 1.958 5.307 144 HE2 TYR 20 2HE TYR 20 -12.993 1.355 1.543 145 HH TYR 20 HH TYR 20 -15.943 1.199 3.214 146 H SER 21 H SER 21 -9.138 4.020 7.696 147 HA SER 21 HA SER 21 -6.371 3.731 7.915 148 HB2 SER 21 1HB SER 21 -6.632 4.404 10.234 149 HB3 SER 21 2HB SER 21 -7.748 5.335 9.234 150 HG SER 21 HG SER 21 -8.474 4.181 11.314 151 H TYR 22 H TYR 22 -5.061 2.338 9.123 152 HA TYR 22 HA TYR 22 -6.239 -0.022 10.335 153 HB2 TYR 22 1HB TYR 22 -6.101 -0.861 8.123 154 HB3 TYR 22 2HB TYR 22 -4.523 -0.127 7.858 155 HD1 TYR 22 1HD TYR 22 -2.504 -1.159 8.745 156 HD2 TYR 22 2HD TYR 22 -6.318 -2.946 9.342 157 HE1 TYR 22 1HE TYR 22 -1.409 -3.257 9.414 158 HE2 TYR 22 2HE TYR 22 -5.234 -5.049 10.014 159 HH TYR 22 HH TYR 22 -1.799 -5.533 9.684 160 H LYS 23 H LYS 23 -5.225 -0.254 12.202 161 HA LYS 23 HA LYS 23 -2.631 0.928 12.651 162 HB2 LYS 23 1HB LYS 23 -4.244 1.129 14.416 163 HB3 LYS 23 2HB LYS 23 -4.519 -0.608 14.437 164 HG2 LYS 23 1HG LYS 23 -3.158 -0.404 16.247 165 HG3 LYS 23 2HG LYS 23 -1.945 -0.669 14.992 166 HD2 LYS 23 1HD LYS 23 -2.047 1.960 14.816 167 HD3 LYS 23 2HD LYS 23 -2.645 1.821 16.471 168 HE2 LYS 23 1HE LYS 23 -0.601 0.289 16.838 169 HE3 LYS 23 2HE LYS 23 0.010 1.002 15.346 170 HZ1 LYS 23 1HZ LYS 23 0.706 2.722 16.526 171 HZ2 LYS 23 2HZ LYS 23 0.048 2.075 17.943 172 HZ3 LYS 23 3HZ LYS 23 -0.888 3.085 16.960 173 H ALA 24 H ALA 24 -0.786 -0.077 12.238 174 HA ALA 24 HA ALA 24 -0.597 -2.786 11.494 175 HB1 ALA 24 1HB ALA 24 1.551 -0.848 12.341 176 HB2 ALA 24 2HB ALA 24 1.850 -2.427 11.613 177 HB3 ALA 24 3HB ALA 24 1.008 -1.178 10.696 178 H SER 25 H SER 25 -0.541 -4.564 12.691 179 HA SER 25 HA SER 25 -0.338 -4.360 15.573 180 HB2 SER 25 1HB SER 25 -1.914 -5.901 14.106 181 HB3 SER 25 2HB SER 25 -0.530 -6.992 14.168 182 HG SER 25 HG SER 25 -2.346 -6.796 15.968 183 H GLN 26 H GLN 26 1.525 -5.656 12.887 184 HA GLN 26 HA GLN 26 3.614 -6.535 14.751 185 HB2 GLN 26 1HB GLN 26 2.872 -7.281 11.959 186 HB3 GLN 26 2HB GLN 26 4.553 -7.445 12.449 187 HG2 GLN 26 1HG GLN 26 3.959 -8.958 14.205 188 HG3 GLN 26 2HG GLN 26 2.241 -8.686 13.918 189 HE21 GLN 26 1HE2 GLN 26 3.964 -11.122 13.822 190 HE22 GLN 26 2HE2 GLN 26 3.654 -11.821 12.273 191 HA PRO 27 HA PRO 27 6.317 -3.229 13.745 192 HB2 PRO 27 1HB PRO 27 8.734 -4.461 13.850 193 HB3 PRO 27 2HB PRO 27 7.775 -4.103 15.291 194 HG2 PRO 27 1HG PRO 27 8.039 -6.675 13.781 195 HG3 PRO 27 2HG PRO 27 8.029 -6.402 15.533 196 HD2 PRO 27 1HD PRO 27 5.851 -7.277 14.183 197 HD3 PRO 27 2HD PRO 27 5.731 -6.245 15.623 198 H ASP 28 H ASP 28 6.506 -6.171 11.857 199 HA ASP 28 HA ASP 28 8.161 -5.049 9.796 200 HB2 ASP 28 1HB ASP 28 6.485 -7.566 9.871 201 HB3 ASP 28 2HB ASP 28 7.572 -7.133 8.554 202 H GLU 29 H GLU 29 4.887 -4.816 10.604 203 HA GLU 29 HA GLU 29 3.903 -4.456 7.913 204 HB2 GLU 29 1HB GLU 29 2.640 -4.066 10.626 205 HB3 GLU 29 2HB GLU 29 1.799 -3.734 9.118 206 HG2 GLU 29 1HG GLU 29 2.769 -6.369 10.166 207 HG3 GLU 29 2HG GLU 29 1.122 -5.881 9.773 208 H LEU 30 H LEU 30 2.451 -2.373 7.652 209 HA LEU 30 HA LEU 30 4.069 -0.047 8.460 210 HB2 LEU 30 1HB LEU 30 4.048 -0.922 5.965 211 HB3 LEU 30 2HB LEU 30 2.541 -0.009 5.908 212 HG LEU 30 HG LEU 30 4.545 1.220 5.069 213 HD11 LEU 30 1HD1 LEU 30 2.847 2.668 5.582 214 HD12 LEU 30 2HD1 LEU 30 4.096 3.235 6.690 215 HD13 LEU 30 3HD1 LEU 30 2.802 2.191 7.280 216 HD21 LEU 30 1HD2 LEU 30 5.970 0.192 6.996 217 HD22 LEU 30 2HD2 LEU 30 5.389 1.583 7.911 218 HD23 LEU 30 3HD2 LEU 30 6.307 1.826 6.424 219 H THR 31 H THR 31 2.921 1.097 9.867 220 HA THR 31 HA THR 31 0.131 0.965 10.179 221 HB THR 31 HB THR 31 1.969 3.193 11.076 222 HG1 THR 31 1HG THR 31 1.109 1.114 12.759 223 HG21 THR 31 1HG2 THR 31 -0.155 2.674 12.886 224 HG22 THR 31 2HG2 THR 31 -0.852 2.852 11.276 225 HG23 THR 31 3HG2 THR 31 0.152 4.136 11.950 226 H ILE 32 H ILE 32 -1.429 1.795 8.969 227 HA ILE 32 HA ILE 32 -0.846 4.212 7.384 228 HB ILE 32 HB ILE 32 -2.414 3.441 5.697 229 HG12 ILE 32 1HG1 ILE 32 -2.659 0.925 7.361 230 HG13 ILE 32 2HG1 ILE 32 -3.899 2.167 7.218 231 HG21 ILE 32 1HG2 ILE 32 -0.076 2.804 5.462 232 HG22 ILE 32 2HG2 ILE 32 -0.370 1.335 6.391 233 HG23 ILE 32 3HG2 ILE 32 -1.132 1.549 4.815 234 HD11 ILE 32 1HD1 ILE 32 -3.278 -0.041 5.465 235 HD12 ILE 32 2HD1 ILE 32 -4.716 0.977 5.539 236 HD13 ILE 32 3HD1 ILE 32 -3.316 1.496 4.601 237 H GLU 33 H GLU 33 -2.767 5.537 6.870 238 HA GLU 33 HA GLU 33 -5.024 5.257 8.687 239 HB2 GLU 33 1HB GLU 33 -2.948 7.377 8.888 240 HB3 GLU 33 2HB GLU 33 -4.622 7.866 9.107 241 HG2 GLU 33 1HG GLU 33 -4.896 6.474 10.979 242 HG3 GLU 33 2HG GLU 33 -3.412 5.588 10.636 243 H GLU 34 H GLU 34 -6.834 6.579 8.118 244 HA GLU 34 HA GLU 34 -7.428 6.706 5.438 245 HB2 GLU 34 1HB GLU 34 -9.047 6.894 7.352 246 HB3 GLU 34 2HB GLU 34 -8.564 8.576 7.520 247 HG2 GLU 34 1HG GLU 34 -9.339 9.024 5.246 248 HG3 GLU 34 2HG GLU 34 -9.834 7.340 5.088 249 H HIS 35 H HIS 35 -7.342 8.237 3.836 250 HA HIS 35 HA HIS 35 -6.584 10.030 2.657 251 HB2 HIS 35 1HB HIS 35 -6.401 11.404 5.346 252 HB3 HIS 35 2HB HIS 35 -6.430 12.188 3.769 253 HD1 HIS 35 1HD HIS 35 -8.772 11.357 2.359 254 HD2 HIS 35 2HD HIS 35 -8.823 11.534 6.509 255 HE1 HIS 35 1HE HIS 35 -11.200 11.506 2.996 256 HE2 HIS 35 2HE HIS 35 -11.202 11.698 5.507 257 H GLU 36 H GLU 36 -4.732 8.100 3.190 258 HA GLU 36 HA GLU 36 -2.278 9.684 3.545 259 HB2 GLU 36 1HB GLU 36 -2.774 8.180 5.505 260 HB3 GLU 36 2HB GLU 36 -2.596 6.811 4.417 261 HG2 GLU 36 1HG GLU 36 -0.303 7.301 4.042 262 HG3 GLU 36 2HG GLU 36 -0.438 8.852 4.868 263 H VAL 37 H VAL 37 -1.542 9.871 1.517 264 HA VAL 37 HA VAL 37 -1.835 7.761 -0.422 265 HB VAL 37 HB VAL 37 -0.294 10.354 -0.598 266 HG11 VAL 37 1HG1 VAL 37 -1.249 8.965 -3.023 267 HG12 VAL 37 2HG1 VAL 37 0.228 9.892 -2.751 268 HG13 VAL 37 3HG1 VAL 37 0.112 8.227 -2.180 269 HG21 VAL 37 1HG2 VAL 37 -2.616 10.825 -0.291 270 HG22 VAL 37 2HG2 VAL 37 -2.242 11.064 -1.998 271 HG23 VAL 37 3HG2 VAL 37 -3.077 9.602 -1.474 272 H LEU 38 H LEU 38 -0.518 6.082 -0.595 273 HA LEU 38 HA LEU 38 2.248 6.351 0.379 274 HB2 LEU 38 1HB LEU 38 0.726 3.782 0.023 275 HB3 LEU 38 2HB LEU 38 2.249 4.027 0.875 276 HG LEU 38 HG LEU 38 -0.301 5.302 1.821 277 HD11 LEU 38 1HD1 LEU 38 0.182 2.523 1.675 278 HD12 LEU 38 2HD1 LEU 38 -1.132 3.364 2.497 279 HD13 LEU 38 3HD1 LEU 38 0.361 3.002 3.363 280 HD21 LEU 38 1HD2 LEU 38 0.966 5.052 4.013 281 HD22 LEU 38 2HD2 LEU 38 1.585 6.239 2.864 282 HD23 LEU 38 3HD2 LEU 38 2.378 4.671 3.027 283 H GLU 39 H GLU 39 3.580 4.385 -0.719 284 HA GLU 39 HA GLU 39 3.076 4.466 -3.613 285 HB2 GLU 39 1HB GLU 39 4.828 6.151 -2.854 286 HB3 GLU 39 2HB GLU 39 5.832 4.772 -2.427 287 HG2 GLU 39 1HG GLU 39 5.949 4.050 -4.686 288 HG3 GLU 39 2HG GLU 39 4.713 5.206 -5.182 289 H VAL 40 H VAL 40 2.562 2.386 -3.970 290 HA VAL 40 HA VAL 40 3.785 0.205 -2.584 291 HB VAL 40 HB VAL 40 2.103 0.148 -5.094 292 HG11 VAL 40 1HG1 VAL 40 3.222 -1.952 -3.311 293 HG12 VAL 40 2HG1 VAL 40 1.610 -2.200 -3.985 294 HG13 VAL 40 3HG1 VAL 40 2.989 -1.958 -5.059 295 HG21 VAL 40 1HG2 VAL 40 0.595 1.018 -3.632 296 HG22 VAL 40 2HG2 VAL 40 0.426 -0.683 -3.198 297 HG23 VAL 40 3HG2 VAL 40 1.432 0.382 -2.216 298 H ILE 41 H ILE 41 5.845 -0.316 -2.932 299 HA ILE 41 HA ILE 41 6.974 -0.042 -5.618 300 HB ILE 41 HB ILE 41 9.154 -0.539 -4.468 301 HG12 ILE 41 1HG1 ILE 41 7.493 -0.170 -1.966 302 HG13 ILE 41 2HG1 ILE 41 8.169 -1.702 -2.510 303 HG21 ILE 41 1HG2 ILE 41 7.486 1.846 -3.741 304 HG22 ILE 41 2HG2 ILE 41 9.171 1.709 -3.245 305 HG23 ILE 41 3HG2 ILE 41 8.755 1.713 -4.958 306 HD11 ILE 41 1HD1 ILE 41 10.434 -0.547 -2.387 307 HD12 ILE 41 2HD1 ILE 41 9.604 0.712 -1.472 308 HD13 ILE 41 3HD1 ILE 41 9.636 -0.944 -0.866 309 H GLU 42 H GLU 42 6.288 -2.440 -3.142 310 HA GLU 42 HA GLU 42 6.973 -4.543 -5.088 311 HB2 GLU 42 1HB GLU 42 7.503 -4.413 -2.134 312 HB3 GLU 42 2HB GLU 42 7.375 -5.960 -2.958 313 HG2 GLU 42 1HG GLU 42 9.316 -3.774 -3.672 314 HG3 GLU 42 2HG GLU 42 9.695 -5.200 -2.708 315 H ASP 43 H ASP 43 5.874 -6.685 -4.436 316 HA ASP 43 HA ASP 43 3.041 -6.087 -4.019 317 HB2 ASP 43 1HB ASP 43 2.954 -8.642 -4.736 318 HB3 ASP 43 2HB ASP 43 3.125 -7.357 -5.928 319 H GLY 44 H GLY 44 4.770 -6.055 -1.752 320 HA2 GLY 44 1HA GLY 44 4.981 -6.930 0.365 321 HA3 GLY 44 2HA GLY 44 3.307 -7.412 0.136 322 H ASP 45 H ASP 45 4.250 -9.112 1.675 323 HA ASP 45 HA ASP 45 5.630 -11.245 0.215 324 HB2 ASP 45 1HB ASP 45 6.553 -10.573 2.406 325 HB3 ASP 45 2HB ASP 45 5.026 -11.007 3.171 326 H MET 46 H MET 46 2.627 -10.501 1.866 327 HA MET 46 HA MET 46 1.616 -13.201 1.436 328 HB2 MET 46 1HB MET 46 1.231 -11.609 3.517 329 HB3 MET 46 2HB MET 46 -0.088 -11.005 2.522 330 HG2 MET 46 1HG MET 46 -1.169 -12.625 3.700 331 HG3 MET 46 2HG MET 46 -0.662 -13.548 2.287 332 HE1 MET 46 1HE MET 46 1.617 -12.632 5.712 333 HE2 MET 46 2HE MET 46 -0.141 -12.525 5.804 334 HE3 MET 46 3HE MET 46 0.704 -13.860 6.589 335 H GLU 47 H GLU 47 -0.479 -13.528 0.395 336 HA GLU 47 HA GLU 47 -0.583 -12.428 -2.174 337 HB2 GLU 47 1HB GLU 47 -2.563 -13.995 -0.540 338 HB3 GLU 47 2HB GLU 47 -2.961 -13.428 -2.156 339 HG2 GLU 47 1HG GLU 47 -0.543 -15.107 -1.563 340 HG3 GLU 47 2HG GLU 47 -2.113 -15.788 -1.985 341 H ASP 48 H ASP 48 -2.833 -11.894 0.543 342 HA ASP 48 HA ASP 48 -3.950 -9.576 -0.806 343 HB2 ASP 48 1HB ASP 48 -4.680 -10.417 1.981 344 HB3 ASP 48 2HB ASP 48 -5.683 -9.646 0.755 345 H TRP 49 H TRP 49 -1.292 -9.175 -0.260 346 HA TRP 49 HA TRP 49 -1.437 -6.866 1.476 347 HB2 TRP 49 1HB TRP 49 0.471 -9.137 2.077 348 HB3 TRP 49 2HB TRP 49 0.527 -7.546 2.830 349 HD1 TRP 49 HD TRP 49 -2.018 -10.463 2.491 350 HE1 TRP 49 1HE TRP 49 -3.346 -10.608 4.691 351 HE3 TRP 49 3HE TRP 49 0.022 -6.463 4.935 352 HZ2 TRP 49 2HZ TRP 49 -3.508 -9.210 7.139 353 HZ3 TRP 49 3HZ TRP 49 -0.775 -5.934 7.202 354 HH2 TRP 49 HH TRP 49 -2.504 -7.280 8.279 355 H VAL 50 H VAL 50 0.060 -5.305 0.968 356 HA VAL 50 HA VAL 50 2.086 -5.980 -1.052 357 HB VAL 50 HB VAL 50 1.606 -3.909 -2.271 358 HG11 VAL 50 1HG1 VAL 50 0.294 -6.247 -2.489 359 HG12 VAL 50 2HG1 VAL 50 -1.067 -5.156 -2.219 360 HG13 VAL 50 3HG1 VAL 50 0.033 -4.878 -3.570 361 HG21 VAL 50 1HG2 VAL 50 0.110 -2.340 -1.633 362 HG22 VAL 50 2HG2 VAL 50 -1.017 -3.526 -0.974 363 HG23 VAL 50 3HG2 VAL 50 0.392 -3.031 -0.035 364 H LYS 51 H LYS 51 3.802 -4.360 -1.241 365 HA LYS 51 HA LYS 51 4.386 -3.174 1.376 366 HB2 LYS 51 1HB LYS 51 5.946 -4.816 0.041 367 HB3 LYS 51 2HB LYS 51 6.394 -3.358 -0.836 368 HG2 LYS 51 1HG LYS 51 7.105 -2.304 1.230 369 HG3 LYS 51 2HG LYS 51 6.597 -3.724 2.147 370 HD2 LYS 51 1HD LYS 51 8.218 -4.934 0.420 371 HD3 LYS 51 2HD LYS 51 8.960 -3.332 0.391 372 HE2 LYS 51 1HE LYS 51 10.120 -4.237 2.130 373 HE3 LYS 51 2HE LYS 51 8.739 -3.596 3.020 374 HZ1 LYS 51 1HZ LYS 51 7.898 -5.659 3.389 375 HZ2 LYS 51 2HZ LYS 51 9.539 -6.065 3.319 376 HZ3 LYS 51 3HZ LYS 51 8.547 -6.321 1.973 377 H ALA 52 H ALA 52 4.419 -1.040 1.672 378 HA ALA 52 HA ALA 52 4.778 0.732 -0.630 379 HB1 ALA 52 1HB ALA 52 2.887 2.135 0.068 380 HB2 ALA 52 2HB ALA 52 2.373 0.512 -0.394 381 HB3 ALA 52 3HB ALA 52 2.481 0.951 1.311 382 H ARG 53 H ARG 53 5.735 2.691 -0.162 383 HA ARG 53 HA ARG 53 6.765 2.953 2.581 384 HB2 ARG 53 1HB ARG 53 8.541 2.691 0.985 385 HB3 ARG 53 2HB ARG 53 7.856 3.930 -0.059 386 HG2 ARG 53 1HG ARG 53 8.197 5.446 2.057 387 HG3 ARG 53 2HG ARG 53 9.390 4.214 2.471 388 HD2 ARG 53 1HD ARG 53 10.748 4.741 0.707 389 HD3 ARG 53 2HD ARG 53 9.411 5.313 -0.290 390 HE ARG 53 HE ARG 53 9.534 7.151 1.690 391 HH11 ARG 53 2HH1 ARG 53 11.901 5.825 -0.492 392 HH12 ARG 53 1HH1 ARG 53 12.861 7.266 -0.533 393 HH21 ARG 53 2HH2 ARG 53 10.790 9.054 1.644 394 HH22 ARG 53 1HH2 ARG 53 12.229 9.102 0.683 395 H ASN 54 H ASN 54 6.384 4.750 3.754 396 HA ASN 54 HA ASN 54 4.495 6.676 2.664 397 HB2 ASN 54 1HB ASN 54 4.738 7.519 5.168 398 HB3 ASN 54 2HB ASN 54 3.752 6.116 4.765 399 HD21 ASN 54 1HD2 ASN 54 4.097 5.573 7.021 400 HD22 ASN 54 2HD2 ASN 54 5.536 4.730 7.472 401 H LYS 55 H LYS 55 4.943 8.980 3.881 402 HA LYS 55 HA LYS 55 7.013 10.172 2.419 403 HB2 LYS 55 1HB LYS 55 6.566 12.179 3.765 404 HB3 LYS 55 2HB LYS 55 5.077 11.432 3.202 405 HG2 LYS 55 1HG LYS 55 5.224 10.236 5.561 406 HG3 LYS 55 2HG LYS 55 6.158 11.682 5.949 407 HD2 LYS 55 1HD LYS 55 3.505 11.901 4.573 408 HD3 LYS 55 2HD LYS 55 3.596 11.699 6.325 409 HE2 LYS 55 1HE LYS 55 4.564 13.756 6.647 410 HE3 LYS 55 2HE LYS 55 5.275 13.794 5.034 411 HZ1 LYS 55 1HZ LYS 55 2.693 14.713 5.926 412 HZ2 LYS 55 2HZ LYS 55 2.634 13.800 4.504 413 HZ3 LYS 55 3HZ LYS 55 3.604 15.184 4.580 414 H VAL 56 H VAL 56 6.888 8.988 5.733 415 HA VAL 56 HA VAL 56 9.367 10.060 6.578 416 HB VAL 56 HB VAL 56 9.261 8.308 8.364 417 HG11 VAL 56 1HG1 VAL 56 6.961 9.161 9.235 418 HG12 VAL 56 2HG1 VAL 56 8.291 10.300 9.018 419 HG13 VAL 56 3HG1 VAL 56 7.012 10.195 7.808 420 HG21 VAL 56 1HG2 VAL 56 7.458 7.111 6.515 421 HG22 VAL 56 2HG2 VAL 56 8.048 6.475 8.050 422 HG23 VAL 56 3HG2 VAL 56 6.585 7.458 8.007 423 H GLY 57 H GLY 57 8.495 7.234 4.745 424 HA2 GLY 57 1HA GLY 57 10.179 6.271 3.290 425 HA3 GLY 57 2HA GLY 57 11.360 6.554 4.560 426 H GLN 58 H GLN 58 8.890 5.552 6.306 427 HA GLN 58 HA GLN 58 9.935 3.026 6.871 428 HB2 GLN 58 1HB GLN 58 7.416 4.463 7.535 429 HB3 GLN 58 2HB GLN 58 7.456 2.727 7.810 430 HG2 GLN 58 1HG GLN 58 9.424 2.997 9.230 431 HG3 GLN 58 2HG GLN 58 9.380 4.738 8.957 432 HE21 GLN 58 1HE2 GLN 58 6.953 5.547 9.312 433 HE22 GLN 58 2HE2 GLN 58 6.311 5.109 10.855 434 H VAL 59 H VAL 59 9.726 1.092 5.948 435 HA VAL 59 HA VAL 59 7.665 0.768 3.865 436 HB VAL 59 HB VAL 59 10.306 -0.686 4.029 437 HG11 VAL 59 1HG1 VAL 59 8.671 -0.473 1.554 438 HG12 VAL 59 2HG1 VAL 59 9.753 -1.761 2.089 439 HG13 VAL 59 3HG1 VAL 59 8.150 -1.598 2.808 440 HG21 VAL 59 1HG2 VAL 59 10.859 1.563 3.571 441 HG22 VAL 59 2HG2 VAL 59 10.857 0.744 2.008 442 HG23 VAL 59 3HG2 VAL 59 9.490 1.757 2.475 443 H GLY 60 H GLY 60 6.147 -0.707 4.236 444 HA2 GLY 60 1HA GLY 60 6.784 -3.136 5.708 445 HA3 GLY 60 2HA GLY 60 5.603 -2.074 6.461 446 H TYR 61 H TYR 61 4.487 -4.303 6.114 447 HA TYR 61 HA TYR 61 3.321 -4.490 3.435 448 HB2 TYR 61 1HB TYR 61 3.112 -6.378 5.789 449 HB3 TYR 61 2HB TYR 61 2.448 -6.667 4.185 450 HD1 TYR 61 2HD TYR 61 4.466 -6.062 2.315 451 HD2 TYR 61 1HD TYR 61 4.936 -7.718 6.206 452 HE1 TYR 61 2HE TYR 61 6.590 -7.087 1.617 453 HE2 TYR 61 1HE TYR 61 7.061 -8.747 5.519 454 HH TYR 61 HH TYR 61 8.600 -8.894 3.910 455 H VAL 62 H VAL 62 1.225 -4.071 3.005 456 HA VAL 62 HA VAL 62 -0.614 -3.580 5.235 457 HB VAL 62 HB VAL 62 -1.429 -1.513 4.269 458 HG11 VAL 62 1HG1 VAL 62 0.255 -0.132 5.027 459 HG12 VAL 62 2HG1 VAL 62 0.696 -1.669 5.773 460 HG13 VAL 62 3HG1 VAL 62 1.531 -1.121 4.319 461 HG21 VAL 62 1HG2 VAL 62 -0.167 -0.455 2.385 462 HG22 VAL 62 2HG2 VAL 62 0.658 -1.996 2.149 463 HG23 VAL 62 3HG2 VAL 62 -1.089 -1.890 1.935 464 HA PRO 63 HA PRO 63 -3.472 -5.819 2.754 465 HB2 PRO 63 1HB PRO 63 -5.806 -4.849 3.745 466 HB3 PRO 63 2HB PRO 63 -4.774 -5.970 4.641 467 HG2 PRO 63 1HG PRO 63 -4.998 -2.995 4.884 468 HG3 PRO 63 2HG PRO 63 -4.886 -4.217 6.164 469 HD2 PRO 63 1HD PRO 63 -2.759 -2.744 5.368 470 HD3 PRO 63 2HD PRO 63 -2.600 -4.412 5.952 471 H GLU 64 H GLU 64 -4.116 -5.537 0.716 472 HA GLU 64 HA GLU 64 -4.317 -2.929 -0.432 473 HB2 GLU 64 1HB GLU 64 -3.450 -4.948 -1.632 474 HB3 GLU 64 2HB GLU 64 -5.092 -5.574 -1.669 475 HG2 GLU 64 1HG GLU 64 -4.579 -2.860 -2.766 476 HG3 GLU 64 2HG GLU 64 -4.079 -4.267 -3.704 477 H LYS 65 H LYS 65 -6.587 -5.315 0.726 478 HA LYS 65 HA LYS 65 -8.933 -4.541 -0.498 479 HB2 LYS 65 1HB LYS 65 -10.098 -5.430 1.466 480 HB3 LYS 65 2HB LYS 65 -8.773 -6.481 0.983 481 HG2 LYS 65 1HG LYS 65 -7.557 -6.047 2.858 482 HG3 LYS 65 2HG LYS 65 -8.225 -4.424 3.050 483 HD2 LYS 65 1HD LYS 65 -9.292 -5.472 4.774 484 HD3 LYS 65 2HD LYS 65 -10.452 -5.795 3.484 485 HE2 LYS 65 1HE LYS 65 -9.879 -7.777 4.899 486 HE3 LYS 65 2HE LYS 65 -9.604 -8.000 3.172 487 HZ1 LYS 65 1HZ LYS 65 -7.350 -7.020 4.731 488 HZ2 LYS 65 2HZ LYS 65 -7.382 -8.122 3.448 489 HZ3 LYS 65 3HZ LYS 65 -7.808 -8.625 5.006 490 H TYR 66 H TYR 66 -6.998 -2.752 1.664 491 HA TYR 66 HA TYR 66 -9.191 -0.852 2.160 492 HB2 TYR 66 1HB TYR 66 -6.633 -1.379 3.672 493 HB3 TYR 66 2HB TYR 66 -7.632 0.043 3.958 494 HD1 TYR 66 1HD TYR 66 -10.345 -1.069 3.794 495 HD2 TYR 66 2HD TYR 66 -6.839 -2.674 5.593 496 HE1 TYR 66 1HE TYR 66 -11.743 -2.361 5.351 497 HE2 TYR 66 2HE TYR 66 -8.228 -3.972 7.154 498 HH TYR 66 HH TYR 66 -11.662 -3.490 7.395 499 H LEU 67 H LEU 67 -6.395 -1.356 0.358 500 HA LEU 67 HA LEU 67 -5.614 1.425 0.170 501 HB2 LEU 67 1HB LEU 67 -4.683 -1.101 -1.159 502 HB3 LEU 67 2HB LEU 67 -4.107 0.484 -1.669 503 HG LEU 67 HG LEU 67 -3.730 -0.765 1.053 504 HD11 LEU 67 1HD1 LEU 67 -1.294 -0.551 0.318 505 HD12 LEU 67 2HD1 LEU 67 -1.932 -0.366 -1.315 506 HD13 LEU 67 3HD1 LEU 67 -2.253 -1.842 -0.405 507 HD21 LEU 67 1HD2 LEU 67 -3.404 1.984 0.047 508 HD22 LEU 67 2HD2 LEU 67 -2.048 1.342 0.975 509 HD23 LEU 67 3HD2 LEU 67 -3.660 1.395 1.690 510 H GLN 68 H GLN 68 -5.834 2.741 -1.642 511 HA GLN 68 HA GLN 68 -7.930 1.889 -3.524 512 HB2 GLN 68 1HB GLN 68 -8.503 3.813 -2.069 513 HB3 GLN 68 2HB GLN 68 -7.139 4.699 -2.739 514 HG2 GLN 68 1HG GLN 68 -9.169 3.609 -4.612 515 HG3 GLN 68 2HG GLN 68 -9.584 5.026 -3.649 516 HE21 GLN 68 1HE2 GLN 68 -8.055 6.846 -3.755 517 HE22 GLN 68 2HE2 GLN 68 -7.270 7.168 -5.260 518 H PHE 69 H PHE 69 -6.453 0.887 -4.953 519 HA PHE 69 HA PHE 69 -4.208 2.230 -6.047 520 HB2 PHE 69 1HB PHE 69 -5.767 -0.218 -6.824 521 HB3 PHE 69 2HB PHE 69 -4.502 0.408 -7.876 522 HD1 PHE 69 1HD PHE 69 -4.858 -0.126 -4.197 523 HD2 PHE 69 2HD PHE 69 -2.555 -0.779 -7.717 524 HE1 PHE 69 1HE PHE 69 -3.167 -1.320 -2.865 525 HE2 PHE 69 2HE PHE 69 -0.862 -1.974 -6.391 526 HZ PHE 69 HZ PHE 69 -1.167 -2.247 -3.963 527 HA PRO 70 HA PRO 70 -5.941 4.785 -9.164 528 HB2 PRO 70 1HB PRO 70 -4.085 4.578 -11.135 529 HB3 PRO 70 2HB PRO 70 -3.800 5.470 -9.636 530 HG2 PRO 70 1HG PRO 70 -2.939 2.703 -10.386 531 HG3 PRO 70 2HG PRO 70 -2.019 3.976 -9.564 532 HD2 PRO 70 1HD PRO 70 -3.166 1.917 -8.232 533 HD3 PRO 70 2HD PRO 70 -2.991 3.534 -7.521 534 H THR 71 H THR 71 -6.481 4.817 -11.572 535 HA THR 71 HA THR 71 -7.859 2.347 -12.203 536 HB THR 71 HB THR 71 -8.791 3.663 -14.126 537 HG1 THR 71 1HG THR 71 -6.896 5.165 -14.072 538 HG21 THR 71 1HG2 THR 71 -10.312 3.761 -12.443 539 HG22 THR 71 2HG2 THR 71 -9.832 5.458 -12.415 540 HG23 THR 71 3HG2 THR 71 -9.129 4.323 -11.263 541 H SER 72 H SER 72 -4.956 3.934 -13.088 542 HA SER 72 HA SER 72 -4.048 1.791 -14.671 543 HB2 SER 72 1HB SER 72 -5.766 3.132 -16.174 544 HB3 SER 72 2HB SER 72 -4.384 4.205 -16.403 545 HG SER 72 HG SER 72 -3.999 2.774 -17.934 546 H SER 73 H SER 73 -1.864 1.988 -15.228 547 HA SER 73 HA SER 73 -0.500 4.197 -13.874 548 HB2 SER 73 1HB SER 73 1.458 2.786 -13.845 549 HB3 SER 73 2HB SER 73 0.083 1.828 -13.295 550 HG SER 73 HG SER 73 0.504 0.516 -14.865 551 H GLY 74 H GLY 74 -0.506 2.455 -16.969 552 HA2 GLY 74 1HA GLY 74 1.288 4.423 -18.146 553 HA3 GLY 74 2HA GLY 74 0.663 2.979 -18.930 554 HA PRO 75 HA PRO 75 -1.536 6.552 -20.818 555 HB2 PRO 75 1HB PRO 75 -1.513 5.515 -23.327 556 HB3 PRO 75 2HB PRO 75 -0.167 6.445 -22.660 557 HG2 PRO 75 1HG PRO 75 -0.489 3.478 -22.891 558 HG3 PRO 75 2HG PRO 75 0.938 4.477 -23.221 559 HD2 PRO 75 1HD PRO 75 0.639 3.080 -20.921 560 HD3 PRO 75 2HD PRO 75 1.504 4.629 -20.991 561 H SER 76 H SER 76 -3.688 6.688 -21.297 562 HA SER 76 HA SER 76 -5.196 4.159 -21.260 563 HB2 SER 76 1HB SER 76 -7.094 5.513 -20.398 564 HB3 SER 76 2HB SER 76 -5.689 5.563 -19.334 565 HG SER 76 HG SER 76 -6.328 7.541 -21.268 566 H SER 77 H SER 77 -6.931 3.871 -22.678 567 HA SER 77 HA SER 77 -6.615 4.677 -25.285 568 HB2 SER 77 1HB SER 77 -8.039 2.802 -24.718 569 HB3 SER 77 2HB SER 77 -9.163 3.863 -23.868 570 HG SER 77 HG SER 77 -8.565 4.019 -26.639 571 H GLY 78 H GLY 78 -7.449 6.274 -26.599 572 HA2 GLY 78 1HA GLY 78 -9.418 8.045 -26.367 573 HA3 GLY 78 2HA GLY 78 -8.273 8.698 -25.205 Start of MODEL 13 1 H1 GLY 1 H GLY 1 0.148 -16.107 -25.267 2 HA2 GLY 1 1HA GLY 1 -0.906 -18.687 -24.771 3 HA3 GLY 1 2HA GLY 1 0.630 -18.335 -25.549 4 H SER 2 H SER 2 -0.936 -18.586 -22.381 5 HA SER 2 HA SER 2 -0.060 -18.970 -20.294 6 HB2 SER 2 1HB SER 2 -0.086 -21.215 -21.479 7 HB3 SER 2 2HB SER 2 1.640 -20.990 -21.763 8 HG SER 2 HG SER 2 0.576 -22.034 -19.658 9 H SER 3 H SER 3 1.128 -16.749 -21.200 10 HA SER 3 HA SER 3 3.972 -17.114 -20.518 11 HB2 SER 3 1HB SER 3 2.663 -15.153 -22.404 12 HB3 SER 3 2HB SER 3 4.309 -14.944 -21.808 13 HG SER 3 HG SER 3 4.230 -17.394 -22.641 14 H GLY 4 H GLY 4 3.379 -16.905 -18.275 15 HA2 GLY 4 1HA GLY 4 3.996 -14.792 -16.885 16 HA3 GLY 4 2HA GLY 4 2.430 -14.247 -17.466 17 H SER 5 H SER 5 1.841 -14.092 -15.211 18 HA SER 5 HA SER 5 1.250 -16.709 -13.993 19 HB2 SER 5 1HB SER 5 1.155 -15.463 -11.826 20 HB3 SER 5 2HB SER 5 2.745 -15.428 -12.589 21 HG SER 5 HG SER 5 0.937 -13.364 -13.147 22 H SER 6 H SER 6 -0.804 -17.177 -13.349 23 HA SER 6 HA SER 6 -2.940 -15.820 -14.603 24 HB2 SER 6 1HB SER 6 -2.802 -18.287 -13.859 25 HB3 SER 6 2HB SER 6 -3.290 -17.695 -12.271 26 HG SER 6 HG SER 6 -4.711 -17.429 -14.712 27 H GLY 7 H GLY 7 -4.579 -14.532 -13.764 28 HA2 GLY 7 1HA GLY 7 -5.623 -13.638 -11.682 29 HA3 GLY 7 2HA GLY 7 -3.983 -13.340 -11.125 30 H THR 8 H THR 8 -3.297 -11.324 -11.323 31 HA THR 8 HA THR 8 -4.140 -9.731 -13.627 32 HB THR 8 HB THR 8 -4.644 -7.778 -12.213 33 HG1 THR 8 1HG THR 8 -3.862 -9.558 -10.216 34 HG21 THR 8 1HG2 THR 8 -6.640 -8.741 -12.766 35 HG22 THR 8 2HG2 THR 8 -6.711 -8.948 -11.016 36 HG23 THR 8 3HG2 THR 8 -6.217 -10.293 -12.044 37 H LEU 9 H LEU 9 -2.675 -8.173 -14.263 38 HA LEU 9 HA LEU 9 -0.012 -8.441 -13.115 39 HB2 LEU 9 1HB LEU 9 -0.918 -6.941 -15.568 40 HB3 LEU 9 2HB LEU 9 0.751 -7.250 -15.093 41 HG LEU 9 HG LEU 9 0.031 -9.758 -15.280 42 HD11 LEU 9 1HD1 LEU 9 -2.252 -8.320 -16.393 43 HD12 LEU 9 2HD1 LEU 9 -2.115 -9.993 -15.853 44 HD13 LEU 9 3HD1 LEU 9 -1.586 -9.545 -17.474 45 HD21 LEU 9 1HD2 LEU 9 0.242 -8.475 -17.942 46 HD22 LEU 9 2HD2 LEU 9 1.159 -9.813 -17.249 47 HD23 LEU 9 3HD2 LEU 9 1.533 -8.153 -16.784 48 H ARG 10 H ARG 10 1.325 -6.509 -12.779 49 HA ARG 10 HA ARG 10 -0.220 -4.118 -12.057 50 HB2 ARG 10 1HB ARG 10 1.789 -5.561 -10.324 51 HB3 ARG 10 2HB ARG 10 1.245 -3.918 -10.012 52 HG2 ARG 10 1HG ARG 10 -0.808 -6.041 -10.329 53 HG3 ARG 10 2HG ARG 10 0.131 -5.990 -8.836 54 HD2 ARG 10 1HD ARG 10 -0.625 -3.820 -8.316 55 HD3 ARG 10 2HD ARG 10 -1.245 -3.561 -9.946 56 HE ARG 10 HE ARG 10 -2.577 -4.889 -7.776 57 HH11 ARG 10 2HH1 ARG 10 -2.349 -4.593 -11.237 58 HH12 ARG 10 1HH1 ARG 10 -3.967 -5.144 -11.522 59 HH21 ARG 10 2HH2 ARG 10 -4.709 -5.617 -8.137 60 HH22 ARG 10 1HH2 ARG 10 -5.308 -5.725 -9.758 61 H ASN 11 H ASN 11 0.871 -2.163 -12.237 62 HA ASN 11 HA ASN 11 3.466 -2.317 -13.624 63 HB2 ASN 11 1HB ASN 11 1.613 -1.453 -15.019 64 HB3 ASN 11 2HB ASN 11 1.350 -0.165 -13.848 65 HD21 ASN 11 1HD2 ASN 11 2.593 -0.733 -16.749 66 HD22 ASN 11 2HD2 ASN 11 3.863 0.439 -16.794 67 H TYR 12 H TYR 12 4.239 -2.397 -11.304 68 HA TYR 12 HA TYR 12 4.041 -0.085 -9.669 69 HB2 TYR 12 1HB TYR 12 6.122 -2.279 -9.625 70 HB3 TYR 12 2HB TYR 12 5.821 -1.119 -8.337 71 HD1 TYR 12 2HD TYR 12 2.904 -1.082 -8.172 72 HD2 TYR 12 1HD TYR 12 5.548 -4.361 -8.773 73 HE1 TYR 12 2HE TYR 12 1.235 -2.600 -7.191 74 HE2 TYR 12 1HE TYR 12 3.886 -5.888 -7.795 75 HH TYR 12 HH TYR 12 0.646 -4.864 -7.082 76 HA PRO 13 HA PRO 13 5.480 0.822 -8.053 77 HB2 PRO 13 1HB PRO 13 5.583 3.514 -7.718 78 HB3 PRO 13 2HB PRO 13 6.990 2.465 -7.505 79 HG2 PRO 13 1HG PRO 13 6.218 4.143 -9.861 80 HG3 PRO 13 2HG PRO 13 7.813 3.924 -9.117 81 HD2 PRO 13 1HD PRO 13 7.067 2.627 -11.373 82 HD3 PRO 13 2HD PRO 13 8.173 1.912 -10.182 83 H LEU 14 H LEU 14 3.580 1.840 -7.066 84 HA LEU 14 HA LEU 14 1.693 3.080 -8.912 85 HB2 LEU 14 1HB LEU 14 1.286 0.452 -7.527 86 HB3 LEU 14 2HB LEU 14 -0.080 1.468 -7.983 87 HG LEU 14 HG LEU 14 1.963 0.441 -9.946 88 HD11 LEU 14 1HD1 LEU 14 0.633 -1.384 -10.423 89 HD12 LEU 14 2HD1 LEU 14 -0.795 -0.673 -9.673 90 HD13 LEU 14 3HD1 LEU 14 0.513 -1.292 -8.666 91 HD21 LEU 14 1HD2 LEU 14 0.733 1.416 -11.576 92 HD22 LEU 14 2HD2 LEU 14 0.297 2.510 -10.263 93 HD23 LEU 14 3HD2 LEU 14 -0.790 1.195 -10.714 94 H THR 15 H THR 15 0.821 4.777 -7.943 95 HA THR 15 HA THR 15 1.073 5.140 -5.094 96 HB THR 15 HB THR 15 -0.371 6.947 -7.035 97 HG1 THR 15 1HG THR 15 2.348 6.487 -6.620 98 HG21 THR 15 1HG2 THR 15 0.295 8.687 -5.381 99 HG22 THR 15 2HG2 THR 15 0.898 7.402 -4.333 100 HG23 THR 15 3HG2 THR 15 -0.819 7.485 -4.730 101 H CYS 16 H CYS 16 -0.432 4.780 -3.591 102 HA CYS 16 HA CYS 16 -3.183 4.229 -4.491 103 HB2 CYS 16 1HB CYS 16 -3.330 2.774 -2.427 104 HB3 CYS 16 2HB CYS 16 -2.267 2.180 -3.697 105 HG CYS 16 HG CYS 16 0.054 2.546 -2.429 106 H LYS 17 H LYS 17 -4.799 4.484 -2.632 107 HA LYS 17 HA LYS 17 -4.097 6.802 -0.962 108 HB2 LYS 17 1HB LYS 17 -5.357 7.626 -2.879 109 HB3 LYS 17 2HB LYS 17 -6.628 6.448 -2.579 110 HG2 LYS 17 1HG LYS 17 -7.571 8.277 -1.619 111 HG3 LYS 17 2HG LYS 17 -6.694 7.640 -0.225 112 HD2 LYS 17 1HD LYS 17 -5.097 9.290 -0.305 113 HD3 LYS 17 2HD LYS 17 -5.308 9.558 -2.037 114 HE2 LYS 17 1HE LYS 17 -6.189 11.464 -0.927 115 HE3 LYS 17 2HE LYS 17 -7.564 10.526 -1.508 116 HZ1 LYS 17 1HZ LYS 17 -8.327 10.520 0.556 117 HZ2 LYS 17 2HZ LYS 17 -6.939 11.294 1.134 118 HZ3 LYS 17 3HZ LYS 17 -6.989 9.606 1.043 119 H VAL 18 H VAL 18 -4.169 6.045 1.054 120 HA VAL 18 HA VAL 18 -5.666 3.830 1.918 121 HB VAL 18 HB VAL 18 -4.511 6.098 3.546 122 HG11 VAL 18 1HG1 VAL 18 -5.744 5.217 5.197 123 HG12 VAL 18 2HG1 VAL 18 -6.076 3.739 4.291 124 HG13 VAL 18 3HG1 VAL 18 -4.559 3.911 5.176 125 HG21 VAL 18 1HG2 VAL 18 -3.373 3.725 2.274 126 HG22 VAL 18 2HG2 VAL 18 -2.581 5.187 2.861 127 HG23 VAL 18 3HG2 VAL 18 -2.969 3.882 3.983 128 H VAL 19 H VAL 19 -7.826 3.798 1.759 129 HA VAL 19 HA VAL 19 -9.369 6.177 2.475 130 HB VAL 19 HB VAL 19 -11.316 4.651 1.694 131 HG11 VAL 19 1HG1 VAL 19 -9.931 6.588 0.487 132 HG12 VAL 19 2HG1 VAL 19 -9.542 5.252 -0.598 133 HG13 VAL 19 3HG1 VAL 19 -11.225 5.700 -0.316 134 HG21 VAL 19 1HG2 VAL 19 -10.868 2.749 0.498 135 HG22 VAL 19 2HG2 VAL 19 -9.242 3.273 0.062 136 HG23 VAL 19 3HG2 VAL 19 -9.569 2.678 1.689 137 H TYR 20 H TYR 20 -8.531 3.047 3.664 138 HA TYR 20 HA TYR 20 -10.412 3.411 5.904 139 HB2 TYR 20 1HB TYR 20 -9.608 0.937 4.412 140 HB3 TYR 20 2HB TYR 20 -10.106 0.821 6.096 141 HD1 TYR 20 2HD TYR 20 -11.293 2.496 2.965 142 HD2 TYR 20 1HD TYR 20 -12.315 0.290 6.457 143 HE1 TYR 20 2HE TYR 20 -13.649 2.483 2.260 144 HE2 TYR 20 1HE TYR 20 -14.674 0.270 5.761 145 HH TYR 20 HH TYR 20 -15.773 0.629 2.978 146 H SER 21 H SER 21 -9.253 4.157 7.560 147 HA SER 21 HA SER 21 -6.518 3.920 7.948 148 HB2 SER 21 1HB SER 21 -6.882 4.730 10.174 149 HB3 SER 21 2HB SER 21 -8.095 5.492 9.145 150 HG SER 21 HG SER 21 -8.832 4.546 11.211 151 H TYR 22 H TYR 22 -5.208 2.560 9.140 152 HA TYR 22 HA TYR 22 -6.370 0.226 10.430 153 HB2 TYR 22 1HB TYR 22 -6.136 -0.559 8.153 154 HB3 TYR 22 2HB TYR 22 -4.476 0.022 8.082 155 HD1 TYR 22 1HD TYR 22 -2.683 -1.191 9.190 156 HD2 TYR 22 2HD TYR 22 -6.695 -2.598 9.347 157 HE1 TYR 22 1HE TYR 22 -1.879 -3.376 9.983 158 HE2 TYR 22 2HE TYR 22 -5.903 -4.786 10.142 159 HH TYR 22 HH TYR 22 -2.920 -5.879 9.848 160 H LYS 23 H LYS 23 -5.357 -0.059 12.292 161 HA LYS 23 HA LYS 23 -2.787 1.213 12.755 162 HB2 LYS 23 1HB LYS 23 -4.907 0.005 14.478 163 HB3 LYS 23 2HB LYS 23 -3.275 0.136 15.120 164 HG2 LYS 23 1HG LYS 23 -4.683 2.498 13.927 165 HG3 LYS 23 2HG LYS 23 -4.914 2.029 15.614 166 HD2 LYS 23 1HD LYS 23 -2.130 2.279 14.598 167 HD3 LYS 23 2HD LYS 23 -3.044 3.761 14.886 168 HE2 LYS 23 1HE LYS 23 -2.755 1.569 16.930 169 HE3 LYS 23 2HE LYS 23 -1.651 2.940 16.819 170 HZ1 LYS 23 1HZ LYS 23 -3.272 3.475 18.433 171 HZ2 LYS 23 2HZ LYS 23 -4.550 3.001 17.433 172 HZ3 LYS 23 3HZ LYS 23 -3.657 4.389 17.062 173 H ALA 24 H ALA 24 -0.883 0.199 12.835 174 HA ALA 24 HA ALA 24 -0.750 -2.604 12.180 175 HB1 ALA 24 1HB ALA 24 1.512 -0.718 12.825 176 HB2 ALA 24 2HB ALA 24 1.625 -2.276 12.005 177 HB3 ALA 24 3HB ALA 24 0.804 -0.925 11.222 178 H SER 25 H SER 25 -0.393 -4.267 13.517 179 HA SER 25 HA SER 25 -0.052 -3.672 16.369 180 HB2 SER 25 1HB SER 25 -0.862 -5.970 16.747 181 HB3 SER 25 2HB SER 25 -2.002 -5.038 15.776 182 HG SER 25 HG SER 25 -0.058 -6.524 14.434 183 H GLN 26 H GLN 26 1.498 -5.167 13.659 184 HA GLN 26 HA GLN 26 3.621 -6.200 15.416 185 HB2 GLN 26 1HB GLN 26 2.902 -6.957 12.580 186 HB3 GLN 26 2HB GLN 26 4.290 -7.587 13.457 187 HG2 GLN 26 1HG GLN 26 1.418 -7.923 14.293 188 HG3 GLN 26 2HG GLN 26 2.379 -9.131 13.441 189 HE21 GLN 26 1HE2 GLN 26 1.353 -10.010 15.662 190 HE22 GLN 26 2HE2 GLN 26 2.506 -10.081 16.947 191 HA PRO 27 HA PRO 27 6.475 -3.215 13.928 192 HB2 PRO 27 1HB PRO 27 8.792 -4.627 14.016 193 HB3 PRO 27 2HB PRO 27 7.962 -4.051 15.467 194 HG2 PRO 27 1HG PRO 27 7.926 -6.772 14.218 195 HG3 PRO 27 2HG PRO 27 8.055 -6.328 15.930 196 HD2 PRO 27 1HD PRO 27 5.731 -7.148 14.809 197 HD3 PRO 27 2HD PRO 27 5.787 -5.974 16.139 198 H ASP 28 H ASP 28 5.981 -6.180 12.257 199 HA ASP 28 HA ASP 28 7.689 -5.475 10.020 200 HB2 ASP 28 1HB ASP 28 5.818 -7.800 10.498 201 HB3 ASP 28 2HB ASP 28 6.753 -7.587 9.021 202 H GLU 29 H GLU 29 4.485 -4.928 11.023 203 HA GLU 29 HA GLU 29 3.377 -4.642 8.370 204 HB2 GLU 29 1HB GLU 29 2.348 -4.261 11.156 205 HB3 GLU 29 2HB GLU 29 1.470 -3.554 9.807 206 HG2 GLU 29 1HG GLU 29 0.999 -5.643 8.868 207 HG3 GLU 29 2HG GLU 29 2.221 -6.454 9.845 208 H LEU 30 H LEU 30 1.948 -2.429 8.280 209 HA LEU 30 HA LEU 30 3.764 -0.191 8.848 210 HB2 LEU 30 1HB LEU 30 3.707 -1.161 6.404 211 HB3 LEU 30 2HB LEU 30 2.219 -0.223 6.300 212 HG LEU 30 HG LEU 30 4.128 0.993 5.377 213 HD11 LEU 30 1HD1 LEU 30 3.426 2.375 7.934 214 HD12 LEU 30 2HD1 LEU 30 2.192 2.071 6.712 215 HD13 LEU 30 3HD1 LEU 30 3.608 3.044 6.313 216 HD21 LEU 30 1HD2 LEU 30 5.261 0.967 8.170 217 HD22 LEU 30 2HD2 LEU 30 5.975 1.693 6.730 218 HD23 LEU 30 3HD2 LEU 30 5.835 -0.061 6.856 219 H THR 31 H THR 31 2.695 1.087 10.200 220 HA THR 31 HA THR 31 -0.102 1.122 10.523 221 HB THR 31 HB THR 31 1.862 3.271 11.342 222 HG1 THR 31 1HG THR 31 1.479 1.966 13.427 223 HG21 THR 31 1HG2 THR 31 -0.927 2.590 12.272 224 HG22 THR 31 2HG2 THR 31 -0.384 4.087 11.514 225 HG23 THR 31 3HG2 THR 31 0.162 3.673 13.139 226 H ILE 32 H ILE 32 -1.577 1.935 9.200 227 HA ILE 32 HA ILE 32 -0.866 4.288 7.572 228 HB ILE 32 HB ILE 32 -2.451 3.538 5.889 229 HG12 ILE 32 1HG1 ILE 32 -2.807 1.056 7.581 230 HG13 ILE 32 2HG1 ILE 32 -3.982 2.362 7.475 231 HG21 ILE 32 1HG2 ILE 32 -1.276 1.338 5.279 232 HG22 ILE 32 2HG2 ILE 32 -0.291 2.792 5.429 233 HG23 ILE 32 3HG2 ILE 32 -0.320 1.609 6.736 234 HD11 ILE 32 1HD1 ILE 32 -3.733 1.830 4.882 235 HD12 ILE 32 2HD1 ILE 32 -3.316 0.244 5.531 236 HD13 ILE 32 3HD1 ILE 32 -4.869 0.979 5.929 237 H GLU 33 H GLU 33 -2.690 5.706 7.010 238 HA GLU 33 HA GLU 33 -5.019 5.576 8.740 239 HB2 GLU 33 1HB GLU 33 -2.814 7.542 9.068 240 HB3 GLU 33 2HB GLU 33 -4.458 8.149 9.214 241 HG2 GLU 33 1HG GLU 33 -4.870 6.358 10.914 242 HG3 GLU 33 2HG GLU 33 -3.144 6.006 10.861 243 H GLU 34 H GLU 34 -6.784 6.643 7.926 244 HA GLU 34 HA GLU 34 -7.154 6.980 5.272 245 HB2 GLU 34 1HB GLU 34 -8.942 7.101 6.990 246 HB3 GLU 34 2HB GLU 34 -8.421 8.733 7.383 247 HG2 GLU 34 1HG GLU 34 -8.832 9.220 4.883 248 HG3 GLU 34 2HG GLU 34 -9.775 7.730 4.916 249 H HIS 35 H HIS 35 -7.052 8.637 3.759 250 HA HIS 35 HA HIS 35 -6.237 10.491 2.719 251 HB2 HIS 35 1HB HIS 35 -5.974 11.645 5.503 252 HB3 HIS 35 2HB HIS 35 -5.977 12.549 3.991 253 HD1 HIS 35 1HD HIS 35 -8.402 11.518 2.573 254 HD2 HIS 35 2HD HIS 35 -8.342 12.216 6.669 255 HE1 HIS 35 1HE HIS 35 -10.807 11.835 3.237 256 HE2 HIS 35 2HE HIS 35 -10.738 12.341 5.704 257 H GLU 36 H GLU 36 -4.476 8.437 3.101 258 HA GLU 36 HA GLU 36 -1.946 9.886 3.476 259 HB2 GLU 36 1HB GLU 36 -2.441 8.427 5.446 260 HB3 GLU 36 2HB GLU 36 -2.428 7.039 4.367 261 HG2 GLU 36 1HG GLU 36 -0.308 7.010 5.274 262 HG3 GLU 36 2HG GLU 36 -0.062 7.830 3.733 263 H VAL 37 H VAL 37 -1.384 10.081 1.371 264 HA VAL 37 HA VAL 37 -1.759 7.983 -0.542 265 HB VAL 37 HB VAL 37 -0.115 10.511 -0.740 266 HG11 VAL 37 1HG1 VAL 37 -0.368 8.236 -2.495 267 HG12 VAL 37 2HG1 VAL 37 -0.945 9.709 -3.277 268 HG13 VAL 37 3HG1 VAL 37 0.691 9.640 -2.621 269 HG21 VAL 37 1HG2 VAL 37 -1.971 11.522 -1.787 270 HG22 VAL 37 2HG2 VAL 37 -2.825 9.986 -1.936 271 HG23 VAL 37 3HG2 VAL 37 -2.613 10.727 -0.350 272 H LEU 38 H LEU 38 -0.549 6.219 -0.649 273 HA LEU 38 HA LEU 38 2.265 6.377 0.200 274 HB2 LEU 38 1HB LEU 38 0.556 3.908 -0.026 275 HB3 LEU 38 2HB LEU 38 2.163 4.031 0.687 276 HG LEU 38 HG LEU 38 -0.174 5.523 1.838 277 HD11 LEU 38 1HD1 LEU 38 -0.685 3.072 1.639 278 HD12 LEU 38 2HD1 LEU 38 -0.673 3.709 3.283 279 HD13 LEU 38 3HD1 LEU 38 0.698 2.772 2.691 280 HD21 LEU 38 1HD2 LEU 38 1.569 4.672 3.820 281 HD22 LEU 38 2HD2 LEU 38 1.464 6.294 3.133 282 HD23 LEU 38 3HD2 LEU 38 2.623 5.133 2.482 283 H GLU 39 H GLU 39 3.638 4.610 -0.920 284 HA GLU 39 HA GLU 39 2.985 4.575 -3.793 285 HB2 GLU 39 1HB GLU 39 4.834 6.182 -3.078 286 HB3 GLU 39 2HB GLU 39 5.785 4.755 -2.693 287 HG2 GLU 39 1HG GLU 39 5.728 4.028 -4.977 288 HG3 GLU 39 2HG GLU 39 4.614 5.325 -5.404 289 H VAL 40 H VAL 40 2.355 2.515 -4.099 290 HA VAL 40 HA VAL 40 3.492 0.288 -2.735 291 HB VAL 40 HB VAL 40 1.772 0.358 -5.218 292 HG11 VAL 40 1HG1 VAL 40 2.491 -1.777 -5.375 293 HG12 VAL 40 2HG1 VAL 40 2.989 -1.848 -3.683 294 HG13 VAL 40 3HG1 VAL 40 1.290 -2.046 -4.112 295 HG21 VAL 40 1HG2 VAL 40 0.084 0.835 -3.858 296 HG22 VAL 40 2HG2 VAL 40 0.404 -0.644 -2.952 297 HG23 VAL 40 3HG2 VAL 40 1.182 0.866 -2.478 298 H ILE 41 H ILE 41 5.557 -0.252 -3.069 299 HA ILE 41 HA ILE 41 6.675 -0.091 -5.768 300 HB ILE 41 HB ILE 41 8.852 -0.553 -4.654 301 HG12 ILE 41 1HG1 ILE 41 7.232 -0.287 -2.112 302 HG13 ILE 41 2HG1 ILE 41 7.951 -1.779 -2.708 303 HG21 ILE 41 1HG2 ILE 41 7.155 1.804 -4.173 304 HG22 ILE 41 2HG2 ILE 41 8.598 1.682 -3.167 305 HG23 ILE 41 3HG2 ILE 41 8.746 1.682 -4.924 306 HD11 ILE 41 1HD1 ILE 41 9.179 0.487 -1.309 307 HD12 ILE 41 2HD1 ILE 41 9.616 -1.223 -1.319 308 HD13 ILE 41 3HD1 ILE 41 10.119 -0.177 -2.646 309 H GLU 42 H GLU 42 5.920 -2.397 -3.230 310 HA GLU 42 HA GLU 42 6.349 -4.565 -5.158 311 HB2 GLU 42 1HB GLU 42 7.537 -4.300 -2.426 312 HB3 GLU 42 2HB GLU 42 7.113 -5.899 -3.021 313 HG2 GLU 42 1HG GLU 42 9.030 -3.953 -4.278 314 HG3 GLU 42 2HG GLU 42 9.428 -5.468 -3.470 315 H ASP 43 H ASP 43 5.291 -6.621 -4.429 316 HA ASP 43 HA ASP 43 2.679 -5.974 -3.273 317 HB2 ASP 43 1HB ASP 43 2.231 -8.409 -4.172 318 HB3 ASP 43 2HB ASP 43 2.258 -7.037 -5.277 319 H GLY 44 H GLY 44 5.021 -6.292 -1.591 320 HA2 GLY 44 1HA GLY 44 5.707 -7.392 0.309 321 HA3 GLY 44 2HA GLY 44 3.994 -7.717 0.527 322 H ASP 45 H ASP 45 5.318 -9.606 1.587 323 HA ASP 45 HA ASP 45 6.290 -11.634 -0.169 324 HB2 ASP 45 1HB ASP 45 5.713 -11.444 2.758 325 HB3 ASP 45 2HB ASP 45 5.923 -13.038 2.039 326 H MET 46 H MET 46 3.216 -10.984 1.416 327 HA MET 46 HA MET 46 2.069 -13.438 0.324 328 HB2 MET 46 1HB MET 46 1.676 -12.399 2.720 329 HB3 MET 46 2HB MET 46 0.466 -11.447 1.871 330 HG2 MET 46 1HG MET 46 -0.827 -13.192 2.505 331 HG3 MET 46 2HG MET 46 -0.247 -13.822 0.965 332 HE1 MET 46 1HE MET 46 0.248 -14.857 5.138 333 HE2 MET 46 2HE MET 46 1.926 -14.427 4.807 334 HE3 MET 46 3HE MET 46 0.637 -13.265 4.485 335 H GLU 47 H GLU 47 0.115 -13.397 -0.929 336 HA GLU 47 HA GLU 47 0.184 -11.509 -3.033 337 HB2 GLU 47 1HB GLU 47 -1.621 -13.760 -2.262 338 HB3 GLU 47 2HB GLU 47 -2.171 -12.621 -3.483 339 HG2 GLU 47 1HG GLU 47 -0.042 -13.078 -4.727 340 HG3 GLU 47 2HG GLU 47 0.262 -14.380 -3.578 341 H ASP 48 H ASP 48 -2.371 -12.118 -0.617 342 HA ASP 48 HA ASP 48 -3.976 -9.940 -1.217 343 HB2 ASP 48 1HB ASP 48 -4.933 -11.509 0.227 344 HB3 ASP 48 2HB ASP 48 -3.534 -11.520 1.297 345 H TRP 49 H TRP 49 -1.098 -10.123 0.787 346 HA TRP 49 HA TRP 49 -1.379 -7.370 1.665 347 HB2 TRP 49 1HB TRP 49 0.717 -9.485 2.170 348 HB3 TRP 49 2HB TRP 49 0.854 -7.834 2.770 349 HD1 TRP 49 HD TRP 49 -1.352 -10.970 3.181 350 HE1 TRP 49 1HE TRP 49 -2.506 -10.846 5.478 351 HE3 TRP 49 3HE TRP 49 0.163 -6.298 4.600 352 HZ2 TRP 49 2HZ TRP 49 -2.743 -9.011 7.610 353 HZ3 TRP 49 3HZ TRP 49 -0.571 -5.432 6.783 354 HH2 TRP 49 HH TRP 49 -1.995 -6.762 8.255 355 H VAL 50 H VAL 50 0.471 -5.858 1.403 356 HA VAL 50 HA VAL 50 2.136 -6.284 -0.943 357 HB VAL 50 HB VAL 50 1.456 -4.166 -2.002 358 HG11 VAL 50 1HG1 VAL 50 0.509 -6.140 -2.921 359 HG12 VAL 50 2HG1 VAL 50 -0.678 -6.255 -1.620 360 HG13 VAL 50 3HG1 VAL 50 -0.793 -4.956 -2.807 361 HG21 VAL 50 1HG2 VAL 50 0.469 -2.741 -0.549 362 HG22 VAL 50 2HG2 VAL 50 -1.003 -3.509 -1.143 363 HG23 VAL 50 3HG2 VAL 50 -0.287 -4.037 0.379 364 H LYS 51 H LYS 51 3.776 -4.614 -1.204 365 HA LYS 51 HA LYS 51 4.509 -3.452 1.389 366 HB2 LYS 51 1HB LYS 51 6.007 -5.043 -0.108 367 HB3 LYS 51 2HB LYS 51 6.398 -3.534 -0.922 368 HG2 LYS 51 1HG LYS 51 7.153 -2.584 1.199 369 HG3 LYS 51 2HG LYS 51 6.763 -4.100 2.014 370 HD2 LYS 51 1HD LYS 51 8.335 -5.088 0.121 371 HD3 LYS 51 2HD LYS 51 8.995 -3.451 0.160 372 HE2 LYS 51 1HE LYS 51 9.027 -3.843 2.743 373 HE3 LYS 51 2HE LYS 51 8.975 -5.546 2.290 374 HZ1 LYS 51 1HZ LYS 51 10.904 -4.433 0.686 375 HZ2 LYS 51 2HZ LYS 51 11.161 -5.413 2.040 376 HZ3 LYS 51 3HZ LYS 51 11.162 -3.729 2.203 377 H ALA 52 H ALA 52 4.907 -1.299 1.652 378 HA ALA 52 HA ALA 52 4.967 0.483 -0.634 379 HB1 ALA 52 1HB ALA 52 3.116 1.876 0.635 380 HB2 ALA 52 2HB ALA 52 2.691 0.628 -0.538 381 HB3 ALA 52 3HB ALA 52 2.629 0.274 1.189 382 H ARG 53 H ARG 53 5.550 2.673 -0.060 383 HA ARG 53 HA ARG 53 6.831 2.854 2.588 384 HB2 ARG 53 1HB ARG 53 8.573 2.665 0.970 385 HB3 ARG 53 2HB ARG 53 7.798 3.830 -0.096 386 HG2 ARG 53 1HG ARG 53 8.125 5.449 1.934 387 HG3 ARG 53 2HG ARG 53 9.370 4.285 2.390 388 HD2 ARG 53 1HD ARG 53 10.690 4.787 0.595 389 HD3 ARG 53 2HD ARG 53 9.322 5.236 -0.422 390 HE ARG 53 HE ARG 53 9.647 7.087 1.698 391 HH11 ARG 53 2HH1 ARG 53 11.017 6.130 -1.356 392 HH12 ARG 53 1HH1 ARG 53 11.657 7.700 -1.710 393 HH21 ARG 53 2HH2 ARG 53 10.485 9.160 1.244 394 HH22 ARG 53 1HH2 ARG 53 11.355 9.423 -0.230 395 H ASN 54 H ASN 54 6.437 4.629 3.789 396 HA ASN 54 HA ASN 54 4.509 6.550 2.730 397 HB2 ASN 54 1HB ASN 54 4.690 7.282 5.288 398 HB3 ASN 54 2HB ASN 54 3.691 5.924 4.778 399 HD21 ASN 54 1HD2 ASN 54 3.897 5.116 6.918 400 HD22 ASN 54 2HD2 ASN 54 5.325 4.271 7.403 401 H LYS 55 H LYS 55 4.831 8.839 3.829 402 HA LYS 55 HA LYS 55 6.922 10.110 2.556 403 HB2 LYS 55 1HB LYS 55 6.473 12.023 4.085 404 HB3 LYS 55 2HB LYS 55 5.019 11.355 3.354 405 HG2 LYS 55 1HG LYS 55 4.987 9.941 5.590 406 HG3 LYS 55 2HG LYS 55 5.915 11.322 6.180 407 HD2 LYS 55 1HD LYS 55 3.301 11.615 4.717 408 HD3 LYS 55 2HD LYS 55 3.402 11.453 6.471 409 HE2 LYS 55 1HE LYS 55 3.374 13.745 6.211 410 HE3 LYS 55 2HE LYS 55 5.105 13.413 6.280 411 HZ1 LYS 55 1HZ LYS 55 5.170 13.471 3.861 412 HZ2 LYS 55 2HZ LYS 55 4.579 14.928 4.483 413 HZ3 LYS 55 3HZ LYS 55 3.512 13.805 3.803 414 H VAL 56 H VAL 56 6.792 8.830 5.845 415 HA VAL 56 HA VAL 56 9.317 9.847 6.659 416 HB VAL 56 HB VAL 56 9.156 8.283 8.533 417 HG11 VAL 56 1HG1 VAL 56 6.372 9.088 8.534 418 HG12 VAL 56 2HG1 VAL 56 7.709 9.646 9.541 419 HG13 VAL 56 3HG1 VAL 56 7.432 10.375 7.958 420 HG21 VAL 56 1HG2 VAL 56 6.668 7.107 8.319 421 HG22 VAL 56 2HG2 VAL 56 7.360 6.902 6.710 422 HG23 VAL 56 3HG2 VAL 56 8.222 6.296 8.124 423 H GLY 57 H GLY 57 8.396 7.255 4.638 424 HA2 GLY 57 1HA GLY 57 9.944 6.084 3.282 425 HA3 GLY 57 2HA GLY 57 11.194 6.404 4.476 426 H GLN 58 H GLN 58 8.573 5.462 6.197 427 HA GLN 58 HA GLN 58 9.690 2.966 6.907 428 HB2 GLN 58 1HB GLN 58 7.207 4.460 7.573 429 HB3 GLN 58 2HB GLN 58 7.221 2.733 7.902 430 HG2 GLN 58 1HG GLN 58 9.223 3.009 9.273 431 HG3 GLN 58 2HG GLN 58 9.204 4.741 8.947 432 HE21 GLN 58 1HE2 GLN 58 8.717 5.656 10.823 433 HE22 GLN 58 2HE2 GLN 58 7.357 5.258 11.811 434 H VAL 59 H VAL 59 9.631 1.132 5.807 435 HA VAL 59 HA VAL 59 7.423 0.687 3.912 436 HB VAL 59 HB VAL 59 10.093 -0.718 3.932 437 HG11 VAL 59 1HG1 VAL 59 8.310 -0.441 1.558 438 HG12 VAL 59 2HG1 VAL 59 9.478 -1.705 1.949 439 HG13 VAL 59 3HG1 VAL 59 7.927 -1.645 2.788 440 HG21 VAL 59 1HG2 VAL 59 9.703 1.124 1.747 441 HG22 VAL 59 2HG2 VAL 59 9.633 1.958 3.299 442 HG23 VAL 59 3HG2 VAL 59 11.049 0.995 2.880 443 H GLY 60 H GLY 60 5.933 -0.738 4.501 444 HA2 GLY 60 1HA GLY 60 6.756 -3.136 5.974 445 HA3 GLY 60 2HA GLY 60 5.506 -2.122 6.679 446 H TYR 61 H TYR 61 4.280 -4.175 6.527 447 HA TYR 61 HA TYR 61 3.254 -4.676 3.818 448 HB2 TYR 61 1HB TYR 61 3.067 -6.385 6.308 449 HB3 TYR 61 2HB TYR 61 2.407 -6.810 4.732 450 HD1 TYR 61 2HD TYR 61 4.564 -6.041 2.911 451 HD2 TYR 61 1HD TYR 61 4.765 -7.914 6.726 452 HE1 TYR 61 2HE TYR 61 6.709 -7.070 2.287 453 HE2 TYR 61 1HE TYR 61 6.911 -8.947 6.113 454 HH TYR 61 HH TYR 61 7.993 -9.313 3.141 455 H VAL 62 H VAL 62 1.210 -4.197 3.303 456 HA VAL 62 HA VAL 62 -0.734 -3.706 5.442 457 HB VAL 62 HB VAL 62 -1.541 -1.668 4.327 458 HG11 VAL 62 1HG1 VAL 62 -0.231 -0.521 5.707 459 HG12 VAL 62 2HG1 VAL 62 0.775 -1.961 5.882 460 HG13 VAL 62 3HG1 VAL 62 1.162 -0.757 4.652 461 HG21 VAL 62 1HG2 VAL 62 -0.923 -1.910 2.081 462 HG22 VAL 62 2HG2 VAL 62 0.097 -0.600 2.675 463 HG23 VAL 62 3HG2 VAL 62 0.765 -2.221 2.485 464 HA PRO 63 HA PRO 63 -3.465 -5.975 2.849 465 HB2 PRO 63 1HB PRO 63 -5.847 -5.002 3.713 466 HB3 PRO 63 2HB PRO 63 -4.858 -6.110 4.671 467 HG2 PRO 63 1HG PRO 63 -5.100 -3.132 4.870 468 HG3 PRO 63 2HG PRO 63 -5.049 -4.340 6.168 469 HD2 PRO 63 1HD PRO 63 -2.889 -2.869 5.460 470 HD3 PRO 63 2HD PRO 63 -2.754 -4.531 6.071 471 H GLU 64 H GLU 64 -3.424 -5.476 0.730 472 HA GLU 64 HA GLU 64 -3.631 -3.057 -0.507 473 HB2 GLU 64 1HB GLU 64 -3.187 -5.390 -1.510 474 HB3 GLU 64 2HB GLU 64 -4.932 -5.491 -1.703 475 HG2 GLU 64 1HG GLU 64 -4.987 -3.773 -3.263 476 HG3 GLU 64 2HG GLU 64 -3.406 -3.158 -2.783 477 H LYS 65 H LYS 65 -6.329 -5.242 0.256 478 HA LYS 65 HA LYS 65 -8.462 -4.005 -0.840 479 HB2 LYS 65 1HB LYS 65 -8.356 -5.020 2.006 480 HB3 LYS 65 2HB LYS 65 -9.814 -4.792 1.049 481 HG2 LYS 65 1HG LYS 65 -8.812 -6.452 -0.592 482 HG3 LYS 65 2HG LYS 65 -7.636 -6.821 0.672 483 HD2 LYS 65 1HD LYS 65 -10.594 -6.900 1.191 484 HD3 LYS 65 2HD LYS 65 -9.731 -8.289 0.526 485 HE2 LYS 65 1HE LYS 65 -9.596 -8.767 2.758 486 HE3 LYS 65 2HE LYS 65 -8.118 -7.828 2.557 487 HZ1 LYS 65 1HZ LYS 65 -10.074 -5.980 3.092 488 HZ2 LYS 65 2HZ LYS 65 -8.885 -6.526 4.163 489 HZ3 LYS 65 3HZ LYS 65 -10.409 -7.260 4.147 490 H TYR 66 H TYR 66 -6.863 -3.010 2.165 491 HA TYR 66 HA TYR 66 -8.604 -0.870 2.753 492 HB2 TYR 66 1HB TYR 66 -5.787 -1.527 3.581 493 HB3 TYR 66 2HB TYR 66 -6.570 -0.041 4.106 494 HD1 TYR 66 1HD TYR 66 -7.832 -3.542 3.755 495 HD2 TYR 66 2HD TYR 66 -7.108 -0.243 6.344 496 HE1 TYR 66 1HE TYR 66 -8.900 -4.765 5.602 497 HE2 TYR 66 2HE TYR 66 -8.174 -1.458 8.198 498 HH TYR 66 HH TYR 66 -9.999 -3.407 8.313 499 H LEU 67 H LEU 67 -5.679 -1.103 0.814 500 HA LEU 67 HA LEU 67 -5.435 1.716 0.389 501 HB2 LEU 67 1HB LEU 67 -4.248 -0.568 -1.180 502 HB3 LEU 67 2HB LEU 67 -3.746 1.120 -1.258 503 HG LEU 67 HG LEU 67 -3.549 -0.526 1.255 504 HD11 LEU 67 1HD1 LEU 67 -0.994 -0.243 0.319 505 HD12 LEU 67 2HD1 LEU 67 -1.901 -0.590 -1.152 506 HD13 LEU 67 3HD1 LEU 67 -1.969 -1.708 0.209 507 HD21 LEU 67 1HD2 LEU 67 -3.417 1.735 1.809 508 HD22 LEU 67 2HD2 LEU 67 -2.515 2.139 0.347 509 HD23 LEU 67 3HD2 LEU 67 -1.730 1.244 1.650 510 H GLN 68 H GLN 68 -5.824 2.865 -1.545 511 HA GLN 68 HA GLN 68 -7.933 1.670 -3.214 512 HB2 GLN 68 1HB GLN 68 -8.629 3.641 -1.909 513 HB3 GLN 68 2HB GLN 68 -7.361 4.589 -2.674 514 HG2 GLN 68 1HG GLN 68 -9.346 3.214 -4.406 515 HG3 GLN 68 2HG GLN 68 -9.842 4.662 -3.531 516 HE21 GLN 68 1HE2 GLN 68 -8.319 6.540 -3.759 517 HE22 GLN 68 2HE2 GLN 68 -7.657 6.825 -5.329 518 H PHE 69 H PHE 69 -6.463 0.682 -4.656 519 HA PHE 69 HA PHE 69 -4.351 1.977 -5.957 520 HB2 PHE 69 1HB PHE 69 -6.005 -0.444 -6.536 521 HB3 PHE 69 2HB PHE 69 -4.939 0.171 -7.795 522 HD1 PHE 69 1HD PHE 69 -4.546 -0.119 -4.098 523 HD2 PHE 69 2HD PHE 69 -3.107 -1.206 -7.954 524 HE1 PHE 69 1HE PHE 69 -2.649 -1.289 -3.057 525 HE2 PHE 69 2HE PHE 69 -1.209 -2.379 -6.919 526 HZ PHE 69 HZ PHE 69 -0.978 -2.423 -4.467 527 HA PRO 70 HA PRO 70 -6.196 4.611 -8.942 528 HB2 PRO 70 1HB PRO 70 -4.472 4.364 -11.024 529 HB3 PRO 70 2HB PRO 70 -4.068 5.235 -9.541 530 HG2 PRO 70 1HG PRO 70 -3.340 2.449 -10.359 531 HG3 PRO 70 2HG PRO 70 -2.333 3.688 -9.588 532 HD2 PRO 70 1HD PRO 70 -3.458 1.653 -8.200 533 HD3 PRO 70 2HD PRO 70 -3.190 3.259 -7.492 534 H THR 71 H THR 71 -6.129 1.290 -9.332 535 HA THR 71 HA THR 71 -6.704 0.545 -11.824 536 HB THR 71 HB THR 71 -8.425 -0.164 -9.439 537 HG1 THR 71 1HG THR 71 -5.944 -0.603 -9.690 538 HG21 THR 71 1HG2 THR 71 -8.009 -1.963 -11.785 539 HG22 THR 71 2HG2 THR 71 -9.210 -0.676 -11.895 540 HG23 THR 71 3HG2 THR 71 -9.345 -1.903 -10.637 541 H SER 72 H SER 72 -7.825 1.441 -13.414 542 HA SER 72 HA SER 72 -9.913 3.336 -12.940 543 HB2 SER 72 1HB SER 72 -8.229 3.196 -14.928 544 HB3 SER 72 2HB SER 72 -9.404 2.078 -15.620 545 HG SER 72 HG SER 72 -9.953 4.099 -16.323 546 H SER 73 H SER 73 -11.753 2.562 -12.082 547 HA SER 73 HA SER 73 -12.932 0.128 -13.219 548 HB2 SER 73 1HB SER 73 -13.148 1.518 -10.591 549 HB3 SER 73 2HB SER 73 -14.556 0.621 -11.161 550 HG SER 73 HG SER 73 -12.832 -1.099 -11.559 551 H GLY 74 H GLY 74 -14.756 0.166 -14.395 552 HA2 GLY 74 1HA GLY 74 -16.071 2.787 -14.738 553 HA3 GLY 74 2HA GLY 74 -15.966 1.557 -15.989 554 HA PRO 75 HA PRO 75 -19.961 1.281 -13.401 555 HB2 PRO 75 1HB PRO 75 -21.676 2.407 -15.179 556 HB3 PRO 75 2HB PRO 75 -20.838 3.338 -13.931 557 HG2 PRO 75 1HG PRO 75 -20.166 3.023 -16.831 558 HG3 PRO 75 2HG PRO 75 -20.141 4.486 -15.829 559 HD2 PRO 75 1HD PRO 75 -17.896 3.100 -16.439 560 HD3 PRO 75 2HD PRO 75 -18.094 3.970 -14.904 561 H SER 76 H SER 76 -22.185 0.465 -14.512 562 HA SER 76 HA SER 76 -21.618 -2.079 -15.544 563 HB2 SER 76 1HB SER 76 -23.702 -1.512 -14.334 564 HB3 SER 76 2HB SER 76 -24.225 -0.548 -15.714 565 HG SER 76 HG SER 76 -24.977 -2.331 -16.503 566 H SER 77 H SER 77 -22.819 0.848 -17.160 567 HA SER 77 HA SER 77 -23.206 -0.120 -19.705 568 HB2 SER 77 1HB SER 77 -21.999 2.572 -19.027 569 HB3 SER 77 2HB SER 77 -22.869 2.151 -20.503 570 HG SER 77 HG SER 77 -24.387 3.079 -19.261 571 H GLY 78 H GLY 78 -21.779 -1.584 -20.513 572 HA2 GLY 78 1HA GLY 78 -19.251 -0.542 -21.468 573 HA3 GLY 78 2HA GLY 78 -19.108 -1.839 -20.291 Start of MODEL 14 1 H1 GLY 1 H GLY 1 5.330 -20.273 -8.419 2 HA2 GLY 1 1HA GLY 1 3.339 -20.340 -7.279 3 HA3 GLY 1 2HA GLY 1 4.103 -19.311 -6.077 4 H SER 2 H SER 2 3.654 -17.151 -6.032 5 HA SER 2 HA SER 2 1.237 -16.240 -7.033 6 HB2 SER 2 1HB SER 2 3.680 -14.750 -6.074 7 HB3 SER 2 2HB SER 2 2.196 -13.920 -6.542 8 HG SER 2 HG SER 2 1.610 -14.313 -4.564 9 H SER 3 H SER 3 0.565 -15.438 -8.919 10 HA SER 3 HA SER 3 2.414 -14.218 -10.783 11 HB2 SER 3 1HB SER 3 2.642 -16.612 -11.319 12 HB3 SER 3 2HB SER 3 0.898 -16.725 -11.550 13 HG SER 3 HG SER 3 1.426 -14.850 -13.115 14 H GLY 4 H GLY 4 1.419 -12.857 -12.239 15 HA2 GLY 4 1HA GLY 4 -1.298 -12.122 -11.592 16 HA3 GLY 4 2HA GLY 4 -0.233 -11.300 -12.723 17 H SER 5 H SER 5 -2.604 -11.358 -13.671 18 HA SER 5 HA SER 5 -2.666 -13.618 -15.558 19 HB2 SER 5 1HB SER 5 -4.972 -12.311 -14.113 20 HB3 SER 5 2HB SER 5 -5.196 -13.293 -15.560 21 HG SER 5 HG SER 5 -3.672 -14.371 -13.489 22 H SER 6 H SER 6 -3.151 -13.150 -17.676 23 HA SER 6 HA SER 6 -2.402 -10.712 -18.728 24 HB2 SER 6 1HB SER 6 -3.373 -11.465 -20.836 25 HB3 SER 6 2HB SER 6 -2.572 -12.814 -20.032 26 HG SER 6 HG SER 6 -5.292 -12.346 -20.456 27 H GLY 7 H GLY 7 -3.331 -8.899 -17.892 28 HA2 GLY 7 1HA GLY 7 -5.746 -7.975 -18.960 29 HA3 GLY 7 2HA GLY 7 -6.078 -8.579 -17.343 30 H THR 8 H THR 8 -5.165 -7.529 -15.545 31 HA THR 8 HA THR 8 -4.516 -4.728 -16.067 32 HB THR 8 HB THR 8 -4.821 -4.464 -13.586 33 HG1 THR 8 1HG THR 8 -6.002 -6.323 -12.637 34 HG21 THR 8 1HG2 THR 8 -6.648 -3.930 -15.071 35 HG22 THR 8 2HG2 THR 8 -7.289 -4.761 -13.653 36 HG23 THR 8 3HG2 THR 8 -7.107 -5.629 -15.177 37 H LEU 9 H LEU 9 -2.355 -4.864 -16.695 38 HA LEU 9 HA LEU 9 -0.413 -6.203 -15.045 39 HB2 LEU 9 1HB LEU 9 -0.296 -4.525 -17.518 40 HB3 LEU 9 2HB LEU 9 1.178 -4.895 -16.626 41 HG LEU 9 HG LEU 9 0.501 -7.354 -16.905 42 HD11 LEU 9 1HD1 LEU 9 -0.855 -7.748 -18.966 43 HD12 LEU 9 2HD1 LEU 9 -1.308 -6.044 -18.924 44 HD13 LEU 9 3HD1 LEU 9 -1.767 -7.111 -17.597 45 HD21 LEU 9 1HD2 LEU 9 1.184 -7.047 -19.500 46 HD22 LEU 9 2HD2 LEU 9 2.329 -6.965 -18.160 47 HD23 LEU 9 3HD2 LEU 9 1.670 -5.481 -18.851 48 H ARG 10 H ARG 10 0.129 -5.373 -13.138 49 HA ARG 10 HA ARG 10 -0.135 -2.602 -12.509 50 HB2 ARG 10 1HB ARG 10 1.252 -4.824 -10.999 51 HB3 ARG 10 2HB ARG 10 0.899 -3.227 -10.354 52 HG2 ARG 10 1HG ARG 10 -1.338 -4.864 -11.438 53 HG3 ARG 10 2HG ARG 10 -0.667 -5.264 -9.855 54 HD2 ARG 10 1HD ARG 10 -1.310 -3.242 -8.928 55 HD3 ARG 10 2HD ARG 10 -1.409 -2.440 -10.495 56 HE ARG 10 HE ARG 10 -3.576 -3.146 -10.676 57 HH11 ARG 10 2HH1 ARG 10 -1.984 -4.995 -8.193 58 HH12 ARG 10 1HH1 ARG 10 -3.436 -5.778 -7.663 59 HH21 ARG 10 2HH2 ARG 10 -5.494 -4.171 -9.988 60 HH22 ARG 10 1HH2 ARG 10 -5.432 -5.309 -8.685 61 H ASN 11 H ASN 11 1.300 -1.003 -12.698 62 HA ASN 11 HA ASN 11 4.057 -1.712 -13.456 63 HB2 ASN 11 1HB ASN 11 2.413 0.731 -14.146 64 HB3 ASN 11 2HB ASN 11 4.123 0.552 -14.527 65 HD21 ASN 11 1HD2 ASN 11 2.347 1.020 -16.517 66 HD22 ASN 11 2HD2 ASN 11 2.162 -0.391 -17.496 67 H TYR 12 H TYR 12 4.700 -1.861 -11.247 68 HA TYR 12 HA TYR 12 4.390 0.293 -9.420 69 HB2 TYR 12 1HB TYR 12 6.366 -1.998 -9.409 70 HB3 TYR 12 2HB TYR 12 6.057 -0.919 -8.053 71 HD1 TYR 12 2HD TYR 12 3.056 -0.734 -8.323 72 HD2 TYR 12 1HD TYR 12 5.700 -4.063 -8.487 73 HE1 TYR 12 2HE TYR 12 1.239 -2.207 -7.562 74 HE2 TYR 12 1HE TYR 12 3.890 -5.546 -7.728 75 HH TYR 12 HH TYR 12 1.815 -5.594 -6.803 76 HA PRO 13 HA PRO 13 5.699 0.982 -7.589 77 HB2 PRO 13 1HB PRO 13 5.839 3.622 -6.973 78 HB3 PRO 13 2HB PRO 13 7.192 2.509 -6.741 79 HG2 PRO 13 1HG PRO 13 6.688 4.438 -8.974 80 HG3 PRO 13 2HG PRO 13 8.200 4.091 -8.115 81 HD2 PRO 13 1HD PRO 13 7.635 3.050 -10.550 82 HD3 PRO 13 2HD PRO 13 8.606 2.183 -9.343 83 H LEU 14 H LEU 14 3.661 1.637 -6.807 84 HA LEU 14 HA LEU 14 1.996 3.165 -8.690 85 HB2 LEU 14 1HB LEU 14 1.564 0.453 -7.560 86 HB3 LEU 14 2HB LEU 14 0.159 1.502 -7.738 87 HG LEU 14 HG LEU 14 2.005 0.620 -9.956 88 HD11 LEU 14 1HD1 LEU 14 0.720 -1.246 -9.439 89 HD12 LEU 14 2HD1 LEU 14 -0.203 -0.458 -10.718 90 HD13 LEU 14 3HD1 LEU 14 -0.699 -0.279 -9.036 91 HD21 LEU 14 1HD2 LEU 14 0.176 1.635 -11.380 92 HD22 LEU 14 2HD2 LEU 14 1.222 2.772 -10.528 93 HD23 LEU 14 3HD2 LEU 14 -0.396 2.429 -9.913 94 H THR 15 H THR 15 1.379 4.952 -7.680 95 HA THR 15 HA THR 15 1.303 5.174 -4.830 96 HB THR 15 HB THR 15 0.068 7.170 -6.711 97 HG1 THR 15 1HG THR 15 1.979 7.633 -7.490 98 HG21 THR 15 1HG2 THR 15 -0.180 7.552 -4.302 99 HG22 THR 15 2HG2 THR 15 0.862 8.771 -5.037 100 HG23 THR 15 3HG2 THR 15 1.569 7.452 -4.105 101 H CYS 16 H CYS 16 -0.319 4.670 -3.520 102 HA CYS 16 HA CYS 16 -3.020 4.418 -4.668 103 HB2 CYS 16 1HB CYS 16 -3.416 2.879 -2.673 104 HB3 CYS 16 2HB CYS 16 -2.357 2.269 -3.938 105 HG CYS 16 HG CYS 16 -1.519 3.317 -0.809 106 H LYS 17 H LYS 17 -4.718 4.536 -2.766 107 HA LYS 17 HA LYS 17 -4.052 6.827 -1.045 108 HB2 LYS 17 1HB LYS 17 -5.299 7.764 -2.860 109 HB3 LYS 17 2HB LYS 17 -6.492 6.474 -2.786 110 HG2 LYS 17 1HG LYS 17 -7.635 8.143 -1.740 111 HG3 LYS 17 2HG LYS 17 -6.852 7.390 -0.349 112 HD2 LYS 17 1HD LYS 17 -5.116 9.064 -0.362 113 HD3 LYS 17 2HD LYS 17 -5.753 9.765 -1.852 114 HE2 LYS 17 1HE LYS 17 -7.846 10.307 -0.656 115 HE3 LYS 17 2HE LYS 17 -7.134 9.680 0.830 116 HZ1 LYS 17 1HZ LYS 17 -7.037 12.226 0.190 117 HZ2 LYS 17 2HZ LYS 17 -5.633 11.727 -0.611 118 HZ3 LYS 17 3HZ LYS 17 -5.792 11.473 1.054 119 H VAL 18 H VAL 18 -4.191 6.129 0.980 120 HA VAL 18 HA VAL 18 -5.558 3.834 1.826 121 HB VAL 18 HB VAL 18 -4.622 6.221 3.421 122 HG11 VAL 18 1HG1 VAL 18 -6.154 3.856 4.208 123 HG12 VAL 18 2HG1 VAL 18 -4.695 4.123 5.165 124 HG13 VAL 18 3HG1 VAL 18 -5.919 5.388 5.048 125 HG21 VAL 18 1HG2 VAL 18 -2.971 4.735 2.137 126 HG22 VAL 18 2HG2 VAL 18 -2.661 5.022 3.850 127 HG23 VAL 18 3HG2 VAL 18 -3.372 3.495 3.326 128 H VAL 19 H VAL 19 -7.700 3.652 1.492 129 HA VAL 19 HA VAL 19 -9.476 5.893 2.016 130 HB VAL 19 HB VAL 19 -11.247 4.122 1.349 131 HG11 VAL 19 1HG1 VAL 19 -9.876 4.403 -1.105 132 HG12 VAL 19 2HG1 VAL 19 -11.203 5.382 -0.478 133 HG13 VAL 19 3HG1 VAL 19 -9.533 5.842 -0.147 134 HG21 VAL 19 1HG2 VAL 19 -9.388 2.308 1.622 135 HG22 VAL 19 2HG2 VAL 19 -10.578 2.166 0.328 136 HG23 VAL 19 3HG2 VAL 19 -8.961 2.777 -0.023 137 H TYR 20 H TYR 20 -8.329 3.074 3.598 138 HA TYR 20 HA TYR 20 -10.237 3.543 5.784 139 HB2 TYR 20 1HB TYR 20 -9.508 0.932 4.488 140 HB3 TYR 20 2HB TYR 20 -10.027 0.982 6.169 141 HD1 TYR 20 2HD TYR 20 -11.069 1.732 2.699 142 HD2 TYR 20 1HD TYR 20 -12.316 1.225 6.736 143 HE1 TYR 20 2HE TYR 20 -13.417 1.723 1.967 144 HE2 TYR 20 1HE TYR 20 -14.667 1.214 6.014 145 HH TYR 20 HH TYR 20 -15.982 2.145 4.010 146 H SER 21 H SER 21 -9.277 3.893 7.671 147 HA SER 21 HA SER 21 -6.482 3.947 7.961 148 HB2 SER 21 1HB SER 21 -6.860 4.652 10.179 149 HB3 SER 21 2HB SER 21 -8.272 5.231 9.295 150 HG SER 21 HG SER 21 -9.179 4.238 10.971 151 H TYR 22 H TYR 22 -5.148 2.713 9.423 152 HA TYR 22 HA TYR 22 -6.048 0.202 10.455 153 HB2 TYR 22 1HB TYR 22 -5.873 -0.399 8.084 154 HB3 TYR 22 2HB TYR 22 -4.209 0.173 8.052 155 HD1 TYR 22 1HD TYR 22 -2.607 -0.970 9.802 156 HD2 TYR 22 2HD TYR 22 -6.271 -2.650 8.438 157 HE1 TYR 22 1HE TYR 22 -1.822 -3.205 10.465 158 HE2 TYR 22 2HE TYR 22 -5.496 -4.889 9.098 159 HH TYR 22 HH TYR 22 -2.736 -5.381 11.042 160 H LYS 23 H LYS 23 -5.008 0.176 12.326 161 HA LYS 23 HA LYS 23 -2.388 1.404 12.585 162 HB2 LYS 23 1HB LYS 23 -4.404 1.538 14.253 163 HB3 LYS 23 2HB LYS 23 -3.797 -0.013 14.819 164 HG2 LYS 23 1HG LYS 23 -1.542 1.156 15.067 165 HG3 LYS 23 2HG LYS 23 -2.446 2.662 14.888 166 HD2 LYS 23 1HD LYS 23 -3.364 0.627 16.871 167 HD3 LYS 23 2HD LYS 23 -1.988 1.660 17.265 168 HE2 LYS 23 1HE LYS 23 -4.488 2.893 16.200 169 HE3 LYS 23 2HE LYS 23 -4.431 2.383 17.886 170 HZ1 LYS 23 1HZ LYS 23 -3.717 4.774 17.215 171 HZ2 LYS 23 2HZ LYS 23 -2.249 4.033 16.819 172 HZ3 LYS 23 3HZ LYS 23 -2.847 3.935 18.398 173 H ALA 24 H ALA 24 -0.595 0.279 12.261 174 HA ALA 24 HA ALA 24 -0.475 -2.478 11.838 175 HB1 ALA 24 1HB ALA 24 1.208 -0.861 11.038 176 HB2 ALA 24 2HB ALA 24 1.789 -0.680 12.694 177 HB3 ALA 24 3HB ALA 24 1.927 -2.236 11.875 178 H SER 25 H SER 25 0.053 -4.212 13.103 179 HA SER 25 HA SER 25 0.210 -3.705 16.003 180 HB2 SER 25 1HB SER 25 -1.195 -5.856 14.439 181 HB3 SER 25 2HB SER 25 -0.734 -6.122 16.121 182 HG SER 25 HG SER 25 -2.743 -4.581 15.073 183 H GLN 26 H GLN 26 1.619 -5.262 13.267 184 HA GLN 26 HA GLN 26 3.547 -6.647 15.005 185 HB2 GLN 26 1HB GLN 26 2.443 -7.243 12.302 186 HB3 GLN 26 2HB GLN 26 4.094 -7.741 12.647 187 HG2 GLN 26 1HG GLN 26 3.051 -8.788 14.782 188 HG3 GLN 26 2HG GLN 26 1.542 -8.669 13.879 189 HE21 GLN 26 1HE2 GLN 26 4.809 -9.975 13.783 190 HE22 GLN 26 2HE2 GLN 26 4.444 -11.306 12.745 191 HA PRO 27 HA PRO 27 6.816 -4.012 13.734 192 HB2 PRO 27 1HB PRO 27 8.911 -5.738 13.679 193 HB3 PRO 27 2HB PRO 27 8.167 -5.178 15.181 194 HG2 PRO 27 1HG PRO 27 7.752 -7.749 13.704 195 HG3 PRO 27 2HG PRO 27 7.937 -7.477 15.446 196 HD2 PRO 27 1HD PRO 27 5.524 -7.862 14.281 197 HD3 PRO 27 2HD PRO 27 5.741 -6.827 15.706 198 H ASP 28 H ASP 28 5.642 -6.446 11.748 199 HA ASP 28 HA ASP 28 7.431 -5.676 9.539 200 HB2 ASP 28 1HB ASP 28 7.198 -8.148 10.287 201 HB3 ASP 28 2HB ASP 28 5.631 -8.083 9.484 202 H GLU 29 H GLU 29 4.875 -4.420 10.658 203 HA GLU 29 HA GLU 29 3.352 -4.404 8.135 204 HB2 GLU 29 1HB GLU 29 2.491 -4.226 10.992 205 HB3 GLU 29 2HB GLU 29 1.537 -3.404 9.766 206 HG2 GLU 29 1HG GLU 29 1.613 -5.710 8.559 207 HG3 GLU 29 2HG GLU 29 1.995 -6.320 10.168 208 H LEU 30 H LEU 30 2.204 -2.311 7.713 209 HA LEU 30 HA LEU 30 3.922 -0.046 8.491 210 HB2 LEU 30 1HB LEU 30 3.754 -0.956 6.019 211 HB3 LEU 30 2HB LEU 30 2.286 0.019 6.005 212 HG LEU 30 HG LEU 30 4.098 1.279 5.046 213 HD11 LEU 30 1HD1 LEU 30 2.415 2.223 6.890 214 HD12 LEU 30 2HD1 LEU 30 3.629 3.228 6.096 215 HD13 LEU 30 3HD1 LEU 30 3.942 2.569 7.702 216 HD21 LEU 30 1HD2 LEU 30 5.730 1.643 7.396 217 HD22 LEU 30 2HD2 LEU 30 6.199 1.172 5.763 218 HD23 LEU 30 3HD2 LEU 30 5.675 -0.054 6.918 219 H THR 31 H THR 31 2.899 1.176 9.930 220 HA THR 31 HA THR 31 0.108 1.213 10.325 221 HB THR 31 HB THR 31 2.066 3.344 11.196 222 HG1 THR 31 1HG THR 31 2.790 1.952 12.616 223 HG21 THR 31 1HG2 THR 31 0.487 3.726 13.007 224 HG22 THR 31 2HG2 THR 31 -0.555 2.441 12.396 225 HG23 THR 31 3HG2 THR 31 -0.321 3.910 11.450 226 H ILE 32 H ILE 32 -1.428 2.193 9.196 227 HA ILE 32 HA ILE 32 -0.718 4.598 7.645 228 HB ILE 32 HB ILE 32 -2.301 3.957 5.931 229 HG12 ILE 32 1HG1 ILE 32 -2.792 1.542 7.681 230 HG13 ILE 32 2HG1 ILE 32 -3.956 2.782 7.229 231 HG21 ILE 32 1HG2 ILE 32 -1.123 2.069 4.978 232 HG22 ILE 32 2HG2 ILE 32 0.020 3.153 5.768 233 HG23 ILE 32 3HG2 ILE 32 -0.462 1.652 6.558 234 HD11 ILE 32 1HD1 ILE 32 -4.314 0.728 5.986 235 HD12 ILE 32 2HD1 ILE 32 -3.842 2.044 4.910 236 HD13 ILE 32 3HD1 ILE 32 -2.668 0.808 5.359 237 H GLU 33 H GLU 33 -2.789 5.834 7.001 238 HA GLU 33 HA GLU 33 -4.952 5.674 8.914 239 HB2 GLU 33 1HB GLU 33 -2.833 7.754 9.054 240 HB3 GLU 33 2HB GLU 33 -4.493 8.283 9.291 241 HG2 GLU 33 1HG GLU 33 -4.611 6.338 10.993 242 HG3 GLU 33 2HG GLU 33 -2.851 6.421 10.949 243 H GLU 34 H GLU 34 -6.821 6.499 8.121 244 HA GLU 34 HA GLU 34 -7.387 6.779 5.526 245 HB2 GLU 34 1HB GLU 34 -8.931 7.021 7.595 246 HB3 GLU 34 2HB GLU 34 -8.630 8.744 7.427 247 HG2 GLU 34 1HG GLU 34 -9.566 8.744 5.212 248 HG3 GLU 34 2HG GLU 34 -9.751 6.991 5.254 249 H HIS 35 H HIS 35 -7.362 8.316 3.919 250 HA HIS 35 HA HIS 35 -6.709 10.158 2.751 251 HB2 HIS 35 1HB HIS 35 -6.312 11.505 5.427 252 HB3 HIS 35 2HB HIS 35 -6.538 12.288 3.866 253 HD1 HIS 35 1HD HIS 35 -8.994 11.696 2.734 254 HD2 HIS 35 2HD HIS 35 -8.600 11.274 6.849 255 HE1 HIS 35 1HE HIS 35 -11.340 11.709 3.639 256 HE2 HIS 35 2HE HIS 35 -11.073 11.539 6.138 257 H GLU 36 H GLU 36 -4.828 8.127 3.574 258 HA GLU 36 HA GLU 36 -2.352 9.721 3.679 259 HB2 GLU 36 1HB GLU 36 -2.485 8.366 5.646 260 HB3 GLU 36 2HB GLU 36 -2.931 6.946 4.710 261 HG2 GLU 36 1HG GLU 36 -0.742 6.483 5.074 262 HG3 GLU 36 2HG GLU 36 -0.597 7.390 3.569 263 H VAL 37 H VAL 37 -1.392 9.837 1.768 264 HA VAL 37 HA VAL 37 -1.888 7.827 -0.267 265 HB VAL 37 HB VAL 37 -0.222 10.345 -0.396 266 HG11 VAL 37 1HG1 VAL 37 -0.776 9.881 -2.935 267 HG12 VAL 37 2HG1 VAL 37 0.621 9.142 -2.149 268 HG13 VAL 37 3HG1 VAL 37 -0.862 8.213 -2.369 269 HG21 VAL 37 1HG2 VAL 37 -2.968 10.119 -0.216 270 HG22 VAL 37 2HG2 VAL 37 -2.076 11.505 -0.845 271 HG23 VAL 37 3HG2 VAL 37 -2.677 10.268 -1.949 272 H LEU 38 H LEU 38 -0.626 6.124 -0.576 273 HA LEU 38 HA LEU 38 2.166 6.253 0.359 274 HB2 LEU 38 1HB LEU 38 0.425 3.803 0.152 275 HB3 LEU 38 2HB LEU 38 2.063 3.881 0.798 276 HG LEU 38 HG LEU 38 -0.061 5.516 2.099 277 HD11 LEU 38 1HD1 LEU 38 0.283 2.545 2.478 278 HD12 LEU 38 2HD1 LEU 38 -1.145 3.369 1.853 279 HD13 LEU 38 3HD1 LEU 38 -0.655 3.605 3.531 280 HD21 LEU 38 1HD2 LEU 38 1.275 4.930 4.098 281 HD22 LEU 38 2HD2 LEU 38 2.212 5.765 2.859 282 HD23 LEU 38 3HD2 LEU 38 2.374 4.020 3.062 283 H GLU 39 H GLU 39 3.448 4.341 -0.764 284 HA GLU 39 HA GLU 39 2.780 4.297 -3.625 285 HB2 GLU 39 1HB GLU 39 4.474 6.041 -3.243 286 HB3 GLU 39 2HB GLU 39 5.519 4.856 -2.473 287 HG2 GLU 39 1HG GLU 39 5.969 3.765 -4.474 288 HG3 GLU 39 2HG GLU 39 4.566 4.464 -5.280 289 H VAL 40 H VAL 40 2.382 2.217 -4.019 290 HA VAL 40 HA VAL 40 3.620 0.086 -2.565 291 HB VAL 40 HB VAL 40 2.033 -0.124 -5.125 292 HG11 VAL 40 1HG1 VAL 40 1.505 -2.320 -3.553 293 HG12 VAL 40 2HG1 VAL 40 2.614 -2.272 -4.925 294 HG13 VAL 40 3HG1 VAL 40 3.226 -2.041 -3.287 295 HG21 VAL 40 1HG2 VAL 40 0.221 -0.749 -3.299 296 HG22 VAL 40 2HG2 VAL 40 1.190 0.346 -2.314 297 HG23 VAL 40 3HG2 VAL 40 0.473 0.916 -3.821 298 H ILE 41 H ILE 41 5.564 -0.732 -2.927 299 HA ILE 41 HA ILE 41 6.784 -0.365 -5.578 300 HB ILE 41 HB ILE 41 8.945 -0.867 -4.388 301 HG12 ILE 41 1HG1 ILE 41 7.221 -0.481 -1.930 302 HG13 ILE 41 2HG1 ILE 41 7.961 -1.998 -2.430 303 HG21 ILE 41 1HG2 ILE 41 7.832 1.451 -4.864 304 HG22 ILE 41 2HG2 ILE 41 7.700 1.521 -3.108 305 HG23 ILE 41 3HG2 ILE 41 9.282 1.347 -3.867 306 HD11 ILE 41 1HD1 ILE 41 10.149 -0.487 -2.330 307 HD12 ILE 41 2HD1 ILE 41 9.164 0.368 -1.143 308 HD13 ILE 41 3HD1 ILE 41 9.513 -1.348 -0.929 309 H GLU 42 H GLU 42 5.810 -2.724 -3.220 310 HA GLU 42 HA GLU 42 6.479 -4.847 -5.126 311 HB2 GLU 42 1HB GLU 42 7.356 -4.656 -2.270 312 HB3 GLU 42 2HB GLU 42 7.030 -6.236 -2.968 313 HG2 GLU 42 1HG GLU 42 8.618 -5.456 -4.857 314 HG3 GLU 42 2HG GLU 42 9.152 -4.260 -3.678 315 H ASP 43 H ASP 43 5.330 -6.894 -4.638 316 HA ASP 43 HA ASP 43 2.583 -6.313 -3.944 317 HB2 ASP 43 1HB ASP 43 3.511 -9.081 -4.570 318 HB3 ASP 43 2HB ASP 43 2.024 -8.263 -5.043 319 H GLY 44 H GLY 44 4.989 -6.631 -1.982 320 HA2 GLY 44 1HA GLY 44 5.118 -7.195 0.247 321 HA3 GLY 44 2HA GLY 44 3.432 -7.686 0.163 322 H ASP 45 H ASP 45 4.587 -9.281 1.725 323 HA ASP 45 HA ASP 45 5.619 -11.562 0.175 324 HB2 ASP 45 1HB ASP 45 6.751 -12.311 2.137 325 HB3 ASP 45 2HB ASP 45 7.081 -10.587 1.991 326 H MET 46 H MET 46 2.780 -10.750 0.639 327 HA MET 46 HA MET 46 1.874 -13.318 1.741 328 HB2 MET 46 1HB MET 46 0.303 -10.798 2.195 329 HB3 MET 46 2HB MET 46 0.172 -12.341 3.028 330 HG2 MET 46 1HG MET 46 2.657 -10.688 3.230 331 HG3 MET 46 2HG MET 46 1.256 -10.361 4.247 332 HE1 MET 46 1HE MET 46 0.082 -13.197 5.195 333 HE2 MET 46 2HE MET 46 1.038 -13.209 6.677 334 HE3 MET 46 3HE MET 46 0.401 -11.688 6.051 335 H GLU 47 H GLU 47 -0.721 -13.315 1.281 336 HA GLU 47 HA GLU 47 -0.888 -13.069 -1.629 337 HB2 GLU 47 1HB GLU 47 -2.769 -14.594 -1.491 338 HB3 GLU 47 2HB GLU 47 -1.405 -15.253 -0.599 339 HG2 GLU 47 1HG GLU 47 -2.436 -14.393 1.492 340 HG3 GLU 47 2HG GLU 47 -3.846 -13.921 0.546 341 H ASP 48 H ASP 48 -2.073 -11.637 1.251 342 HA ASP 48 HA ASP 48 -3.928 -9.996 -0.341 343 HB2 ASP 48 1HB ASP 48 -4.913 -11.755 1.367 344 HB3 ASP 48 2HB ASP 48 -4.504 -10.512 2.546 345 H TRP 49 H TRP 49 -1.140 -9.551 0.421 346 HA TRP 49 HA TRP 49 -1.505 -6.936 1.641 347 HB2 TRP 49 1HB TRP 49 0.561 -8.850 2.738 348 HB3 TRP 49 2HB TRP 49 0.181 -7.235 3.330 349 HD1 TRP 49 HD TRP 49 -1.798 -10.553 2.841 350 HE1 TRP 49 1HE TRP 49 -3.324 -10.863 4.890 351 HE3 TRP 49 3HE TRP 49 -0.625 -6.274 5.380 352 HZ2 TRP 49 2HZ TRP 49 -3.948 -9.477 7.268 353 HZ3 TRP 49 3HZ TRP 49 -1.732 -5.841 7.535 354 HH2 TRP 49 HH TRP 49 -3.359 -7.410 8.458 355 H VAL 50 H VAL 50 -0.017 -5.429 0.977 356 HA VAL 50 HA VAL 50 2.052 -6.377 -0.898 357 HB VAL 50 HB VAL 50 1.752 -4.296 -2.175 358 HG11 VAL 50 1HG1 VAL 50 0.609 -6.109 -3.104 359 HG12 VAL 50 2HG1 VAL 50 -0.597 -6.128 -1.815 360 HG13 VAL 50 3HG1 VAL 50 -0.610 -4.837 -3.018 361 HG21 VAL 50 1HG2 VAL 50 0.079 -3.624 0.093 362 HG22 VAL 50 2HG2 VAL 50 0.781 -2.576 -1.139 363 HG23 VAL 50 3HG2 VAL 50 -0.759 -3.380 -1.439 364 H LYS 51 H LYS 51 3.505 -4.222 -1.369 365 HA LYS 51 HA LYS 51 4.383 -3.293 1.288 366 HB2 LYS 51 1HB LYS 51 5.841 -4.948 -0.173 367 HB3 LYS 51 2HB LYS 51 6.294 -3.464 -1.002 368 HG2 LYS 51 1HG LYS 51 7.138 -2.521 1.044 369 HG3 LYS 51 2HG LYS 51 6.565 -3.915 1.963 370 HD2 LYS 51 1HD LYS 51 8.068 -5.216 0.207 371 HD3 LYS 51 2HD LYS 51 8.901 -3.661 0.141 372 HE2 LYS 51 1HE LYS 51 9.373 -3.724 2.469 373 HE3 LYS 51 2HE LYS 51 8.294 -5.096 2.717 374 HZ1 LYS 51 1HZ LYS 51 9.920 -6.500 2.225 375 HZ2 LYS 51 2HZ LYS 51 10.997 -5.196 2.244 376 HZ3 LYS 51 3HZ LYS 51 10.296 -5.692 0.787 377 H ALA 52 H ALA 52 4.064 -1.193 1.557 378 HA ALA 52 HA ALA 52 4.491 0.606 -0.732 379 HB1 ALA 52 1HB ALA 52 2.216 0.705 1.241 380 HB2 ALA 52 2HB ALA 52 2.612 2.005 0.116 381 HB3 ALA 52 3HB ALA 52 2.116 0.428 -0.499 382 H ARG 53 H ARG 53 5.471 2.550 -0.287 383 HA ARG 53 HA ARG 53 6.577 2.808 2.424 384 HB2 ARG 53 1HB ARG 53 8.245 2.586 0.656 385 HB3 ARG 53 2HB ARG 53 7.544 3.953 -0.201 386 HG2 ARG 53 1HG ARG 53 8.145 5.421 1.668 387 HG3 ARG 53 2HG ARG 53 8.875 4.046 2.498 388 HD2 ARG 53 1HD ARG 53 9.747 4.688 -0.279 389 HD3 ARG 53 2HD ARG 53 10.330 5.689 1.050 390 HE ARG 53 HE ARG 53 10.651 2.869 1.500 391 HH11 ARG 53 2HH1 ARG 53 12.058 5.721 0.083 392 HH12 ARG 53 1HH1 ARG 53 13.679 5.113 0.149 393 HH21 ARG 53 2HH2 ARG 53 12.781 2.057 1.592 394 HH22 ARG 53 1HH2 ARG 53 14.089 3.028 1.006 395 H ASN 54 H ASN 54 6.167 4.555 3.650 396 HA ASN 54 HA ASN 54 4.195 6.452 2.684 397 HB2 ASN 54 1HB ASN 54 4.631 7.287 5.187 398 HB3 ASN 54 2HB ASN 54 3.588 5.916 4.823 399 HD21 ASN 54 1HD2 ASN 54 4.013 5.194 6.967 400 HD22 ASN 54 2HD2 ASN 54 5.480 4.356 7.331 401 H LYS 55 H LYS 55 4.475 8.790 3.230 402 HA LYS 55 HA LYS 55 6.584 9.929 1.883 403 HB2 LYS 55 1HB LYS 55 5.868 12.020 2.714 404 HB3 LYS 55 2HB LYS 55 4.419 11.025 2.654 405 HG2 LYS 55 1HG LYS 55 5.939 11.068 5.196 406 HG3 LYS 55 2HG LYS 55 5.034 12.518 4.754 407 HD2 LYS 55 1HD LYS 55 3.713 9.842 4.592 408 HD3 LYS 55 2HD LYS 55 3.895 10.632 6.160 409 HE2 LYS 55 1HE LYS 55 1.815 11.374 5.461 410 HE3 LYS 55 2HE LYS 55 2.876 12.692 4.965 411 HZ1 LYS 55 1HZ LYS 55 2.369 10.540 3.047 412 HZ2 LYS 55 2HZ LYS 55 2.634 12.188 2.775 413 HZ3 LYS 55 3HZ LYS 55 1.128 11.655 3.329 414 H VAL 56 H VAL 56 6.452 8.842 5.186 415 HA VAL 56 HA VAL 56 8.754 10.233 6.116 416 HB VAL 56 HB VAL 56 8.736 8.371 7.897 417 HG11 VAL 56 1HG1 VAL 56 6.172 9.476 8.348 418 HG12 VAL 56 2HG1 VAL 56 7.721 10.000 9.012 419 HG13 VAL 56 3HG1 VAL 56 7.129 10.691 7.500 420 HG21 VAL 56 1HG2 VAL 56 5.933 7.817 7.223 421 HG22 VAL 56 2HG2 VAL 56 7.113 7.095 6.129 422 HG23 VAL 56 3HG2 VAL 56 7.182 6.745 7.857 423 H GLY 57 H GLY 57 8.238 7.231 4.415 424 HA2 GLY 57 1HA GLY 57 10.129 6.456 3.052 425 HA3 GLY 57 2HA GLY 57 11.162 6.799 4.432 426 H GLN 58 H GLN 58 8.859 5.656 6.134 427 HA GLN 58 HA GLN 58 9.950 3.159 6.631 428 HB2 GLN 58 1HB GLN 58 7.376 4.490 7.294 429 HB3 GLN 58 2HB GLN 58 7.460 2.748 7.519 430 HG2 GLN 58 1HG GLN 58 9.303 4.780 8.758 431 HG3 GLN 58 2HG GLN 58 7.986 3.936 9.571 432 HE21 GLN 58 1HE2 GLN 58 11.239 3.810 8.556 433 HE22 GLN 58 2HE2 GLN 58 11.603 2.226 9.141 434 H VAL 59 H VAL 59 9.020 1.017 6.308 435 HA VAL 59 HA VAL 59 7.254 0.715 4.006 436 HB VAL 59 HB VAL 59 9.918 -0.700 4.087 437 HG11 VAL 59 1HG1 VAL 59 7.763 -0.523 1.985 438 HG12 VAL 59 2HG1 VAL 59 9.338 -1.286 1.756 439 HG13 VAL 59 3HG1 VAL 59 8.200 -1.944 2.932 440 HG21 VAL 59 1HG2 VAL 59 10.449 0.774 2.109 441 HG22 VAL 59 2HG2 VAL 59 9.067 1.763 2.579 442 HG23 VAL 59 3HG2 VAL 59 10.433 1.579 3.678 443 H GLY 60 H GLY 60 5.763 -0.747 4.499 444 HA2 GLY 60 1HA GLY 60 6.535 -3.123 6.031 445 HA3 GLY 60 2HA GLY 60 5.247 -2.114 6.673 446 H TYR 61 H TYR 61 4.301 -4.426 6.392 447 HA TYR 61 HA TYR 61 3.259 -4.790 3.675 448 HB2 TYR 61 1HB TYR 61 3.232 -6.643 6.065 449 HB3 TYR 61 2HB TYR 61 2.535 -7.023 4.494 450 HD1 TYR 61 2HD TYR 61 4.344 -6.467 2.495 451 HD2 TYR 61 1HD TYR 61 5.256 -7.647 6.479 452 HE1 TYR 61 2HE TYR 61 6.518 -7.329 1.735 453 HE2 TYR 61 1HE TYR 61 7.434 -8.512 5.731 454 HH TYR 61 HH TYR 61 8.518 -9.279 3.720 455 H VAL 62 H VAL 62 1.357 -3.907 3.249 456 HA VAL 62 HA VAL 62 -0.664 -3.807 5.395 457 HB VAL 62 HB VAL 62 -1.596 -1.825 4.037 458 HG11 VAL 62 1HG1 VAL 62 -0.066 -0.242 5.203 459 HG12 VAL 62 2HG1 VAL 62 -0.695 -1.524 6.240 460 HG13 VAL 62 3HG1 VAL 62 0.956 -1.615 5.627 461 HG21 VAL 62 1HG2 VAL 62 0.215 -2.413 2.207 462 HG22 VAL 62 2HG2 VAL 62 -0.293 -0.749 2.495 463 HG23 VAL 62 3HG2 VAL 62 1.215 -1.343 3.191 464 HA PRO 63 HA PRO 63 -3.377 -6.084 2.797 465 HB2 PRO 63 1HB PRO 63 -5.780 -5.098 3.586 466 HB3 PRO 63 2HB PRO 63 -4.808 -6.180 4.591 467 HG2 PRO 63 1HG PRO 63 -5.063 -3.200 4.715 468 HG3 PRO 63 2HG PRO 63 -5.037 -4.376 6.041 469 HD2 PRO 63 1HD PRO 63 -2.865 -2.916 5.346 470 HD3 PRO 63 2HD PRO 63 -2.740 -4.562 5.998 471 H GLU 64 H GLU 64 -3.388 -5.687 0.667 472 HA GLU 64 HA GLU 64 -3.549 -3.275 -0.632 473 HB2 GLU 64 1HB GLU 64 -3.069 -5.641 -1.559 474 HB3 GLU 64 2HB GLU 64 -4.806 -5.738 -1.808 475 HG2 GLU 64 1HG GLU 64 -4.470 -3.467 -3.042 476 HG3 GLU 64 2HG GLU 64 -2.794 -4.002 -3.153 477 H LYS 65 H LYS 65 -6.167 -5.282 0.560 478 HA LYS 65 HA LYS 65 -8.338 -4.167 -0.745 479 HB2 LYS 65 1HB LYS 65 -8.236 -5.067 2.141 480 HB3 LYS 65 2HB LYS 65 -9.686 -4.905 1.158 481 HG2 LYS 65 1HG LYS 65 -9.144 -6.752 -0.160 482 HG3 LYS 65 2HG LYS 65 -7.455 -6.736 0.352 483 HD2 LYS 65 1HD LYS 65 -8.582 -8.565 1.438 484 HD3 LYS 65 2HD LYS 65 -8.199 -7.335 2.645 485 HE2 LYS 65 1HE LYS 65 -10.504 -6.486 2.472 486 HE3 LYS 65 2HE LYS 65 -10.873 -7.762 1.312 487 HZ1 LYS 65 1HZ LYS 65 -11.444 -8.975 3.066 488 HZ2 LYS 65 2HZ LYS 65 -10.765 -7.881 4.163 489 HZ3 LYS 65 3HZ LYS 65 -9.800 -9.075 3.453 490 H TYR 66 H TYR 66 -6.715 -3.054 2.204 491 HA TYR 66 HA TYR 66 -8.473 -0.884 2.688 492 HB2 TYR 66 1HB TYR 66 -5.702 -1.570 3.638 493 HB3 TYR 66 2HB TYR 66 -6.460 -0.043 4.075 494 HD1 TYR 66 1HD TYR 66 -7.872 -3.488 3.800 495 HD2 TYR 66 2HD TYR 66 -7.015 -0.170 6.321 496 HE1 TYR 66 1HE TYR 66 -9.037 -4.605 5.656 497 HE2 TYR 66 2HE TYR 66 -8.176 -1.278 8.184 498 HH TYR 66 HH TYR 66 -10.170 -3.975 7.763 499 H LEU 67 H LEU 67 -5.544 -1.256 0.798 500 HA LEU 67 HA LEU 67 -5.199 1.549 0.313 501 HB2 LEU 67 1HB LEU 67 -4.051 -0.807 -1.175 502 HB3 LEU 67 2HB LEU 67 -3.497 0.862 -1.280 503 HG LEU 67 HG LEU 67 -3.349 -0.848 1.201 504 HD11 LEU 67 1HD1 LEU 67 -1.645 -0.694 -1.134 505 HD12 LEU 67 2HD1 LEU 67 -1.600 -1.814 0.227 506 HD13 LEU 67 3HD1 LEU 67 -0.786 -0.254 0.342 507 HD21 LEU 67 1HD2 LEU 67 -3.519 1.587 1.590 508 HD22 LEU 67 2HD2 LEU 67 -2.093 1.823 0.578 509 HD23 LEU 67 3HD2 LEU 67 -1.965 0.918 2.088 510 H GLN 68 H GLN 68 -5.590 2.683 -1.604 511 HA GLN 68 HA GLN 68 -7.600 1.440 -3.363 512 HB2 GLN 68 1HB GLN 68 -8.433 3.331 -1.990 513 HB3 GLN 68 2HB GLN 68 -7.234 4.375 -2.742 514 HG2 GLN 68 1HG GLN 68 -8.280 3.910 -4.939 515 HG3 GLN 68 2HG GLN 68 -9.534 2.994 -4.104 516 HE21 GLN 68 1HE2 GLN 68 -8.153 6.160 -4.611 517 HE22 GLN 68 2HE2 GLN 68 -9.519 7.060 -4.056 518 H PHE 69 H PHE 69 -6.050 0.604 -4.803 519 HA PHE 69 HA PHE 69 -3.935 1.999 -5.952 520 HB2 PHE 69 1HB PHE 69 -5.587 -0.345 -6.813 521 HB3 PHE 69 2HB PHE 69 -4.436 0.357 -7.945 522 HD1 PHE 69 1HD PHE 69 -4.275 -0.254 -4.271 523 HD2 PHE 69 2HD PHE 69 -2.623 -1.044 -8.113 524 HE1 PHE 69 1HE PHE 69 -2.464 -1.548 -3.223 525 HE2 PHE 69 2HE PHE 69 -0.810 -2.340 -7.071 526 HZ PHE 69 HZ PHE 69 -0.729 -2.594 -4.623 527 HA PRO 70 HA PRO 70 -5.646 4.861 -8.802 528 HB2 PRO 70 1HB PRO 70 -3.916 4.689 -10.887 529 HB3 PRO 70 2HB PRO 70 -3.493 5.447 -9.348 530 HG2 PRO 70 1HG PRO 70 -2.857 2.696 -10.342 531 HG3 PRO 70 2HG PRO 70 -1.812 3.846 -9.487 532 HD2 PRO 70 1HD PRO 70 -3.018 1.767 -8.240 533 HD3 PRO 70 2HD PRO 70 -2.699 3.312 -7.427 534 H THR 71 H THR 71 -7.617 4.129 -9.495 535 HA THR 71 HA THR 71 -7.622 2.343 -11.841 536 HB THR 71 HB THR 71 -9.842 2.716 -9.821 537 HG1 THR 71 1HG THR 71 -9.123 0.906 -8.890 538 HG21 THR 71 1HG2 THR 71 -10.044 1.902 -12.438 539 HG22 THR 71 2HG2 THR 71 -11.180 1.499 -11.151 540 HG23 THR 71 3HG2 THR 71 -9.887 0.376 -11.570 541 H SER 72 H SER 72 -7.487 3.971 -13.384 542 HA SER 72 HA SER 72 -8.217 5.601 -14.795 543 HB2 SER 72 1HB SER 72 -10.156 3.883 -14.810 544 HB3 SER 72 2HB SER 72 -11.019 5.069 -13.832 545 HG SER 72 HG SER 72 -9.827 5.661 -16.336 546 H SER 73 H SER 73 -7.348 6.522 -12.324 547 HA SER 73 HA SER 73 -8.863 8.115 -10.760 548 HB2 SER 73 1HB SER 73 -6.404 7.891 -10.560 549 HB3 SER 73 2HB SER 73 -6.209 8.955 -11.953 550 HG SER 73 HG SER 73 -6.712 9.577 -9.354 551 H GLY 74 H GLY 74 -9.759 10.163 -10.802 552 HA2 GLY 74 1HA GLY 74 -9.512 12.204 -12.562 553 HA3 GLY 74 2HA GLY 74 -10.568 11.089 -13.418 554 HA PRO 75 HA PRO 75 -13.272 13.878 -10.933 555 HB2 PRO 75 1HB PRO 75 -15.140 14.164 -12.882 556 HB3 PRO 75 2HB PRO 75 -13.693 15.174 -12.782 557 HG2 PRO 75 1HG PRO 75 -14.218 12.781 -14.503 558 HG3 PRO 75 2HG PRO 75 -13.442 14.318 -14.930 559 HD2 PRO 75 1HD PRO 75 -12.028 12.072 -14.395 560 HD3 PRO 75 2HD PRO 75 -11.420 13.696 -14.016 561 H SER 76 H SER 76 -14.497 12.838 -9.501 562 HA SER 76 HA SER 76 -16.108 10.548 -10.418 563 HB2 SER 76 1HB SER 76 -16.049 9.802 -8.033 564 HB3 SER 76 2HB SER 76 -14.457 9.859 -8.788 565 HG SER 76 HG SER 76 -15.167 11.023 -6.572 566 H SER 77 H SER 77 -17.186 12.993 -10.887 567 HA SER 77 HA SER 77 -19.349 13.110 -8.898 568 HB2 SER 77 1HB SER 77 -19.412 15.507 -8.987 569 HB3 SER 77 2HB SER 77 -17.741 15.043 -8.666 570 HG SER 77 HG SER 77 -18.194 16.687 -10.379 571 H GLY 78 H GLY 78 -21.377 13.972 -9.737 572 HA2 GLY 78 1HA GLY 78 -22.560 14.747 -11.779 573 HA3 GLY 78 2HA GLY 78 -21.623 13.543 -12.652 Start of MODEL 15 1 H1 GLY 1 H GLY 1 2.184 -20.293 -18.033 2 HA2 GLY 1 1HA GLY 1 0.418 -21.302 -20.166 3 HA3 GLY 1 2HA GLY 1 1.771 -22.184 -19.475 4 H SER 2 H SER 2 1.149 -23.836 -18.272 5 HA SER 2 HA SER 2 -1.402 -24.450 -17.482 6 HB2 SER 2 1HB SER 2 0.442 -26.065 -17.416 7 HB3 SER 2 2HB SER 2 1.164 -25.202 -16.058 8 HG SER 2 HG SER 2 -0.289 -26.023 -14.743 9 H SER 3 H SER 3 1.108 -23.117 -15.322 10 HA SER 3 HA SER 3 -0.893 -22.432 -13.346 11 HB2 SER 3 1HB SER 3 1.203 -23.265 -12.506 12 HB3 SER 3 2HB SER 3 2.109 -22.061 -13.423 13 HG SER 3 HG SER 3 0.927 -21.848 -10.989 14 H GLY 4 H GLY 4 -2.070 -20.652 -13.577 15 HA2 GLY 4 1HA GLY 4 -0.820 -18.094 -13.911 16 HA3 GLY 4 2HA GLY 4 -1.716 -18.585 -15.340 17 H SER 5 H SER 5 -2.303 -16.310 -13.756 18 HA SER 5 HA SER 5 -4.974 -17.067 -12.777 19 HB2 SER 5 1HB SER 5 -3.764 -16.592 -10.789 20 HB3 SER 5 2HB SER 5 -2.984 -15.185 -11.510 21 HG SER 5 HG SER 5 -4.877 -14.069 -11.389 22 H SER 6 H SER 6 -6.643 -15.649 -13.226 23 HA SER 6 HA SER 6 -6.228 -13.942 -15.501 24 HB2 SER 6 1HB SER 6 -8.591 -14.906 -13.950 25 HB3 SER 6 2HB SER 6 -8.780 -13.462 -14.945 26 HG SER 6 HG SER 6 -9.092 -15.767 -15.847 27 H GLY 7 H GLY 7 -6.869 -11.701 -15.610 28 HA2 GLY 7 1HA GLY 7 -7.593 -9.716 -14.324 29 HA3 GLY 7 2HA GLY 7 -6.582 -10.312 -13.016 30 H THR 8 H THR 8 -6.354 -7.731 -14.057 31 HA THR 8 HA THR 8 -4.160 -7.646 -15.924 32 HB THR 8 HB THR 8 -5.704 -5.828 -16.048 33 HG1 THR 8 1HG THR 8 -3.359 -4.868 -14.737 34 HG21 THR 8 1HG2 THR 8 -5.411 -4.314 -13.742 35 HG22 THR 8 2HG2 THR 8 -5.578 -5.966 -13.150 36 HG23 THR 8 3HG2 THR 8 -6.820 -5.273 -14.192 37 H LEU 9 H LEU 9 -2.033 -7.203 -15.510 38 HA LEU 9 HA LEU 9 -1.102 -7.769 -12.838 39 HB2 LEU 9 1HB LEU 9 0.216 -7.330 -15.490 40 HB3 LEU 9 2HB LEU 9 1.170 -7.340 -14.007 41 HG LEU 9 HG LEU 9 -0.587 -9.635 -14.858 42 HD11 LEU 9 1HD1 LEU 9 2.358 -9.790 -15.114 43 HD12 LEU 9 2HD1 LEU 9 1.486 -8.878 -16.346 44 HD13 LEU 9 3HD1 LEU 9 1.091 -10.572 -16.059 45 HD21 LEU 9 1HD2 LEU 9 0.407 -10.846 -13.153 46 HD22 LEU 9 2HD2 LEU 9 0.207 -9.253 -12.423 47 HD23 LEU 9 3HD2 LEU 9 1.784 -9.750 -13.037 48 H ARG 10 H ARG 10 -0.234 -6.377 -11.396 49 HA ARG 10 HA ARG 10 -0.700 -3.572 -11.782 50 HB2 ARG 10 1HB ARG 10 0.557 -5.124 -9.515 51 HB3 ARG 10 2HB ARG 10 0.294 -3.385 -9.481 52 HG2 ARG 10 1HG ARG 10 -2.181 -4.114 -10.061 53 HG3 ARG 10 2HG ARG 10 -1.657 -5.607 -9.280 54 HD2 ARG 10 1HD ARG 10 -0.974 -4.328 -7.306 55 HD3 ARG 10 2HD ARG 10 -1.504 -2.840 -8.089 56 HE ARG 10 HE ARG 10 -3.148 -4.767 -6.768 57 HH11 ARG 10 2HH1 ARG 10 -3.078 -2.398 -9.318 58 HH12 ARG 10 1HH1 ARG 10 -4.785 -2.107 -9.273 59 HH21 ARG 10 2HH2 ARG 10 -5.398 -4.393 -6.699 60 HH22 ARG 10 1HH2 ARG 10 -6.104 -3.242 -7.782 61 H ASN 11 H ASN 11 0.684 -2.074 -12.473 62 HA ASN 11 HA ASN 11 3.452 -2.874 -12.985 63 HB2 ASN 11 1HB ASN 11 1.644 -0.756 -14.095 64 HB3 ASN 11 2HB ASN 11 3.390 -0.570 -14.235 65 HD21 ASN 11 1HD2 ASN 11 4.563 -2.377 -15.232 66 HD22 ASN 11 2HD2 ASN 11 3.796 -3.243 -16.516 67 H TYR 12 H TYR 12 4.370 -2.663 -10.948 68 HA TYR 12 HA TYR 12 4.072 -0.286 -9.381 69 HB2 TYR 12 1HB TYR 12 6.186 -2.430 -9.114 70 HB3 TYR 12 2HB TYR 12 5.674 -1.285 -7.879 71 HD1 TYR 12 2HD TYR 12 2.747 -1.431 -8.083 72 HD2 TYR 12 1HD TYR 12 5.657 -4.530 -8.264 73 HE1 TYR 12 2HE TYR 12 1.073 -3.043 -7.278 74 HE2 TYR 12 1HE TYR 12 3.990 -6.150 -7.460 75 HH TYR 12 HH TYR 12 1.736 -6.480 -7.165 76 HA PRO 13 HA PRO 13 5.445 0.687 -7.755 77 HB2 PRO 13 1HB PRO 13 5.572 3.391 -7.555 78 HB3 PRO 13 2HB PRO 13 6.951 2.338 -7.222 79 HG2 PRO 13 1HG PRO 13 6.314 3.899 -9.696 80 HG3 PRO 13 2HG PRO 13 7.870 3.700 -8.868 81 HD2 PRO 13 1HD PRO 13 7.210 2.294 -11.086 82 HD3 PRO 13 2HD PRO 13 8.249 1.630 -9.809 83 H LEU 14 H LEU 14 3.528 1.821 -6.907 84 HA LEU 14 HA LEU 14 1.747 2.992 -8.891 85 HB2 LEU 14 1HB LEU 14 1.166 0.449 -7.395 86 HB3 LEU 14 2HB LEU 14 -0.101 1.449 -8.103 87 HG LEU 14 HG LEU 14 2.144 0.224 -9.698 88 HD11 LEU 14 1HD1 LEU 14 0.556 -1.473 -10.394 89 HD12 LEU 14 2HD1 LEU 14 -0.669 -0.795 -9.322 90 HD13 LEU 14 3HD1 LEU 14 0.786 -1.527 -8.646 91 HD21 LEU 14 1HD2 LEU 14 -0.504 1.412 -10.520 92 HD22 LEU 14 2HD2 LEU 14 0.709 0.722 -11.598 93 HD23 LEU 14 3HD2 LEU 14 1.069 2.192 -10.690 94 H THR 15 H THR 15 1.119 4.820 -7.968 95 HA THR 15 HA THR 15 1.131 5.215 -5.138 96 HB THR 15 HB THR 15 -0.247 7.069 -7.057 97 HG1 THR 15 1HG THR 15 2.017 7.990 -7.187 98 HG21 THR 15 1HG2 THR 15 1.491 7.598 -4.645 99 HG22 THR 15 2HG2 THR 15 -0.271 7.520 -4.610 100 HG23 THR 15 3HG2 THR 15 0.538 8.777 -5.545 101 H CYS 16 H CYS 16 -0.502 5.130 -3.702 102 HA CYS 16 HA CYS 16 -3.241 4.802 -4.706 103 HB2 CYS 16 1HB CYS 16 -3.451 3.131 -2.687 104 HB3 CYS 16 2HB CYS 16 -2.836 2.578 -4.240 105 HG CYS 16 HG CYS 16 -0.448 3.686 -2.180 106 H LYS 17 H LYS 17 -4.830 4.900 -2.780 107 HA LYS 17 HA LYS 17 -3.906 6.923 -0.849 108 HB2 LYS 17 1HB LYS 17 -5.218 8.048 -2.553 109 HB3 LYS 17 2HB LYS 17 -6.521 6.882 -2.366 110 HG2 LYS 17 1HG LYS 17 -7.238 7.790 -0.387 111 HG3 LYS 17 2HG LYS 17 -5.654 8.467 0.001 112 HD2 LYS 17 1HD LYS 17 -5.988 10.333 -1.278 113 HD3 LYS 17 2HD LYS 17 -7.062 9.501 -2.405 114 HE2 LYS 17 1HE LYS 17 -7.835 10.111 0.438 115 HE3 LYS 17 2HE LYS 17 -8.129 11.232 -0.890 116 HZ1 LYS 17 1HZ LYS 17 -9.044 8.464 -1.176 117 HZ2 LYS 17 2HZ LYS 17 -9.710 9.888 -1.799 118 HZ3 LYS 17 3HZ LYS 17 -9.927 9.496 -0.168 119 H VAL 18 H VAL 18 -4.348 6.486 1.218 120 HA VAL 18 HA VAL 18 -5.690 4.037 1.896 121 HB VAL 18 HB VAL 18 -4.508 6.200 3.640 122 HG11 VAL 18 1HG1 VAL 18 -5.497 5.269 5.393 123 HG12 VAL 18 2HG1 VAL 18 -6.323 4.127 4.330 124 HG13 VAL 18 3HG1 VAL 18 -4.743 3.724 5.003 125 HG21 VAL 18 1HG2 VAL 18 -2.627 5.246 2.846 126 HG22 VAL 18 2HG2 VAL 18 -2.999 3.991 4.028 127 HG23 VAL 18 3HG2 VAL 18 -3.459 3.777 2.339 128 H VAL 19 H VAL 19 -7.853 4.060 1.638 129 HA VAL 19 HA VAL 19 -9.435 6.368 2.371 130 HB VAL 19 HB VAL 19 -11.362 4.738 1.802 131 HG11 VAL 19 1HG1 VAL 19 -10.782 6.533 0.336 132 HG12 VAL 19 2HG1 VAL 19 -9.351 5.673 -0.239 133 HG13 VAL 19 3HG1 VAL 19 -10.962 5.076 -0.641 134 HG21 VAL 19 1HG2 VAL 19 -9.375 3.235 0.198 135 HG22 VAL 19 2HG2 VAL 19 -9.505 2.827 1.909 136 HG23 VAL 19 3HG2 VAL 19 -10.922 2.713 0.865 137 H TYR 20 H TYR 20 -8.563 3.285 3.728 138 HA TYR 20 HA TYR 20 -10.185 3.924 6.101 139 HB2 TYR 20 1HB TYR 20 -9.710 1.194 4.888 140 HB3 TYR 20 2HB TYR 20 -10.481 1.475 6.445 141 HD1 TYR 20 1HD TYR 20 -12.723 2.444 6.568 142 HD2 TYR 20 2HD TYR 20 -10.880 1.631 2.820 143 HE1 TYR 20 1HE TYR 20 -14.904 2.668 5.454 144 HE2 TYR 20 2HE TYR 20 -13.056 1.854 1.695 145 HH TYR 20 HH TYR 20 -15.465 3.313 2.621 146 H SER 21 H SER 21 -8.943 4.296 7.801 147 HA SER 21 HA SER 21 -6.181 3.914 7.884 148 HB2 SER 21 1HB SER 21 -7.436 5.505 9.326 149 HB3 SER 21 2HB SER 21 -8.054 4.138 10.253 150 HG SER 21 HG SER 21 -5.761 3.613 10.606 151 H TYR 22 H TYR 22 -4.905 2.513 9.240 152 HA TYR 22 HA TYR 22 -6.134 0.080 10.227 153 HB2 TYR 22 1HB TYR 22 -5.804 -0.474 7.878 154 HB3 TYR 22 2HB TYR 22 -4.119 0.027 7.970 155 HD1 TYR 22 2HD TYR 22 -6.549 -2.495 9.176 156 HD2 TYR 22 1HD TYR 22 -2.446 -1.462 8.726 157 HE1 TYR 22 2HE TYR 22 -5.909 -4.785 9.806 158 HE2 TYR 22 1HE TYR 22 -1.795 -3.749 9.354 159 HH TYR 22 HH TYR 22 -3.693 -6.291 9.263 160 H LYS 23 H LYS 23 -5.245 -0.224 12.147 161 HA LYS 23 HA LYS 23 -2.688 0.933 12.815 162 HB2 LYS 23 1HB LYS 23 -4.868 -0.453 14.311 163 HB3 LYS 23 2HB LYS 23 -3.265 -0.397 15.034 164 HG2 LYS 23 1HG LYS 23 -4.245 1.475 15.926 165 HG3 LYS 23 2HG LYS 23 -3.417 2.148 14.521 166 HD2 LYS 23 1HD LYS 23 -5.409 2.331 13.296 167 HD3 LYS 23 2HD LYS 23 -6.276 1.238 14.378 168 HE2 LYS 23 1HE LYS 23 -6.133 2.910 16.165 169 HE3 LYS 23 2HE LYS 23 -5.280 4.001 15.073 170 HZ1 LYS 23 1HZ LYS 23 -7.258 3.943 13.620 171 HZ2 LYS 23 2HZ LYS 23 -7.576 4.608 15.142 172 HZ3 LYS 23 3HZ LYS 23 -8.070 3.029 14.789 173 H ALA 24 H ALA 24 -0.837 -0.052 12.379 174 HA ALA 24 HA ALA 24 -0.592 -2.725 11.559 175 HB1 ALA 24 1HB ALA 24 1.810 -2.378 11.705 176 HB2 ALA 24 2HB ALA 24 1.024 -0.979 10.972 177 HB3 ALA 24 3HB ALA 24 1.555 -0.912 12.652 178 H SER 25 H SER 25 -0.392 -4.580 12.642 179 HA SER 25 HA SER 25 -0.217 -4.453 15.567 180 HB2 SER 25 1HB SER 25 -1.200 -6.620 13.702 181 HB3 SER 25 2HB SER 25 -1.032 -6.838 15.444 182 HG SER 25 HG SER 25 -3.163 -6.196 14.747 183 H GLN 26 H GLN 26 1.280 -5.904 12.735 184 HA GLN 26 HA GLN 26 3.247 -7.288 14.378 185 HB2 GLN 26 1HB GLN 26 2.485 -7.336 11.492 186 HB3 GLN 26 2HB GLN 26 4.107 -7.847 11.940 187 HG2 GLN 26 1HG GLN 26 2.845 -9.337 13.671 188 HG3 GLN 26 2HG GLN 26 1.482 -9.097 12.579 189 HE21 GLN 26 1HE2 GLN 26 1.994 -11.562 12.693 190 HE22 GLN 26 2HE2 GLN 26 2.970 -12.154 11.396 191 HA PRO 27 HA PRO 27 6.370 -4.216 14.082 192 HB2 PRO 27 1HB PRO 27 8.599 -5.766 14.104 193 HB3 PRO 27 2HB PRO 27 7.595 -5.507 15.536 194 HG2 PRO 27 1HG PRO 27 7.636 -7.829 13.647 195 HG3 PRO 27 2HG PRO 27 7.540 -7.829 15.417 196 HD2 PRO 27 1HD PRO 27 5.368 -8.183 13.840 197 HD3 PRO 27 2HD PRO 27 5.279 -7.377 15.419 198 H ASP 28 H ASP 28 5.780 -6.434 11.609 199 HA ASP 28 HA ASP 28 7.777 -5.179 9.847 200 HB2 ASP 28 1HB ASP 28 7.657 -7.752 10.186 201 HB3 ASP 28 2HB ASP 28 6.238 -7.663 9.146 202 H GLU 29 H GLU 29 4.777 -4.607 10.727 203 HA GLU 29 HA GLU 29 3.595 -4.354 8.070 204 HB2 GLU 29 1HB GLU 29 2.543 -4.085 10.868 205 HB3 GLU 29 2HB GLU 29 1.645 -3.412 9.515 206 HG2 GLU 29 1HG GLU 29 1.398 -5.558 8.512 207 HG3 GLU 29 2HG GLU 29 2.506 -6.287 9.673 208 H LEU 30 H LEU 30 2.248 -2.214 7.845 209 HA LEU 30 HA LEU 30 3.990 0.043 8.587 210 HB2 LEU 30 1HB LEU 30 3.864 -0.837 6.102 211 HB3 LEU 30 2HB LEU 30 2.385 0.122 6.082 212 HG LEU 30 HG LEU 30 4.431 1.265 5.183 213 HD11 LEU 30 1HD1 LEU 30 3.027 2.498 7.547 214 HD12 LEU 30 2HD1 LEU 30 2.506 2.547 5.863 215 HD13 LEU 30 3HD1 LEU 30 3.976 3.387 6.356 216 HD21 LEU 30 1HD2 LEU 30 5.273 1.644 8.028 217 HD22 LEU 30 2HD2 LEU 30 6.193 1.898 6.544 218 HD23 LEU 30 3HD2 LEU 30 5.853 0.259 7.102 219 H THR 31 H THR 31 2.928 1.205 10.050 220 HA THR 31 HA THR 31 0.128 1.216 10.386 221 HB THR 31 HB THR 31 2.176 3.208 11.381 222 HG1 THR 31 1HG THR 31 0.934 1.209 12.937 223 HG21 THR 31 1HG2 THR 31 -0.749 3.002 11.719 224 HG22 THR 31 2HG2 THR 31 0.313 4.405 11.849 225 HG23 THR 31 3HG2 THR 31 0.177 3.273 13.195 226 H ILE 32 H ILE 32 -1.271 2.027 8.971 227 HA ILE 32 HA ILE 32 -0.591 4.554 7.615 228 HB ILE 32 HB ILE 32 -2.080 3.919 5.813 229 HG12 ILE 32 1HG1 ILE 32 -2.555 1.411 7.437 230 HG13 ILE 32 2HG1 ILE 32 -3.740 2.657 7.060 231 HG21 ILE 32 1HG2 ILE 32 0.068 2.002 6.609 232 HG22 ILE 32 2HG2 ILE 32 -0.869 1.717 5.143 233 HG23 ILE 32 3HG2 ILE 32 0.060 3.205 5.320 234 HD11 ILE 32 1HD1 ILE 32 -2.712 0.450 5.401 235 HD12 ILE 32 2HD1 ILE 32 -4.316 1.182 5.461 236 HD13 ILE 32 3HD1 ILE 32 -3.015 1.980 4.578 237 H GLU 33 H GLU 33 -2.545 5.871 7.001 238 HA GLU 33 HA GLU 33 -4.847 5.576 8.744 239 HB2 GLU 33 1HB GLU 33 -2.755 7.656 9.111 240 HB3 GLU 33 2HB GLU 33 -4.430 8.165 9.274 241 HG2 GLU 33 1HG GLU 33 -4.792 6.499 11.002 242 HG3 GLU 33 2HG GLU 33 -3.134 5.929 10.817 243 H GLU 34 H GLU 34 -6.652 6.778 8.079 244 HA GLU 34 HA GLU 34 -7.148 7.051 5.428 245 HB2 GLU 34 1HB GLU 34 -8.852 7.231 7.220 246 HB3 GLU 34 2HB GLU 34 -8.283 8.857 7.571 247 HG2 GLU 34 1HG GLU 34 -8.881 9.516 5.263 248 HG3 GLU 34 2HG GLU 34 -9.557 7.907 5.016 249 H HIS 35 H HIS 35 -7.090 8.678 3.881 250 HA HIS 35 HA HIS 35 -6.262 10.474 2.757 251 HB2 HIS 35 1HB HIS 35 -5.992 11.715 5.503 252 HB3 HIS 35 2HB HIS 35 -5.964 12.576 3.967 253 HD1 HIS 35 1HD HIS 35 -8.352 11.857 2.509 254 HD2 HIS 35 2HD HIS 35 -8.399 12.026 6.660 255 HE1 HIS 35 1HE HIS 35 -10.768 12.142 3.143 256 HE2 HIS 35 2HE HIS 35 -10.763 12.328 5.655 257 H GLU 36 H GLU 36 -4.490 8.464 3.113 258 HA GLU 36 HA GLU 36 -1.960 9.916 3.475 259 HB2 GLU 36 1HB GLU 36 -2.434 8.437 5.435 260 HB3 GLU 36 2HB GLU 36 -2.428 7.060 4.342 261 HG2 GLU 36 1HG GLU 36 -0.297 6.997 5.179 262 HG3 GLU 36 2HG GLU 36 -0.065 7.918 3.694 263 H VAL 37 H VAL 37 -1.339 10.117 1.400 264 HA VAL 37 HA VAL 37 -1.743 8.028 -0.536 265 HB VAL 37 HB VAL 37 -0.117 10.566 -0.762 266 HG11 VAL 37 1HG1 VAL 37 0.480 9.915 -2.801 267 HG12 VAL 37 2HG1 VAL 37 -0.201 8.327 -2.444 268 HG13 VAL 37 3HG1 VAL 37 -1.192 9.557 -3.228 269 HG21 VAL 37 1HG2 VAL 37 -2.778 10.463 -0.372 270 HG22 VAL 37 2HG2 VAL 37 -1.983 11.701 -1.344 271 HG23 VAL 37 3HG2 VAL 37 -2.719 10.303 -2.127 272 H LEU 38 H LEU 38 -0.517 6.270 -0.595 273 HA LEU 38 HA LEU 38 2.313 6.489 0.184 274 HB2 LEU 38 1HB LEU 38 0.754 3.933 -0.022 275 HB3 LEU 38 2HB LEU 38 2.272 4.225 0.825 276 HG LEU 38 HG LEU 38 -0.223 5.607 1.725 277 HD11 LEU 38 1HD1 LEU 38 -0.869 3.785 3.088 278 HD12 LEU 38 2HD1 LEU 38 0.576 2.866 2.671 279 HD13 LEU 38 3HD1 LEU 38 -0.673 3.141 1.457 280 HD21 LEU 38 1HD2 LEU 38 1.814 6.339 2.737 281 HD22 LEU 38 2HD2 LEU 38 2.318 4.679 3.053 282 HD23 LEU 38 3HD2 LEU 38 0.941 5.363 3.919 283 H GLU 39 H GLU 39 3.517 4.438 -0.909 284 HA GLU 39 HA GLU 39 2.847 4.400 -3.766 285 HB2 GLU 39 1HB GLU 39 4.638 6.120 -3.214 286 HB3 GLU 39 2HB GLU 39 5.672 4.767 -2.777 287 HG2 GLU 39 1HG GLU 39 5.599 3.907 -5.008 288 HG3 GLU 39 2HG GLU 39 4.393 5.102 -5.478 289 H VAL 40 H VAL 40 2.418 2.322 -4.137 290 HA VAL 40 HA VAL 40 3.633 0.192 -2.661 291 HB VAL 40 HB VAL 40 1.933 0.079 -5.156 292 HG11 VAL 40 1HG1 VAL 40 2.762 -2.026 -5.180 293 HG12 VAL 40 2HG1 VAL 40 3.198 -1.992 -3.471 294 HG13 VAL 40 3HG1 VAL 40 1.525 -2.281 -3.950 295 HG21 VAL 40 1HG2 VAL 40 0.374 0.841 -3.720 296 HG22 VAL 40 2HG2 VAL 40 0.367 -0.826 -3.142 297 HG23 VAL 40 3HG2 VAL 40 1.317 0.397 -2.297 298 H ILE 41 H ILE 41 5.672 -0.399 -2.988 299 HA ILE 41 HA ILE 41 6.807 -0.210 -5.687 300 HB ILE 41 HB ILE 41 8.997 -0.505 -4.595 301 HG12 ILE 41 1HG1 ILE 41 7.361 -0.485 -2.050 302 HG13 ILE 41 2HG1 ILE 41 8.312 -1.830 -2.669 303 HG21 ILE 41 1HG2 ILE 41 8.640 1.675 -3.061 304 HG22 ILE 41 2HG2 ILE 41 8.723 1.722 -4.821 305 HG23 ILE 41 3HG2 ILE 41 7.156 1.722 -4.012 306 HD11 ILE 41 1HD1 ILE 41 10.225 0.034 -2.521 307 HD12 ILE 41 2HD1 ILE 41 9.163 0.590 -1.227 308 HD13 ILE 41 3HD1 ILE 41 9.814 -1.048 -1.191 309 H GLU 42 H GLU 42 6.283 -2.475 -3.030 310 HA GLU 42 HA GLU 42 6.903 -4.675 -4.889 311 HB2 GLU 42 1HB GLU 42 7.715 -4.248 -2.055 312 HB3 GLU 42 2HB GLU 42 7.355 -5.891 -2.567 313 HG2 GLU 42 1HG GLU 42 9.229 -4.198 -4.159 314 HG3 GLU 42 2HG GLU 42 9.782 -5.011 -2.696 315 H ASP 43 H ASP 43 5.853 -6.772 -4.184 316 HA ASP 43 HA ASP 43 3.062 -6.202 -3.496 317 HB2 ASP 43 1HB ASP 43 2.678 -8.538 -4.394 318 HB3 ASP 43 2HB ASP 43 3.256 -7.360 -5.569 319 H GLY 44 H GLY 44 4.738 -6.115 -1.329 320 HA2 GLY 44 1HA GLY 44 5.179 -7.055 0.730 321 HA3 GLY 44 2HA GLY 44 3.542 -7.673 0.566 322 H ASP 45 H ASP 45 4.339 -9.467 1.865 323 HA ASP 45 HA ASP 45 5.818 -11.429 0.236 324 HB2 ASP 45 1HB ASP 45 6.014 -10.712 3.118 325 HB3 ASP 45 2HB ASP 45 6.204 -12.411 2.692 326 H MET 46 H MET 46 2.859 -10.785 0.648 327 HA MET 46 HA MET 46 2.046 -13.553 1.214 328 HB2 MET 46 1HB MET 46 0.211 -11.303 1.919 329 HB3 MET 46 2HB MET 46 0.292 -12.928 2.586 330 HG2 MET 46 1HG MET 46 2.648 -12.059 3.427 331 HG3 MET 46 2HG MET 46 1.833 -10.502 3.296 332 HE1 MET 46 1HE MET 46 0.650 -10.223 6.722 333 HE2 MET 46 2HE MET 46 2.337 -10.455 6.262 334 HE3 MET 46 3HE MET 46 1.260 -9.517 5.225 335 H GLU 47 H GLU 47 -0.336 -13.854 0.442 336 HA GLU 47 HA GLU 47 -0.358 -13.183 -2.359 337 HB2 GLU 47 1HB GLU 47 -2.277 -14.762 -0.642 338 HB3 GLU 47 2HB GLU 47 -2.464 -14.547 -2.377 339 HG2 GLU 47 1HG GLU 47 0.004 -15.743 -1.161 340 HG3 GLU 47 2HG GLU 47 -1.406 -16.707 -1.598 341 H ASP 48 H ASP 48 -1.846 -12.011 0.528 342 HA ASP 48 HA ASP 48 -3.451 -10.144 -1.089 343 HB2 ASP 48 1HB ASP 48 -4.968 -10.123 1.034 344 HB3 ASP 48 2HB ASP 48 -5.123 -11.439 -0.126 345 H TRP 49 H TRP 49 -0.952 -9.405 -0.513 346 HA TRP 49 HA TRP 49 -1.361 -7.167 1.271 347 HB2 TRP 49 1HB TRP 49 0.674 -9.317 1.857 348 HB3 TRP 49 2HB TRP 49 0.808 -7.684 2.504 349 HD1 TRP 49 HD TRP 49 -1.625 -10.694 2.616 350 HE1 TRP 49 1HE TRP 49 -2.870 -10.626 4.868 351 HE3 TRP 49 3HE TRP 49 0.221 -6.285 4.433 352 HZ2 TRP 49 2HZ TRP 49 -3.047 -8.929 7.116 353 HZ3 TRP 49 3HZ TRP 49 -0.538 -5.510 6.641 354 HH2 TRP 49 HH TRP 49 -2.139 -6.805 7.953 355 H VAL 50 H VAL 50 0.335 -5.559 1.103 356 HA VAL 50 HA VAL 50 2.205 -5.915 -1.119 357 HB VAL 50 HB VAL 50 1.568 -3.544 -1.878 358 HG11 VAL 50 1HG1 VAL 50 1.151 -5.252 -3.399 359 HG12 VAL 50 2HG1 VAL 50 -0.052 -6.018 -2.360 360 HG13 VAL 50 3HG1 VAL 50 -0.434 -4.509 -3.189 361 HG21 VAL 50 1HG2 VAL 50 -1.194 -4.058 -1.015 362 HG22 VAL 50 2HG2 VAL 50 -0.083 -3.590 0.272 363 HG23 VAL 50 3HG2 VAL 50 -0.303 -2.540 -1.128 364 H LYS 51 H LYS 51 3.841 -4.196 -1.217 365 HA LYS 51 HA LYS 51 4.416 -3.155 1.474 366 HB2 LYS 51 1HB LYS 51 5.987 -4.817 0.210 367 HB3 LYS 51 2HB LYS 51 6.477 -3.389 -0.692 368 HG2 LYS 51 1HG LYS 51 7.170 -2.298 1.360 369 HG3 LYS 51 2HG LYS 51 6.618 -3.685 2.302 370 HD2 LYS 51 1HD LYS 51 8.248 -4.968 0.638 371 HD3 LYS 51 2HD LYS 51 9.021 -3.382 0.583 372 HE2 LYS 51 1HE LYS 51 10.130 -4.264 2.365 373 HE3 LYS 51 2HE LYS 51 8.747 -3.573 3.212 374 HZ1 LYS 51 1HZ LYS 51 8.535 -6.324 2.231 375 HZ2 LYS 51 2HZ LYS 51 7.849 -5.613 3.604 376 HZ3 LYS 51 3HZ LYS 51 9.485 -6.042 3.602 377 H ALA 52 H ALA 52 4.080 -1.055 1.727 378 HA ALA 52 HA ALA 52 4.609 0.739 -0.552 379 HB1 ALA 52 1HB ALA 52 2.792 2.136 0.907 380 HB2 ALA 52 2HB ALA 52 2.400 1.135 -0.492 381 HB3 ALA 52 3HB ALA 52 2.224 0.482 1.136 382 H ARG 53 H ARG 53 5.330 2.874 -0.014 383 HA ARG 53 HA ARG 53 6.583 3.041 2.649 384 HB2 ARG 53 1HB ARG 53 8.318 2.742 1.026 385 HB3 ARG 53 2HB ARG 53 7.616 3.956 -0.035 386 HG2 ARG 53 1HG ARG 53 8.025 5.548 1.994 387 HG3 ARG 53 2HG ARG 53 9.187 4.308 2.471 388 HD2 ARG 53 1HD ARG 53 10.285 6.030 1.164 389 HD3 ARG 53 2HD ARG 53 10.275 4.505 0.279 390 HE ARG 53 HE ARG 53 9.018 5.509 -1.340 391 HH11 ARG 53 2HH1 ARG 53 8.819 7.407 1.572 392 HH12 ARG 53 1HH1 ARG 53 7.940 8.700 0.825 393 HH21 ARG 53 2HH2 ARG 53 7.861 7.205 -2.335 394 HH22 ARG 53 1HH2 ARG 53 7.395 8.583 -1.397 395 H ASN 54 H ASN 54 5.772 4.602 3.868 396 HA ASN 54 HA ASN 54 4.060 6.626 2.791 397 HB2 ASN 54 1HB ASN 54 4.270 7.471 5.268 398 HB3 ASN 54 2HB ASN 54 3.379 5.994 4.912 399 HD21 ASN 54 1HD2 ASN 54 3.847 5.681 7.242 400 HD22 ASN 54 2HD2 ASN 54 5.325 4.892 7.665 401 H LYS 55 H LYS 55 4.519 8.928 4.018 402 HA LYS 55 HA LYS 55 6.597 10.108 2.531 403 HB2 LYS 55 1HB LYS 55 6.076 12.149 3.735 404 HB3 LYS 55 2HB LYS 55 4.586 11.322 3.301 405 HG2 LYS 55 1HG LYS 55 4.094 11.854 5.448 406 HG3 LYS 55 2HG LYS 55 4.881 10.298 5.723 407 HD2 LYS 55 1HD LYS 55 5.863 11.737 7.290 408 HD3 LYS 55 2HD LYS 55 7.043 11.643 5.980 409 HE2 LYS 55 1HE LYS 55 6.088 13.752 5.062 410 HE3 LYS 55 2HE LYS 55 5.065 13.860 6.494 411 HZ1 LYS 55 1HZ LYS 55 7.905 14.376 6.203 412 HZ2 LYS 55 2HZ LYS 55 7.461 13.553 7.611 413 HZ3 LYS 55 3HZ LYS 55 6.782 15.063 7.266 414 H VAL 56 H VAL 56 6.388 9.094 5.909 415 HA VAL 56 HA VAL 56 8.827 10.181 6.785 416 HB VAL 56 HB VAL 56 8.717 8.351 8.545 417 HG11 VAL 56 1HG1 VAL 56 6.981 9.439 9.751 418 HG12 VAL 56 2HG1 VAL 56 7.746 10.663 8.736 419 HG13 VAL 56 3HG1 VAL 56 6.194 9.970 8.266 420 HG21 VAL 56 1HG2 VAL 56 6.929 7.231 6.691 421 HG22 VAL 56 2HG2 VAL 56 7.337 6.627 8.297 422 HG23 VAL 56 3HG2 VAL 56 5.961 7.709 8.086 423 H GLY 57 H GLY 57 8.241 7.718 4.569 424 HA2 GLY 57 1HA GLY 57 9.905 6.643 3.306 425 HA3 GLY 57 2HA GLY 57 11.068 7.000 4.574 426 H GLN 58 H GLN 58 8.626 5.883 6.308 427 HA GLN 58 HA GLN 58 9.811 3.415 6.896 428 HB2 GLN 58 1HB GLN 58 7.249 4.754 7.583 429 HB3 GLN 58 2HB GLN 58 7.342 3.018 7.847 430 HG2 GLN 58 1HG GLN 58 9.557 4.703 8.873 431 HG3 GLN 58 2HG GLN 58 8.009 4.758 9.713 432 HE21 GLN 58 1HE2 GLN 58 10.714 3.648 10.402 433 HE22 GLN 58 2HE2 GLN 58 10.400 2.024 10.901 434 H VAL 59 H VAL 59 9.292 1.305 6.369 435 HA VAL 59 HA VAL 59 7.367 0.932 4.174 436 HB VAL 59 HB VAL 59 10.027 -0.484 4.342 437 HG11 VAL 59 1HG1 VAL 59 7.807 -1.335 3.101 438 HG12 VAL 59 2HG1 VAL 59 8.482 -0.314 1.830 439 HG13 VAL 59 3HG1 VAL 59 9.433 -1.644 2.493 440 HG21 VAL 59 1HG2 VAL 59 9.694 2.154 3.680 441 HG22 VAL 59 2HG2 VAL 59 11.024 1.126 3.146 442 HG23 VAL 59 3HG2 VAL 59 9.615 1.354 2.110 443 H GLY 60 H GLY 60 5.963 -0.687 4.469 444 HA2 GLY 60 1HA GLY 60 6.659 -2.985 6.101 445 HA3 GLY 60 2HA GLY 60 5.403 -1.952 6.767 446 H TYR 61 H TYR 61 4.669 -4.455 6.352 447 HA TYR 61 HA TYR 61 3.514 -4.743 3.700 448 HB2 TYR 61 1HB TYR 61 3.405 -6.548 6.125 449 HB3 TYR 61 2HB TYR 61 2.737 -6.943 4.546 450 HD1 TYR 61 2HD TYR 61 4.681 -6.307 2.616 451 HD2 TYR 61 1HD TYR 61 5.320 -7.742 6.570 452 HE1 TYR 61 2HE TYR 61 6.854 -7.228 1.924 453 HE2 TYR 61 1HE TYR 61 7.496 -8.666 5.889 454 HH TYR 61 HH TYR 61 8.460 -8.848 2.581 455 H VAL 62 H VAL 62 1.537 -4.097 3.185 456 HA VAL 62 HA VAL 62 -0.474 -3.832 5.318 457 HB VAL 62 HB VAL 62 -1.351 -1.808 4.226 458 HG11 VAL 62 1HG1 VAL 62 0.016 -0.429 5.391 459 HG12 VAL 62 2HG1 VAL 62 0.677 -1.958 5.974 460 HG13 VAL 62 3HG1 VAL 62 1.481 -1.090 4.666 461 HG21 VAL 62 1HG2 VAL 62 -0.410 -2.373 1.967 462 HG22 VAL 62 2HG2 VAL 62 -0.197 -0.695 2.466 463 HG23 VAL 62 3HG2 VAL 62 1.157 -1.821 2.558 464 HA PRO 63 HA PRO 63 -3.142 -6.125 2.686 465 HB2 PRO 63 1HB PRO 63 -5.555 -5.167 3.480 466 HB3 PRO 63 2HB PRO 63 -4.578 -6.253 4.475 467 HG2 PRO 63 1HG PRO 63 -4.856 -3.277 4.633 468 HG3 PRO 63 2HG PRO 63 -4.825 -4.468 5.945 469 HD2 PRO 63 1HD PRO 63 -2.663 -2.983 5.274 470 HD3 PRO 63 2HD PRO 63 -2.526 -4.636 5.907 471 H GLU 64 H GLU 64 -3.921 -5.958 0.659 472 HA GLU 64 HA GLU 64 -3.995 -3.348 -0.579 473 HB2 GLU 64 1HB GLU 64 -3.104 -5.629 -1.542 474 HB3 GLU 64 2HB GLU 64 -4.784 -5.854 -2.008 475 HG2 GLU 64 1HG GLU 64 -4.745 -3.865 -3.341 476 HG3 GLU 64 2HG GLU 64 -3.131 -3.458 -2.763 477 H LYS 65 H LYS 65 -6.103 -4.457 1.376 478 HA LYS 65 HA LYS 65 -8.487 -4.210 -0.310 479 HB2 LYS 65 1HB LYS 65 -9.706 -5.245 1.399 480 HB3 LYS 65 2HB LYS 65 -8.159 -6.080 1.428 481 HG2 LYS 65 1HG LYS 65 -7.590 -4.228 3.220 482 HG3 LYS 65 2HG LYS 65 -9.346 -4.209 3.402 483 HD2 LYS 65 1HD LYS 65 -7.876 -6.813 3.402 484 HD3 LYS 65 2HD LYS 65 -7.903 -5.819 4.860 485 HE2 LYS 65 1HE LYS 65 -9.702 -7.450 4.910 486 HE3 LYS 65 2HE LYS 65 -10.355 -5.816 4.800 487 HZ1 LYS 65 1HZ LYS 65 -9.903 -7.160 2.270 488 HZ2 LYS 65 2HZ LYS 65 -11.202 -6.199 2.769 489 HZ3 LYS 65 3HZ LYS 65 -11.126 -7.824 3.233 490 H TYR 66 H TYR 66 -6.625 -2.512 2.048 491 HA TYR 66 HA TYR 66 -8.756 -0.545 2.460 492 HB2 TYR 66 1HB TYR 66 -6.078 -0.881 3.824 493 HB3 TYR 66 2HB TYR 66 -7.242 0.383 4.203 494 HD1 TYR 66 1HD TYR 66 -9.767 -1.224 4.050 495 HD2 TYR 66 2HD TYR 66 -6.004 -2.090 5.838 496 HE1 TYR 66 1HE TYR 66 -10.879 -2.724 5.652 497 HE2 TYR 66 2HE TYR 66 -7.106 -3.592 7.443 498 HH TYR 66 HH TYR 66 -9.094 -4.820 7.751 499 H LEU 67 H LEU 67 -6.209 -1.091 0.407 500 HA LEU 67 HA LEU 67 -5.488 1.725 0.109 501 HB2 LEU 67 1HB LEU 67 -4.416 -0.787 -1.160 502 HB3 LEU 67 2HB LEU 67 -3.866 0.834 -1.578 503 HG LEU 67 HG LEU 67 -3.645 -0.367 1.179 504 HD11 LEU 67 1HD1 LEU 67 -1.408 -0.916 0.728 505 HD12 LEU 67 2HD1 LEU 67 -1.407 -0.024 -0.793 506 HD13 LEU 67 3HD1 LEU 67 -2.319 -1.527 -0.654 507 HD21 LEU 67 1HD2 LEU 67 -2.006 1.481 1.476 508 HD22 LEU 67 2HD2 LEU 67 -3.666 2.029 1.242 509 HD23 LEU 67 3HD2 LEU 67 -2.510 2.121 -0.088 510 H GLN 68 H GLN 68 -5.951 2.940 -1.679 511 HA GLN 68 HA GLN 68 -7.932 1.793 -3.520 512 HB2 GLN 68 1HB GLN 68 -8.555 3.802 -2.136 513 HB3 GLN 68 2HB GLN 68 -7.349 4.715 -3.033 514 HG2 GLN 68 1HG GLN 68 -9.438 5.180 -4.024 515 HG3 GLN 68 2HG GLN 68 -8.582 4.103 -5.126 516 HE21 GLN 68 1HE2 GLN 68 -10.946 3.986 -5.820 517 HE22 GLN 68 2HE2 GLN 68 -11.873 2.700 -5.134 518 H PHE 69 H PHE 69 -6.548 0.845 -5.010 519 HA PHE 69 HA PHE 69 -4.337 2.208 -6.169 520 HB2 PHE 69 1HB PHE 69 -5.857 -0.288 -6.894 521 HB3 PHE 69 2HB PHE 69 -4.570 0.333 -7.923 522 HD1 PHE 69 1HD PHE 69 -5.028 -0.151 -4.248 523 HD2 PHE 69 2HD PHE 69 -2.609 -0.818 -7.686 524 HE1 PHE 69 1HE PHE 69 -3.363 -1.302 -2.849 525 HE2 PHE 69 2HE PHE 69 -0.941 -1.970 -6.293 526 HZ PHE 69 HZ PHE 69 -1.316 -2.214 -3.871 527 HA PRO 70 HA PRO 70 -6.200 4.626 -9.321 528 HB2 PRO 70 1HB PRO 70 -4.377 4.413 -11.321 529 HB3 PRO 70 2HB PRO 70 -4.087 5.355 -9.854 530 HG2 PRO 70 1HG PRO 70 -3.166 2.591 -10.544 531 HG3 PRO 70 2HG PRO 70 -2.265 3.911 -9.776 532 HD2 PRO 70 1HD PRO 70 -3.330 1.861 -8.364 533 HD3 PRO 70 2HD PRO 70 -3.185 3.502 -7.703 534 H THR 71 H THR 71 -8.026 3.890 -10.231 535 HA THR 71 HA THR 71 -8.592 1.453 -11.310 536 HB THR 71 HB THR 71 -10.375 2.534 -12.637 537 HG1 THR 71 1HG THR 71 -10.075 4.529 -13.250 538 HG21 THR 71 1HG2 THR 71 -10.230 2.341 -9.956 539 HG22 THR 71 2HG2 THR 71 -11.642 2.967 -10.807 540 HG23 THR 71 3HG2 THR 71 -10.460 4.081 -10.120 541 H SER 72 H SER 72 -7.065 4.186 -12.935 542 HA SER 72 HA SER 72 -6.416 2.389 -15.177 543 HB2 SER 72 1HB SER 72 -7.430 5.214 -15.232 544 HB3 SER 72 2HB SER 72 -6.405 4.620 -16.539 545 HG SER 72 HG SER 72 -7.972 3.352 -17.211 546 H SER 73 H SER 73 -4.428 1.958 -14.076 547 HA SER 73 HA SER 73 -2.558 3.562 -13.030 548 HB2 SER 73 1HB SER 73 -0.812 2.078 -14.025 549 HB3 SER 73 2HB SER 73 -2.151 1.189 -13.300 550 HG SER 73 HG SER 73 -2.998 1.331 -15.618 551 H GLY 74 H GLY 74 -3.413 3.422 -16.428 552 HA2 GLY 74 1HA GLY 74 -2.351 6.011 -16.927 553 HA3 GLY 74 2HA GLY 74 -1.284 4.775 -17.577 554 HA PRO 75 HA PRO 75 -5.169 5.680 -20.281 555 HB2 PRO 75 1HB PRO 75 -4.282 7.735 -21.817 556 HB3 PRO 75 2HB PRO 75 -5.178 7.977 -20.312 557 HG2 PRO 75 1HG PRO 75 -2.228 8.112 -20.803 558 HG3 PRO 75 2HG PRO 75 -3.252 9.190 -19.837 559 HD2 PRO 75 1HD PRO 75 -1.719 7.254 -18.726 560 HD3 PRO 75 2HD PRO 75 -3.274 7.758 -18.031 561 H SER 76 H SER 76 -4.975 3.961 -21.591 562 HA SER 76 HA SER 76 -2.754 3.948 -23.528 563 HB2 SER 76 1HB SER 76 -4.096 1.588 -22.189 564 HB3 SER 76 2HB SER 76 -2.929 1.456 -23.505 565 HG SER 76 HG SER 76 -1.459 2.629 -22.094 566 H SER 77 H SER 77 -4.345 5.250 -24.779 567 HA SER 77 HA SER 77 -6.468 3.619 -25.984 568 HB2 SER 77 1HB SER 77 -6.789 6.039 -24.992 569 HB3 SER 77 2HB SER 77 -6.145 6.541 -26.555 570 HG SER 77 HG SER 77 -8.581 6.087 -26.149 571 H GLY 78 H GLY 78 -5.832 2.547 -27.738 572 HA2 GLY 78 1HA GLY 78 -5.368 3.259 -30.184 573 HA3 GLY 78 2HA GLY 78 -3.831 3.777 -29.507 Start of MODEL 16 1 H1 GLY 1 H GLY 1 2.403 2.002 -24.533 2 HA2 GLY 1 1HA GLY 1 3.796 1.480 -22.268 3 HA3 GLY 1 2HA GLY 1 2.155 1.684 -21.675 4 H SER 2 H SER 2 2.406 -0.557 -20.974 5 HA SER 2 HA SER 2 2.708 -2.666 -22.850 6 HB2 SER 2 1HB SER 2 2.128 -4.141 -21.040 7 HB3 SER 2 2HB SER 2 3.123 -2.846 -20.375 8 HG SER 2 HG SER 2 0.662 -3.568 -19.667 9 H SER 3 H SER 3 1.052 -4.290 -23.349 10 HA SER 3 HA SER 3 -1.255 -3.085 -24.471 11 HB2 SER 3 1HB SER 3 -0.629 -6.020 -24.065 12 HB3 SER 3 2HB SER 3 -1.885 -5.375 -25.121 13 HG SER 3 HG SER 3 -0.178 -5.675 -26.439 14 H GLY 4 H GLY 4 -0.847 -5.380 -21.775 15 HA2 GLY 4 1HA GLY 4 -2.171 -4.796 -19.741 16 HA3 GLY 4 2HA GLY 4 -3.529 -4.568 -20.833 17 H SER 5 H SER 5 -2.337 -6.606 -18.616 18 HA SER 5 HA SER 5 -2.821 -9.120 -19.940 19 HB2 SER 5 1HB SER 5 -2.243 -8.380 -17.069 20 HB3 SER 5 2HB SER 5 -2.550 -10.038 -17.585 21 HG SER 5 HG SER 5 -0.336 -9.645 -17.600 22 H SER 6 H SER 6 -4.389 -10.700 -19.043 23 HA SER 6 HA SER 6 -6.970 -9.386 -18.666 24 HB2 SER 6 1HB SER 6 -6.688 -11.118 -20.446 25 HB3 SER 6 2HB SER 6 -6.391 -12.312 -19.183 26 HG SER 6 HG SER 6 -8.571 -12.329 -19.804 27 H GLY 7 H GLY 7 -7.672 -9.082 -16.664 28 HA2 GLY 7 1HA GLY 7 -8.571 -10.336 -14.712 29 HA3 GLY 7 2HA GLY 7 -7.001 -11.122 -14.632 30 H THR 8 H THR 8 -5.129 -9.418 -14.549 31 HA THR 8 HA THR 8 -5.879 -7.199 -12.778 32 HB THR 8 HB THR 8 -5.131 -9.112 -11.377 33 HG1 THR 8 1HG THR 8 -4.484 -7.511 -10.166 34 HG21 THR 8 1HG2 THR 8 -2.326 -8.935 -11.829 35 HG22 THR 8 2HG2 THR 8 -3.110 -9.302 -13.365 36 HG23 THR 8 3HG2 THR 8 -3.374 -10.345 -11.968 37 H LEU 9 H LEU 9 -4.406 -5.452 -12.737 38 HA LEU 9 HA LEU 9 -2.134 -5.519 -14.553 39 HB2 LEU 9 1HB LEU 9 -4.190 -4.868 -15.862 40 HB3 LEU 9 2HB LEU 9 -4.265 -3.416 -14.865 41 HG LEU 9 HG LEU 9 -1.954 -4.147 -16.662 42 HD11 LEU 9 1HD1 LEU 9 -4.481 -2.707 -17.151 43 HD12 LEU 9 2HD1 LEU 9 -3.435 -3.585 -18.268 44 HD13 LEU 9 3HD1 LEU 9 -3.014 -1.946 -17.769 45 HD21 LEU 9 1HD2 LEU 9 -1.828 -1.474 -16.219 46 HD22 LEU 9 2HD2 LEU 9 -0.920 -2.682 -15.309 47 HD23 LEU 9 3HD2 LEU 9 -2.436 -2.048 -14.666 48 H ARG 10 H ARG 10 -0.502 -4.657 -13.471 49 HA ARG 10 HA ARG 10 -0.758 -2.110 -12.158 50 HB2 ARG 10 1HB ARG 10 0.227 -3.086 -9.989 51 HB3 ARG 10 2HB ARG 10 -1.496 -3.289 -10.277 52 HG2 ARG 10 1HG ARG 10 -0.859 -5.570 -11.264 53 HG3 ARG 10 2HG ARG 10 0.690 -5.325 -10.455 54 HD2 ARG 10 1HD ARG 10 -0.387 -5.157 -8.318 55 HD3 ARG 10 2HD ARG 10 -1.981 -5.178 -9.070 56 HE ARG 10 HE ARG 10 -0.780 -7.518 -9.852 57 HH11 ARG 10 2HH1 ARG 10 -1.587 -6.005 -6.822 58 HH12 ARG 10 1HH1 ARG 10 -1.810 -7.505 -5.983 59 HH21 ARG 10 2HH2 ARG 10 -1.070 -9.499 -8.758 60 HH22 ARG 10 1HH2 ARG 10 -1.515 -9.491 -7.085 61 H ASN 11 H ASN 11 0.994 -1.067 -12.809 62 HA ASN 11 HA ASN 11 3.501 -2.578 -13.129 63 HB2 ASN 11 1HB ASN 11 2.617 -1.600 -15.218 64 HB3 ASN 11 2HB ASN 11 2.667 -0.002 -14.481 65 HD21 ASN 11 1HD2 ASN 11 4.005 0.404 -16.411 66 HD22 ASN 11 2HD2 ASN 11 5.701 0.095 -16.303 67 H TYR 12 H TYR 12 3.977 -2.305 -10.874 68 HA TYR 12 HA TYR 12 4.077 0.042 -9.444 69 HB2 TYR 12 1HB TYR 12 6.168 -2.132 -9.270 70 HB3 TYR 12 2HB TYR 12 5.671 -1.025 -7.995 71 HD1 TYR 12 2HD TYR 12 2.707 -1.182 -8.309 72 HD2 TYR 12 1HD TYR 12 5.676 -4.230 -8.350 73 HE1 TYR 12 2HE TYR 12 1.035 -2.814 -7.540 74 HE2 TYR 12 1HE TYR 12 4.011 -5.870 -7.583 75 HH TYR 12 HH TYR 12 1.839 -6.243 -7.189 76 HA PRO 13 HA PRO 13 5.507 0.951 -7.832 77 HB2 PRO 13 1HB PRO 13 5.694 3.648 -7.577 78 HB3 PRO 13 2HB PRO 13 7.059 2.560 -7.300 79 HG2 PRO 13 1HG PRO 13 6.395 4.188 -9.723 80 HG3 PRO 13 2HG PRO 13 7.966 3.940 -8.937 81 HD2 PRO 13 1HD PRO 13 7.225 2.597 -11.169 82 HD3 PRO 13 2HD PRO 13 8.280 1.885 -9.932 83 H LEU 14 H LEU 14 3.580 1.910 -6.947 84 HA LEU 14 HA LEU 14 1.791 3.225 -8.849 85 HB2 LEU 14 1HB LEU 14 1.291 0.611 -7.471 86 HB3 LEU 14 2HB LEU 14 -0.045 1.657 -7.946 87 HG LEU 14 HG LEU 14 2.008 0.601 -9.882 88 HD11 LEU 14 1HD1 LEU 14 0.742 -1.229 -8.784 89 HD12 LEU 14 2HD1 LEU 14 0.430 -1.091 -10.514 90 HD13 LEU 14 3HD1 LEU 14 -0.752 -0.485 -9.355 91 HD21 LEU 14 1HD2 LEU 14 0.796 1.577 -11.530 92 HD22 LEU 14 2HD2 LEU 14 0.389 2.693 -10.226 93 HD23 LEU 14 3HD2 LEU 14 -0.732 1.403 -10.665 94 H THR 15 H THR 15 1.003 4.976 -7.908 95 HA THR 15 HA THR 15 1.138 5.323 -5.051 96 HB THR 15 HB THR 15 -0.154 7.202 -7.029 97 HG1 THR 15 1HG THR 15 1.787 7.505 -7.798 98 HG21 THR 15 1HG2 THR 15 -0.533 7.617 -4.612 99 HG22 THR 15 2HG2 THR 15 0.381 8.905 -5.397 100 HG23 THR 15 3HG2 THR 15 1.213 7.723 -4.387 101 H CYS 16 H CYS 16 -0.395 4.738 -3.674 102 HA CYS 16 HA CYS 16 -3.148 4.441 -4.672 103 HB2 CYS 16 1HB CYS 16 -3.442 2.920 -2.679 104 HB3 CYS 16 2HB CYS 16 -2.337 2.328 -3.914 105 HG CYS 16 HG CYS 16 -0.417 1.875 -2.286 106 H LYS 17 H LYS 17 -4.769 4.600 -2.726 107 HA LYS 17 HA LYS 17 -4.058 6.921 -1.066 108 HB2 LYS 17 1HB LYS 17 -5.379 7.722 -2.960 109 HB3 LYS 17 2HB LYS 17 -6.632 6.540 -2.606 110 HG2 LYS 17 1HG LYS 17 -7.373 8.639 -1.786 111 HG3 LYS 17 2HG LYS 17 -6.941 7.650 -0.389 112 HD2 LYS 17 1HD LYS 17 -5.038 8.887 0.061 113 HD3 LYS 17 2HD LYS 17 -4.913 9.487 -1.594 114 HE2 LYS 17 1HE LYS 17 -7.166 10.250 0.246 115 HE3 LYS 17 2HE LYS 17 -5.655 11.154 0.170 116 HZ1 LYS 17 1HZ LYS 17 -6.049 11.529 -2.190 117 HZ2 LYS 17 2HZ LYS 17 -7.323 12.138 -1.258 118 HZ3 LYS 17 3HZ LYS 17 -7.511 10.682 -2.100 119 H VAL 18 H VAL 18 -4.037 6.104 0.934 120 HA VAL 18 HA VAL 18 -5.458 3.878 1.841 121 HB VAL 18 HB VAL 18 -4.302 6.205 3.374 122 HG11 VAL 18 1HG1 VAL 18 -5.570 5.502 5.081 123 HG12 VAL 18 2HG1 VAL 18 -5.973 3.982 4.280 124 HG13 VAL 18 3HG1 VAL 18 -4.451 4.141 5.156 125 HG21 VAL 18 1HG2 VAL 18 -3.320 3.376 3.016 126 HG22 VAL 18 2HG2 VAL 18 -2.713 4.779 2.137 127 HG23 VAL 18 3HG2 VAL 18 -2.498 4.672 3.884 128 H VAL 19 H VAL 19 -7.624 3.813 1.564 129 HA VAL 19 HA VAL 19 -9.257 6.103 2.342 130 HB VAL 19 HB VAL 19 -11.145 4.539 1.526 131 HG11 VAL 19 1HG1 VAL 19 -11.078 5.821 -0.290 132 HG12 VAL 19 2HG1 VAL 19 -9.499 6.391 0.254 133 HG13 VAL 19 3HG1 VAL 19 -9.610 5.034 -0.867 134 HG21 VAL 19 1HG2 VAL 19 -10.660 2.613 0.427 135 HG22 VAL 19 2HG2 VAL 19 -9.093 3.196 -0.135 136 HG23 VAL 19 3HG2 VAL 19 -9.279 2.629 1.524 137 H TYR 20 H TYR 20 -8.290 3.006 3.508 138 HA TYR 20 HA TYR 20 -10.179 3.279 5.753 139 HB2 TYR 20 1HB TYR 20 -9.301 0.820 4.261 140 HB3 TYR 20 2HB TYR 20 -9.897 0.713 5.914 141 HD1 TYR 20 2HD TYR 20 -10.940 2.509 2.798 142 HD2 TYR 20 1HD TYR 20 -12.086 0.028 6.059 143 HE1 TYR 20 2HE TYR 20 -13.251 2.481 1.957 144 HE2 TYR 20 1HE TYR 20 -14.400 -0.008 5.226 145 HH TYR 20 HH TYR 20 -15.690 0.407 3.356 146 H SER 21 H SER 21 -9.142 3.800 7.549 147 HA SER 21 HA SER 21 -6.364 3.711 7.889 148 HB2 SER 21 1HB SER 21 -6.732 4.565 10.024 149 HB3 SER 21 2HB SER 21 -8.203 5.050 9.181 150 HG SER 21 HG SER 21 -9.038 4.096 10.899 151 H TYR 22 H TYR 22 -5.063 2.419 9.276 152 HA TYR 22 HA TYR 22 -6.124 -0.052 10.329 153 HB2 TYR 22 1HB TYR 22 -5.839 -0.872 8.137 154 HB3 TYR 22 2HB TYR 22 -4.330 0.005 7.912 155 HD1 TYR 22 1HD TYR 22 -2.267 -0.780 9.079 156 HD2 TYR 22 2HD TYR 22 -5.867 -3.047 9.092 157 HE1 TYR 22 1HE TYR 22 -1.000 -2.776 9.757 158 HE2 TYR 22 2HE TYR 22 -4.611 -5.050 9.771 159 HH TYR 22 HH TYR 22 -2.460 -5.568 10.931 160 H LYS 23 H LYS 23 -5.176 -0.265 12.233 161 HA LYS 23 HA LYS 23 -2.619 1.014 12.751 162 HB2 LYS 23 1HB LYS 23 -4.775 0.906 14.281 163 HB3 LYS 23 2HB LYS 23 -4.055 -0.610 14.806 164 HG2 LYS 23 1HG LYS 23 -1.915 0.888 15.101 165 HG3 LYS 23 2HG LYS 23 -3.113 2.180 15.206 166 HD2 LYS 23 1HD LYS 23 -2.884 1.547 17.419 167 HD3 LYS 23 2HD LYS 23 -4.282 0.599 16.907 168 HE2 LYS 23 1HE LYS 23 -2.712 -1.294 16.438 169 HE3 LYS 23 2HE LYS 23 -1.431 -0.339 17.182 170 HZ1 LYS 23 1HZ LYS 23 -2.753 -2.044 18.589 171 HZ2 LYS 23 2HZ LYS 23 -3.923 -0.826 18.665 172 HZ3 LYS 23 3HZ LYS 23 -2.365 -0.538 19.256 173 H ALA 24 H ALA 24 -0.830 -0.066 12.251 174 HA ALA 24 HA ALA 24 -0.672 -2.845 11.848 175 HB1 ALA 24 1HB ALA 24 0.878 -1.196 10.855 176 HB2 ALA 24 2HB ALA 24 1.598 -0.953 12.447 177 HB3 ALA 24 3HB ALA 24 1.712 -2.526 11.659 178 H SER 25 H SER 25 -0.436 -4.491 13.214 179 HA SER 25 HA SER 25 0.004 -3.896 16.046 180 HB2 SER 25 1HB SER 25 -1.232 -6.190 14.559 181 HB3 SER 25 2HB SER 25 -0.652 -6.425 16.208 182 HG SER 25 HG SER 25 -2.686 -4.707 15.274 183 H GLN 26 H GLN 26 1.391 -5.630 13.346 184 HA GLN 26 HA GLN 26 3.458 -6.809 15.030 185 HB2 GLN 26 1HB GLN 26 2.544 -7.187 12.219 186 HB3 GLN 26 2HB GLN 26 4.212 -7.586 12.605 187 HG2 GLN 26 1HG GLN 26 3.125 -8.929 14.564 188 HG3 GLN 26 2HG GLN 26 1.691 -8.861 13.542 189 HE21 GLN 26 1HE2 GLN 26 1.593 -10.972 12.976 190 HE22 GLN 26 2HE2 GLN 26 2.799 -11.780 12.041 191 HA PRO 27 HA PRO 27 6.487 -3.723 14.267 192 HB2 PRO 27 1HB PRO 27 8.752 -5.217 14.361 193 HB3 PRO 27 2HB PRO 27 7.802 -4.821 15.798 194 HG2 PRO 27 1HG PRO 27 7.821 -7.336 14.173 195 HG3 PRO 27 2HG PRO 27 7.798 -7.143 15.936 196 HD2 PRO 27 1HD PRO 27 5.572 -7.711 14.503 197 HD3 PRO 27 2HD PRO 27 5.529 -6.738 15.988 198 H ASP 28 H ASP 28 6.008 -6.347 12.127 199 HA ASP 28 HA ASP 28 7.881 -5.261 10.152 200 HB2 ASP 28 1HB ASP 28 6.429 -7.880 10.410 201 HB3 ASP 28 2HB ASP 28 7.110 -7.376 8.865 202 H GLU 29 H GLU 29 4.859 -4.620 11.070 203 HA GLU 29 HA GLU 29 3.700 -4.462 8.390 204 HB2 GLU 29 1HB GLU 29 2.604 -4.268 11.166 205 HB3 GLU 29 2HB GLU 29 1.718 -3.523 9.843 206 HG2 GLU 29 1HG GLU 29 1.216 -5.978 10.591 207 HG3 GLU 29 2HG GLU 29 1.175 -5.521 8.889 208 H LEU 30 H LEU 30 2.209 -2.338 8.265 209 HA LEU 30 HA LEU 30 3.870 -0.027 9.006 210 HB2 LEU 30 1HB LEU 30 3.954 -0.909 6.530 211 HB3 LEU 30 2HB LEU 30 2.423 -0.047 6.400 212 HG LEU 30 HG LEU 30 4.251 1.325 5.590 213 HD11 LEU 30 1HD1 LEU 30 3.124 2.266 8.222 214 HD12 LEU 30 2HD1 LEU 30 2.402 2.475 6.626 215 HD13 LEU 30 3HD1 LEU 30 3.908 3.300 7.028 216 HD21 LEU 30 1HD2 LEU 30 6.066 2.032 6.995 217 HD22 LEU 30 2HD2 LEU 30 6.020 0.269 6.976 218 HD23 LEU 30 3HD2 LEU 30 5.401 1.152 8.372 219 H THR 31 H THR 31 2.714 1.249 10.277 220 HA THR 31 HA THR 31 -0.100 1.097 10.530 221 HB THR 31 HB THR 31 1.729 3.316 11.469 222 HG1 THR 31 1HG THR 31 2.455 1.533 12.496 223 HG21 THR 31 1HG2 THR 31 -0.887 2.477 12.689 224 HG22 THR 31 2HG2 THR 31 -0.806 3.691 11.412 225 HG23 THR 31 3HG2 THR 31 0.022 3.966 12.944 226 H ILE 32 H ILE 32 -1.520 1.801 9.085 227 HA ILE 32 HA ILE 32 -0.898 4.258 7.581 228 HB ILE 32 HB ILE 32 -2.332 3.460 5.795 229 HG12 ILE 32 1HG1 ILE 32 -2.617 0.853 7.287 230 HG13 ILE 32 2HG1 ILE 32 -3.821 2.133 7.392 231 HG21 ILE 32 1HG2 ILE 32 -0.332 2.698 5.131 232 HG22 ILE 32 2HG2 ILE 32 0.027 1.986 6.704 233 HG23 ILE 32 3HG2 ILE 32 -0.974 1.109 5.547 234 HD11 ILE 32 1HD1 ILE 32 -4.488 0.478 5.771 235 HD12 ILE 32 2HD1 ILE 32 -4.133 2.005 4.961 236 HD13 ILE 32 3HD1 ILE 32 -2.969 0.682 4.898 237 H GLU 33 H GLU 33 -2.661 5.686 7.101 238 HA GLU 33 HA GLU 33 -5.100 5.327 8.667 239 HB2 GLU 33 1HB GLU 33 -3.028 7.406 9.137 240 HB3 GLU 33 2HB GLU 33 -4.709 7.913 9.229 241 HG2 GLU 33 1HG GLU 33 -5.007 5.915 10.816 242 HG3 GLU 33 2HG GLU 33 -3.248 5.934 10.930 243 H GLU 34 H GLU 34 -6.876 6.505 7.910 244 HA GLU 34 HA GLU 34 -7.214 6.813 5.231 245 HB2 GLU 34 1HB GLU 34 -8.951 6.971 7.111 246 HB3 GLU 34 2HB GLU 34 -8.554 8.683 7.175 247 HG2 GLU 34 1HG GLU 34 -9.483 9.119 5.121 248 HG3 GLU 34 2HG GLU 34 -9.294 7.457 4.563 249 H HIS 35 H HIS 35 -7.047 8.442 3.716 250 HA HIS 35 HA HIS 35 -6.292 10.348 2.717 251 HB2 HIS 35 1HB HIS 35 -5.837 11.515 5.461 252 HB3 HIS 35 2HB HIS 35 -6.125 12.375 3.951 253 HD1 HIS 35 1HD HIS 35 -7.816 12.346 6.773 254 HD2 HIS 35 2HD HIS 35 -8.885 10.754 3.087 255 HE1 HIS 35 1HE HIS 35 -10.327 12.215 6.800 256 HE2 HIS 35 2HE HIS 35 -10.946 11.170 4.594 257 H GLU 36 H GLU 36 -4.549 8.200 3.235 258 HA GLU 36 HA GLU 36 -1.995 9.633 3.555 259 HB2 GLU 36 1HB GLU 36 -2.522 8.061 5.441 260 HB3 GLU 36 2HB GLU 36 -2.488 6.743 4.278 261 HG2 GLU 36 1HG GLU 36 -0.180 7.063 3.849 262 HG3 GLU 36 2HG GLU 36 -0.162 8.587 4.735 263 H VAL 37 H VAL 37 -1.274 9.890 1.531 264 HA VAL 37 HA VAL 37 -1.731 7.909 -0.515 265 HB VAL 37 HB VAL 37 -0.066 10.430 -0.600 266 HG11 VAL 37 1HG1 VAL 37 -1.058 8.670 -2.841 267 HG12 VAL 37 2HG1 VAL 37 -0.184 10.192 -3.028 268 HG13 VAL 37 3HG1 VAL 37 0.613 8.801 -2.291 269 HG21 VAL 37 1HG2 VAL 37 -2.234 11.183 -0.276 270 HG22 VAL 37 2HG2 VAL 37 -2.100 11.153 -2.034 271 HG23 VAL 37 3HG2 VAL 37 -2.943 9.853 -1.192 272 H LEU 38 H LEU 38 -0.522 6.153 -0.718 273 HA LEU 38 HA LEU 38 2.309 6.286 0.085 274 HB2 LEU 38 1HB LEU 38 0.629 3.798 -0.098 275 HB3 LEU 38 2HB LEU 38 2.224 3.972 0.631 276 HG LEU 38 HG LEU 38 -0.092 5.488 1.761 277 HD11 LEU 38 1HD1 LEU 38 0.564 2.717 2.690 278 HD12 LEU 38 2HD1 LEU 38 -0.637 2.995 1.429 279 HD13 LEU 38 3HD1 LEU 38 -0.861 3.700 3.030 280 HD21 LEU 38 1HD2 LEU 38 1.534 4.467 3.758 281 HD22 LEU 38 2HD2 LEU 38 1.560 6.110 3.118 282 HD23 LEU 38 3HD2 LEU 38 2.654 4.891 2.463 283 H GLU 39 H GLU 39 3.581 4.416 -1.068 284 HA GLU 39 HA GLU 39 2.820 4.349 -3.908 285 HB2 GLU 39 1HB GLU 39 4.595 6.069 -3.422 286 HB3 GLU 39 2HB GLU 39 5.643 4.752 -2.917 287 HG2 GLU 39 1HG GLU 39 5.715 3.843 -5.092 288 HG3 GLU 39 2HG GLU 39 4.391 4.869 -5.642 289 H VAL 40 H VAL 40 2.293 2.257 -4.155 290 HA VAL 40 HA VAL 40 3.542 0.116 -2.772 291 HB VAL 40 HB VAL 40 1.870 0.019 -5.287 292 HG11 VAL 40 1HG1 VAL 40 3.369 -1.995 -4.071 293 HG12 VAL 40 2HG1 VAL 40 1.704 -2.283 -3.561 294 HG13 VAL 40 3HG1 VAL 40 2.098 -2.193 -5.278 295 HG21 VAL 40 1HG2 VAL 40 0.294 -0.863 -3.241 296 HG22 VAL 40 2HG2 VAL 40 1.208 0.431 -2.465 297 HG23 VAL 40 3HG2 VAL 40 0.261 0.766 -3.915 298 H ILE 41 H ILE 41 5.620 -0.368 -3.084 299 HA ILE 41 HA ILE 41 6.770 -0.168 -5.766 300 HB ILE 41 HB ILE 41 8.940 -0.604 -4.607 301 HG12 ILE 41 1HG1 ILE 41 7.291 -0.279 -2.091 302 HG13 ILE 41 2HG1 ILE 41 7.957 -1.806 -2.660 303 HG21 ILE 41 1HG2 ILE 41 9.203 1.603 -4.312 304 HG22 ILE 41 2HG2 ILE 41 7.527 1.709 -4.846 305 HG23 ILE 41 3HG2 ILE 41 7.904 1.699 -3.123 306 HD11 ILE 41 1HD1 ILE 41 9.650 -1.300 -1.294 307 HD12 ILE 41 2HD1 ILE 41 10.175 -0.253 -2.613 308 HD13 ILE 41 3HD1 ILE 41 9.251 0.417 -1.268 309 H GLU 42 H GLU 42 5.990 -2.512 -3.280 310 HA GLU 42 HA GLU 42 6.688 -4.655 -5.174 311 HB2 GLU 42 1HB GLU 42 7.440 -4.342 -2.313 312 HB3 GLU 42 2HB GLU 42 7.027 -5.958 -2.868 313 HG2 GLU 42 1HG GLU 42 8.724 -5.733 -4.652 314 HG3 GLU 42 2HG GLU 42 9.182 -4.173 -3.972 315 H ASP 43 H ASP 43 5.510 -6.690 -4.772 316 HA ASP 43 HA ASP 43 2.740 -6.101 -4.053 317 HB2 ASP 43 1HB ASP 43 2.098 -7.785 -5.483 318 HB3 ASP 43 2HB ASP 43 3.616 -7.308 -6.237 319 H GLY 44 H GLY 44 4.926 -6.561 -2.073 320 HA2 GLY 44 1HA GLY 44 5.231 -7.657 -0.079 321 HA3 GLY 44 2HA GLY 44 3.502 -7.962 -0.142 322 H ASP 45 H ASP 45 4.509 -9.904 1.069 323 HA ASP 45 HA ASP 45 5.114 -12.005 -0.908 324 HB2 ASP 45 1HB ASP 45 6.064 -11.696 1.941 325 HB3 ASP 45 2HB ASP 45 6.217 -13.200 1.037 326 H MET 46 H MET 46 3.391 -11.188 2.058 327 HA MET 46 HA MET 46 2.116 -13.725 2.331 328 HB2 MET 46 1HB MET 46 2.485 -11.991 4.158 329 HB3 MET 46 2HB MET 46 1.131 -11.109 3.463 330 HG2 MET 46 1HG MET 46 -0.347 -12.970 3.887 331 HG3 MET 46 2HG MET 46 0.999 -13.935 4.485 332 HE1 MET 46 1HE MET 46 1.963 -12.076 7.779 333 HE2 MET 46 2HE MET 46 2.304 -13.439 6.713 334 HE3 MET 46 3HE MET 46 2.652 -11.793 6.180 335 H GLU 47 H GLU 47 -0.175 -14.135 2.098 336 HA GLU 47 HA GLU 47 -1.164 -13.300 -0.430 337 HB2 GLU 47 1HB GLU 47 -3.138 -14.647 0.122 338 HB3 GLU 47 2HB GLU 47 -1.650 -15.519 0.463 339 HG2 GLU 47 1HG GLU 47 -1.899 -14.836 2.855 340 HG3 GLU 47 2HG GLU 47 -3.488 -14.197 2.440 341 H ASP 48 H ASP 48 -2.299 -11.555 -0.933 342 HA ASP 48 HA ASP 48 -3.776 -9.815 -0.793 343 HB2 ASP 48 1HB ASP 48 -4.989 -11.572 0.777 344 HB3 ASP 48 2HB ASP 48 -4.504 -10.439 2.035 345 H TRP 49 H TRP 49 -0.967 -9.817 0.177 346 HA TRP 49 HA TRP 49 -1.134 -7.364 1.797 347 HB2 TRP 49 1HB TRP 49 0.772 -9.683 2.105 348 HB3 TRP 49 2HB TRP 49 1.094 -8.094 2.794 349 HD1 TRP 49 HD TRP 49 -1.050 -11.193 3.287 350 HE1 TRP 49 1HE TRP 49 -2.260 -11.023 5.552 351 HE3 TRP 49 3HE TRP 49 0.117 -6.358 4.470 352 HZ2 TRP 49 2HZ TRP 49 -2.667 -9.094 7.573 353 HZ3 TRP 49 3HZ TRP 49 -0.723 -5.426 6.587 354 HH2 TRP 49 HH TRP 49 -2.086 -6.767 8.104 355 H VAL 50 H VAL 50 0.259 -5.714 1.264 356 HA VAL 50 HA VAL 50 2.120 -6.171 -0.961 357 HB VAL 50 HB VAL 50 1.424 -4.036 -1.998 358 HG11 VAL 50 1HG1 VAL 50 0.505 -5.811 -3.132 359 HG12 VAL 50 2HG1 VAL 50 -0.449 -6.344 -1.747 360 HG13 VAL 50 3HG1 VAL 50 -0.947 -4.925 -2.670 361 HG21 VAL 50 1HG2 VAL 50 -1.172 -3.964 -0.647 362 HG22 VAL 50 2HG2 VAL 50 0.190 -3.524 0.384 363 HG23 VAL 50 3HG2 VAL 50 -0.100 -2.645 -1.117 364 H LYS 51 H LYS 51 3.730 -4.461 -1.202 365 HA LYS 51 HA LYS 51 4.438 -3.327 1.409 366 HB2 LYS 51 1HB LYS 51 5.974 -4.860 -0.090 367 HB3 LYS 51 2HB LYS 51 6.314 -3.347 -0.920 368 HG2 LYS 51 1HG LYS 51 7.211 -2.370 1.047 369 HG3 LYS 51 2HG LYS 51 6.634 -3.704 2.048 370 HD2 LYS 51 1HD LYS 51 8.125 -5.148 0.451 371 HD3 LYS 51 2HD LYS 51 8.934 -3.609 0.144 372 HE2 LYS 51 1HE LYS 51 9.184 -3.361 2.630 373 HE3 LYS 51 2HE LYS 51 8.592 -5.014 2.788 374 HZ1 LYS 51 1HZ LYS 51 10.886 -4.419 1.037 375 HZ2 LYS 51 2HZ LYS 51 10.474 -5.874 1.795 376 HZ3 LYS 51 3HZ LYS 51 11.113 -4.598 2.704 377 H ALA 52 H ALA 52 4.664 -1.178 1.737 378 HA ALA 52 HA ALA 52 4.735 0.656 -0.517 379 HB1 ALA 52 1HB ALA 52 2.832 1.983 0.651 380 HB2 ALA 52 2HB ALA 52 2.428 0.629 -0.405 381 HB3 ALA 52 3HB ALA 52 2.410 0.418 1.345 382 H ARG 53 H ARG 53 5.555 2.687 -0.006 383 HA ARG 53 HA ARG 53 6.631 2.935 2.725 384 HB2 ARG 53 1HB ARG 53 8.271 2.622 0.804 385 HB3 ARG 53 2HB ARG 53 7.786 4.221 0.255 386 HG2 ARG 53 1HG ARG 53 8.396 4.923 2.697 387 HG3 ARG 53 2HG ARG 53 9.349 3.438 2.664 388 HD2 ARG 53 1HD ARG 53 10.855 5.053 1.939 389 HD3 ARG 53 2HD ARG 53 10.273 4.340 0.435 390 HE ARG 53 HE ARG 53 8.760 6.634 1.240 391 HH11 ARG 53 2HH1 ARG 53 11.650 5.572 -0.385 392 HH12 ARG 53 1HH1 ARG 53 11.787 7.002 -1.354 393 HH21 ARG 53 2HH2 ARG 53 8.930 8.521 -0.031 394 HH22 ARG 53 1HH2 ARG 53 10.240 8.679 -1.151 395 H ASN 54 H ASN 54 6.216 4.742 3.868 396 HA ASN 54 HA ASN 54 4.321 6.633 2.747 397 HB2 ASN 54 1HB ASN 54 4.571 7.568 5.198 398 HB3 ASN 54 2HB ASN 54 3.653 6.096 4.892 399 HD21 ASN 54 1HD2 ASN 54 4.002 5.435 7.030 400 HD22 ASN 54 2HD2 ASN 54 5.522 4.790 7.538 401 H LYS 55 H LYS 55 4.767 8.984 3.854 402 HA LYS 55 HA LYS 55 6.849 10.104 2.323 403 HB2 LYS 55 1HB LYS 55 6.278 12.198 3.359 404 HB3 LYS 55 2HB LYS 55 4.792 11.310 3.052 405 HG2 LYS 55 1HG LYS 55 4.365 12.003 5.166 406 HG3 LYS 55 2HG LYS 55 5.204 10.495 5.539 407 HD2 LYS 55 1HD LYS 55 6.200 12.091 6.940 408 HD3 LYS 55 2HD LYS 55 7.336 11.903 5.603 409 HE2 LYS 55 1HE LYS 55 6.397 13.910 4.545 410 HE3 LYS 55 2HE LYS 55 5.289 14.100 5.903 411 HZ1 LYS 55 1HZ LYS 55 7.898 15.049 5.676 412 HZ2 LYS 55 2HZ LYS 55 7.912 13.865 6.884 413 HZ3 LYS 55 3HZ LYS 55 6.857 15.182 7.003 414 H VAL 56 H VAL 56 6.622 9.226 5.733 415 HA VAL 56 HA VAL 56 9.039 10.390 6.584 416 HB VAL 56 HB VAL 56 8.893 8.443 8.344 417 HG11 VAL 56 1HG1 VAL 56 8.432 10.803 8.791 418 HG12 VAL 56 2HG1 VAL 56 6.795 10.604 8.161 419 HG13 VAL 56 3HG1 VAL 56 7.286 9.755 9.627 420 HG21 VAL 56 1HG2 VAL 56 6.952 7.571 6.615 421 HG22 VAL 56 2HG2 VAL 56 7.117 7.079 8.301 422 HG23 VAL 56 3HG2 VAL 56 6.013 8.384 7.867 423 H GLY 57 H GLY 57 8.333 7.422 4.903 424 HA2 GLY 57 1HA GLY 57 10.171 6.517 3.551 425 HA3 GLY 57 2HA GLY 57 11.221 6.796 4.933 426 H GLN 58 H GLN 58 8.729 5.807 6.547 427 HA GLN 58 HA GLN 58 9.695 3.178 6.946 428 HB2 GLN 58 1HB GLN 58 7.378 4.767 7.945 429 HB3 GLN 58 2HB GLN 58 7.349 3.023 8.173 430 HG2 GLN 58 1HG GLN 58 9.780 3.461 9.103 431 HG3 GLN 58 2HG GLN 58 9.118 5.070 9.387 432 HE21 GLN 58 1HE2 GLN 58 7.179 5.223 10.680 433 HE22 GLN 58 2HE2 GLN 58 6.886 4.052 11.916 434 H VAL 59 H VAL 59 9.384 1.465 5.702 435 HA VAL 59 HA VAL 59 6.863 1.260 4.188 436 HB VAL 59 HB VAL 59 8.477 1.620 2.525 437 HG11 VAL 59 1HG1 VAL 59 10.560 -0.018 2.572 438 HG12 VAL 59 2HG1 VAL 59 10.567 1.524 3.430 439 HG13 VAL 59 3HG1 VAL 59 10.241 0.028 4.305 440 HG21 VAL 59 1HG2 VAL 59 7.932 -0.129 1.248 441 HG22 VAL 59 2HG2 VAL 59 8.813 -1.258 2.278 442 HG23 VAL 59 3HG2 VAL 59 7.159 -0.800 2.685 443 H GLY 60 H GLY 60 5.681 -0.497 4.587 444 HA2 GLY 60 1HA GLY 60 7.008 -2.939 5.523 445 HA3 GLY 60 2HA GLY 60 5.754 -2.239 6.535 446 H TYR 61 H TYR 61 4.451 -4.081 6.344 447 HA TYR 61 HA TYR 61 3.391 -4.634 3.659 448 HB2 TYR 61 1HB TYR 61 3.281 -6.281 6.193 449 HB3 TYR 61 2HB TYR 61 2.522 -6.737 4.672 450 HD1 TYR 61 2HD TYR 61 4.529 -6.114 2.678 451 HD2 TYR 61 1HD TYR 61 5.027 -7.753 6.573 452 HE1 TYR 61 2HE TYR 61 6.619 -7.188 1.953 453 HE2 TYR 61 1HE TYR 61 7.119 -8.831 5.858 454 HH TYR 61 HH TYR 61 8.887 -8.378 4.018 455 H VAL 62 H VAL 62 1.248 -4.438 3.198 456 HA VAL 62 HA VAL 62 -0.663 -3.869 5.312 457 HB VAL 62 HB VAL 62 -1.479 -1.804 4.203 458 HG11 VAL 62 1HG1 VAL 62 0.337 -0.335 5.019 459 HG12 VAL 62 2HG1 VAL 62 -0.084 -1.611 6.163 460 HG13 VAL 62 3HG1 VAL 62 1.374 -1.753 5.180 461 HG21 VAL 62 1HG2 VAL 62 0.911 -1.068 2.829 462 HG22 VAL 62 2HG2 VAL 62 0.328 -2.601 2.181 463 HG23 VAL 62 3HG2 VAL 62 -0.733 -1.193 2.202 464 HA PRO 63 HA PRO 63 -3.375 -6.038 2.618 465 HB2 PRO 63 1HB PRO 63 -5.766 -5.060 3.455 466 HB3 PRO 63 2HB PRO 63 -4.806 -6.197 4.409 467 HG2 PRO 63 1HG PRO 63 -5.025 -3.222 4.665 468 HG3 PRO 63 2HG PRO 63 -5.011 -4.457 5.938 469 HD2 PRO 63 1HD PRO 63 -2.823 -2.992 5.305 470 HD3 PRO 63 2HD PRO 63 -2.717 -4.667 5.883 471 H GLU 64 H GLU 64 -3.172 -5.429 0.522 472 HA GLU 64 HA GLU 64 -3.408 -2.975 -0.637 473 HB2 GLU 64 1HB GLU 64 -2.848 -5.282 -1.683 474 HB3 GLU 64 2HB GLU 64 -4.572 -5.379 -2.011 475 HG2 GLU 64 1HG GLU 64 -4.253 -3.062 -3.109 476 HG3 GLU 64 2HG GLU 64 -2.543 -3.493 -3.127 477 H LYS 65 H LYS 65 -6.037 -5.208 0.134 478 HA LYS 65 HA LYS 65 -8.183 -4.081 -1.100 479 HB2 LYS 65 1HB LYS 65 -8.111 -5.070 1.757 480 HB3 LYS 65 2HB LYS 65 -9.561 -4.872 0.782 481 HG2 LYS 65 1HG LYS 65 -8.324 -6.489 -0.856 482 HG3 LYS 65 2HG LYS 65 -7.413 -6.926 0.591 483 HD2 LYS 65 1HD LYS 65 -10.424 -6.927 0.449 484 HD3 LYS 65 2HD LYS 65 -9.429 -8.351 0.131 485 HE2 LYS 65 1HE LYS 65 -9.172 -6.786 2.679 486 HE3 LYS 65 2HE LYS 65 -10.389 -8.048 2.492 487 HZ1 LYS 65 1HZ LYS 65 -8.036 -8.587 3.450 488 HZ2 LYS 65 2HZ LYS 65 -7.604 -8.672 1.817 489 HZ3 LYS 65 3HZ LYS 65 -8.817 -9.683 2.424 490 H TYR 66 H TYR 66 -6.693 -2.976 1.921 491 HA TYR 66 HA TYR 66 -8.534 -0.888 2.416 492 HB2 TYR 66 1HB TYR 66 -5.731 -1.439 3.367 493 HB3 TYR 66 2HB TYR 66 -6.595 0.016 3.848 494 HD1 TYR 66 1HD TYR 66 -7.806 -3.489 3.438 495 HD2 TYR 66 2HD TYR 66 -7.109 -0.241 6.097 496 HE1 TYR 66 1HE TYR 66 -8.900 -4.744 5.248 497 HE2 TYR 66 2HE TYR 66 -8.201 -1.487 7.914 498 HH TYR 66 HH TYR 66 -9.668 -4.663 7.342 499 H LEU 67 H LEU 67 -5.578 -1.093 0.542 500 HA LEU 67 HA LEU 67 -5.292 1.715 0.130 501 HB2 LEU 67 1HB LEU 67 -4.198 -0.582 -1.488 502 HB3 LEU 67 2HB LEU 67 -3.661 1.095 -1.574 503 HG LEU 67 HG LEU 67 -3.336 -0.772 0.774 504 HD11 LEU 67 1HD1 LEU 67 -1.151 0.494 -0.836 505 HD12 LEU 67 2HD1 LEU 67 -1.885 -1.030 -1.334 506 HD13 LEU 67 3HD1 LEU 67 -1.080 -0.909 0.231 507 HD21 LEU 67 1HD2 LEU 67 -2.100 1.019 1.828 508 HD22 LEU 67 2HD2 LEU 67 -3.736 1.565 1.455 509 HD23 LEU 67 3HD2 LEU 67 -2.384 2.071 0.440 510 H GLN 68 H GLN 68 -5.486 2.791 -1.963 511 HA GLN 68 HA GLN 68 -7.672 1.682 -3.597 512 HB2 GLN 68 1HB GLN 68 -8.382 3.586 -2.143 513 HB3 GLN 68 2HB GLN 68 -7.220 4.605 -2.981 514 HG2 GLN 68 1HG GLN 68 -9.271 5.067 -3.993 515 HG3 GLN 68 2HG GLN 68 -8.444 3.987 -5.115 516 HE21 GLN 68 1HE2 GLN 68 -11.311 4.565 -4.694 517 HE22 GLN 68 2HE2 GLN 68 -12.052 3.028 -4.419 518 H PHE 69 H PHE 69 -6.111 0.825 -5.047 519 HA PHE 69 HA PHE 69 -4.055 2.276 -6.261 520 HB2 PHE 69 1HB PHE 69 -5.635 -0.142 -7.090 521 HB3 PHE 69 2HB PHE 69 -4.430 0.554 -8.169 522 HD1 PHE 69 1HD PHE 69 -4.603 -0.203 -4.515 523 HD2 PHE 69 2HD PHE 69 -2.460 -0.605 -8.171 524 HE1 PHE 69 1HE PHE 69 -2.838 -1.451 -3.340 525 HE2 PHE 69 2HE PHE 69 -0.693 -1.854 -7.001 526 HZ PHE 69 HZ PHE 69 -0.881 -2.280 -4.583 527 HA PRO 70 HA PRO 70 -5.995 4.994 -9.108 528 HB2 PRO 70 1HB PRO 70 -4.206 4.985 -11.150 529 HB3 PRO 70 2HB PRO 70 -3.895 5.782 -9.603 530 HG2 PRO 70 1HG PRO 70 -2.975 3.103 -10.572 531 HG3 PRO 70 2HG PRO 70 -2.066 4.348 -9.695 532 HD2 PRO 70 1HD PRO 70 -3.099 2.164 -8.471 533 HD3 PRO 70 2HD PRO 70 -2.949 3.735 -7.656 534 H THR 71 H THR 71 -6.937 5.157 -11.257 535 HA THR 71 HA THR 71 -8.325 2.845 -12.031 536 HB THR 71 HB THR 71 -9.004 4.161 -14.046 537 HG1 THR 71 1HG THR 71 -7.005 5.863 -13.020 538 HG21 THR 71 1HG2 THR 71 -9.497 6.228 -12.142 539 HG22 THR 71 2HG2 THR 71 -9.555 4.672 -11.313 540 HG23 THR 71 3HG2 THR 71 -10.591 4.967 -12.709 541 H SER 72 H SER 72 -7.247 1.103 -12.755 542 HA SER 72 HA SER 72 -5.189 1.479 -14.817 543 HB2 SER 72 1HB SER 72 -5.765 -0.808 -12.931 544 HB3 SER 72 2HB SER 72 -4.636 -0.945 -14.279 545 HG SER 72 HG SER 72 -3.595 -0.358 -12.320 546 H SER 73 H SER 73 -6.609 1.773 -16.566 547 HA SER 73 HA SER 73 -7.885 -0.715 -17.476 548 HB2 SER 73 1HB SER 73 -9.819 0.450 -18.269 549 HB3 SER 73 2HB SER 73 -9.572 0.958 -16.599 550 HG SER 73 HG SER 73 -9.864 2.824 -17.671 551 H GLY 74 H GLY 74 -7.849 -1.083 -19.701 552 HA2 GLY 74 1HA GLY 74 -6.449 0.889 -21.365 553 HA3 GLY 74 2HA GLY 74 -5.774 -0.729 -21.237 554 HA PRO 75 HA PRO 75 -8.290 -2.106 -24.546 555 HB2 PRO 75 1HB PRO 75 -8.878 -4.650 -23.803 556 HB3 PRO 75 2HB PRO 75 -7.269 -4.154 -24.341 557 HG2 PRO 75 1HG PRO 75 -8.301 -4.536 -21.557 558 HG3 PRO 75 2HG PRO 75 -6.746 -5.029 -22.251 559 HD2 PRO 75 1HD PRO 75 -7.019 -2.816 -20.715 560 HD3 PRO 75 2HD PRO 75 -5.839 -2.921 -22.037 561 H SER 76 H SER 76 -10.418 -2.475 -25.209 562 HA SER 76 HA SER 76 -12.433 -2.043 -23.114 563 HB2 SER 76 1HB SER 76 -12.563 -1.522 -26.093 564 HB3 SER 76 2HB SER 76 -13.887 -1.240 -24.963 565 HG SER 76 HG SER 76 -12.615 0.648 -25.416 566 H SER 77 H SER 77 -13.529 -3.775 -22.504 567 HA SER 77 HA SER 77 -13.663 -6.116 -24.213 568 HB2 SER 77 1HB SER 77 -13.180 -6.302 -21.769 569 HB3 SER 77 2HB SER 77 -14.812 -5.721 -21.440 570 HG SER 77 HG SER 77 -15.632 -7.548 -22.452 571 H GLY 78 H GLY 78 -15.021 -4.147 -25.451 572 HA2 GLY 78 1HA GLY 78 -17.840 -4.933 -25.044 573 HA3 GLY 78 2HA GLY 78 -17.381 -3.280 -25.425 Start of MODEL 17 1 H1 GLY 1 H GLY 1 1.558 -4.715 -28.923 2 HA2 GLY 1 1HA GLY 1 1.905 -6.382 -30.737 3 HA3 GLY 1 2HA GLY 1 3.560 -6.506 -30.158 4 H SER 2 H SER 2 4.003 -7.653 -28.269 5 HA SER 2 HA SER 2 2.766 -9.986 -27.778 6 HB2 SER 2 1HB SER 2 3.712 -9.931 -25.480 7 HB3 SER 2 2HB SER 2 4.869 -9.400 -26.700 8 HG SER 2 HG SER 2 4.149 -8.099 -24.559 9 H SER 3 H SER 3 1.153 -10.810 -26.461 10 HA SER 3 HA SER 3 -0.850 -8.839 -25.607 11 HB2 SER 3 1HB SER 3 -1.156 -11.792 -26.200 12 HB3 SER 3 2HB SER 3 -2.463 -10.709 -25.721 13 HG SER 3 HG SER 3 -0.872 -10.074 -27.947 14 H GLY 4 H GLY 4 0.296 -12.063 -24.578 15 HA2 GLY 4 1HA GLY 4 0.427 -13.006 -22.483 16 HA3 GLY 4 2HA GLY 4 1.091 -11.445 -22.024 17 H SER 5 H SER 5 0.175 -11.215 -20.042 18 HA SER 5 HA SER 5 -2.268 -11.960 -19.120 19 HB2 SER 5 1HB SER 5 -0.666 -9.478 -18.506 20 HB3 SER 5 2HB SER 5 -2.147 -9.878 -17.636 21 HG SER 5 HG SER 5 -1.183 -11.588 -16.739 22 H SER 6 H SER 6 -4.171 -11.749 -20.096 23 HA SER 6 HA SER 6 -4.861 -9.803 -21.974 24 HB2 SER 6 1HB SER 6 -6.732 -11.380 -20.190 25 HB3 SER 6 2HB SER 6 -7.164 -10.584 -21.703 26 HG SER 6 HG SER 6 -6.776 -12.685 -22.217 27 H GLY 7 H GLY 7 -4.632 -7.694 -21.444 28 HA2 GLY 7 1HA GLY 7 -6.113 -5.875 -20.618 29 HA3 GLY 7 2HA GLY 7 -6.148 -6.743 -19.091 30 H THR 8 H THR 8 -5.406 -4.781 -18.099 31 HA THR 8 HA THR 8 -2.623 -4.058 -18.679 32 HB THR 8 HB THR 8 -2.984 -2.025 -17.477 33 HG1 THR 8 1HG THR 8 -5.245 -3.387 -16.507 34 HG21 THR 8 1HG2 THR 8 -5.465 -2.607 -19.101 35 HG22 THR 8 2HG2 THR 8 -3.909 -2.100 -19.759 36 HG23 THR 8 3HG2 THR 8 -4.822 -1.012 -18.715 37 H LEU 9 H LEU 9 -1.001 -4.455 -17.289 38 HA LEU 9 HA LEU 9 -1.681 -5.828 -14.783 39 HB2 LEU 9 1HB LEU 9 0.345 -6.961 -14.908 40 HB3 LEU 9 2HB LEU 9 -0.218 -6.907 -16.577 41 HG LEU 9 HG LEU 9 1.322 -4.791 -16.711 42 HD11 LEU 9 1HD1 LEU 9 1.784 -5.553 -14.073 43 HD12 LEU 9 2HD1 LEU 9 2.709 -4.392 -15.024 44 HD13 LEU 9 3HD1 LEU 9 3.216 -6.079 -14.959 45 HD21 LEU 9 1HD2 LEU 9 3.293 -6.572 -16.988 46 HD22 LEU 9 2HD2 LEU 9 1.980 -6.409 -18.155 47 HD23 LEU 9 3HD2 LEU 9 1.922 -7.681 -16.933 48 H ARG 10 H ARG 10 -0.670 -5.264 -12.838 49 HA ARG 10 HA ARG 10 -0.358 -2.555 -12.319 50 HB2 ARG 10 1HB ARG 10 0.830 -4.860 -10.764 51 HB3 ARG 10 2HB ARG 10 0.577 -3.229 -10.158 52 HG2 ARG 10 1HG ARG 10 -1.891 -3.599 -10.667 53 HG3 ARG 10 2HG ARG 10 -1.475 -5.305 -10.839 54 HD2 ARG 10 1HD ARG 10 -0.581 -3.836 -8.405 55 HD3 ARG 10 2HD ARG 10 -2.270 -4.325 -8.532 56 HE ARG 10 HE ARG 10 -0.510 -6.483 -9.114 57 HH11 ARG 10 2HH1 ARG 10 -1.877 -4.631 -6.503 58 HH12 ARG 10 1HH1 ARG 10 -1.742 -5.915 -5.348 59 HH21 ARG 10 2HH2 ARG 10 -0.327 -8.182 -7.603 60 HH22 ARG 10 1HH2 ARG 10 -0.859 -7.934 -5.974 61 H ASN 11 H ASN 11 1.205 -1.155 -12.761 62 HA ASN 11 HA ASN 11 3.887 -2.199 -13.385 63 HB2 ASN 11 1HB ASN 11 2.263 0.031 -14.524 64 HB3 ASN 11 2HB ASN 11 4.015 0.209 -14.496 65 HD21 ASN 11 1HD2 ASN 11 5.046 -2.095 -15.120 66 HD22 ASN 11 2HD2 ASN 11 4.482 -2.684 -16.643 67 H TYR 12 H TYR 12 4.426 -2.169 -11.121 68 HA TYR 12 HA TYR 12 4.296 0.095 -9.481 69 HB2 TYR 12 1HB TYR 12 6.281 -2.187 -9.419 70 HB3 TYR 12 2HB TYR 12 6.026 -1.030 -8.117 71 HD1 TYR 12 2HD TYR 12 3.006 -0.871 -8.300 72 HD2 TYR 12 1HD TYR 12 5.671 -4.187 -8.319 73 HE1 TYR 12 2HE TYR 12 1.228 -2.298 -7.378 74 HE2 TYR 12 1HE TYR 12 3.900 -5.624 -7.398 75 HH TYR 12 HH TYR 12 1.646 -5.765 -7.036 76 HA PRO 13 HA PRO 13 5.670 0.892 -7.745 77 HB2 PRO 13 1HB PRO 13 5.818 3.564 -7.285 78 HB3 PRO 13 2HB PRO 13 7.186 2.471 -7.044 79 HG2 PRO 13 1HG PRO 13 6.583 4.268 -9.361 80 HG3 PRO 13 2HG PRO 13 8.129 3.976 -8.544 81 HD2 PRO 13 1HD PRO 13 7.477 2.797 -10.893 82 HD3 PRO 13 2HD PRO 13 8.499 2.003 -9.677 83 H LEU 14 H LEU 14 3.682 1.677 -6.885 84 HA LEU 14 HA LEU 14 1.933 3.076 -8.784 85 HB2 LEU 14 1HB LEU 14 1.529 0.416 -7.512 86 HB3 LEU 14 2HB LEU 14 0.126 1.457 -7.747 87 HG LEU 14 HG LEU 14 1.956 0.740 -10.019 88 HD11 LEU 14 1HD1 LEU 14 1.342 -1.396 -9.562 89 HD12 LEU 14 2HD1 LEU 14 -0.096 -0.895 -10.450 90 HD13 LEU 14 3HD1 LEU 14 -0.111 -0.912 -8.687 91 HD21 LEU 14 1HD2 LEU 14 -0.729 1.985 -9.688 92 HD22 LEU 14 2HD2 LEU 14 -0.405 1.037 -11.139 93 HD23 LEU 14 3HD2 LEU 14 0.602 2.434 -10.755 94 H THR 15 H THR 15 1.124 4.827 -7.861 95 HA THR 15 HA THR 15 1.215 5.177 -5.000 96 HB THR 15 HB THR 15 -0.037 7.071 -6.986 97 HG1 THR 15 1HG THR 15 2.299 6.323 -7.336 98 HG21 THR 15 1HG2 THR 15 0.280 8.729 -5.364 99 HG22 THR 15 2HG2 THR 15 1.442 7.755 -4.463 100 HG23 THR 15 3HG2 THR 15 -0.270 7.335 -4.435 101 H CYS 16 H CYS 16 -0.345 4.559 -3.668 102 HA CYS 16 HA CYS 16 -3.083 4.313 -4.718 103 HB2 CYS 16 1HB CYS 16 -3.269 2.875 -2.498 104 HB3 CYS 16 2HB CYS 16 -2.636 2.183 -3.988 105 HG CYS 16 HG CYS 16 -0.444 3.570 -1.803 106 H LYS 17 H LYS 17 -4.745 4.472 -2.821 107 HA LYS 17 HA LYS 17 -4.042 6.774 -1.126 108 HB2 LYS 17 1HB LYS 17 -5.397 7.521 -3.041 109 HB3 LYS 17 2HB LYS 17 -6.646 6.361 -2.608 110 HG2 LYS 17 1HG LYS 17 -7.492 8.280 -1.695 111 HG3 LYS 17 2HG LYS 17 -6.608 7.619 -0.318 112 HD2 LYS 17 1HD LYS 17 -4.730 9.078 -0.781 113 HD3 LYS 17 2HD LYS 17 -5.527 9.684 -2.235 114 HE2 LYS 17 1HE LYS 17 -7.417 10.417 -0.691 115 HE3 LYS 17 2HE LYS 17 -6.301 10.109 0.639 116 HZ1 LYS 17 1HZ LYS 17 -5.086 11.919 0.155 117 HZ2 LYS 17 2HZ LYS 17 -6.502 12.452 -0.601 118 HZ3 LYS 17 3HZ LYS 17 -5.266 11.751 -1.519 119 H VAL 18 H VAL 18 -4.109 6.117 0.915 120 HA VAL 18 HA VAL 18 -5.495 3.819 1.807 121 HB VAL 18 HB VAL 18 -4.346 6.111 3.405 122 HG11 VAL 18 1HG1 VAL 18 -4.276 4.144 5.151 123 HG12 VAL 18 2HG1 VAL 18 -5.721 5.139 4.958 124 HG13 VAL 18 3HG1 VAL 18 -5.636 3.548 4.199 125 HG21 VAL 18 1HG2 VAL 18 -2.850 4.648 1.889 126 HG22 VAL 18 2HG2 VAL 18 -2.363 4.908 3.564 127 HG23 VAL 18 3HG2 VAL 18 -3.130 3.391 3.095 128 H VAL 19 H VAL 19 -7.654 3.725 1.737 129 HA VAL 19 HA VAL 19 -9.230 6.072 2.500 130 HB VAL 19 HB VAL 19 -11.168 4.538 1.753 131 HG11 VAL 19 1HG1 VAL 19 -11.005 6.121 0.185 132 HG12 VAL 19 2HG1 VAL 19 -9.241 6.098 0.222 133 HG13 VAL 19 3HG1 VAL 19 -10.119 4.922 -0.757 134 HG21 VAL 19 1HG2 VAL 19 -9.536 2.532 1.763 135 HG22 VAL 19 2HG2 VAL 19 -10.716 2.663 0.459 136 HG23 VAL 19 3HG2 VAL 19 -9.040 3.136 0.182 137 H TYR 20 H TYR 20 -8.322 2.924 3.616 138 HA TYR 20 HA TYR 20 -10.145 3.230 5.912 139 HB2 TYR 20 1HB TYR 20 -9.282 0.790 4.395 140 HB3 TYR 20 2HB TYR 20 -9.757 0.653 6.084 141 HD1 TYR 20 2HD TYR 20 -11.126 2.662 3.245 142 HD2 TYR 20 1HD TYR 20 -11.850 -0.316 6.196 143 HE1 TYR 20 2HE TYR 20 -13.489 2.574 2.568 144 HE2 TYR 20 1HE TYR 20 -14.215 -0.414 5.526 145 HH TYR 20 HH TYR 20 -15.382 1.137 2.678 146 H SER 21 H SER 21 -9.119 3.738 7.717 147 HA SER 21 HA SER 21 -6.320 3.696 8.009 148 HB2 SER 21 1HB SER 21 -6.666 4.572 10.154 149 HB3 SER 21 2HB SER 21 -8.101 5.098 9.274 150 HG SER 21 HG SER 21 -7.841 3.062 11.200 151 H TYR 22 H TYR 22 -4.998 2.434 9.391 152 HA TYR 22 HA TYR 22 -6.042 0.010 10.559 153 HB2 TYR 22 1HB TYR 22 -5.841 -0.895 8.393 154 HB3 TYR 22 2HB TYR 22 -4.339 -0.035 8.077 155 HD1 TYR 22 2HD TYR 22 -5.693 -2.566 10.476 156 HD2 TYR 22 1HD TYR 22 -2.385 -1.255 8.143 157 HE1 TYR 22 2HE TYR 22 -4.417 -4.547 11.182 158 HE2 TYR 22 1HE TYR 22 -1.100 -3.233 8.842 159 HH TYR 22 HH TYR 22 -1.400 -5.404 9.726 160 H LYS 23 H LYS 23 -5.102 0.126 12.485 161 HA LYS 23 HA LYS 23 -2.487 1.293 12.835 162 HB2 LYS 23 1HB LYS 23 -4.595 1.323 14.429 163 HB3 LYS 23 2HB LYS 23 -3.894 -0.177 15.023 164 HG2 LYS 23 1HG LYS 23 -2.183 2.255 14.804 165 HG3 LYS 23 2HG LYS 23 -3.307 2.093 16.155 166 HD2 LYS 23 1HD LYS 23 -1.374 -0.089 15.428 167 HD3 LYS 23 2HD LYS 23 -0.917 1.243 16.492 168 HE2 LYS 23 1HE LYS 23 -3.271 -0.584 16.951 169 HE3 LYS 23 2HE LYS 23 -1.687 -0.791 17.698 170 HZ1 LYS 23 1HZ LYS 23 -2.477 1.840 18.140 171 HZ2 LYS 23 2HZ LYS 23 -2.322 0.599 19.279 172 HZ3 LYS 23 3HZ LYS 23 -3.808 0.865 18.516 173 H ALA 24 H ALA 24 -0.914 0.024 11.972 174 HA ALA 24 HA ALA 24 -0.670 -2.642 11.703 175 HB1 ALA 24 1HB ALA 24 1.733 -1.280 12.795 176 HB2 ALA 24 2HB ALA 24 1.568 -2.333 11.390 177 HB3 ALA 24 3HB ALA 24 1.030 -0.656 11.303 178 H SER 25 H SER 25 -0.022 -4.413 12.907 179 HA SER 25 HA SER 25 -0.065 -4.029 15.830 180 HB2 SER 25 1HB SER 25 -1.213 -6.073 16.088 181 HB3 SER 25 2HB SER 25 -1.996 -5.310 14.704 182 HG SER 25 HG SER 25 -0.269 -6.608 13.500 183 H GLN 26 H GLN 26 1.610 -5.364 13.123 184 HA GLN 26 HA GLN 26 3.519 -6.711 14.907 185 HB2 GLN 26 1HB GLN 26 2.881 -7.064 11.986 186 HB3 GLN 26 2HB GLN 26 4.350 -7.716 12.699 187 HG2 GLN 26 1HG GLN 26 3.000 -9.020 14.271 188 HG3 GLN 26 2HG GLN 26 1.535 -8.384 13.526 189 HE21 GLN 26 1HE2 GLN 26 0.622 -9.713 12.151 190 HE22 GLN 26 2HE2 GLN 26 1.427 -10.885 11.169 191 HA PRO 27 HA PRO 27 6.623 -3.701 14.151 192 HB2 PRO 27 1HB PRO 27 8.861 -5.233 14.284 193 HB3 PRO 27 2HB PRO 27 7.900 -4.811 15.706 194 HG2 PRO 27 1HG PRO 27 7.897 -7.336 14.100 195 HG3 PRO 27 2HG PRO 27 7.855 -7.130 15.860 196 HD2 PRO 27 1HD PRO 27 5.637 -7.671 14.403 197 HD3 PRO 27 2HD PRO 27 5.593 -6.688 15.880 198 H ASP 28 H ASP 28 5.925 -6.146 11.958 199 HA ASP 28 HA ASP 28 7.933 -5.209 10.026 200 HB2 ASP 28 1HB ASP 28 6.265 -7.717 10.164 201 HB3 ASP 28 2HB ASP 28 7.128 -7.245 8.703 202 H GLU 29 H GLU 29 4.678 -4.900 10.862 203 HA GLU 29 HA GLU 29 3.702 -4.418 8.180 204 HB2 GLU 29 1HB GLU 29 2.519 -4.492 10.908 205 HB3 GLU 29 2HB GLU 29 1.698 -3.515 9.699 206 HG2 GLU 29 1HG GLU 29 0.682 -5.645 9.670 207 HG3 GLU 29 2HG GLU 29 1.674 -5.534 8.217 208 H LEU 30 H LEU 30 2.363 -2.315 7.909 209 HA LEU 30 HA LEU 30 3.998 -0.055 8.859 210 HB2 LEU 30 1HB LEU 30 3.962 -0.811 6.334 211 HB3 LEU 30 2HB LEU 30 2.457 0.107 6.316 212 HG LEU 30 HG LEU 30 4.486 1.351 5.529 213 HD11 LEU 30 1HD1 LEU 30 2.979 2.938 5.998 214 HD12 LEU 30 2HD1 LEU 30 3.960 3.227 7.434 215 HD13 LEU 30 3HD1 LEU 30 2.531 2.198 7.536 216 HD21 LEU 30 1HD2 LEU 30 6.298 1.679 6.810 217 HD22 LEU 30 2HD2 LEU 30 5.719 0.267 7.696 218 HD23 LEU 30 3HD2 LEU 30 5.347 1.890 8.280 219 H THR 31 H THR 31 2.959 1.429 10.009 220 HA THR 31 HA THR 31 0.141 1.227 10.469 221 HB THR 31 HB THR 31 1.792 3.582 11.334 222 HG1 THR 31 1HG THR 31 1.978 0.903 12.192 223 HG21 THR 31 1HG2 THR 31 0.268 3.771 13.072 224 HG22 THR 31 2HG2 THR 31 -0.205 2.075 12.978 225 HG23 THR 31 3HG2 THR 31 -0.754 3.213 11.748 226 H ILE 32 H ILE 32 -1.301 1.933 9.041 227 HA ILE 32 HA ILE 32 -0.722 4.420 7.571 228 HB ILE 32 HB ILE 32 -2.160 3.675 5.805 229 HG12 ILE 32 1HG1 ILE 32 -2.701 1.209 7.474 230 HG13 ILE 32 2HG1 ILE 32 -3.831 2.538 7.244 231 HG21 ILE 32 1HG2 ILE 32 -0.045 2.852 5.384 232 HG22 ILE 32 2HG2 ILE 32 -0.092 1.739 6.751 233 HG23 ILE 32 3HG2 ILE 32 -1.025 1.389 5.297 234 HD11 ILE 32 1HD1 ILE 32 -4.632 1.381 5.532 235 HD12 ILE 32 2HD1 ILE 32 -3.149 1.800 4.674 236 HD13 ILE 32 3HD1 ILE 32 -3.262 0.271 5.545 237 H GLU 33 H GLU 33 -2.715 5.667 6.949 238 HA GLU 33 HA GLU 33 -4.988 5.385 8.725 239 HB2 GLU 33 1HB GLU 33 -2.927 7.505 9.031 240 HB3 GLU 33 2HB GLU 33 -4.609 7.991 9.197 241 HG2 GLU 33 1HG GLU 33 -4.794 6.034 10.850 242 HG3 GLU 33 2HG GLU 33 -3.032 6.078 10.870 243 H GLU 34 H GLU 34 -6.835 6.305 7.925 244 HA GLU 34 HA GLU 34 -7.281 6.611 5.290 245 HB2 GLU 34 1HB GLU 34 -8.928 6.761 7.283 246 HB3 GLU 34 2HB GLU 34 -8.644 8.494 7.194 247 HG2 GLU 34 1HG GLU 34 -9.594 8.658 5.064 248 HG3 GLU 34 2HG GLU 34 -9.506 6.918 4.796 249 H HIS 35 H HIS 35 -7.178 8.181 3.728 250 HA HIS 35 HA HIS 35 -6.506 10.071 2.648 251 HB2 HIS 35 1HB HIS 35 -6.132 11.459 5.288 252 HB3 HIS 35 2HB HIS 35 -6.609 12.147 3.739 253 HD1 HIS 35 1HD HIS 35 -9.094 11.273 2.909 254 HD2 HIS 35 2HD HIS 35 -8.212 11.024 6.961 255 HE1 HIS 35 1HE HIS 35 -11.316 11.069 4.069 256 HE2 HIS 35 2HE HIS 35 -10.762 11.006 6.525 257 H GLU 36 H GLU 36 -4.624 8.144 3.072 258 HA GLU 36 HA GLU 36 -2.189 9.751 3.437 259 HB2 GLU 36 1HB GLU 36 -2.391 8.415 5.433 260 HB3 GLU 36 2HB GLU 36 -2.699 6.966 4.488 261 HG2 GLU 36 1HG GLU 36 -0.508 6.644 4.987 262 HG3 GLU 36 2HG GLU 36 -0.339 7.530 3.472 263 H VAL 37 H VAL 37 -1.394 9.915 1.440 264 HA VAL 37 HA VAL 37 -1.742 7.852 -0.533 265 HB VAL 37 HB VAL 37 -0.039 10.346 -0.653 266 HG11 VAL 37 1HG1 VAL 37 0.258 9.979 -2.914 267 HG12 VAL 37 2HG1 VAL 37 0.362 8.342 -2.264 268 HG13 VAL 37 3HG1 VAL 37 -1.128 8.896 -3.028 269 HG21 VAL 37 1HG2 VAL 37 -2.767 10.224 -0.452 270 HG22 VAL 37 2HG2 VAL 37 -1.856 11.546 -1.181 271 HG23 VAL 37 3HG2 VAL 37 -2.518 10.265 -2.197 272 H LEU 38 H LEU 38 -0.457 6.168 -0.871 273 HA LEU 38 HA LEU 38 2.305 6.279 0.152 274 HB2 LEU 38 1HB LEU 38 0.528 3.853 -0.049 275 HB3 LEU 38 2HB LEU 38 2.174 3.892 0.578 276 HG LEU 38 HG LEU 38 -0.024 5.480 1.866 277 HD11 LEU 38 1HD1 LEU 38 -0.651 3.048 1.663 278 HD12 LEU 38 2HD1 LEU 38 -0.551 3.680 3.307 279 HD13 LEU 38 3HD1 LEU 38 0.757 2.687 2.663 280 HD21 LEU 38 1HD2 LEU 38 1.879 6.186 2.871 281 HD22 LEU 38 2HD2 LEU 38 2.766 4.713 2.479 282 HD23 LEU 38 3HD2 LEU 38 1.629 4.725 3.828 283 H GLU 39 H GLU 39 3.556 4.285 -0.924 284 HA GLU 39 HA GLU 39 2.959 4.245 -3.799 285 HB2 GLU 39 1HB GLU 39 4.716 5.974 -3.216 286 HB3 GLU 39 2HB GLU 39 5.745 4.641 -2.709 287 HG2 GLU 39 1HG GLU 39 5.890 3.783 -4.894 288 HG3 GLU 39 2HG GLU 39 4.560 4.792 -5.461 289 H VAL 40 H VAL 40 2.568 2.170 -4.212 290 HA VAL 40 HA VAL 40 3.728 0.033 -2.701 291 HB VAL 40 HB VAL 40 2.166 -0.091 -5.285 292 HG11 VAL 40 1HG1 VAL 40 2.310 -2.312 -3.300 293 HG12 VAL 40 2HG1 VAL 40 2.012 -2.370 -5.039 294 HG13 VAL 40 3HG1 VAL 40 3.643 -2.082 -4.431 295 HG21 VAL 40 1HG2 VAL 40 0.441 -0.933 -3.414 296 HG22 VAL 40 2HG2 VAL 40 1.371 0.218 -2.454 297 HG23 VAL 40 3HG2 VAL 40 0.559 0.750 -3.927 298 H ILE 41 H ILE 41 5.804 -0.484 -2.932 299 HA ILE 41 HA ILE 41 7.070 -0.256 -5.561 300 HB ILE 41 HB ILE 41 9.193 -0.654 -4.338 301 HG12 ILE 41 1HG1 ILE 41 7.413 -0.551 -1.893 302 HG13 ILE 41 2HG1 ILE 41 8.283 -1.967 -2.474 303 HG21 ILE 41 1HG2 ILE 41 7.834 1.632 -4.602 304 HG22 ILE 41 2HG2 ILE 41 7.934 1.565 -2.843 305 HG23 ILE 41 3HG2 ILE 41 9.407 1.540 -3.811 306 HD11 ILE 41 1HD1 ILE 41 10.326 -0.252 -2.223 307 HD12 ILE 41 2HD1 ILE 41 9.249 0.369 -0.971 308 HD13 ILE 41 3HD1 ILE 41 9.774 -1.313 -0.928 309 H GLU 42 H GLU 42 6.254 -2.615 -3.087 310 HA GLU 42 HA GLU 42 6.912 -4.746 -5.001 311 HB2 GLU 42 1HB GLU 42 7.829 -4.435 -2.187 312 HB3 GLU 42 2HB GLU 42 7.414 -6.054 -2.731 313 HG2 GLU 42 1HG GLU 42 9.473 -4.220 -3.933 314 HG3 GLU 42 2HG GLU 42 9.771 -5.688 -3.005 315 H ASP 43 H ASP 43 5.852 -6.854 -4.366 316 HA ASP 43 HA ASP 43 3.092 -6.285 -3.572 317 HB2 ASP 43 1HB ASP 43 2.854 -8.754 -4.459 318 HB3 ASP 43 2HB ASP 43 2.975 -7.405 -5.585 319 H GLY 44 H GLY 44 4.959 -6.342 -1.492 320 HA2 GLY 44 1HA GLY 44 5.493 -7.408 0.488 321 HA3 GLY 44 2HA GLY 44 3.785 -7.819 0.458 322 H ASP 45 H ASP 45 4.104 -9.803 1.472 323 HA ASP 45 HA ASP 45 5.393 -11.839 -0.223 324 HB2 ASP 45 1HB ASP 45 6.040 -13.050 1.817 325 HB3 ASP 45 2HB ASP 45 6.758 -11.442 1.770 326 H MET 46 H MET 46 2.586 -10.767 1.293 327 HA MET 46 HA MET 46 1.386 -13.418 1.489 328 HB2 MET 46 1HB MET 46 -0.042 -10.818 1.978 329 HB3 MET 46 2HB MET 46 -0.397 -12.406 2.643 330 HG2 MET 46 1HG MET 46 2.041 -10.770 3.303 331 HG3 MET 46 2HG MET 46 0.579 -10.852 4.284 332 HE1 MET 46 1HE MET 46 1.261 -13.602 6.607 333 HE2 MET 46 2HE MET 46 0.984 -11.871 6.407 334 HE3 MET 46 3HE MET 46 -0.146 -13.032 5.708 335 H GLU 47 H GLU 47 -1.150 -13.153 0.766 336 HA GLU 47 HA GLU 47 -0.986 -12.550 -2.107 337 HB2 GLU 47 1HB GLU 47 -2.973 -14.329 -0.686 338 HB3 GLU 47 2HB GLU 47 -2.780 -14.147 -2.424 339 HG2 GLU 47 1HG GLU 47 -0.842 -15.381 -2.479 340 HG3 GLU 47 2HG GLU 47 -0.469 -15.069 -0.785 341 H ASP 48 H ASP 48 -2.173 -11.306 0.722 342 HA ASP 48 HA ASP 48 -4.216 -9.766 -0.728 343 HB2 ASP 48 1HB ASP 48 -4.453 -10.888 2.071 344 HB3 ASP 48 2HB ASP 48 -5.577 -9.731 1.363 345 H TRP 49 H TRP 49 -1.334 -9.393 0.228 346 HA TRP 49 HA TRP 49 -1.799 -6.770 1.469 347 HB2 TRP 49 1HB TRP 49 0.308 -8.781 2.288 348 HB3 TRP 49 2HB TRP 49 0.259 -7.109 2.839 349 HD1 TRP 49 HD TRP 49 -2.260 -10.079 2.818 350 HE1 TRP 49 1HE TRP 49 -3.464 -10.099 5.093 351 HE3 TRP 49 3HE TRP 49 -0.025 -6.008 4.954 352 HZ2 TRP 49 2HZ TRP 49 -3.466 -8.589 7.477 353 HZ3 TRP 49 3HZ TRP 49 -0.685 -5.362 7.235 354 HH2 TRP 49 HH TRP 49 -2.370 -6.626 8.469 355 H VAL 50 H VAL 50 0.334 -5.450 1.382 356 HA VAL 50 HA VAL 50 1.995 -6.041 -0.923 357 HB VAL 50 HB VAL 50 1.557 -3.899 -2.035 358 HG11 VAL 50 1HG1 VAL 50 -0.690 -4.445 -2.926 359 HG12 VAL 50 2HG1 VAL 50 0.386 -5.841 -2.852 360 HG13 VAL 50 3HG1 VAL 50 -0.877 -5.634 -1.639 361 HG21 VAL 50 1HG2 VAL 50 0.717 -2.325 -0.653 362 HG22 VAL 50 2HG2 VAL 50 -0.832 -2.957 -1.210 363 HG23 VAL 50 3HG2 VAL 50 -0.160 -3.500 0.327 364 H LYS 51 H LYS 51 3.756 -4.453 -1.178 365 HA LYS 51 HA LYS 51 4.528 -3.362 1.440 366 HB2 LYS 51 1HB LYS 51 5.914 -5.124 0.026 367 HB3 LYS 51 2HB LYS 51 6.484 -3.676 -0.793 368 HG2 LYS 51 1HG LYS 51 7.246 -2.766 1.345 369 HG3 LYS 51 2HG LYS 51 6.682 -4.226 2.162 370 HD2 LYS 51 1HD LYS 51 8.218 -5.405 0.368 371 HD3 LYS 51 2HD LYS 51 9.021 -3.833 0.359 372 HE2 LYS 51 1HE LYS 51 8.420 -5.169 2.961 373 HE3 LYS 51 2HE LYS 51 9.799 -5.710 2.006 374 HZ1 LYS 51 1HZ LYS 51 10.898 -4.075 3.013 375 HZ2 LYS 51 2HZ LYS 51 9.487 -3.328 3.571 376 HZ3 LYS 51 3HZ LYS 51 10.051 -3.008 2.009 377 H ALA 52 H ALA 52 4.093 -1.261 1.607 378 HA ALA 52 HA ALA 52 4.774 0.482 -0.670 379 HB1 ALA 52 1HB ALA 52 2.432 0.708 1.211 380 HB2 ALA 52 2HB ALA 52 2.932 1.983 0.099 381 HB3 ALA 52 3HB ALA 52 2.390 0.428 -0.530 382 H ARG 53 H ARG 53 5.388 2.675 -0.091 383 HA ARG 53 HA ARG 53 6.539 2.846 2.617 384 HB2 ARG 53 1HB ARG 53 8.162 2.531 0.657 385 HB3 ARG 53 2HB ARG 53 7.729 4.169 0.187 386 HG2 ARG 53 1HG ARG 53 8.479 4.965 2.402 387 HG3 ARG 53 2HG ARG 53 9.001 3.322 2.779 388 HD2 ARG 53 1HD ARG 53 9.976 4.686 0.302 389 HD3 ARG 53 2HD ARG 53 10.721 5.038 1.860 390 HE ARG 53 HE ARG 53 10.553 2.237 1.391 391 HH11 ARG 53 2HH1 ARG 53 12.361 5.095 0.565 392 HH12 ARG 53 1HH1 ARG 53 13.822 4.229 0.222 393 HH21 ARG 53 2HH2 ARG 53 12.471 1.086 0.942 394 HH22 ARG 53 1HH2 ARG 53 13.883 1.949 0.436 395 H ASN 54 H ASN 54 6.075 4.616 3.779 396 HA ASN 54 HA ASN 54 4.223 6.540 2.665 397 HB2 ASN 54 1HB ASN 54 4.447 7.474 5.098 398 HB3 ASN 54 2HB ASN 54 3.588 5.961 4.823 399 HD21 ASN 54 1HD2 ASN 54 3.978 5.345 6.966 400 HD22 ASN 54 2HD2 ASN 54 5.528 4.774 7.473 401 H LYS 55 H LYS 55 4.672 8.894 3.717 402 HA LYS 55 HA LYS 55 6.736 10.010 2.184 403 HB2 LYS 55 1HB LYS 55 6.286 12.088 3.476 404 HB3 LYS 55 2HB LYS 55 4.833 11.342 2.824 405 HG2 LYS 55 1HG LYS 55 4.718 10.210 5.179 406 HG3 LYS 55 2HG LYS 55 5.749 11.564 5.649 407 HD2 LYS 55 1HD LYS 55 3.914 12.938 4.318 408 HD3 LYS 55 2HD LYS 55 2.915 11.548 4.748 409 HE2 LYS 55 1HE LYS 55 3.838 11.920 7.132 410 HE3 LYS 55 2HE LYS 55 4.287 13.519 6.542 411 HZ1 LYS 55 1HZ LYS 55 1.569 12.717 5.955 412 HZ2 LYS 55 2HZ LYS 55 2.165 14.196 6.518 413 HZ3 LYS 55 3HZ LYS 55 1.906 12.922 7.601 414 H VAL 56 H VAL 56 6.557 9.296 5.656 415 HA VAL 56 HA VAL 56 9.011 10.368 6.427 416 HB VAL 56 HB VAL 56 8.935 8.580 8.254 417 HG11 VAL 56 1HG1 VAL 56 6.726 10.560 7.777 418 HG12 VAL 56 2HG1 VAL 56 6.857 9.640 9.278 419 HG13 VAL 56 3HG1 VAL 56 8.157 10.731 8.794 420 HG21 VAL 56 1HG2 VAL 56 6.867 7.613 6.485 421 HG22 VAL 56 2HG2 VAL 56 7.619 6.824 7.871 422 HG23 VAL 56 3HG2 VAL 56 6.240 7.898 8.108 423 H GLY 57 H GLY 57 8.283 7.488 4.651 424 HA2 GLY 57 1HA GLY 57 10.039 6.520 3.294 425 HA3 GLY 57 2HA GLY 57 11.163 6.855 4.603 426 H GLN 58 H GLN 58 8.602 5.835 6.235 427 HA GLN 58 HA GLN 58 9.701 3.240 6.702 428 HB2 GLN 58 1HB GLN 58 7.409 4.816 7.780 429 HB3 GLN 58 2HB GLN 58 7.425 3.078 8.049 430 HG2 GLN 58 1HG GLN 58 9.638 3.279 9.096 431 HG3 GLN 58 2HG GLN 58 9.568 5.026 8.868 432 HE21 GLN 58 1HE2 GLN 58 9.930 3.961 11.356 433 HE22 GLN 58 2HE2 GLN 58 8.521 4.227 12.318 434 H VAL 59 H VAL 59 9.322 1.463 5.572 435 HA VAL 59 HA VAL 59 6.760 1.226 4.131 436 HB VAL 59 HB VAL 59 8.296 1.458 2.395 437 HG11 VAL 59 1HG1 VAL 59 10.400 1.499 3.312 438 HG12 VAL 59 2HG1 VAL 59 10.160 -0.006 4.203 439 HG13 VAL 59 3HG1 VAL 59 10.442 -0.046 2.462 440 HG21 VAL 59 1HG2 VAL 59 8.035 -0.484 1.233 441 HG22 VAL 59 2HG2 VAL 59 8.577 -1.492 2.576 442 HG23 VAL 59 3HG2 VAL 59 6.945 -0.822 2.579 443 H GLY 60 H GLY 60 5.594 -0.568 4.488 444 HA2 GLY 60 1HA GLY 60 6.897 -2.952 5.568 445 HA3 GLY 60 2HA GLY 60 5.658 -2.198 6.561 446 H TYR 61 H TYR 61 4.468 -4.176 6.416 447 HA TYR 61 HA TYR 61 3.309 -4.745 3.780 448 HB2 TYR 61 1HB TYR 61 3.232 -6.382 6.324 449 HB3 TYR 61 2HB TYR 61 2.563 -6.870 4.771 450 HD1 TYR 61 2HD TYR 61 4.528 -6.358 2.813 451 HD2 TYR 61 1HD TYR 61 5.122 -7.588 6.843 452 HE1 TYR 61 2HE TYR 61 6.691 -7.345 2.187 453 HE2 TYR 61 1HE TYR 61 7.288 -8.577 6.228 454 HH TYR 61 HH TYR 61 8.243 -9.527 3.760 455 H VAL 62 H VAL 62 1.313 -4.109 3.324 456 HA VAL 62 HA VAL 62 -0.602 -3.709 5.516 457 HB VAL 62 HB VAL 62 -1.432 -1.649 4.477 458 HG11 VAL 62 1HG1 VAL 62 0.199 -0.219 5.343 459 HG12 VAL 62 2HG1 VAL 62 0.453 -1.730 6.219 460 HG13 VAL 62 3HG1 VAL 62 1.519 -1.294 4.883 461 HG21 VAL 62 1HG2 VAL 62 -0.983 -1.560 2.259 462 HG22 VAL 62 2HG2 VAL 62 0.422 -0.653 2.819 463 HG23 VAL 62 3HG2 VAL 62 0.577 -2.366 2.429 464 HA PRO 63 HA PRO 63 -3.426 -5.893 2.955 465 HB2 PRO 63 1HB PRO 63 -5.779 -4.835 3.799 466 HB3 PRO 63 2HB PRO 63 -4.825 -5.956 4.777 467 HG2 PRO 63 1HG PRO 63 -4.979 -2.970 4.927 468 HG3 PRO 63 2HG PRO 63 -4.965 -4.157 6.244 469 HD2 PRO 63 1HD PRO 63 -2.761 -2.763 5.517 470 HD3 PRO 63 2HD PRO 63 -2.677 -4.418 6.154 471 H GLU 64 H GLU 64 -3.806 -5.612 0.856 472 HA GLU 64 HA GLU 64 -3.855 -3.097 -0.408 473 HB2 GLU 64 1HB GLU 64 -3.186 -5.218 -1.512 474 HB3 GLU 64 2HB GLU 64 -4.867 -5.734 -1.484 475 HG2 GLU 64 1HG GLU 64 -4.084 -3.168 -2.800 476 HG3 GLU 64 2HG GLU 64 -3.904 -4.707 -3.639 477 H LYS 65 H LYS 65 -6.458 -5.383 0.370 478 HA LYS 65 HA LYS 65 -8.609 -4.155 -0.800 479 HB2 LYS 65 1HB LYS 65 -9.992 -5.150 0.980 480 HB3 LYS 65 2HB LYS 65 -8.796 -6.283 0.365 481 HG2 LYS 65 1HG LYS 65 -8.077 -4.670 2.749 482 HG3 LYS 65 2HG LYS 65 -9.244 -5.979 2.950 483 HD2 LYS 65 1HD LYS 65 -7.431 -7.319 1.564 484 HD3 LYS 65 2HD LYS 65 -6.358 -6.091 2.237 485 HE2 LYS 65 1HE LYS 65 -6.392 -8.025 3.685 486 HE3 LYS 65 2HE LYS 65 -7.167 -6.664 4.495 487 HZ1 LYS 65 1HZ LYS 65 -8.222 -9.147 4.220 488 HZ2 LYS 65 2HZ LYS 65 -9.006 -8.280 2.998 489 HZ3 LYS 65 3HZ LYS 65 -9.094 -7.748 4.602 490 H TYR 66 H TYR 66 -6.694 -2.994 1.804 491 HA TYR 66 HA TYR 66 -8.688 -1.102 2.729 492 HB2 TYR 66 1HB TYR 66 -5.898 -1.814 3.553 493 HB3 TYR 66 2HB TYR 66 -6.593 -0.285 4.078 494 HD1 TYR 66 1HD TYR 66 -8.904 -3.023 3.629 495 HD2 TYR 66 2HD TYR 66 -6.297 -1.137 6.412 496 HE1 TYR 66 1HE TYR 66 -10.047 -4.180 5.474 497 HE2 TYR 66 2HE TYR 66 -7.432 -2.289 8.265 498 HH TYR 66 HH TYR 66 -9.279 -4.893 7.956 499 H LEU 67 H LEU 67 -5.831 -1.158 0.707 500 HA LEU 67 HA LEU 67 -5.741 1.721 0.445 501 HB2 LEU 67 1HB LEU 67 -4.259 -0.328 -1.186 502 HB3 LEU 67 2HB LEU 67 -3.859 1.376 -0.981 503 HG LEU 67 HG LEU 67 -3.827 -0.526 1.341 504 HD11 LEU 67 1HD1 LEU 67 -2.231 -1.656 0.227 505 HD12 LEU 67 2HD1 LEU 67 -1.220 -0.294 0.709 506 HD13 LEU 67 3HD1 LEU 67 -1.932 -0.336 -0.904 507 HD21 LEU 67 1HD2 LEU 67 -3.640 1.587 2.197 508 HD22 LEU 67 2HD2 LEU 67 -2.859 2.226 0.751 509 HD23 LEU 67 3HD2 LEU 67 -1.942 1.231 1.883 510 H GLN 68 H GLN 68 -5.819 2.757 -1.700 511 HA GLN 68 HA GLN 68 -7.797 1.455 -3.454 512 HB2 GLN 68 1HB GLN 68 -8.567 3.474 -2.076 513 HB3 GLN 68 2HB GLN 68 -7.529 4.436 -3.119 514 HG2 GLN 68 1HG GLN 68 -9.605 4.632 -4.113 515 HG3 GLN 68 2HG GLN 68 -8.829 3.360 -5.055 516 HE21 GLN 68 1HE2 GLN 68 -11.587 4.239 -3.460 517 HE22 GLN 68 2HE2 GLN 68 -12.307 2.681 -3.264 518 H PHE 69 H PHE 69 -6.330 0.632 -4.919 519 HA PHE 69 HA PHE 69 -4.148 2.051 -5.995 520 HB2 PHE 69 1HB PHE 69 -5.682 -0.384 -6.846 521 HB3 PHE 69 2HB PHE 69 -4.458 0.303 -7.909 522 HD1 PHE 69 1HD PHE 69 -4.279 0.258 -4.227 523 HD2 PHE 69 2HD PHE 69 -2.909 -1.480 -7.862 524 HE1 PHE 69 1HE PHE 69 -2.531 -0.950 -2.986 525 HE2 PHE 69 2HE PHE 69 -1.159 -2.691 -6.628 526 HZ PHE 69 HZ PHE 69 -0.969 -2.428 -4.187 527 HA PRO 70 HA PRO 70 -5.896 4.720 -9.006 528 HB2 PRO 70 1HB PRO 70 -4.040 4.603 -10.984 529 HB3 PRO 70 2HB PRO 70 -3.758 5.435 -9.450 530 HG2 PRO 70 1HG PRO 70 -2.883 2.705 -10.313 531 HG3 PRO 70 2HG PRO 70 -1.969 3.949 -9.440 532 HD2 PRO 70 1HD PRO 70 -3.105 1.831 -8.192 533 HD3 PRO 70 2HD PRO 70 -2.937 3.419 -7.416 534 H THR 71 H THR 71 -7.774 3.781 -9.742 535 HA THR 71 HA THR 71 -7.555 1.817 -11.917 536 HB THR 71 HB THR 71 -8.961 1.179 -9.972 537 HG1 THR 71 1HG THR 71 -10.892 0.754 -11.359 538 HG21 THR 71 1HG2 THR 71 -9.806 3.749 -9.943 539 HG22 THR 71 2HG2 THR 71 -10.682 2.418 -9.186 540 HG23 THR 71 3HG2 THR 71 -11.146 2.980 -10.792 541 H SER 72 H SER 72 -8.128 2.323 -13.940 542 HA SER 72 HA SER 72 -10.007 4.414 -14.533 543 HB2 SER 72 1HB SER 72 -8.186 5.900 -14.248 544 HB3 SER 72 2HB SER 72 -7.063 4.807 -15.056 545 HG SER 72 HG SER 72 -9.269 5.743 -16.495 546 H SER 73 H SER 73 -11.157 3.621 -16.151 547 HA SER 73 HA SER 73 -9.787 1.988 -18.188 548 HB2 SER 73 1HB SER 73 -12.658 1.709 -17.270 549 HB3 SER 73 2HB SER 73 -11.828 0.686 -18.442 550 HG SER 73 HG SER 73 -11.991 -0.013 -16.113 551 H GLY 74 H GLY 74 -10.577 2.135 -20.351 552 HA2 GLY 74 1HA GLY 74 -12.533 4.150 -21.024 553 HA3 GLY 74 2HA GLY 74 -10.882 4.605 -21.420 554 HA PRO 75 HA PRO 75 -11.924 0.715 -24.114 555 HB2 PRO 75 1HB PRO 75 -14.529 -0.047 -24.161 556 HB3 PRO 75 2HB PRO 75 -13.360 -0.693 -23.003 557 HG2 PRO 75 1HG PRO 75 -15.399 1.467 -22.632 558 HG3 PRO 75 2HG PRO 75 -14.963 0.140 -21.539 559 HD2 PRO 75 1HD PRO 75 -14.048 2.666 -21.202 560 HD3 PRO 75 2HD PRO 75 -13.096 1.238 -20.749 561 H SER 76 H SER 76 -11.536 2.170 -25.781 562 HA SER 76 HA SER 76 -13.940 3.099 -27.191 563 HB2 SER 76 1HB SER 76 -12.964 5.032 -26.015 564 HB3 SER 76 2HB SER 76 -11.417 4.731 -26.807 565 HG SER 76 HG SER 76 -12.185 5.501 -28.641 566 H SER 77 H SER 77 -13.992 2.390 -29.212 567 HA SER 77 HA SER 77 -11.497 1.424 -30.425 568 HB2 SER 77 1HB SER 77 -12.854 0.003 -31.818 569 HB3 SER 77 2HB SER 77 -13.416 -0.178 -30.157 570 HG SER 77 HG SER 77 -15.293 0.332 -30.935 571 H GLY 78 H GLY 78 -10.631 2.449 -32.110 572 HA2 GLY 78 1HA GLY 78 -12.235 3.857 -34.039 573 HA3 GLY 78 2HA GLY 78 -11.320 4.935 -32.995 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -3.114 -18.562 -18.028 2 HA2 GLY 1 1HA GLY 1 -1.250 -18.954 -20.152 3 HA3 GLY 1 2HA GLY 1 -2.794 -19.709 -20.516 4 H SER 2 H SER 2 -2.804 -18.176 -22.319 5 HA SER 2 HA SER 2 -3.223 -15.381 -21.647 6 HB2 SER 2 1HB SER 2 -2.878 -16.931 -24.182 7 HB3 SER 2 2HB SER 2 -3.667 -15.355 -24.253 8 HG SER 2 HG SER 2 -1.638 -14.851 -22.821 9 H SER 3 H SER 3 -5.158 -15.355 -20.519 10 HA SER 3 HA SER 3 -7.507 -16.679 -21.159 11 HB2 SER 3 1HB SER 3 -6.969 -15.295 -19.072 12 HB3 SER 3 2HB SER 3 -7.463 -13.888 -20.013 13 HG SER 3 HG SER 3 -9.158 -16.119 -19.888 14 H GLY 4 H GLY 4 -6.453 -13.433 -22.171 15 HA2 GLY 4 1HA GLY 4 -7.031 -13.191 -24.687 16 HA3 GLY 4 2HA GLY 4 -8.676 -13.364 -24.094 17 H SER 5 H SER 5 -8.566 -11.866 -21.771 18 HA SER 5 HA SER 5 -7.849 -9.179 -22.741 19 HB2 SER 5 1HB SER 5 -9.916 -8.356 -21.548 20 HB3 SER 5 2HB SER 5 -10.231 -9.342 -22.976 21 HG SER 5 HG SER 5 -10.368 -10.140 -20.259 22 H SER 6 H SER 6 -6.124 -8.709 -21.507 23 HA SER 6 HA SER 6 -5.274 -9.562 -19.131 24 HB2 SER 6 1HB SER 6 -4.266 -7.351 -18.717 25 HB3 SER 6 2HB SER 6 -4.109 -7.820 -20.409 26 HG SER 6 HG SER 6 -5.176 -6.094 -20.908 27 H GLY 7 H GLY 7 -5.683 -9.329 -16.969 28 HA2 GLY 7 1HA GLY 7 -8.287 -8.126 -16.306 29 HA3 GLY 7 2HA GLY 7 -7.489 -9.393 -15.387 30 H THR 8 H THR 8 -5.771 -8.853 -13.993 31 HA THR 8 HA THR 8 -5.981 -6.171 -12.920 32 HB THR 8 HB THR 8 -4.441 -7.019 -11.147 33 HG1 THR 8 1HG THR 8 -3.774 -9.128 -11.200 34 HG21 THR 8 1HG2 THR 8 -7.078 -8.199 -11.793 35 HG22 THR 8 2HG2 THR 8 -6.558 -7.294 -10.371 36 HG23 THR 8 3HG2 THR 8 -6.144 -9.000 -10.531 37 H LEU 9 H LEU 9 -4.563 -4.563 -13.194 38 HA LEU 9 HA LEU 9 -1.980 -5.195 -14.463 39 HB2 LEU 9 1HB LEU 9 -4.016 -3.131 -15.083 40 HB3 LEU 9 2HB LEU 9 -2.322 -2.670 -15.237 41 HG LEU 9 HG LEU 9 -2.054 -4.660 -16.776 42 HD11 LEU 9 1HD1 LEU 9 -5.066 -4.554 -16.791 43 HD12 LEU 9 2HD1 LEU 9 -4.099 -5.835 -16.061 44 HD13 LEU 9 3HD1 LEU 9 -4.041 -5.571 -17.804 45 HD21 LEU 9 1HD2 LEU 9 -3.465 -2.131 -17.298 46 HD22 LEU 9 2HD2 LEU 9 -3.618 -3.360 -18.554 47 HD23 LEU 9 3HD2 LEU 9 -2.020 -2.806 -18.052 48 H ARG 10 H ARG 10 -0.505 -5.015 -12.895 49 HA ARG 10 HA ARG 10 -0.586 -2.601 -11.204 50 HB2 ARG 10 1HB ARG 10 0.507 -5.327 -10.479 51 HB3 ARG 10 2HB ARG 10 0.536 -3.902 -9.449 52 HG2 ARG 10 1HG ARG 10 -1.989 -5.174 -10.473 53 HG3 ARG 10 2HG ARG 10 -1.256 -5.546 -8.912 54 HD2 ARG 10 1HD ARG 10 -1.621 -3.363 -8.107 55 HD3 ARG 10 2HD ARG 10 -1.959 -2.740 -9.721 56 HE ARG 10 HE ARG 10 -4.125 -3.496 -9.535 57 HH11 ARG 10 2HH1 ARG 10 -2.195 -4.786 -6.941 58 HH12 ARG 10 1HH1 ARG 10 -3.555 -5.402 -6.061 59 HH21 ARG 10 2HH2 ARG 10 -5.923 -4.303 -8.387 60 HH22 ARG 10 1HH2 ARG 10 -5.675 -5.127 -6.885 61 H ASN 11 H ASN 11 0.739 -1.368 -12.524 62 HA ASN 11 HA ASN 11 3.416 -2.407 -13.112 63 HB2 ASN 11 1HB ASN 11 1.826 -0.086 -14.189 64 HB3 ASN 11 2HB ASN 11 3.556 -0.235 -14.481 65 HD21 ASN 11 1HD2 ASN 11 4.025 -2.743 -15.037 66 HD22 ASN 11 2HD2 ASN 11 3.099 -3.300 -16.385 67 H TYR 12 H TYR 12 4.011 -2.231 -10.833 68 HA TYR 12 HA TYR 12 4.041 0.172 -9.398 69 HB2 TYR 12 1HB TYR 12 6.151 -1.958 -9.110 70 HB3 TYR 12 2HB TYR 12 5.481 -0.908 -7.867 71 HD1 TYR 12 2HD TYR 12 2.625 -1.194 -8.147 72 HD2 TYR 12 1HD TYR 12 5.661 -4.147 -8.550 73 HE1 TYR 12 2HE TYR 12 0.999 -2.938 -7.544 74 HE2 TYR 12 1HE TYR 12 4.044 -5.900 -7.949 75 HH TYR 12 HH TYR 12 0.690 -5.094 -7.105 76 HA PRO 13 HA PRO 13 5.494 1.081 -7.803 77 HB2 PRO 13 1HB PRO 13 5.753 3.777 -7.614 78 HB3 PRO 13 2HB PRO 13 7.088 2.659 -7.306 79 HG2 PRO 13 1HG PRO 13 6.474 4.244 -9.770 80 HG3 PRO 13 2HG PRO 13 8.035 3.973 -8.974 81 HD2 PRO 13 1HD PRO 13 7.263 2.596 -11.174 82 HD3 PRO 13 2HD PRO 13 8.296 1.886 -9.917 83 H LEU 14 H LEU 14 3.474 1.675 -7.088 84 HA LEU 14 HA LEU 14 1.765 3.169 -8.958 85 HB2 LEU 14 1HB LEU 14 1.190 0.562 -7.582 86 HB3 LEU 14 2HB LEU 14 -0.098 1.609 -8.177 87 HG LEU 14 HG LEU 14 2.078 0.485 -9.934 88 HD11 LEU 14 1HD1 LEU 14 0.925 -1.411 -10.266 89 HD12 LEU 14 2HD1 LEU 14 -0.639 -0.603 -10.154 90 HD13 LEU 14 3HD1 LEU 14 0.228 -1.054 -8.686 91 HD21 LEU 14 1HD2 LEU 14 0.796 1.241 -11.740 92 HD22 LEU 14 2HD2 LEU 14 0.759 2.575 -10.587 93 HD23 LEU 14 3HD2 LEU 14 -0.631 1.499 -10.737 94 H THR 15 H THR 15 1.080 4.948 -7.987 95 HA THR 15 HA THR 15 1.154 5.285 -5.152 96 HB THR 15 HB THR 15 -0.260 7.114 -7.088 97 HG1 THR 15 1HG THR 15 2.198 6.399 -7.358 98 HG21 THR 15 1HG2 THR 15 1.235 7.684 -4.527 99 HG22 THR 15 2HG2 THR 15 -0.517 7.529 -4.654 100 HG23 THR 15 3HG2 THR 15 0.317 8.837 -5.494 101 H CYS 16 H CYS 16 -0.341 4.688 -3.737 102 HA CYS 16 HA CYS 16 -3.083 4.227 -4.696 103 HB2 CYS 16 1HB CYS 16 -3.281 2.816 -2.595 104 HB3 CYS 16 2HB CYS 16 -2.200 2.196 -3.838 105 HG CYS 16 HG CYS 16 -0.102 2.044 -2.365 106 H LYS 17 H LYS 17 -4.694 4.392 -2.731 107 HA LYS 17 HA LYS 17 -4.093 6.809 -1.172 108 HB2 LYS 17 1HB LYS 17 -5.398 7.491 -3.136 109 HB3 LYS 17 2HB LYS 17 -6.638 6.312 -2.729 110 HG2 LYS 17 1HG LYS 17 -7.592 8.168 -1.842 111 HG3 LYS 17 2HG LYS 17 -6.645 7.649 -0.446 112 HD2 LYS 17 1HD LYS 17 -5.133 9.348 -0.668 113 HD3 LYS 17 2HD LYS 17 -5.342 9.451 -2.418 114 HE2 LYS 17 1HE LYS 17 -6.241 11.430 -1.327 115 HE3 LYS 17 2HE LYS 17 -7.531 10.500 -2.088 116 HZ1 LYS 17 1HZ LYS 17 -6.856 10.216 0.781 117 HZ2 LYS 17 2HZ LYS 17 -8.256 9.703 -0.018 118 HZ3 LYS 17 3HZ LYS 17 -7.978 11.354 0.225 119 H VAL 18 H VAL 18 -4.082 6.039 0.849 120 HA VAL 18 HA VAL 18 -5.510 3.821 1.787 121 HB VAL 18 HB VAL 18 -4.436 6.168 3.357 122 HG11 VAL 18 1HG1 VAL 18 -4.549 3.635 4.747 123 HG12 VAL 18 2HG1 VAL 18 -5.160 5.217 5.236 124 HG13 VAL 18 3HG1 VAL 18 -6.150 4.161 4.227 125 HG21 VAL 18 1HG2 VAL 18 -3.182 3.900 2.054 126 HG22 VAL 18 2HG2 VAL 18 -2.451 5.344 2.757 127 HG23 VAL 18 3HG2 VAL 18 -2.825 3.957 3.780 128 H VAL 19 H VAL 19 -7.679 3.805 1.445 129 HA VAL 19 HA VAL 19 -9.302 6.112 2.125 130 HB VAL 19 HB VAL 19 -11.204 4.526 1.464 131 HG11 VAL 19 1HG1 VAL 19 -11.093 5.413 -0.597 132 HG12 VAL 19 2HG1 VAL 19 -9.659 6.235 0.023 133 HG13 VAL 19 3HG1 VAL 19 -9.491 4.746 -0.908 134 HG21 VAL 19 1HG2 VAL 19 -9.372 2.578 1.689 135 HG22 VAL 19 2HG2 VAL 19 -10.791 2.455 0.649 136 HG23 VAL 19 3HG2 VAL 19 -9.233 2.917 -0.036 137 H TYR 20 H TYR 20 -8.349 3.095 3.523 138 HA TYR 20 HA TYR 20 -10.146 3.616 5.799 139 HB2 TYR 20 1HB TYR 20 -9.468 1.022 4.444 140 HB3 TYR 20 2HB TYR 20 -9.957 1.046 6.135 141 HD1 TYR 20 2HD TYR 20 -11.074 2.276 2.791 142 HD2 TYR 20 1HD TYR 20 -12.210 0.897 6.652 143 HE1 TYR 20 2HE TYR 20 -13.434 2.307 2.101 144 HE2 TYR 20 1HE TYR 20 -14.574 0.922 5.972 145 HH TYR 20 HH TYR 20 -16.023 1.775 4.382 146 H SER 21 H SER 21 -9.133 3.958 7.658 147 HA SER 21 HA SER 21 -6.319 3.897 7.880 148 HB2 SER 21 1HB SER 21 -7.519 5.462 9.229 149 HB3 SER 21 2HB SER 21 -8.506 4.188 9.945 150 HG SER 21 HG SER 21 -6.793 3.512 11.128 151 H TYR 22 H TYR 22 -4.961 2.561 9.098 152 HA TYR 22 HA TYR 22 -6.031 0.133 10.271 153 HB2 TYR 22 1HB TYR 22 -5.829 -0.637 8.021 154 HB3 TYR 22 2HB TYR 22 -4.249 0.115 7.834 155 HD1 TYR 22 2HD TYR 22 -6.078 -2.724 9.264 156 HD2 TYR 22 1HD TYR 22 -2.256 -0.937 8.715 157 HE1 TYR 22 2HE TYR 22 -5.002 -4.829 9.943 158 HE2 TYR 22 1HE TYR 22 -1.170 -3.037 9.392 159 HH TYR 22 HH TYR 22 -3.083 -5.852 10.401 160 H LYS 23 H LYS 23 -5.041 -0.004 12.160 161 HA LYS 23 HA LYS 23 -2.460 1.235 12.586 162 HB2 LYS 23 1HB LYS 23 -4.507 -0.057 14.357 163 HB3 LYS 23 2HB LYS 23 -2.881 0.236 14.959 164 HG2 LYS 23 1HG LYS 23 -4.011 2.120 15.648 165 HG3 LYS 23 2HG LYS 23 -3.278 2.659 14.135 166 HD2 LYS 23 1HD LYS 23 -5.419 3.401 13.820 167 HD3 LYS 23 2HD LYS 23 -5.556 1.784 13.126 168 HE2 LYS 23 1HE LYS 23 -6.353 0.986 15.358 169 HE3 LYS 23 2HE LYS 23 -6.382 2.668 15.887 170 HZ1 LYS 23 1HZ LYS 23 -8.085 3.178 14.397 171 HZ2 LYS 23 2HZ LYS 23 -8.540 1.681 15.038 172 HZ3 LYS 23 3HZ LYS 23 -7.861 1.767 13.491 173 H ALA 24 H ALA 24 -0.554 0.230 12.593 174 HA ALA 24 HA ALA 24 -0.387 -2.547 11.911 175 HB1 ALA 24 1HB ALA 24 1.877 -2.195 11.564 176 HB2 ALA 24 2HB ALA 24 1.184 -0.609 11.223 177 HB3 ALA 24 3HB ALA 24 1.967 -0.914 12.773 178 H SER 25 H SER 25 -0.361 -4.208 13.265 179 HA SER 25 HA SER 25 0.404 -3.722 16.069 180 HB2 SER 25 1HB SER 25 -1.084 -5.600 16.663 181 HB3 SER 25 2HB SER 25 -1.964 -4.313 15.838 182 HG SER 25 HG SER 25 -1.508 -5.645 13.872 183 H GLN 26 H GLN 26 1.962 -4.605 13.593 184 HA GLN 26 HA GLN 26 3.288 -6.866 14.905 185 HB2 GLN 26 1HB GLN 26 2.319 -6.754 12.062 186 HB3 GLN 26 2HB GLN 26 3.668 -7.783 12.522 187 HG2 GLN 26 1HG GLN 26 0.945 -7.910 13.791 188 HG3 GLN 26 2HG GLN 26 1.465 -8.930 12.450 189 HE21 GLN 26 1HE2 GLN 26 3.836 -9.814 12.992 190 HE22 GLN 26 2HE2 GLN 26 3.918 -10.638 14.508 191 HA PRO 27 HA PRO 27 7.018 -4.716 14.062 192 HB2 PRO 27 1HB PRO 27 8.757 -6.772 13.717 193 HB3 PRO 27 2HB PRO 27 8.092 -6.331 15.294 194 HG2 PRO 27 1HG PRO 27 7.244 -8.508 13.422 195 HG3 PRO 27 2HG PRO 27 7.433 -8.559 15.185 196 HD2 PRO 27 1HD PRO 27 5.020 -8.294 13.986 197 HD3 PRO 27 2HD PRO 27 5.390 -7.559 15.559 198 H ASP 28 H ASP 28 5.707 -6.904 11.743 199 HA ASP 28 HA ASP 28 7.458 -5.779 9.657 200 HB2 ASP 28 1HB ASP 28 5.961 -8.408 9.689 201 HB3 ASP 28 2HB ASP 28 6.882 -7.792 8.320 202 H GLU 29 H GLU 29 4.926 -4.701 10.834 203 HA GLU 29 HA GLU 29 3.311 -4.637 8.371 204 HB2 GLU 29 1HB GLU 29 2.551 -4.592 11.261 205 HB3 GLU 29 2HB GLU 29 1.529 -3.754 10.102 206 HG2 GLU 29 1HG GLU 29 1.201 -5.805 8.861 207 HG3 GLU 29 2HG GLU 29 2.293 -6.661 9.947 208 H LEU 30 H LEU 30 2.078 -2.561 8.086 209 HA LEU 30 HA LEU 30 3.711 -0.267 8.955 210 HB2 LEU 30 1HB LEU 30 3.702 -1.097 6.452 211 HB3 LEU 30 2HB LEU 30 2.192 -0.190 6.395 212 HG LEU 30 HG LEU 30 4.169 1.073 5.579 213 HD11 LEU 30 1HD1 LEU 30 2.886 2.798 6.114 214 HD12 LEU 30 2HD1 LEU 30 3.648 2.836 7.704 215 HD13 LEU 30 3HD1 LEU 30 2.173 1.901 7.455 216 HD21 LEU 30 1HD2 LEU 30 5.739 0.051 7.265 217 HD22 LEU 30 2HD2 LEU 30 5.038 1.142 8.460 218 HD23 LEU 30 3HD2 LEU 30 5.877 1.796 7.053 219 H THR 31 H THR 31 2.652 1.240 10.054 220 HA THR 31 HA THR 31 -0.204 1.045 10.397 221 HB THR 31 HB THR 31 1.662 3.153 11.498 222 HG1 THR 31 1HG THR 31 1.609 1.761 13.386 223 HG21 THR 31 1HG2 THR 31 -0.236 4.060 12.249 224 HG22 THR 31 2HG2 THR 31 -0.418 2.639 13.279 225 HG23 THR 31 3HG2 THR 31 -1.187 2.683 11.692 226 H ILE 32 H ILE 32 -1.472 1.806 8.824 227 HA ILE 32 HA ILE 32 -0.724 4.312 7.484 228 HB ILE 32 HB ILE 32 -2.430 3.694 5.792 229 HG12 ILE 32 1HG1 ILE 32 -2.546 1.079 7.311 230 HG13 ILE 32 2HG1 ILE 32 -3.827 2.286 7.273 231 HG21 ILE 32 1HG2 ILE 32 -0.268 3.148 5.146 232 HG22 ILE 32 2HG2 ILE 32 -0.113 1.892 6.373 233 HG23 ILE 32 3HG2 ILE 32 -1.131 1.622 4.960 234 HD11 ILE 32 1HD1 ILE 32 -4.622 0.966 5.641 235 HD12 ILE 32 2HD1 ILE 32 -3.492 1.881 4.641 236 HD13 ILE 32 3HD1 ILE 32 -3.036 0.295 5.261 237 H GLU 33 H GLU 33 -2.660 5.679 6.811 238 HA GLU 33 HA GLU 33 -4.925 5.602 8.611 239 HB2 GLU 33 1HB GLU 33 -2.706 7.561 8.888 240 HB3 GLU 33 2HB GLU 33 -4.344 8.176 9.056 241 HG2 GLU 33 1HG GLU 33 -4.615 6.167 10.701 242 HG3 GLU 33 2HG GLU 33 -2.856 6.251 10.772 243 H GLU 34 H GLU 34 -6.706 6.556 7.756 244 HA GLU 34 HA GLU 34 -7.093 6.919 5.120 245 HB2 GLU 34 1HB GLU 34 -8.798 7.074 7.025 246 HB3 GLU 34 2HB GLU 34 -8.403 8.785 7.089 247 HG2 GLU 34 1HG GLU 34 -9.225 9.157 4.908 248 HG3 GLU 34 2HG GLU 34 -9.326 7.428 4.576 249 H HIS 35 H HIS 35 -6.979 8.550 3.597 250 HA HIS 35 HA HIS 35 -6.229 10.437 2.564 251 HB2 HIS 35 1HB HIS 35 -5.778 11.670 5.277 252 HB3 HIS 35 2HB HIS 35 -6.124 12.485 3.754 253 HD1 HIS 35 1HD HIS 35 -7.739 12.314 6.674 254 HD2 HIS 35 2HD HIS 35 -8.863 10.916 2.927 255 HE1 HIS 35 1HE HIS 35 -10.247 12.147 6.744 256 HE2 HIS 35 2HE HIS 35 -10.898 11.218 4.495 257 H GLU 36 H GLU 36 -4.447 8.398 2.884 258 HA GLU 36 HA GLU 36 -1.920 9.858 3.249 259 HB2 GLU 36 1HB GLU 36 -2.225 8.426 5.198 260 HB3 GLU 36 2HB GLU 36 -2.505 7.035 4.159 261 HG2 GLU 36 1HG GLU 36 -0.293 6.837 3.589 262 HG3 GLU 36 2HG GLU 36 0.051 8.538 3.902 263 H VAL 37 H VAL 37 -1.183 10.064 1.230 264 HA VAL 37 HA VAL 37 -1.648 8.047 -0.779 265 HB VAL 37 HB VAL 37 0.010 10.571 -0.899 266 HG11 VAL 37 1HG1 VAL 37 0.228 10.264 -3.205 267 HG12 VAL 37 2HG1 VAL 37 0.539 8.663 -2.531 268 HG13 VAL 37 3HG1 VAL 37 -1.029 9.028 -3.253 269 HG21 VAL 37 1HG2 VAL 37 -2.618 10.544 -0.575 270 HG22 VAL 37 2HG2 VAL 37 -1.828 11.703 -1.644 271 HG23 VAL 37 3HG2 VAL 37 -2.583 10.258 -2.315 272 H LEU 38 H LEU 38 -0.460 6.266 -0.890 273 HA LEU 38 HA LEU 38 2.379 6.411 -0.118 274 HB2 LEU 38 1HB LEU 38 0.662 3.941 -0.220 275 HB3 LEU 38 2HB LEU 38 2.279 4.096 0.463 276 HG LEU 38 HG LEU 38 -0.098 5.556 1.590 277 HD11 LEU 38 1HD1 LEU 38 -0.550 3.813 3.055 278 HD12 LEU 38 2HD1 LEU 38 0.986 3.009 2.731 279 HD13 LEU 38 3HD1 LEU 38 -0.294 2.988 1.517 280 HD21 LEU 38 1HD2 LEU 38 2.747 5.216 2.290 281 HD22 LEU 38 2HD2 LEU 38 1.601 5.125 3.628 282 HD23 LEU 38 3HD2 LEU 38 1.650 6.561 2.604 283 H GLU 39 H GLU 39 3.694 4.605 -1.240 284 HA GLU 39 HA GLU 39 2.902 4.427 -4.070 285 HB2 GLU 39 1HB GLU 39 4.681 6.167 -3.603 286 HB3 GLU 39 2HB GLU 39 5.736 4.846 -3.120 287 HG2 GLU 39 1HG GLU 39 5.847 3.981 -5.279 288 HG3 GLU 39 2HG GLU 39 4.419 4.869 -5.807 289 H VAL 40 H VAL 40 2.392 2.328 -4.272 290 HA VAL 40 HA VAL 40 3.655 0.227 -2.837 291 HB VAL 40 HB VAL 40 1.961 0.080 -5.335 292 HG11 VAL 40 1HG1 VAL 40 3.009 -1.985 -5.247 293 HG12 VAL 40 2HG1 VAL 40 3.047 -2.004 -3.483 294 HG13 VAL 40 3HG1 VAL 40 1.526 -2.269 -4.336 295 HG21 VAL 40 1HG2 VAL 40 1.340 0.445 -2.488 296 HG22 VAL 40 2HG2 VAL 40 0.387 0.842 -3.918 297 HG23 VAL 40 3HG2 VAL 40 0.404 -0.810 -3.300 298 H ILE 41 H ILE 41 5.756 -0.186 -3.142 299 HA ILE 41 HA ILE 41 6.906 -0.041 -5.818 300 HB ILE 41 HB ILE 41 9.067 -0.461 -4.671 301 HG12 ILE 41 1HG1 ILE 41 7.390 -0.309 -2.156 302 HG13 ILE 41 2HG1 ILE 41 8.183 -1.756 -2.770 303 HG21 ILE 41 1HG2 ILE 41 8.341 1.750 -3.048 304 HG22 ILE 41 2HG2 ILE 41 9.180 1.752 -4.598 305 HG23 ILE 41 3HG2 ILE 41 7.419 1.845 -4.548 306 HD11 ILE 41 1HD1 ILE 41 9.260 -0.297 -0.875 307 HD12 ILE 41 2HD1 ILE 41 10.252 -1.060 -2.118 308 HD13 ILE 41 3HD1 ILE 41 9.841 0.650 -2.244 309 H GLU 42 H GLU 42 6.229 -2.391 -3.282 310 HA GLU 42 HA GLU 42 6.818 -4.531 -5.216 311 HB2 GLU 42 1HB GLU 42 7.723 -4.216 -2.401 312 HB3 GLU 42 2HB GLU 42 7.283 -5.833 -2.930 313 HG2 GLU 42 1HG GLU 42 9.221 -4.126 -4.453 314 HG3 GLU 42 2HG GLU 42 9.722 -5.171 -3.124 315 H ASP 43 H ASP 43 5.757 -6.646 -4.518 316 HA ASP 43 HA ASP 43 2.982 -6.045 -3.799 317 HB2 ASP 43 1HB ASP 43 3.738 -7.343 -5.934 318 HB3 ASP 43 2HB ASP 43 3.915 -8.704 -4.830 319 H GLY 44 H GLY 44 4.985 -6.143 -1.746 320 HA2 GLY 44 1HA GLY 44 5.435 -7.135 0.284 321 HA3 GLY 44 2HA GLY 44 3.719 -7.512 0.260 322 H ASP 45 H ASP 45 4.781 -9.321 1.603 323 HA ASP 45 HA ASP 45 5.823 -11.462 -0.101 324 HB2 ASP 45 1HB ASP 45 5.908 -10.870 2.817 325 HB3 ASP 45 2HB ASP 45 5.949 -12.561 2.324 326 H MET 46 H MET 46 3.154 -10.719 2.085 327 HA MET 46 HA MET 46 1.941 -13.303 1.838 328 HB2 MET 46 1HB MET 46 1.694 -11.420 3.691 329 HB3 MET 46 2HB MET 46 0.361 -10.911 2.663 330 HG2 MET 46 1HG MET 46 -0.501 -12.338 4.362 331 HG3 MET 46 2HG MET 46 -0.571 -13.200 2.827 332 HE1 MET 46 1HE MET 46 2.298 -13.795 6.286 333 HE2 MET 46 2HE MET 46 1.179 -12.468 5.973 334 HE3 MET 46 3HE MET 46 0.580 -13.988 6.640 335 H GLU 47 H GLU 47 -0.296 -13.573 0.991 336 HA GLU 47 HA GLU 47 -0.411 -12.635 -1.716 337 HB2 GLU 47 1HB GLU 47 -2.476 -13.998 -1.848 338 HB3 GLU 47 2HB GLU 47 -1.101 -14.899 -1.225 339 HG2 GLU 47 1HG GLU 47 -1.933 -14.678 1.032 340 HG3 GLU 47 2HG GLU 47 -3.270 -13.678 0.467 341 H ASP 48 H ASP 48 -2.094 -11.924 1.280 342 HA ASP 48 HA ASP 48 -3.759 -9.951 -0.127 343 HB2 ASP 48 1HB ASP 48 -4.073 -11.398 2.490 344 HB3 ASP 48 2HB ASP 48 -4.964 -9.913 2.167 345 H TRP 49 H TRP 49 -1.070 -9.329 0.236 346 HA TRP 49 HA TRP 49 -1.320 -6.909 1.795 347 HB2 TRP 49 1HB TRP 49 0.781 -8.970 2.501 348 HB3 TRP 49 2HB TRP 49 0.706 -7.332 3.145 349 HD1 TRP 49 HD TRP 49 -1.549 -10.495 3.080 350 HE1 TRP 49 1HE TRP 49 -2.819 -10.602 5.316 351 HE3 TRP 49 3HE TRP 49 0.124 -6.141 5.172 352 HZ2 TRP 49 2HZ TRP 49 -3.078 -9.046 7.657 353 HZ3 TRP 49 3HZ TRP 49 -0.684 -5.522 7.412 354 HH2 TRP 49 HH TRP 49 -2.252 -6.946 8.627 355 H VAL 50 H VAL 50 0.312 -5.362 1.330 356 HA VAL 50 HA VAL 50 2.123 -6.048 -0.880 357 HB VAL 50 HB VAL 50 1.608 -3.936 -2.013 358 HG11 VAL 50 1HG1 VAL 50 -0.898 -5.545 -1.543 359 HG12 VAL 50 2HG1 VAL 50 -0.503 -4.578 -2.966 360 HG13 VAL 50 3HG1 VAL 50 0.421 -6.037 -2.604 361 HG21 VAL 50 1HG2 VAL 50 -0.593 -3.651 0.031 362 HG22 VAL 50 2HG2 VAL 50 0.869 -2.667 -0.049 363 HG23 VAL 50 3HG2 VAL 50 -0.316 -2.594 -1.354 364 H LYS 51 H LYS 51 3.805 -4.359 -1.228 365 HA LYS 51 HA LYS 51 4.661 -3.278 1.367 366 HB2 LYS 51 1HB LYS 51 6.058 -4.951 -0.106 367 HB3 LYS 51 2HB LYS 51 6.484 -3.496 -0.996 368 HG2 LYS 51 1HG LYS 51 7.386 -2.495 1.021 369 HG3 LYS 51 2HG LYS 51 6.904 -3.912 1.957 370 HD2 LYS 51 1HD LYS 51 8.348 -5.147 0.097 371 HD3 LYS 51 2HD LYS 51 9.137 -3.569 0.028 372 HE2 LYS 51 1HE LYS 51 10.397 -4.534 1.661 373 HE3 LYS 51 2HE LYS 51 9.112 -3.862 2.663 374 HZ1 LYS 51 1HZ LYS 51 7.991 -6.078 2.440 375 HZ2 LYS 51 2HZ LYS 51 9.418 -6.081 3.348 376 HZ3 LYS 51 3HZ LYS 51 9.424 -6.667 1.761 377 H ALA 52 H ALA 52 4.405 -1.173 1.658 378 HA ALA 52 HA ALA 52 4.875 0.644 -0.598 379 HB1 ALA 52 1HB ALA 52 2.554 0.630 -0.639 380 HB2 ALA 52 2HB ALA 52 2.424 0.516 1.117 381 HB3 ALA 52 3HB ALA 52 2.926 2.031 0.367 382 H ARG 53 H ARG 53 5.763 2.622 -0.062 383 HA ARG 53 HA ARG 53 6.671 2.866 2.727 384 HB2 ARG 53 1HB ARG 53 8.374 2.603 0.844 385 HB3 ARG 53 2HB ARG 53 7.909 4.222 0.337 386 HG2 ARG 53 1HG ARG 53 8.429 4.798 2.851 387 HG3 ARG 53 2HG ARG 53 9.422 3.343 2.738 388 HD2 ARG 53 1HD ARG 53 10.954 4.893 2.070 389 HD3 ARG 53 2HD ARG 53 10.232 4.510 0.507 390 HE ARG 53 HE ARG 53 8.994 6.710 1.910 391 HH11 ARG 53 2HH1 ARG 53 11.433 5.728 -0.371 392 HH12 ARG 53 1HH1 ARG 53 11.535 7.282 -1.130 393 HH21 ARG 53 2HH2 ARG 53 9.119 8.761 0.920 394 HH22 ARG 53 1HH2 ARG 53 10.219 9.007 -0.395 395 H ASN 54 H ASN 54 6.040 4.559 3.905 396 HA ASN 54 HA ASN 54 4.249 6.499 2.724 397 HB2 ASN 54 1HB ASN 54 4.285 7.350 5.198 398 HB3 ASN 54 2HB ASN 54 3.467 5.840 4.809 399 HD21 ASN 54 1HD2 ASN 54 3.763 5.410 7.094 400 HD22 ASN 54 2HD2 ASN 54 5.259 4.737 7.637 401 H LYS 55 H LYS 55 4.613 8.805 3.988 402 HA LYS 55 HA LYS 55 6.696 10.052 2.598 403 HB2 LYS 55 1HB LYS 55 6.198 12.025 3.996 404 HB3 LYS 55 2HB LYS 55 4.742 11.286 3.344 405 HG2 LYS 55 1HG LYS 55 4.348 10.182 5.496 406 HG3 LYS 55 2HG LYS 55 5.794 10.957 6.147 407 HD2 LYS 55 1HD LYS 55 4.781 13.161 5.689 408 HD3 LYS 55 2HD LYS 55 3.320 12.349 5.120 409 HE2 LYS 55 1HE LYS 55 2.742 12.799 7.295 410 HE3 LYS 55 2HE LYS 55 3.427 11.184 7.465 411 HZ1 LYS 55 1HZ LYS 55 4.213 13.489 8.778 412 HZ2 LYS 55 2HZ LYS 55 5.462 13.133 7.695 413 HZ3 LYS 55 3HZ LYS 55 4.967 11.975 8.825 414 H VAL 56 H VAL 56 6.456 9.182 6.039 415 HA VAL 56 HA VAL 56 8.922 10.158 6.877 416 HB VAL 56 HB VAL 56 8.797 8.458 8.693 417 HG11 VAL 56 1HG1 VAL 56 7.637 10.154 9.564 418 HG12 VAL 56 2HG1 VAL 56 6.810 10.477 8.039 419 HG13 VAL 56 3HG1 VAL 56 6.190 9.242 9.136 420 HG21 VAL 56 1HG2 VAL 56 6.132 7.533 8.100 421 HG22 VAL 56 2HG2 VAL 56 7.261 7.050 6.834 422 HG23 VAL 56 3HG2 VAL 56 7.574 6.607 8.512 423 H GLY 57 H GLY 57 8.145 7.320 5.032 424 HA2 GLY 57 1HA GLY 57 9.910 6.394 3.636 425 HA3 GLY 57 2HA GLY 57 11.018 6.647 4.977 426 H GLN 58 H GLN 58 8.499 5.629 6.603 427 HA GLN 58 HA GLN 58 9.502 3.013 6.998 428 HB2 GLN 58 1HB GLN 58 7.116 4.535 7.960 429 HB3 GLN 58 2HB GLN 58 7.171 2.796 8.211 430 HG2 GLN 58 1HG GLN 58 9.482 3.222 9.241 431 HG3 GLN 58 2HG GLN 58 8.978 4.909 9.313 432 HE21 GLN 58 1HE2 GLN 58 8.932 5.007 11.528 433 HE22 GLN 58 2HE2 GLN 58 7.757 4.177 12.484 434 H VAL 59 H VAL 59 9.290 1.368 5.644 435 HA VAL 59 HA VAL 59 6.775 1.109 4.127 436 HB VAL 59 HB VAL 59 8.500 1.565 2.548 437 HG11 VAL 59 1HG1 VAL 59 10.403 -0.373 2.603 438 HG12 VAL 59 2HG1 VAL 59 10.586 1.232 3.315 439 HG13 VAL 59 3HG1 VAL 59 10.104 -0.132 4.324 440 HG21 VAL 59 1HG2 VAL 59 8.654 -0.650 1.324 441 HG22 VAL 59 2HG2 VAL 59 7.788 -1.354 2.689 442 HG23 VAL 59 3HG2 VAL 59 7.030 -0.089 1.723 443 H GLY 60 H GLY 60 5.605 -0.637 4.576 444 HA2 GLY 60 1HA GLY 60 6.949 -3.111 5.377 445 HA3 GLY 60 2HA GLY 60 5.786 -2.421 6.499 446 H TYR 61 H TYR 61 4.701 -4.508 6.209 447 HA TYR 61 HA TYR 61 3.371 -4.893 3.644 448 HB2 TYR 61 1HB TYR 61 3.349 -6.564 6.165 449 HB3 TYR 61 2HB TYR 61 2.540 -6.998 4.663 450 HD1 TYR 61 2HD TYR 61 4.586 -6.226 2.672 451 HD2 TYR 61 1HD TYR 61 4.999 -8.194 6.421 452 HE1 TYR 61 2HE TYR 61 6.646 -7.306 1.871 453 HE2 TYR 61 1HE TYR 61 7.061 -9.278 5.632 454 HH TYR 61 HH TYR 61 8.844 -8.318 3.243 455 H VAL 62 H VAL 62 1.261 -4.515 3.265 456 HA VAL 62 HA VAL 62 -0.549 -3.986 5.491 457 HB VAL 62 HB VAL 62 -1.377 -1.899 4.457 458 HG11 VAL 62 1HG1 VAL 62 1.472 -2.072 5.378 459 HG12 VAL 62 2HG1 VAL 62 0.722 -0.521 4.994 460 HG13 VAL 62 3HG1 VAL 62 0.049 -1.536 6.270 461 HG21 VAL 62 1HG2 VAL 62 0.875 -1.162 2.904 462 HG22 VAL 62 2HG2 VAL 62 0.307 -2.726 2.317 463 HG23 VAL 62 3HG2 VAL 62 -0.799 -1.354 2.383 464 HA PRO 63 HA PRO 63 -3.475 -6.054 2.951 465 HB2 PRO 63 1HB PRO 63 -5.787 -4.936 3.830 466 HB3 PRO 63 2HB PRO 63 -4.853 -6.091 4.789 467 HG2 PRO 63 1HG PRO 63 -4.921 -3.103 4.961 468 HG3 PRO 63 2HG PRO 63 -4.925 -4.299 6.270 469 HD2 PRO 63 1HD PRO 63 -2.691 -2.963 5.526 470 HD3 PRO 63 2HD PRO 63 -2.647 -4.624 6.151 471 H GLU 64 H GLU 64 -3.566 -5.640 0.829 472 HA GLU 64 HA GLU 64 -3.648 -3.161 -0.400 473 HB2 GLU 64 1HB GLU 64 -3.079 -5.307 -1.521 474 HB3 GLU 64 2HB GLU 64 -4.784 -5.737 -1.500 475 HG2 GLU 64 1HG GLU 64 -3.965 -3.168 -2.756 476 HG3 GLU 64 2HG GLU 64 -3.679 -4.677 -3.622 477 H LYS 65 H LYS 65 -6.355 -5.362 0.287 478 HA LYS 65 HA LYS 65 -8.474 -4.140 -0.832 479 HB2 LYS 65 1HB LYS 65 -9.852 -4.920 1.033 480 HB3 LYS 65 2HB LYS 65 -8.664 -6.134 0.578 481 HG2 LYS 65 1HG LYS 65 -7.265 -4.943 2.485 482 HG3 LYS 65 2HG LYS 65 -8.882 -4.521 3.054 483 HD2 LYS 65 1HD LYS 65 -8.055 -7.332 2.352 484 HD3 LYS 65 2HD LYS 65 -7.925 -6.662 3.980 485 HE2 LYS 65 1HE LYS 65 -10.508 -6.632 2.446 486 HE3 LYS 65 2HE LYS 65 -10.018 -8.019 3.417 487 HZ1 LYS 65 1HZ LYS 65 -10.249 -6.859 5.358 488 HZ2 LYS 65 2HZ LYS 65 -11.475 -6.142 4.441 489 HZ3 LYS 65 3HZ LYS 65 -9.994 -5.350 4.638 490 H TYR 66 H TYR 66 -6.842 -3.062 2.115 491 HA TYR 66 HA TYR 66 -8.621 -0.947 2.708 492 HB2 TYR 66 1HB TYR 66 -5.814 -1.621 3.520 493 HB3 TYR 66 2HB TYR 66 -6.502 -0.062 3.958 494 HD1 TYR 66 1HD TYR 66 -7.373 -3.696 4.091 495 HD2 TYR 66 2HD TYR 66 -7.596 0.109 5.984 496 HE1 TYR 66 1HE TYR 66 -8.470 -4.733 6.033 497 HE2 TYR 66 2HE TYR 66 -8.692 -0.918 7.932 498 HH TYR 66 HH TYR 66 -8.736 -3.301 8.975 499 H LEU 67 H LEU 67 -5.702 -1.154 0.749 500 HA LEU 67 HA LEU 67 -5.560 1.665 0.249 501 HB2 LEU 67 1HB LEU 67 -4.251 -0.652 -1.167 502 HB3 LEU 67 2HB LEU 67 -3.861 1.047 -1.422 503 HG LEU 67 HG LEU 67 -3.448 -0.488 1.144 504 HD11 LEU 67 1HD1 LEU 67 -1.402 0.557 -0.804 505 HD12 LEU 67 2HD1 LEU 67 -1.943 -1.120 -0.736 506 HD13 LEU 67 3HD1 LEU 67 -1.111 -0.405 0.645 507 HD21 LEU 67 1HD2 LEU 67 -2.160 1.545 1.791 508 HD22 LEU 67 2HD2 LEU 67 -3.898 1.809 1.645 509 HD23 LEU 67 3HD2 LEU 67 -2.812 2.353 0.365 510 H GLN 68 H GLN 68 -5.841 2.674 -1.831 511 HA GLN 68 HA GLN 68 -7.849 1.319 -3.508 512 HB2 GLN 68 1HB GLN 68 -8.665 3.269 -2.081 513 HB3 GLN 68 2HB GLN 68 -7.683 4.302 -3.112 514 HG2 GLN 68 1HG GLN 68 -9.915 4.375 -3.917 515 HG3 GLN 68 2HG GLN 68 -8.956 3.448 -5.070 516 HE21 GLN 68 1HE2 GLN 68 -9.650 1.500 -5.634 517 HE22 GLN 68 2HE2 GLN 68 -10.914 0.620 -4.853 518 H PHE 69 H PHE 69 -6.335 0.564 -4.993 519 HA PHE 69 HA PHE 69 -4.308 2.126 -6.162 520 HB2 PHE 69 1HB PHE 69 -5.693 -0.417 -6.960 521 HB3 PHE 69 2HB PHE 69 -4.527 0.341 -8.039 522 HD1 PHE 69 1HD PHE 69 -4.738 -0.433 -4.390 523 HD2 PHE 69 2HD PHE 69 -2.437 -0.579 -7.968 524 HE1 PHE 69 1HE PHE 69 -2.904 -1.521 -3.162 525 HE2 PHE 69 2HE PHE 69 -0.600 -1.668 -6.746 526 HZ PHE 69 HZ PHE 69 -0.833 -2.141 -4.340 527 HA PRO 70 HA PRO 70 -6.353 4.623 -9.134 528 HB2 PRO 70 1HB PRO 70 -4.561 4.624 -11.173 529 HB3 PRO 70 2HB PRO 70 -4.292 5.492 -9.657 530 HG2 PRO 70 1HG PRO 70 -3.242 2.827 -10.525 531 HG3 PRO 70 2HG PRO 70 -2.396 4.146 -9.694 532 HD2 PRO 70 1HD PRO 70 -3.326 1.962 -8.390 533 HD3 PRO 70 2HD PRO 70 -3.254 3.567 -7.635 534 H THR 71 H THR 71 -8.059 2.985 -9.442 535 HA THR 71 HA THR 71 -8.046 2.024 -12.203 536 HB THR 71 HB THR 71 -8.887 0.248 -9.906 537 HG1 THR 71 1HG THR 71 -6.485 0.515 -11.322 538 HG21 THR 71 1HG2 THR 71 -9.436 0.202 -12.718 539 HG22 THR 71 2HG2 THR 71 -9.978 -0.913 -11.464 540 HG23 THR 71 3HG2 THR 71 -8.445 -1.191 -12.290 541 H SER 72 H SER 72 -9.983 2.206 -13.209 542 HA SER 72 HA SER 72 -12.050 3.680 -11.867 543 HB2 SER 72 1HB SER 72 -11.482 4.137 -14.218 544 HB3 SER 72 2HB SER 72 -11.992 2.508 -14.660 545 HG SER 72 HG SER 72 -13.970 3.189 -14.699 546 H SER 73 H SER 73 -13.878 2.941 -10.987 547 HA SER 73 HA SER 73 -14.910 0.316 -11.704 548 HB2 SER 73 1HB SER 73 -13.796 1.011 -9.006 549 HB3 SER 73 2HB SER 73 -15.137 -0.127 -9.134 550 HG SER 73 HG SER 73 -13.762 -1.269 -10.688 551 H GLY 74 H GLY 74 -16.966 -0.105 -10.263 552 HA2 GLY 74 1HA GLY 74 -18.456 1.838 -9.046 553 HA3 GLY 74 2HA GLY 74 -18.716 2.116 -10.761 554 HA PRO 75 HA PRO 75 -21.577 -1.233 -8.995 555 HB2 PRO 75 1HB PRO 75 -23.890 0.188 -9.061 556 HB3 PRO 75 2HB PRO 75 -22.828 0.146 -7.648 557 HG2 PRO 75 1HG PRO 75 -23.062 2.233 -9.782 558 HG3 PRO 75 2HG PRO 75 -22.910 2.439 -8.027 559 HD2 PRO 75 1HD PRO 75 -20.812 2.728 -9.715 560 HD3 PRO 75 2HD PRO 75 -20.628 2.113 -8.060 561 H SER 76 H SER 76 -21.310 -2.340 -10.936 562 HA SER 76 HA SER 76 -23.460 -2.265 -12.753 563 HB2 SER 76 1HB SER 76 -22.390 -1.462 -14.765 564 HB3 SER 76 2HB SER 76 -22.238 -0.219 -13.524 565 HG SER 76 HG SER 76 -20.111 -0.861 -13.191 566 H SER 77 H SER 77 -23.611 -4.177 -13.787 567 HA SER 77 HA SER 77 -21.621 -6.180 -13.215 568 HB2 SER 77 1HB SER 77 -24.126 -6.572 -13.179 569 HB3 SER 77 2HB SER 77 -24.082 -6.498 -14.941 570 HG SER 77 HG SER 77 -22.974 -8.352 -15.011 571 H GLY 78 H GLY 78 -19.783 -5.845 -14.382 572 HA2 GLY 78 1HA GLY 78 -20.083 -5.832 -17.323 573 HA3 GLY 78 2HA GLY 78 -18.795 -4.982 -16.482 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -0.141 -22.088 -25.793 2 HA2 GLY 1 1HA GLY 1 -1.317 -21.174 -23.987 3 HA3 GLY 1 2HA GLY 1 -1.093 -19.575 -24.679 4 H SER 2 H SER 2 -3.519 -20.302 -23.624 5 HA SER 2 HA SER 2 -5.286 -21.296 -25.651 6 HB2 SER 2 1HB SER 2 -5.656 -21.495 -23.151 7 HB3 SER 2 2HB SER 2 -6.062 -19.779 -23.154 8 HG SER 2 HG SER 2 -7.718 -21.687 -23.565 9 H SER 3 H SER 3 -6.916 -20.136 -26.747 10 HA SER 3 HA SER 3 -6.092 -17.490 -27.549 11 HB2 SER 3 1HB SER 3 -6.948 -19.220 -29.157 12 HB3 SER 3 2HB SER 3 -8.544 -19.029 -28.430 13 HG SER 3 HG SER 3 -7.914 -17.716 -30.394 14 H GLY 4 H GLY 4 -6.477 -16.044 -25.923 15 HA2 GLY 4 1HA GLY 4 -9.143 -15.087 -25.626 16 HA3 GLY 4 2HA GLY 4 -8.626 -15.948 -24.184 17 H SER 5 H SER 5 -9.129 -13.643 -23.411 18 HA SER 5 HA SER 5 -7.229 -11.595 -23.980 19 HB2 SER 5 1HB SER 5 -9.140 -11.851 -21.646 20 HB3 SER 5 2HB SER 5 -8.287 -10.384 -22.124 21 HG SER 5 HG SER 5 -9.421 -10.951 -24.277 22 H SER 6 H SER 6 -5.546 -10.817 -22.699 23 HA SER 6 HA SER 6 -4.128 -12.833 -21.229 24 HB2 SER 6 1HB SER 6 -2.875 -11.298 -22.628 25 HB3 SER 6 2HB SER 6 -3.507 -9.914 -21.737 26 HG SER 6 HG SER 6 -1.304 -11.099 -21.227 27 H GLY 7 H GLY 7 -3.855 -13.038 -19.067 28 HA2 GLY 7 1HA GLY 7 -5.745 -12.081 -17.282 29 HA3 GLY 7 2HA GLY 7 -4.172 -12.712 -16.816 30 H THR 8 H THR 8 -5.437 -10.698 -15.384 31 HA THR 8 HA THR 8 -4.513 -8.111 -16.161 32 HB THR 8 HB THR 8 -6.481 -8.527 -14.651 33 HG1 THR 8 1HG THR 8 -5.663 -6.454 -14.692 34 HG21 THR 8 1HG2 THR 8 -4.420 -8.875 -12.482 35 HG22 THR 8 2HG2 THR 8 -5.235 -10.237 -13.251 36 HG23 THR 8 3HG2 THR 8 -6.171 -9.038 -12.358 37 H LEU 9 H LEU 9 -2.997 -6.803 -14.902 38 HA LEU 9 HA LEU 9 -1.030 -8.204 -13.303 39 HB2 LEU 9 1HB LEU 9 0.855 -7.682 -14.668 40 HB3 LEU 9 2HB LEU 9 -0.315 -8.563 -15.649 41 HG LEU 9 HG LEU 9 0.159 -5.583 -15.729 42 HD11 LEU 9 1HD1 LEU 9 1.611 -5.889 -17.403 43 HD12 LEU 9 2HD1 LEU 9 0.671 -7.202 -18.111 44 HD13 LEU 9 3HD1 LEU 9 1.764 -7.527 -16.766 45 HD21 LEU 9 1HD2 LEU 9 -1.195 -6.291 -17.998 46 HD22 LEU 9 2HD2 LEU 9 -1.916 -5.556 -16.565 47 HD23 LEU 9 3HD2 LEU 9 -1.956 -7.308 -16.774 48 H ARG 10 H ARG 10 0.842 -6.542 -12.801 49 HA ARG 10 HA ARG 10 -0.454 -3.964 -12.201 50 HB2 ARG 10 1HB ARG 10 1.644 -5.459 -10.618 51 HB3 ARG 10 2HB ARG 10 1.041 -3.855 -10.223 52 HG2 ARG 10 1HG ARG 10 -0.618 -6.366 -10.321 53 HG3 ARG 10 2HG ARG 10 0.002 -5.597 -8.858 54 HD2 ARG 10 1HD ARG 10 -2.082 -4.679 -8.896 55 HD3 ARG 10 2HD ARG 10 -1.235 -3.493 -9.888 56 HE ARG 10 HE ARG 10 -2.307 -5.584 -11.482 57 HH11 ARG 10 2HH1 ARG 10 -3.188 -2.705 -9.732 58 HH12 ARG 10 1HH1 ARG 10 -4.566 -2.366 -10.725 59 HH21 ARG 10 2HH2 ARG 10 -4.120 -5.148 -12.797 60 HH22 ARG 10 1HH2 ARG 10 -5.096 -3.757 -12.467 61 H ASN 11 H ASN 11 1.083 -2.132 -11.922 62 HA ASN 11 HA ASN 11 3.490 -2.397 -13.583 63 HB2 ASN 11 1HB ASN 11 1.375 -1.379 -14.751 64 HB3 ASN 11 2HB ASN 11 1.787 0.059 -13.821 65 HD21 ASN 11 1HD2 ASN 11 1.873 -0.713 -16.753 66 HD22 ASN 11 2HD2 ASN 11 3.454 -0.235 -17.261 67 H TYR 12 H TYR 12 3.850 -2.475 -10.993 68 HA TYR 12 HA TYR 12 3.895 -0.132 -9.504 69 HB2 TYR 12 1HB TYR 12 5.885 -2.407 -9.378 70 HB3 TYR 12 2HB TYR 12 5.582 -1.224 -8.110 71 HD1 TYR 12 2HD TYR 12 2.462 -1.331 -8.795 72 HD2 TYR 12 1HD TYR 12 5.416 -4.216 -7.771 73 HE1 TYR 12 2HE TYR 12 0.711 -2.782 -7.858 74 HE2 TYR 12 1HE TYR 12 3.674 -5.676 -6.832 75 HH TYR 12 HH TYR 12 0.297 -4.630 -6.662 76 HA PRO 13 HA PRO 13 5.337 0.736 -7.871 77 HB2 PRO 13 1HB PRO 13 5.554 3.426 -7.575 78 HB3 PRO 13 2HB PRO 13 6.907 2.319 -7.314 79 HG2 PRO 13 1HG PRO 13 6.263 3.991 -9.713 80 HG3 PRO 13 2HG PRO 13 7.830 3.713 -8.930 81 HD2 PRO 13 1HD PRO 13 7.076 2.413 -11.182 82 HD3 PRO 13 2HD PRO 13 8.122 1.670 -9.956 83 H LEU 14 H LEU 14 3.368 1.507 -7.029 84 HA LEU 14 HA LEU 14 1.605 2.922 -8.903 85 HB2 LEU 14 1HB LEU 14 1.172 0.271 -7.607 86 HB3 LEU 14 2HB LEU 14 -0.212 1.327 -7.885 87 HG LEU 14 HG LEU 14 1.651 0.269 -10.011 88 HD11 LEU 14 1HD1 LEU 14 -1.012 -0.606 -8.986 89 HD12 LEU 14 2HD1 LEU 14 0.392 -1.571 -9.440 90 HD13 LEU 14 3HD1 LEU 14 -0.610 -0.830 -10.688 91 HD21 LEU 14 1HD2 LEU 14 -0.319 1.148 -11.451 92 HD22 LEU 14 2HD2 LEU 14 0.904 2.281 -10.874 93 HD23 LEU 14 3HD2 LEU 14 -0.656 2.172 -10.055 94 H THR 15 H THR 15 1.137 4.763 -7.900 95 HA THR 15 HA THR 15 1.204 5.104 -5.084 96 HB THR 15 HB THR 15 -0.265 6.980 -6.912 97 HG1 THR 15 1HG THR 15 2.510 7.234 -6.579 98 HG21 THR 15 1HG2 THR 15 0.790 8.663 -5.418 99 HG22 THR 15 2HG2 THR 15 1.479 7.342 -4.475 100 HG23 THR 15 3HG2 THR 15 -0.270 7.542 -4.564 101 H CYS 16 H CYS 16 -0.323 4.800 -3.593 102 HA CYS 16 HA CYS 16 -3.103 4.438 -4.497 103 HB2 CYS 16 1HB CYS 16 -3.312 2.846 -2.524 104 HB3 CYS 16 2HB CYS 16 -2.362 2.270 -3.888 105 HG CYS 16 HG CYS 16 0.093 2.624 -2.701 106 H LYS 17 H LYS 17 -4.742 4.897 -2.855 107 HA LYS 17 HA LYS 17 -3.837 6.964 -0.957 108 HB2 LYS 17 1HB LYS 17 -5.075 8.061 -2.672 109 HB3 LYS 17 2HB LYS 17 -6.332 6.830 -2.647 110 HG2 LYS 17 1HG LYS 17 -7.339 8.560 -1.522 111 HG3 LYS 17 2HG LYS 17 -6.678 7.606 -0.192 112 HD2 LYS 17 1HD LYS 17 -5.961 9.689 0.425 113 HD3 LYS 17 2HD LYS 17 -4.590 9.182 -0.566 114 HE2 LYS 17 1HE LYS 17 -5.498 10.386 -2.471 115 HE3 LYS 17 2HE LYS 17 -6.920 10.839 -1.533 116 HZ1 LYS 17 1HZ LYS 17 -5.665 12.697 -1.271 117 HZ2 LYS 17 2HZ LYS 17 -4.190 11.877 -1.389 118 HZ3 LYS 17 3HZ LYS 17 -5.080 11.813 0.048 119 H VAL 18 H VAL 18 -3.930 6.167 1.037 120 HA VAL 18 HA VAL 18 -5.458 3.957 1.845 121 HB VAL 18 HB VAL 18 -4.301 6.163 3.555 122 HG11 VAL 18 1HG1 VAL 18 -4.330 4.347 5.315 123 HG12 VAL 18 2HG1 VAL 18 -5.899 5.022 4.874 124 HG13 VAL 18 3HG1 VAL 18 -5.405 3.451 4.243 125 HG21 VAL 18 1HG2 VAL 18 -3.017 4.231 1.982 126 HG22 VAL 18 2HG2 VAL 18 -2.297 5.258 3.222 127 HG23 VAL 18 3HG2 VAL 18 -2.899 3.656 3.645 128 H VAL 19 H VAL 19 -7.620 3.979 1.641 129 HA VAL 19 HA VAL 19 -9.149 6.348 2.361 130 HB VAL 19 HB VAL 19 -11.109 4.776 1.710 131 HG11 VAL 19 1HG1 VAL 19 -9.180 5.494 -0.483 132 HG12 VAL 19 2HG1 VAL 19 -10.943 5.458 -0.547 133 HG13 VAL 19 3HG1 VAL 19 -10.119 6.700 0.397 134 HG21 VAL 19 1HG2 VAL 19 -9.036 3.328 0.127 135 HG22 VAL 19 2HG2 VAL 19 -9.394 2.800 1.771 136 HG23 VAL 19 3HG2 VAL 19 -10.672 2.832 0.556 137 H TYR 20 H TYR 20 -8.369 3.204 3.624 138 HA TYR 20 HA TYR 20 -10.150 3.713 5.918 139 HB2 TYR 20 1HB TYR 20 -9.434 1.178 4.494 140 HB3 TYR 20 2HB TYR 20 -9.847 1.121 6.204 141 HD1 TYR 20 2HD TYR 20 -11.198 2.835 3.160 142 HD2 TYR 20 1HD TYR 20 -12.019 0.494 6.616 143 HE1 TYR 20 2HE TYR 20 -13.588 2.822 2.577 144 HE2 TYR 20 1HE TYR 20 -14.410 0.473 6.042 145 HH TYR 20 HH TYR 20 -15.586 1.346 3.041 146 H SER 21 H SER 21 -9.153 4.119 7.768 147 HA SER 21 HA SER 21 -6.334 4.022 8.030 148 HB2 SER 21 1HB SER 21 -6.640 4.969 10.155 149 HB3 SER 21 2HB SER 21 -8.040 5.543 9.250 150 HG SER 21 HG SER 21 -9.319 4.361 10.457 151 H TYR 22 H TYR 22 -5.009 2.636 9.149 152 HA TYR 22 HA TYR 22 -6.167 0.321 10.486 153 HB2 TYR 22 1HB TYR 22 -5.899 -0.324 8.095 154 HB3 TYR 22 2HB TYR 22 -4.176 0.009 8.230 155 HD1 TYR 22 2HD TYR 22 -6.873 -2.091 9.714 156 HD2 TYR 22 1HD TYR 22 -2.718 -1.680 8.896 157 HE1 TYR 22 2HE TYR 22 -6.497 -4.391 10.498 158 HE2 TYR 22 1HE TYR 22 -2.330 -3.980 9.677 159 HH TYR 22 HH TYR 22 -3.922 -6.164 9.829 160 H LYS 23 H LYS 23 -5.124 0.012 12.329 161 HA LYS 23 HA LYS 23 -2.528 1.263 12.740 162 HB2 LYS 23 1HB LYS 23 -4.667 0.171 14.510 163 HB3 LYS 23 2HB LYS 23 -3.025 0.238 15.136 164 HG2 LYS 23 1HG LYS 23 -3.766 2.266 15.829 165 HG3 LYS 23 2HG LYS 23 -3.168 2.719 14.231 166 HD2 LYS 23 1HD LYS 23 -5.397 2.579 13.312 167 HD3 LYS 23 2HD LYS 23 -6.028 1.975 14.845 168 HE2 LYS 23 1HE LYS 23 -6.591 4.215 14.933 169 HE3 LYS 23 2HE LYS 23 -5.065 4.182 15.815 170 HZ1 LYS 23 1HZ LYS 23 -4.475 5.801 14.420 171 HZ2 LYS 23 2HZ LYS 23 -5.714 5.461 13.321 172 HZ3 LYS 23 3HZ LYS 23 -4.271 4.580 13.267 173 H ALA 24 H ALA 24 -0.772 0.138 12.236 174 HA ALA 24 HA ALA 24 -0.691 -2.644 11.839 175 HB1 ALA 24 1HB ALA 24 1.702 -0.932 12.457 176 HB2 ALA 24 2HB ALA 24 1.629 -2.397 11.476 177 HB3 ALA 24 3HB ALA 24 0.885 -0.908 10.893 178 H SER 25 H SER 25 -0.346 -4.314 13.171 179 HA SER 25 HA SER 25 0.146 -3.715 16.003 180 HB2 SER 25 1HB SER 25 -1.237 -5.973 14.583 181 HB3 SER 25 2HB SER 25 -0.642 -6.188 16.229 182 HG SER 25 HG SER 25 -2.572 -5.384 16.636 183 H GLN 26 H GLN 26 1.309 -5.593 13.282 184 HA GLN 26 HA GLN 26 3.410 -6.801 14.906 185 HB2 GLN 26 1HB GLN 26 2.293 -7.284 12.188 186 HB3 GLN 26 2HB GLN 26 3.970 -7.730 12.474 187 HG2 GLN 26 1HG GLN 26 2.948 -8.906 14.592 188 HG3 GLN 26 2HG GLN 26 1.479 -8.871 13.619 189 HE21 GLN 26 1HE2 GLN 26 3.269 -11.080 14.530 190 HE22 GLN 26 2HE2 GLN 26 3.665 -11.948 13.090 191 HA PRO 27 HA PRO 27 6.570 -3.974 13.777 192 HB2 PRO 27 1HB PRO 27 8.731 -5.613 13.668 193 HB3 PRO 27 2HB PRO 27 7.956 -5.145 15.186 194 HG2 PRO 27 1HG PRO 27 7.651 -7.667 13.603 195 HG3 PRO 27 2HG PRO 27 7.816 -7.460 15.356 196 HD2 PRO 27 1HD PRO 27 5.426 -7.891 14.158 197 HD3 PRO 27 2HD PRO 27 5.594 -6.906 15.626 198 H ASP 28 H ASP 28 5.594 -6.467 11.706 199 HA ASP 28 HA ASP 28 7.423 -5.671 9.564 200 HB2 ASP 28 1HB ASP 28 5.365 -7.888 9.643 201 HB3 ASP 28 2HB ASP 28 6.508 -7.595 8.336 202 H GLU 29 H GLU 29 4.185 -5.241 10.642 203 HA GLU 29 HA GLU 29 3.061 -4.535 8.106 204 HB2 GLU 29 1HB GLU 29 2.167 -4.433 10.948 205 HB3 GLU 29 2HB GLU 29 1.325 -3.422 9.782 206 HG2 GLU 29 1HG GLU 29 0.087 -5.397 9.876 207 HG3 GLU 29 2HG GLU 29 1.032 -5.524 8.393 208 H LEU 30 H LEU 30 1.987 -2.306 7.886 209 HA LEU 30 HA LEU 30 3.887 -0.222 8.740 210 HB2 LEU 30 1HB LEU 30 3.753 -1.029 6.229 211 HB3 LEU 30 2HB LEU 30 2.366 0.058 6.197 212 HG LEU 30 HG LEU 30 4.554 1.018 5.388 213 HD11 LEU 30 1HD1 LEU 30 3.334 2.841 5.746 214 HD12 LEU 30 2HD1 LEU 30 4.141 2.974 7.308 215 HD13 LEU 30 3HD1 LEU 30 2.588 2.147 7.186 216 HD21 LEU 30 1HD2 LEU 30 6.348 1.267 6.732 217 HD22 LEU 30 2HD2 LEU 30 5.641 -0.110 7.577 218 HD23 LEU 30 3HD2 LEU 30 5.368 1.527 8.175 219 H THR 31 H THR 31 2.890 1.004 10.195 220 HA THR 31 HA THR 31 0.130 1.219 10.565 221 HB THR 31 HB THR 31 2.168 3.308 11.351 222 HG1 THR 31 1HG THR 31 2.716 2.030 13.004 223 HG21 THR 31 1HG2 THR 31 -0.142 2.608 13.063 224 HG22 THR 31 2HG2 THR 31 -0.503 3.485 11.576 225 HG23 THR 31 3HG2 THR 31 0.610 4.173 12.758 226 H ILE 32 H ILE 32 -1.333 2.098 9.271 227 HA ILE 32 HA ILE 32 -0.575 4.473 7.697 228 HB ILE 32 HB ILE 32 -2.246 3.812 6.035 229 HG12 ILE 32 1HG1 ILE 32 -2.546 1.311 7.712 230 HG13 ILE 32 2HG1 ILE 32 -3.756 2.578 7.538 231 HG21 ILE 32 1HG2 ILE 32 -1.074 1.597 5.349 232 HG22 ILE 32 2HG2 ILE 32 -0.143 3.093 5.407 233 HG23 ILE 32 3HG2 ILE 32 -0.030 1.932 6.730 234 HD11 ILE 32 1HD1 ILE 32 -4.583 1.245 5.950 235 HD12 ILE 32 2HD1 ILE 32 -3.298 1.919 4.948 236 HD13 ILE 32 3HD1 ILE 32 -3.066 0.368 5.753 237 H GLU 33 H GLU 33 -2.628 5.726 6.997 238 HA GLU 33 HA GLU 33 -4.790 5.697 8.913 239 HB2 GLU 33 1HB GLU 33 -2.615 7.722 8.992 240 HB3 GLU 33 2HB GLU 33 -4.260 8.303 9.206 241 HG2 GLU 33 1HG GLU 33 -4.426 6.404 10.966 242 HG3 GLU 33 2HG GLU 33 -2.665 6.468 10.933 243 H GLU 34 H GLU 34 -6.626 6.683 8.154 244 HA GLU 34 HA GLU 34 -7.153 6.868 5.505 245 HB2 GLU 34 1HB GLU 34 -8.758 7.090 7.493 246 HB3 GLU 34 2HB GLU 34 -8.401 8.810 7.439 247 HG2 GLU 34 1HG GLU 34 -9.378 9.063 5.326 248 HG3 GLU 34 2HG GLU 34 -9.383 7.325 5.028 249 H HIS 35 H HIS 35 -7.056 8.374 3.885 250 HA HIS 35 HA HIS 35 -6.395 10.222 2.724 251 HB2 HIS 35 1HB HIS 35 -5.841 11.700 5.276 252 HB3 HIS 35 2HB HIS 35 -6.441 12.322 3.741 253 HD1 HIS 35 1HD HIS 35 -8.978 11.258 3.156 254 HD2 HIS 35 2HD HIS 35 -7.791 11.530 7.128 255 HE1 HIS 35 1HE HIS 35 -11.101 11.167 4.500 256 HE2 HIS 35 2HE HIS 35 -10.365 11.419 6.895 257 H GLU 36 H GLU 36 -4.548 8.210 3.302 258 HA GLU 36 HA GLU 36 -2.055 9.767 3.506 259 HB2 GLU 36 1HB GLU 36 -2.350 8.349 5.487 260 HB3 GLU 36 2HB GLU 36 -2.530 6.937 4.456 261 HG2 GLU 36 1HG GLU 36 -0.339 6.773 5.125 262 HG3 GLU 36 2HG GLU 36 -0.188 7.587 3.569 263 H VAL 37 H VAL 37 -1.441 9.973 1.433 264 HA VAL 37 HA VAL 37 -1.859 7.924 -0.526 265 HB VAL 37 HB VAL 37 -0.136 10.400 -0.702 266 HG11 VAL 37 1HG1 VAL 37 -0.457 10.100 -3.151 267 HG12 VAL 37 2HG1 VAL 37 0.490 8.817 -2.395 268 HG13 VAL 37 3HG1 VAL 37 -1.199 8.535 -2.819 269 HG21 VAL 37 1HG2 VAL 37 -1.954 11.609 -1.386 270 HG22 VAL 37 2HG2 VAL 37 -2.815 10.190 -1.980 271 HG23 VAL 37 3HG2 VAL 37 -2.735 10.512 -0.248 272 H LEU 38 H LEU 38 -0.670 6.151 -0.700 273 HA LEU 38 HA LEU 38 2.161 6.263 0.108 274 HB2 LEU 38 1HB LEU 38 0.434 3.803 -0.035 275 HB3 LEU 38 2HB LEU 38 2.042 3.948 0.672 276 HG LEU 38 HG LEU 38 -0.319 5.437 1.785 277 HD11 LEU 38 1HD1 LEU 38 -0.829 3.673 3.237 278 HD12 LEU 38 2HD1 LEU 38 0.638 2.787 2.819 279 HD13 LEU 38 3HD1 LEU 38 -0.677 2.916 1.651 280 HD21 LEU 38 1HD2 LEU 38 1.264 4.949 3.859 281 HD22 LEU 38 2HD2 LEU 38 1.505 6.340 2.801 282 HD23 LEU 38 3HD2 LEU 38 2.484 4.888 2.586 283 H GLU 39 H GLU 39 3.475 4.468 -1.025 284 HA GLU 39 HA GLU 39 2.726 4.384 -3.874 285 HB2 GLU 39 1HB GLU 39 4.683 5.941 -3.093 286 HB3 GLU 39 2HB GLU 39 5.592 4.439 -3.003 287 HG2 GLU 39 1HG GLU 39 6.095 5.035 -5.126 288 HG3 GLU 39 2HG GLU 39 4.618 4.125 -5.439 289 H VAL 40 H VAL 40 2.237 2.354 -4.371 290 HA VAL 40 HA VAL 40 3.242 0.109 -2.907 291 HB VAL 40 HB VAL 40 1.650 0.231 -5.472 292 HG11 VAL 40 1HG1 VAL 40 3.068 -1.942 -4.357 293 HG12 VAL 40 2HG1 VAL 40 1.352 -2.233 -4.066 294 HG13 VAL 40 3HG1 VAL 40 1.935 -1.957 -5.708 295 HG21 VAL 40 1HG2 VAL 40 0.107 0.942 -3.979 296 HG22 VAL 40 2HG2 VAL 40 -0.025 -0.782 -3.633 297 HG23 VAL 40 3HG2 VAL 40 0.962 0.251 -2.600 298 H ILE 41 H ILE 41 5.422 -0.133 -3.114 299 HA ILE 41 HA ILE 41 6.644 -0.104 -5.755 300 HB ILE 41 HB ILE 41 8.766 -0.316 -4.619 301 HG12 ILE 41 1HG1 ILE 41 7.109 -0.677 -2.114 302 HG13 ILE 41 2HG1 ILE 41 8.152 -1.881 -2.865 303 HG21 ILE 41 1HG2 ILE 41 7.385 1.881 -4.662 304 HG22 ILE 41 2HG2 ILE 41 7.258 1.627 -2.922 305 HG23 ILE 41 3HG2 ILE 41 8.844 1.794 -3.675 306 HD11 ILE 41 1HD1 ILE 41 8.942 0.621 -1.415 307 HD12 ILE 41 2HD1 ILE 41 9.349 -1.052 -1.031 308 HD13 ILE 41 3HD1 ILE 41 10.061 -0.273 -2.444 309 H GLU 42 H GLU 42 6.118 -2.372 -3.079 310 HA GLU 42 HA GLU 42 6.564 -4.575 -4.977 311 HB2 GLU 42 1HB GLU 42 7.785 -4.114 -2.310 312 HB3 GLU 42 2HB GLU 42 7.301 -5.762 -2.687 313 HG2 GLU 42 1HG GLU 42 8.635 -5.541 -4.812 314 HG3 GLU 42 2HG GLU 42 9.273 -4.037 -4.152 315 H ASP 43 H ASP 43 5.528 -6.619 -4.306 316 HA ASP 43 HA ASP 43 2.883 -6.061 -3.210 317 HB2 ASP 43 1HB ASP 43 2.581 -8.560 -3.975 318 HB3 ASP 43 2HB ASP 43 2.599 -7.260 -5.164 319 H GLY 44 H GLY 44 5.253 -6.219 -1.478 320 HA2 GLY 44 1HA GLY 44 5.866 -7.121 0.542 321 HA3 GLY 44 2HA GLY 44 4.177 -7.584 0.691 322 H ASP 45 H ASP 45 5.196 -9.401 1.891 323 HA ASP 45 HA ASP 45 6.527 -11.404 0.266 324 HB2 ASP 45 1HB ASP 45 7.128 -10.896 2.683 325 HB3 ASP 45 2HB ASP 45 5.623 -11.693 3.131 326 H MET 46 H MET 46 3.368 -10.742 1.569 327 HA MET 46 HA MET 46 2.408 -13.378 0.712 328 HB2 MET 46 1HB MET 46 1.290 -11.269 2.538 329 HB3 MET 46 2HB MET 46 0.257 -12.527 1.873 330 HG2 MET 46 1HG MET 46 1.031 -13.108 4.097 331 HG3 MET 46 2HG MET 46 1.653 -14.234 2.893 332 HE1 MET 46 1HE MET 46 3.494 -10.752 4.855 333 HE2 MET 46 2HE MET 46 2.015 -11.609 5.287 334 HE3 MET 46 3HE MET 46 3.544 -12.050 6.048 335 H GLU 47 H GLU 47 0.049 -13.250 -0.173 336 HA GLU 47 HA GLU 47 0.186 -11.656 -2.572 337 HB2 GLU 47 1HB GLU 47 -1.958 -13.557 -1.606 338 HB3 GLU 47 2HB GLU 47 -1.871 -12.848 -3.212 339 HG2 GLU 47 1HG GLU 47 0.216 -14.659 -2.024 340 HG3 GLU 47 2HG GLU 47 -1.065 -15.176 -3.118 341 H ASP 48 H ASP 48 -2.307 -12.066 -0.051 342 HA ASP 48 HA ASP 48 -3.894 -9.901 -0.808 343 HB2 ASP 48 1HB ASP 48 -3.555 -11.479 1.703 344 HB3 ASP 48 2HB ASP 48 -4.473 -9.978 1.782 345 H TRP 49 H TRP 49 -1.033 -10.046 1.214 346 HA TRP 49 HA TRP 49 -1.281 -7.235 1.937 347 HB2 TRP 49 1HB TRP 49 0.782 -9.322 2.669 348 HB3 TRP 49 2HB TRP 49 0.801 -7.659 3.248 349 HD1 TRP 49 HD TRP 49 -1.291 -10.883 3.540 350 HE1 TRP 49 1HE TRP 49 -2.639 -10.773 5.730 351 HE3 TRP 49 3HE TRP 49 -0.116 -6.120 4.977 352 HZ2 TRP 49 2HZ TRP 49 -3.139 -8.912 7.793 353 HZ3 TRP 49 3HZ TRP 49 -1.071 -5.250 7.071 354 HH2 TRP 49 HH TRP 49 -2.551 -6.619 8.449 355 H VAL 50 H VAL 50 0.254 -5.653 1.396 356 HA VAL 50 HA VAL 50 2.123 -6.347 -0.765 357 HB VAL 50 HB VAL 50 1.556 -4.179 -1.878 358 HG11 VAL 50 1HG1 VAL 50 0.670 -5.943 -3.039 359 HG12 VAL 50 2HG1 VAL 50 -0.323 -6.481 -1.683 360 HG13 VAL 50 3HG1 VAL 50 -0.805 -5.070 -2.625 361 HG21 VAL 50 1HG2 VAL 50 0.083 -3.754 0.463 362 HG22 VAL 50 2HG2 VAL 50 0.143 -2.723 -0.966 363 HG23 VAL 50 3HG2 VAL 50 -1.110 -3.955 -0.819 364 H LYS 51 H LYS 51 3.776 -4.652 -1.130 365 HA LYS 51 HA LYS 51 4.599 -3.508 1.441 366 HB2 LYS 51 1HB LYS 51 6.084 -5.085 0.046 367 HB3 LYS 51 2HB LYS 51 6.318 -3.707 -1.021 368 HG2 LYS 51 1HG LYS 51 7.292 -2.426 0.772 369 HG3 LYS 51 2HG LYS 51 6.952 -3.721 1.922 370 HD2 LYS 51 1HD LYS 51 8.555 -4.387 -0.490 371 HD3 LYS 51 2HD LYS 51 9.331 -3.441 0.782 372 HE2 LYS 51 1HE LYS 51 8.782 -5.158 2.415 373 HE3 LYS 51 2HE LYS 51 7.940 -6.089 1.178 374 HZ1 LYS 51 1HZ LYS 51 9.991 -7.094 1.240 375 HZ2 LYS 51 2HZ LYS 51 10.828 -5.653 1.524 376 HZ3 LYS 51 3HZ LYS 51 10.216 -5.985 -0.017 377 H ALA 52 H ALA 52 4.176 -1.433 1.762 378 HA ALA 52 HA ALA 52 4.371 0.413 -0.527 379 HB1 ALA 52 1HB ALA 52 2.070 0.318 -0.148 380 HB2 ALA 52 2HB ALA 52 2.266 0.266 1.604 381 HB3 ALA 52 3HB ALA 52 2.584 1.761 0.725 382 H ARG 53 H ARG 53 4.946 2.611 0.019 383 HA ARG 53 HA ARG 53 6.460 2.796 2.541 384 HB2 ARG 53 1HB ARG 53 7.875 2.653 0.485 385 HB3 ARG 53 2HB ARG 53 7.140 4.150 -0.073 386 HG2 ARG 53 1HG ARG 53 8.078 5.368 1.763 387 HG3 ARG 53 2HG ARG 53 8.671 3.880 2.503 388 HD2 ARG 53 1HD ARG 53 9.936 3.584 0.248 389 HD3 ARG 53 2HD ARG 53 9.659 5.316 0.074 390 HE ARG 53 HE ARG 53 10.786 4.642 2.612 391 HH11 ARG 53 2HH1 ARG 53 11.531 5.213 -0.741 392 HH12 ARG 53 1HH1 ARG 53 13.167 5.692 -0.431 393 HH21 ARG 53 2HH2 ARG 53 12.937 5.271 3.033 394 HH22 ARG 53 1HH2 ARG 53 13.966 5.724 1.716 395 H ASN 54 H ASN 54 5.858 4.365 3.879 396 HA ASN 54 HA ASN 54 3.853 6.274 3.035 397 HB2 ASN 54 1HB ASN 54 4.122 6.987 5.528 398 HB3 ASN 54 2HB ASN 54 3.362 5.443 5.153 399 HD21 ASN 54 1HD2 ASN 54 4.101 5.358 7.539 400 HD22 ASN 54 2HD2 ASN 54 5.631 4.600 7.803 401 H LYS 55 H LYS 55 4.267 8.522 4.379 402 HA LYS 55 HA LYS 55 6.218 9.881 2.852 403 HB2 LYS 55 1HB LYS 55 5.653 11.833 4.249 404 HB3 LYS 55 2HB LYS 55 4.218 11.014 3.648 405 HG2 LYS 55 1HG LYS 55 4.395 9.768 5.973 406 HG3 LYS 55 2HG LYS 55 5.256 11.245 6.416 407 HD2 LYS 55 1HD LYS 55 3.201 12.406 5.263 408 HD3 LYS 55 2HD LYS 55 2.407 10.869 5.613 409 HE2 LYS 55 1HE LYS 55 3.910 12.395 7.718 410 HE3 LYS 55 2HE LYS 55 2.219 12.736 7.355 411 HZ1 LYS 55 1HZ LYS 55 1.659 11.057 8.659 412 HZ2 LYS 55 2HZ LYS 55 3.283 10.690 8.957 413 HZ3 LYS 55 3HZ LYS 55 2.481 9.976 7.649 414 H VAL 56 H VAL 56 6.288 8.364 5.975 415 HA VAL 56 HA VAL 56 8.684 9.670 6.874 416 HB VAL 56 HB VAL 56 8.683 7.862 8.630 417 HG11 VAL 56 1HG1 VAL 56 5.980 8.896 8.882 418 HG12 VAL 56 2HG1 VAL 56 7.412 9.221 9.861 419 HG13 VAL 56 3HG1 VAL 56 7.131 10.133 8.378 420 HG21 VAL 56 1HG2 VAL 56 7.191 6.438 6.902 421 HG22 VAL 56 2HG2 VAL 56 7.203 6.154 8.643 422 HG23 VAL 56 3HG2 VAL 56 5.918 7.119 7.916 423 H GLY 57 H GLY 57 8.348 7.781 4.343 424 HA2 GLY 57 1HA GLY 57 9.809 6.506 3.112 425 HA3 GLY 57 2HA GLY 57 11.062 6.993 4.244 426 H GLN 58 H GLN 58 8.405 5.530 5.754 427 HA GLN 58 HA GLN 58 10.002 3.216 6.418 428 HB2 GLN 58 1HB GLN 58 7.481 4.437 7.405 429 HB3 GLN 58 2HB GLN 58 7.673 2.705 7.641 430 HG2 GLN 58 1HG GLN 58 9.926 4.469 8.421 431 HG3 GLN 58 2HG GLN 58 8.482 4.466 9.432 432 HE21 GLN 58 1HE2 GLN 58 8.873 3.266 11.146 433 HE22 GLN 58 2HE2 GLN 58 9.611 1.704 11.147 434 H VAL 59 H VAL 59 9.597 1.105 5.877 435 HA VAL 59 HA VAL 59 7.485 0.653 3.869 436 HB VAL 59 HB VAL 59 10.144 -0.774 3.954 437 HG11 VAL 59 1HG1 VAL 59 9.356 -1.229 1.515 438 HG12 VAL 59 2HG1 VAL 59 8.694 -2.187 2.841 439 HG13 VAL 59 3HG1 VAL 59 7.757 -0.858 2.157 440 HG21 VAL 59 1HG2 VAL 59 10.761 1.387 3.352 441 HG22 VAL 59 2HG2 VAL 59 10.503 0.596 1.797 442 HG23 VAL 59 3HG2 VAL 59 9.268 1.669 2.455 443 H GLY 60 H GLY 60 6.023 -0.823 4.417 444 HA2 GLY 60 1HA GLY 60 6.816 -3.088 6.094 445 HA3 GLY 60 2HA GLY 60 5.532 -2.046 6.690 446 H TYR 61 H TYR 61 4.161 -3.918 6.656 447 HA TYR 61 HA TYR 61 3.252 -4.635 3.946 448 HB2 TYR 61 1HB TYR 61 3.133 -6.279 6.482 449 HB3 TYR 61 2HB TYR 61 2.444 -6.760 4.936 450 HD1 TYR 61 2HD TYR 61 4.516 -6.048 3.025 451 HD2 TYR 61 1HD TYR 61 4.896 -7.718 6.919 452 HE1 TYR 61 2HE TYR 61 6.665 -7.053 2.378 453 HE2 TYR 61 1HE TYR 61 7.047 -8.727 6.284 454 HH TYR 61 HH TYR 61 8.085 -9.464 3.849 455 H VAL 62 H VAL 62 1.259 -4.046 3.411 456 HA VAL 62 HA VAL 62 -0.741 -3.656 5.524 457 HB VAL 62 HB VAL 62 -1.559 -1.614 4.319 458 HG11 VAL 62 1HG1 VAL 62 1.116 -1.688 5.673 459 HG12 VAL 62 2HG1 VAL 62 0.394 -0.164 5.151 460 HG13 VAL 62 3HG1 VAL 62 -0.444 -1.183 6.322 461 HG21 VAL 62 1HG2 VAL 62 0.537 -2.379 2.512 462 HG22 VAL 62 2HG2 VAL 62 -0.707 -1.144 2.320 463 HG23 VAL 62 3HG2 VAL 62 0.818 -0.744 3.111 464 HA PRO 63 HA PRO 63 -3.436 -5.844 2.831 465 HB2 PRO 63 1HB PRO 63 -5.832 -4.822 3.597 466 HB3 PRO 63 2HB PRO 63 -4.903 -5.945 4.597 467 HG2 PRO 63 1HG PRO 63 -5.096 -2.963 4.777 468 HG3 PRO 63 2HG PRO 63 -5.119 -4.167 6.080 469 HD2 PRO 63 1HD PRO 63 -2.905 -2.740 5.454 470 HD3 PRO 63 2HD PRO 63 -2.826 -4.402 6.074 471 H GLU 64 H GLU 64 -3.786 -5.555 0.727 472 HA GLU 64 HA GLU 64 -3.767 -3.046 -0.534 473 HB2 GLU 64 1HB GLU 64 -3.226 -5.343 -1.530 474 HB3 GLU 64 2HB GLU 64 -4.961 -5.536 -1.736 475 HG2 GLU 64 1HG GLU 64 -4.803 -3.253 -2.964 476 HG3 GLU 64 2HG GLU 64 -3.092 -3.655 -3.101 477 H LYS 65 H LYS 65 -6.441 -5.247 0.236 478 HA LYS 65 HA LYS 65 -8.555 -4.021 -0.969 479 HB2 LYS 65 1HB LYS 65 -9.796 -4.692 1.273 480 HB3 LYS 65 2HB LYS 65 -9.213 -5.911 0.147 481 HG2 LYS 65 1HG LYS 65 -7.550 -6.604 1.537 482 HG3 LYS 65 2HG LYS 65 -7.371 -5.020 2.295 483 HD2 LYS 65 1HD LYS 65 -8.368 -6.170 4.005 484 HD3 LYS 65 2HD LYS 65 -9.800 -5.551 3.179 485 HE2 LYS 65 1HE LYS 65 -8.693 -8.188 2.348 486 HE3 LYS 65 2HE LYS 65 -9.596 -8.090 3.859 487 HZ1 LYS 65 1HZ LYS 65 -10.918 -6.741 1.713 488 HZ2 LYS 65 2HZ LYS 65 -11.506 -7.930 2.762 489 HZ3 LYS 65 3HZ LYS 65 -10.662 -8.377 1.366 490 H TYR 66 H TYR 66 -6.714 -2.863 1.741 491 HA TYR 66 HA TYR 66 -8.632 -0.808 2.430 492 HB2 TYR 66 1HB TYR 66 -5.911 -1.579 3.446 493 HB3 TYR 66 2HB TYR 66 -6.639 -0.045 3.910 494 HD1 TYR 66 1HD TYR 66 -8.544 -3.158 3.361 495 HD2 TYR 66 2HD TYR 66 -6.871 -0.508 6.239 496 HE1 TYR 66 1HE TYR 66 -9.805 -4.301 5.137 497 HE2 TYR 66 2HE TYR 66 -8.126 -1.644 8.023 498 HH TYR 66 HH TYR 66 -9.165 -3.846 8.429 499 H LEU 67 H LEU 67 -5.738 -1.136 0.517 500 HA LEU 67 HA LEU 67 -5.311 1.693 0.222 501 HB2 LEU 67 1HB LEU 67 -4.184 -0.615 -1.356 502 HB3 LEU 67 2HB LEU 67 -3.613 1.052 -1.412 503 HG LEU 67 HG LEU 67 -3.534 -0.624 1.089 504 HD11 LEU 67 1HD1 LEU 67 -0.997 -0.619 0.413 505 HD12 LEU 67 2HD1 LEU 67 -1.657 -0.491 -1.217 506 HD13 LEU 67 3HD1 LEU 67 -2.096 -1.858 -0.193 507 HD21 LEU 67 1HD2 LEU 67 -3.425 1.776 1.439 508 HD22 LEU 67 2HD2 LEU 67 -2.121 1.909 0.259 509 HD23 LEU 67 3HD2 LEU 67 -1.858 1.036 1.769 510 H GLN 68 H GLN 68 -5.585 2.908 -1.693 511 HA GLN 68 HA GLN 68 -7.702 1.861 -3.449 512 HB2 GLN 68 1HB GLN 68 -8.212 3.888 -2.037 513 HB3 GLN 68 2HB GLN 68 -7.005 4.760 -2.974 514 HG2 GLN 68 1HG GLN 68 -8.274 4.624 -4.942 515 HG3 GLN 68 2HG GLN 68 -9.331 3.383 -4.271 516 HE21 GLN 68 1HE2 GLN 68 -8.327 6.740 -3.772 517 HE22 GLN 68 2HE2 GLN 68 -9.868 7.304 -3.232 518 H PHE 69 H PHE 69 -6.551 0.936 -5.085 519 HA PHE 69 HA PHE 69 -4.238 2.129 -6.245 520 HB2 PHE 69 1HB PHE 69 -5.999 -0.192 -6.956 521 HB3 PHE 69 2HB PHE 69 -4.799 0.384 -8.107 522 HD1 PHE 69 1HD PHE 69 -4.612 0.120 -4.403 523 HD2 PHE 69 2HD PHE 69 -3.162 -1.249 -8.163 524 HE1 PHE 69 1HE PHE 69 -2.883 -1.198 -3.252 525 HE2 PHE 69 2HE PHE 69 -1.431 -2.570 -7.018 526 HZ PHE 69 HZ PHE 69 -1.290 -2.546 -4.560 527 HA PRO 70 HA PRO 70 -5.953 4.891 -9.191 528 HB2 PRO 70 1HB PRO 70 -4.212 4.627 -11.257 529 HB3 PRO 70 2HB PRO 70 -3.797 5.452 -9.750 530 HG2 PRO 70 1HG PRO 70 -3.157 2.660 -10.620 531 HG3 PRO 70 2HG PRO 70 -2.116 3.846 -9.810 532 HD2 PRO 70 1HD PRO 70 -3.330 1.824 -8.480 533 HD3 PRO 70 2HD PRO 70 -3.015 3.404 -7.734 534 H THR 71 H THR 71 -6.719 5.050 -11.485 535 HA THR 71 HA THR 71 -7.907 4.290 -13.280 536 HB THR 71 HB THR 71 -7.084 1.458 -12.735 537 HG1 THR 71 1HG THR 71 -5.059 1.997 -12.961 538 HG21 THR 71 1HG2 THR 71 -7.538 1.103 -14.934 539 HG22 THR 71 2HG2 THR 71 -6.990 2.709 -15.417 540 HG23 THR 71 3HG2 THR 71 -8.585 2.501 -14.696 541 H SER 72 H SER 72 -9.086 4.506 -10.705 542 HA SER 72 HA SER 72 -11.379 2.762 -11.110 543 HB2 SER 72 1HB SER 72 -9.855 2.861 -8.496 544 HB3 SER 72 2HB SER 72 -11.443 2.123 -8.702 545 HG SER 72 HG SER 72 -10.095 0.460 -8.999 546 H SER 73 H SER 73 -12.999 3.337 -9.140 547 HA SER 73 HA SER 73 -12.942 6.022 -8.212 548 HB2 SER 73 1HB SER 73 -13.426 6.398 -10.639 549 HB3 SER 73 2HB SER 73 -14.908 5.463 -10.444 550 HG SER 73 HG SER 73 -15.819 7.128 -9.544 551 H GLY 74 H GLY 74 -13.932 5.855 -6.320 552 HA2 GLY 74 1HA GLY 74 -16.500 5.392 -5.728 553 HA3 GLY 74 2HA GLY 74 -15.887 3.751 -5.875 554 HA PRO 75 HA PRO 75 -14.868 5.900 -1.680 555 HB2 PRO 75 1HB PRO 75 -17.102 5.359 -0.236 556 HB3 PRO 75 2HB PRO 75 -16.886 6.859 -1.146 557 HG2 PRO 75 1HG PRO 75 -18.406 4.391 -1.895 558 HG3 PRO 75 2HG PRO 75 -18.867 6.092 -2.093 559 HD2 PRO 75 1HD PRO 75 -17.886 4.602 -4.130 560 HD3 PRO 75 2HD PRO 75 -17.590 6.347 -3.995 561 H SER 76 H SER 76 -16.300 2.925 -2.733 562 HA SER 76 HA SER 76 -14.928 1.510 -0.541 563 HB2 SER 76 1HB SER 76 -17.495 1.446 -0.544 564 HB3 SER 76 2HB SER 76 -17.349 0.426 -1.975 565 HG SER 76 HG SER 76 -17.114 -0.271 0.583 566 H SER 77 H SER 77 -13.046 1.051 -1.609 567 HA SER 77 HA SER 77 -12.789 0.258 -4.273 568 HB2 SER 77 1HB SER 77 -10.872 0.995 -2.959 569 HB3 SER 77 2HB SER 77 -11.023 -0.411 -1.906 570 HG SER 77 HG SER 77 -10.670 -0.693 -4.691 571 H GLY 78 H GLY 78 -13.360 -1.536 -5.303 572 HA2 GLY 78 1HA GLY 78 -14.659 -3.689 -4.063 573 HA3 GLY 78 2HA GLY 78 -14.032 -3.692 -5.705 Start of MODEL 20 1 H1 GLY 1 H GLY 1 0.900 -5.761 -26.065 2 HA2 GLY 1 1HA GLY 1 -1.248 -7.240 -25.099 3 HA3 GLY 1 2HA GLY 1 -1.262 -5.499 -25.338 4 H SER 2 H SER 2 -3.011 -8.087 -25.979 5 HA SER 2 HA SER 2 -3.634 -7.425 -28.762 6 HB2 SER 2 1HB SER 2 -4.872 -9.498 -28.829 7 HB3 SER 2 2HB SER 2 -3.301 -9.817 -28.095 8 HG SER 2 HG SER 2 -4.898 -10.798 -26.864 9 H SER 3 H SER 3 -5.803 -7.025 -29.430 10 HA SER 3 HA SER 3 -7.169 -5.118 -27.975 11 HB2 SER 3 1HB SER 3 -8.213 -6.995 -30.106 12 HB3 SER 3 2HB SER 3 -9.098 -5.593 -29.506 13 HG SER 3 HG SER 3 -6.472 -5.320 -30.487 14 H GLY 4 H GLY 4 -9.659 -5.443 -27.472 15 HA2 GLY 4 1HA GLY 4 -11.197 -7.223 -26.589 16 HA3 GLY 4 2HA GLY 4 -9.821 -7.751 -25.633 17 H SER 5 H SER 5 -8.832 -5.885 -24.281 18 HA SER 5 HA SER 5 -10.820 -3.993 -23.318 19 HB2 SER 5 1HB SER 5 -9.556 -5.996 -21.434 20 HB3 SER 5 2HB SER 5 -10.712 -4.734 -21.010 21 HG SER 5 HG SER 5 -11.254 -7.187 -21.729 22 H SER 6 H SER 6 -9.936 -2.345 -21.963 23 HA SER 6 HA SER 6 -7.120 -1.862 -22.525 24 HB2 SER 6 1HB SER 6 -9.437 -0.165 -21.696 25 HB3 SER 6 2HB SER 6 -7.806 0.399 -21.335 26 HG SER 6 HG SER 6 -7.705 0.998 -23.334 27 H GLY 7 H GLY 7 -5.565 -1.425 -20.955 28 HA2 GLY 7 1HA GLY 7 -5.127 -0.984 -18.552 29 HA3 GLY 7 2HA GLY 7 -6.320 -2.228 -18.212 30 H THR 8 H THR 8 -3.290 -1.822 -17.750 31 HA THR 8 HA THR 8 -2.503 -4.506 -18.683 32 HB THR 8 HB THR 8 -0.183 -3.758 -18.788 33 HG1 THR 8 1HG THR 8 -1.303 -1.406 -17.732 34 HG21 THR 8 1HG2 THR 8 -1.517 -1.618 -20.340 35 HG22 THR 8 2HG2 THR 8 -2.055 -3.270 -20.644 36 HG23 THR 8 3HG2 THR 8 -0.358 -2.840 -20.859 37 H LEU 9 H LEU 9 -1.228 -5.765 -17.275 38 HA LEU 9 HA LEU 9 -1.922 -5.976 -14.685 39 HB2 LEU 9 1HB LEU 9 -0.197 -7.446 -14.407 40 HB3 LEU 9 2HB LEU 9 -0.274 -7.368 -16.166 41 HG LEU 9 HG LEU 9 1.699 -5.888 -14.425 42 HD11 LEU 9 1HD1 LEU 9 3.110 -7.601 -14.630 43 HD12 LEU 9 2HD1 LEU 9 2.710 -7.840 -16.331 44 HD13 LEU 9 3HD1 LEU 9 1.698 -8.559 -15.078 45 HD21 LEU 9 1HD2 LEU 9 0.851 -5.021 -16.793 46 HD22 LEU 9 2HD2 LEU 9 2.042 -6.195 -17.354 47 HD23 LEU 9 3HD2 LEU 9 2.534 -4.882 -16.283 48 H ARG 10 H ARG 10 -1.027 -5.374 -12.654 49 HA ARG 10 HA ARG 10 -0.615 -2.714 -12.215 50 HB2 ARG 10 1HB ARG 10 0.325 -5.112 -10.657 51 HB3 ARG 10 2HB ARG 10 0.602 -3.473 -10.084 52 HG2 ARG 10 1HG ARG 10 -1.840 -3.079 -10.160 53 HG3 ARG 10 2HG ARG 10 -2.062 -4.772 -10.608 54 HD2 ARG 10 1HD ARG 10 -0.460 -4.148 -8.181 55 HD3 ARG 10 2HD ARG 10 -2.212 -3.969 -8.095 56 HE ARG 10 HE ARG 10 -0.726 -6.422 -8.230 57 HH11 ARG 10 2HH1 ARG 10 -3.785 -4.895 -8.883 58 HH12 ARG 10 1HH1 ARG 10 -4.688 -6.371 -8.801 59 HH21 ARG 10 2HH2 ARG 10 -1.903 -8.373 -8.119 60 HH22 ARG 10 1HH2 ARG 10 -3.617 -8.349 -8.366 61 H ASN 11 H ASN 11 0.912 -1.329 -12.791 62 HA ASN 11 HA ASN 11 3.613 -2.360 -13.344 63 HB2 ASN 11 1HB ASN 11 3.792 -0.117 -14.635 64 HB3 ASN 11 2HB ASN 11 2.856 -1.427 -15.349 65 HD21 ASN 11 1HD2 ASN 11 0.762 -1.114 -15.789 66 HD22 ASN 11 2HD2 ASN 11 -0.122 0.320 -15.403 67 H TYR 12 H TYR 12 4.389 -2.203 -11.229 68 HA TYR 12 HA TYR 12 4.151 0.109 -9.620 69 HB2 TYR 12 1HB TYR 12 6.364 -1.938 -9.459 70 HB3 TYR 12 2HB TYR 12 5.742 -0.924 -8.162 71 HD1 TYR 12 2HD TYR 12 2.830 -1.266 -8.502 72 HD2 TYR 12 1HD TYR 12 5.976 -4.120 -8.734 73 HE1 TYR 12 2HE TYR 12 1.256 -3.044 -7.862 74 HE2 TYR 12 1HE TYR 12 4.411 -5.906 -8.096 75 HH TYR 12 HH TYR 12 1.235 -5.726 -8.297 76 HA PRO 13 HA PRO 13 5.516 1.042 -7.965 77 HB2 PRO 13 1HB PRO 13 5.570 3.736 -7.636 78 HB3 PRO 13 2HB PRO 13 6.982 2.708 -7.369 79 HG2 PRO 13 1HG PRO 13 6.272 4.367 -9.757 80 HG3 PRO 13 2HG PRO 13 7.842 4.173 -8.957 81 HD2 PRO 13 1HD PRO 13 7.195 2.857 -11.233 82 HD3 PRO 13 2HD PRO 13 8.267 2.162 -10.001 83 H LEU 14 H LEU 14 3.583 2.099 -7.040 84 HA LEU 14 HA LEU 14 1.740 3.277 -8.967 85 HB2 LEU 14 1HB LEU 14 1.277 0.685 -7.522 86 HB3 LEU 14 2HB LEU 14 -0.052 1.672 -8.125 87 HG LEU 14 HG LEU 14 2.137 0.564 -9.876 88 HD11 LEU 14 1HD1 LEU 14 0.599 -1.164 -10.538 89 HD12 LEU 14 2HD1 LEU 14 -0.641 -0.527 -9.458 90 HD13 LEU 14 3HD1 LEU 14 0.830 -1.234 -8.791 91 HD21 LEU 14 1HD2 LEU 14 -0.562 1.760 -10.499 92 HD22 LEU 14 2HD2 LEU 14 0.561 1.080 -11.678 93 HD23 LEU 14 3HD2 LEU 14 1.004 2.526 -10.769 94 H THR 15 H THR 15 1.055 5.066 -8.011 95 HA THR 15 HA THR 15 1.118 5.413 -5.169 96 HB THR 15 HB THR 15 -0.231 7.255 -7.140 97 HG1 THR 15 1HG THR 15 1.971 6.728 -7.766 98 HG21 THR 15 1HG2 THR 15 -0.655 7.847 -4.857 99 HG22 THR 15 2HG2 THR 15 0.550 8.971 -5.488 100 HG23 THR 15 3HG2 THR 15 1.045 7.646 -4.435 101 H CYS 16 H CYS 16 -0.386 4.713 -3.814 102 HA CYS 16 HA CYS 16 -3.138 4.382 -4.801 103 HB2 CYS 16 1HB CYS 16 -3.356 2.891 -2.730 104 HB3 CYS 16 2HB CYS 16 -2.372 2.282 -4.055 105 HG CYS 16 HG CYS 16 -0.551 3.991 -1.868 106 H LYS 17 H LYS 17 -4.723 4.445 -2.777 107 HA LYS 17 HA LYS 17 -4.075 6.777 -1.116 108 HB2 LYS 17 1HB LYS 17 -5.367 7.628 -2.993 109 HB3 LYS 17 2HB LYS 17 -6.606 6.408 -2.728 110 HG2 LYS 17 1HG LYS 17 -7.600 8.168 -1.702 111 HG3 LYS 17 2HG LYS 17 -6.685 7.531 -0.334 112 HD2 LYS 17 1HD LYS 17 -5.179 9.253 -0.365 113 HD3 LYS 17 2HD LYS 17 -5.354 9.518 -2.101 114 HE2 LYS 17 1HE LYS 17 -6.320 11.391 -0.991 115 HE3 LYS 17 2HE LYS 17 -7.643 10.424 -1.642 116 HZ1 LYS 17 1HZ LYS 17 -8.450 10.078 0.385 117 HZ2 LYS 17 2HZ LYS 17 -7.395 11.280 0.935 118 HZ3 LYS 17 3HZ LYS 17 -6.941 9.652 1.020 119 H VAL 18 H VAL 18 -4.125 5.996 0.890 120 HA VAL 18 HA VAL 18 -5.567 3.727 1.719 121 HB VAL 18 HB VAL 18 -4.420 5.983 3.367 122 HG11 VAL 18 1HG1 VAL 18 -5.501 5.095 5.097 123 HG12 VAL 18 2HG1 VAL 18 -6.080 3.745 4.119 124 HG13 VAL 18 3HG1 VAL 18 -4.500 3.658 4.899 125 HG21 VAL 18 1HG2 VAL 18 -3.065 3.454 3.560 126 HG22 VAL 18 2HG2 VAL 18 -3.165 3.971 1.877 127 HG23 VAL 18 3HG2 VAL 18 -2.431 5.029 3.083 128 H VAL 19 H VAL 19 -7.709 3.577 1.763 129 HA VAL 19 HA VAL 19 -9.307 5.938 2.446 130 HB VAL 19 HB VAL 19 -11.231 4.357 1.733 131 HG11 VAL 19 1HG1 VAL 19 -9.421 6.034 0.250 132 HG12 VAL 19 2HG1 VAL 19 -10.070 4.754 -0.777 133 HG13 VAL 19 3HG1 VAL 19 -11.165 5.840 0.079 134 HG21 VAL 19 1HG2 VAL 19 -10.760 2.463 0.509 135 HG22 VAL 19 2HG2 VAL 19 -9.125 2.993 0.114 136 HG23 VAL 19 3HG2 VAL 19 -9.494 2.405 1.735 137 H TYR 20 H TYR 20 -8.387 2.812 3.616 138 HA TYR 20 HA TYR 20 -10.235 3.129 5.890 139 HB2 TYR 20 1HB TYR 20 -9.246 0.680 4.464 140 HB3 TYR 20 2HB TYR 20 -9.768 0.578 6.142 141 HD1 TYR 20 2HD TYR 20 -11.036 2.197 3.011 142 HD2 TYR 20 1HD TYR 20 -11.911 -0.208 6.410 143 HE1 TYR 20 2HE TYR 20 -13.372 2.003 2.266 144 HE2 TYR 20 1HE TYR 20 -14.249 -0.409 5.674 145 HH TYR 20 HH TYR 20 -15.844 0.787 4.263 146 H SER 21 H SER 21 -9.283 3.665 7.727 147 HA SER 21 HA SER 21 -6.478 3.750 8.056 148 HB2 SER 21 1HB SER 21 -6.975 4.375 10.390 149 HB3 SER 21 2HB SER 21 -7.977 5.278 9.253 150 HG SER 21 HG SER 21 -8.930 4.120 11.239 151 H TYR 22 H TYR 22 -5.076 2.266 8.735 152 HA TYR 22 HA TYR 22 -6.104 -0.107 10.141 153 HB2 TYR 22 1HB TYR 22 -5.696 -0.826 7.891 154 HB3 TYR 22 2HB TYR 22 -4.133 -0.019 7.853 155 HD1 TYR 22 2HD TYR 22 -5.891 -2.574 9.950 156 HD2 TYR 22 1HD TYR 22 -2.285 -1.377 8.035 157 HE1 TYR 22 2HE TYR 22 -4.809 -4.650 10.704 158 HE2 TYR 22 1HE TYR 22 -1.193 -3.450 8.783 159 HH TYR 22 HH TYR 22 -2.243 -5.939 9.466 160 H LYS 23 H LYS 23 -5.284 -0.071 12.120 161 HA LYS 23 HA LYS 23 -2.785 1.256 12.699 162 HB2 LYS 23 1HB LYS 23 -4.538 1.528 14.305 163 HB3 LYS 23 2HB LYS 23 -4.783 -0.210 14.421 164 HG2 LYS 23 1HG LYS 23 -3.590 0.130 16.322 165 HG3 LYS 23 2HG LYS 23 -2.260 -0.158 15.197 166 HD2 LYS 23 1HD LYS 23 -1.556 1.757 16.279 167 HD3 LYS 23 2HD LYS 23 -2.355 2.423 14.853 168 HE2 LYS 23 1HE LYS 23 -3.957 1.988 17.327 169 HE3 LYS 23 2HE LYS 23 -2.852 3.360 17.265 170 HZ1 LYS 23 1HZ LYS 23 -4.053 3.684 14.952 171 HZ2 LYS 23 2HZ LYS 23 -4.685 4.324 16.384 172 HZ3 LYS 23 3HZ LYS 23 -5.305 2.881 15.758 173 H ALA 24 H ALA 24 -1.060 0.148 11.924 174 HA ALA 24 HA ALA 24 -0.706 -2.562 11.659 175 HB1 ALA 24 1HB ALA 24 1.600 -2.159 11.441 176 HB2 ALA 24 2HB ALA 24 0.814 -0.682 10.880 177 HB3 ALA 24 3HB ALA 24 1.535 -0.741 12.489 178 H SER 25 H SER 25 -0.715 -4.183 13.059 179 HA SER 25 HA SER 25 -0.403 -3.648 15.900 180 HB2 SER 25 1HB SER 25 -1.254 -6.093 14.345 181 HB3 SER 25 2HB SER 25 -1.022 -6.107 16.093 182 HG SER 25 HG SER 25 -2.913 -5.235 16.274 183 H GLN 26 H GLN 26 1.217 -5.392 13.311 184 HA GLN 26 HA GLN 26 3.293 -6.298 15.161 185 HB2 GLN 26 1HB GLN 26 2.418 -7.083 12.428 186 HB3 GLN 26 2HB GLN 26 4.115 -7.308 12.831 187 HG2 GLN 26 1HG GLN 26 3.286 -8.541 14.900 188 HG3 GLN 26 2HG GLN 26 1.711 -8.561 14.108 189 HE21 GLN 26 1HE2 GLN 26 1.911 -10.872 14.171 190 HE22 GLN 26 2HE2 GLN 26 2.835 -11.690 12.963 191 HA PRO 27 HA PRO 27 6.164 -3.167 14.046 192 HB2 PRO 27 1HB PRO 27 8.503 -4.511 14.352 193 HB3 PRO 27 2HB PRO 27 7.509 -3.991 15.718 194 HG2 PRO 27 1HG PRO 27 7.690 -6.684 14.424 195 HG3 PRO 27 2HG PRO 27 7.626 -6.273 16.148 196 HD2 PRO 27 1HD PRO 27 5.459 -7.139 14.775 197 HD3 PRO 27 2HD PRO 27 5.339 -5.991 16.125 198 H ASP 28 H ASP 28 5.798 -6.018 12.225 199 HA ASP 28 HA ASP 28 7.759 -5.256 10.209 200 HB2 ASP 28 1HB ASP 28 5.894 -7.624 10.430 201 HB3 ASP 28 2HB ASP 28 6.979 -7.356 9.069 202 H GLU 29 H GLU 29 4.426 -4.877 10.879 203 HA GLU 29 HA GLU 29 3.595 -4.513 8.145 204 HB2 GLU 29 1HB GLU 29 2.252 -4.059 10.803 205 HB3 GLU 29 2HB GLU 29 1.491 -3.606 9.285 206 HG2 GLU 29 1HG GLU 29 2.028 -6.296 10.412 207 HG3 GLU 29 2HG GLU 29 0.597 -5.677 9.590 208 H LEU 30 H LEU 30 2.127 -2.328 7.968 209 HA LEU 30 HA LEU 30 3.909 -0.089 8.663 210 HB2 LEU 30 1HB LEU 30 3.770 -0.983 6.183 211 HB3 LEU 30 2HB LEU 30 2.302 -0.009 6.160 212 HG LEU 30 HG LEU 30 4.170 1.227 5.228 213 HD11 LEU 30 1HD1 LEU 30 2.409 2.140 7.104 214 HD12 LEU 30 2HD1 LEU 30 3.481 3.151 6.136 215 HD13 LEU 30 3HD1 LEU 30 3.958 2.666 7.763 216 HD21 LEU 30 1HD2 LEU 30 5.754 1.818 7.464 217 HD22 LEU 30 2HD2 LEU 30 6.215 0.905 6.027 218 HD23 LEU 30 3HD2 LEU 30 5.580 0.063 7.441 219 H THR 31 H THR 31 2.907 1.268 9.978 220 HA THR 31 HA THR 31 0.108 1.246 10.419 221 HB THR 31 HB THR 31 2.033 3.434 11.218 222 HG1 THR 31 1HG THR 31 2.924 1.886 12.360 223 HG21 THR 31 1HG2 THR 31 -0.540 3.677 11.429 224 HG22 THR 31 2HG2 THR 31 0.469 4.063 12.824 225 HG23 THR 31 3HG2 THR 31 -0.377 2.517 12.747 226 H ILE 32 H ILE 32 -1.360 2.009 9.053 227 HA ILE 32 HA ILE 32 -0.741 4.477 7.564 228 HB ILE 32 HB ILE 32 -2.240 3.720 5.794 229 HG12 ILE 32 1HG1 ILE 32 -2.453 1.170 7.410 230 HG13 ILE 32 2HG1 ILE 32 -3.743 2.344 7.170 231 HG21 ILE 32 1HG2 ILE 32 -0.440 1.386 6.167 232 HG22 ILE 32 2HG2 ILE 32 -0.697 2.401 4.750 233 HG23 ILE 32 3HG2 ILE 32 0.282 2.993 6.092 234 HD11 ILE 32 1HD1 ILE 32 -4.368 1.039 5.482 235 HD12 ILE 32 2HD1 ILE 32 -3.004 1.736 4.606 236 HD13 ILE 32 3HD1 ILE 32 -2.820 0.195 5.444 237 H GLU 33 H GLU 33 -2.559 5.876 7.096 238 HA GLU 33 HA GLU 33 -4.937 5.488 8.747 239 HB2 GLU 33 1HB GLU 33 -2.886 7.606 9.127 240 HB3 GLU 33 2HB GLU 33 -4.571 8.086 9.272 241 HG2 GLU 33 1HG GLU 33 -3.674 5.677 10.753 242 HG3 GLU 33 2HG GLU 33 -3.171 7.258 11.345 243 H GLU 34 H GLU 34 -6.771 6.463 7.956 244 HA GLU 34 HA GLU 34 -7.191 6.793 5.318 245 HB2 GLU 34 1HB GLU 34 -8.941 6.864 7.100 246 HB3 GLU 34 2HB GLU 34 -8.501 8.538 7.408 247 HG2 GLU 34 1HG GLU 34 -9.079 9.060 5.049 248 HG3 GLU 34 2HG GLU 34 -9.663 7.406 4.876 249 H HIS 35 H HIS 35 -7.106 8.404 3.779 250 HA HIS 35 HA HIS 35 -6.413 10.303 2.727 251 HB2 HIS 35 1HB HIS 35 -6.013 11.542 5.450 252 HB3 HIS 35 2HB HIS 35 -6.306 12.366 3.921 253 HD1 HIS 35 1HD HIS 35 -8.779 10.964 2.904 254 HD2 HIS 35 2HD HIS 35 -8.254 12.022 6.888 255 HE1 HIS 35 1HE HIS 35 -11.096 11.105 3.874 256 HE2 HIS 35 2HE HIS 35 -10.757 11.830 6.262 257 H GLU 36 H GLU 36 -4.582 8.262 3.202 258 HA GLU 36 HA GLU 36 -2.088 9.803 3.476 259 HB2 GLU 36 1HB GLU 36 -2.430 8.376 5.460 260 HB3 GLU 36 2HB GLU 36 -2.547 6.966 4.417 261 HG2 GLU 36 1HG GLU 36 -0.233 7.408 3.645 262 HG3 GLU 36 2HG GLU 36 -0.134 8.715 4.824 263 H VAL 37 H VAL 37 -1.548 10.014 1.371 264 HA VAL 37 HA VAL 37 -1.894 7.899 -0.537 265 HB VAL 37 HB VAL 37 -0.353 10.487 -0.784 266 HG11 VAL 37 1HG1 VAL 37 0.338 8.735 -2.389 267 HG12 VAL 37 2HG1 VAL 37 -1.331 8.633 -2.953 268 HG13 VAL 37 3HG1 VAL 37 -0.416 10.126 -3.167 269 HG21 VAL 37 1HG2 VAL 37 -2.303 11.519 -1.040 270 HG22 VAL 37 2HG2 VAL 37 -2.771 10.388 -2.310 271 HG23 VAL 37 3HG2 VAL 37 -3.128 10.017 -0.623 272 H LEU 38 H LEU 38 -0.603 6.200 -0.710 273 HA LEU 38 HA LEU 38 2.217 6.479 0.091 274 HB2 LEU 38 1HB LEU 38 0.670 3.909 -0.116 275 HB3 LEU 38 2HB LEU 38 2.238 4.169 0.645 276 HG LEU 38 HG LEU 38 -0.155 5.582 1.734 277 HD11 LEU 38 1HD1 LEU 38 -0.808 3.732 3.058 278 HD12 LEU 38 2HD1 LEU 38 0.561 2.765 2.510 279 HD13 LEU 38 3HD1 LEU 38 -0.744 3.159 1.391 280 HD21 LEU 38 1HD2 LEU 38 2.579 5.185 2.450 281 HD22 LEU 38 2HD2 LEU 38 1.549 4.480 3.696 282 HD23 LEU 38 3HD2 LEU 38 1.355 6.175 3.246 283 H GLU 39 H GLU 39 3.519 4.547 -1.038 284 HA GLU 39 HA GLU 39 2.845 4.564 -3.902 285 HB2 GLU 39 1HB GLU 39 4.651 6.220 -3.310 286 HB3 GLU 39 2HB GLU 39 5.646 4.859 -2.814 287 HG2 GLU 39 1HG GLU 39 5.760 4.012 -5.012 288 HG3 GLU 39 2HG GLU 39 4.479 5.087 -5.569 289 H VAL 40 H VAL 40 2.438 2.529 -4.448 290 HA VAL 40 HA VAL 40 3.471 0.291 -3.001 291 HB VAL 40 HB VAL 40 2.012 0.364 -5.646 292 HG11 VAL 40 1HG1 VAL 40 1.889 -2.024 -3.925 293 HG12 VAL 40 2HG1 VAL 40 1.978 -1.892 -5.683 294 HG13 VAL 40 3HG1 VAL 40 3.439 -1.724 -4.709 295 HG21 VAL 40 1HG2 VAL 40 0.277 -0.630 -3.786 296 HG22 VAL 40 2HG2 VAL 40 1.141 0.599 -2.861 297 HG23 VAL 40 3HG2 VAL 40 0.309 1.040 -4.353 298 H ILE 41 H ILE 41 5.567 -0.205 -3.148 299 HA ILE 41 HA ILE 41 6.945 0.064 -5.714 300 HB ILE 41 HB ILE 41 9.005 -0.416 -4.406 301 HG12 ILE 41 1HG1 ILE 41 7.143 -0.268 -2.025 302 HG13 ILE 41 2HG1 ILE 41 7.923 -1.733 -2.612 303 HG21 ILE 41 1HG2 ILE 41 7.988 1.786 -2.830 304 HG22 ILE 41 2HG2 ILE 41 9.206 1.780 -4.104 305 HG23 ILE 41 3HG2 ILE 41 7.497 1.910 -4.519 306 HD11 ILE 41 1HD1 ILE 41 10.118 -0.444 -2.242 307 HD12 ILE 41 2HD1 ILE 41 9.135 0.627 -1.244 308 HD13 ILE 41 3HD1 ILE 41 9.258 -1.085 -0.843 309 H GLU 42 H GLU 42 6.222 -2.359 -3.233 310 HA GLU 42 HA GLU 42 6.730 -4.444 -5.242 311 HB2 GLU 42 1HB GLU 42 7.892 -4.170 -2.523 312 HB3 GLU 42 2HB GLU 42 7.405 -5.784 -3.020 313 HG2 GLU 42 1HG GLU 42 9.141 -4.095 -4.775 314 HG3 GLU 42 2HG GLU 42 9.823 -5.028 -3.444 315 H ASP 43 H ASP 43 5.775 -6.598 -4.482 316 HA ASP 43 HA ASP 43 3.066 -6.057 -3.503 317 HB2 ASP 43 1HB ASP 43 2.746 -8.495 -4.391 318 HB3 ASP 43 2HB ASP 43 2.853 -7.159 -5.534 319 H GLY 44 H GLY 44 4.763 -5.983 -1.449 320 HA2 GLY 44 1HA GLY 44 5.508 -7.045 0.478 321 HA3 GLY 44 2HA GLY 44 3.837 -7.588 0.489 322 H ASP 45 H ASP 45 4.523 -9.500 1.572 323 HA ASP 45 HA ASP 45 5.704 -11.475 -0.264 324 HB2 ASP 45 1HB ASP 45 6.863 -12.524 1.609 325 HB3 ASP 45 2HB ASP 45 7.355 -10.840 1.455 326 H MET 46 H MET 46 2.926 -10.629 0.897 327 HA MET 46 HA MET 46 2.099 -13.344 1.688 328 HB2 MET 46 1HB MET 46 0.757 -10.716 2.346 329 HB3 MET 46 2HB MET 46 0.208 -12.308 2.854 330 HG2 MET 46 1HG MET 46 1.996 -12.584 4.328 331 HG3 MET 46 2HG MET 46 2.928 -11.291 3.579 332 HE1 MET 46 1HE MET 46 1.619 -11.939 6.889 333 HE2 MET 46 2HE MET 46 0.124 -11.020 7.069 334 HE3 MET 46 3HE MET 46 0.197 -12.373 5.939 335 H GLU 47 H GLU 47 -0.519 -13.359 1.312 336 HA GLU 47 HA GLU 47 -0.778 -13.011 -1.585 337 HB2 GLU 47 1HB GLU 47 -2.542 -14.581 0.301 338 HB3 GLU 47 2HB GLU 47 -2.606 -14.605 -1.455 339 HG2 GLU 47 1HG GLU 47 -0.761 -15.922 -1.649 340 HG3 GLU 47 2HG GLU 47 -0.042 -15.329 -0.152 341 H ASP 48 H ASP 48 -1.711 -11.546 1.292 342 HA ASP 48 HA ASP 48 -3.781 -10.015 -0.123 343 HB2 ASP 48 1HB ASP 48 -3.985 -11.273 2.606 344 HB3 ASP 48 2HB ASP 48 -4.976 -9.890 2.151 345 H TRP 49 H TRP 49 -0.913 -9.580 0.582 346 HA TRP 49 HA TRP 49 -1.272 -6.932 1.744 347 HB2 TRP 49 1HB TRP 49 0.870 -8.776 2.808 348 HB3 TRP 49 2HB TRP 49 0.422 -7.183 3.411 349 HD1 TRP 49 HD TRP 49 -1.341 -10.626 2.987 350 HE1 TRP 49 1HE TRP 49 -2.837 -10.999 5.048 351 HE3 TRP 49 3HE TRP 49 -0.479 -6.216 5.424 352 HZ2 TRP 49 2HZ TRP 49 -3.557 -9.607 7.396 353 HZ3 TRP 49 3HZ TRP 49 -1.611 -5.814 7.572 354 HH2 TRP 49 HH TRP 49 -3.118 -7.476 8.535 355 H VAL 50 H VAL 50 0.190 -5.425 1.019 356 HA VAL 50 HA VAL 50 2.186 -6.388 -0.927 357 HB VAL 50 HB VAL 50 1.871 -4.225 -2.123 358 HG11 VAL 50 1HG1 VAL 50 0.305 -6.533 -2.202 359 HG12 VAL 50 2HG1 VAL 50 -0.837 -5.193 -2.316 360 HG13 VAL 50 3HG1 VAL 50 0.488 -5.325 -3.473 361 HG21 VAL 50 1HG2 VAL 50 -0.423 -3.137 -1.609 362 HG22 VAL 50 2HG2 VAL 50 -0.241 -3.894 -0.027 363 HG23 VAL 50 3HG2 VAL 50 0.962 -2.736 -0.593 364 H LYS 51 H LYS 51 3.730 -4.367 -1.426 365 HA LYS 51 HA LYS 51 4.718 -3.460 1.198 366 HB2 LYS 51 1HB LYS 51 6.099 -5.092 -0.291 367 HB3 LYS 51 2HB LYS 51 6.448 -3.658 -1.248 368 HG2 LYS 51 1HG LYS 51 7.474 -2.582 0.640 369 HG3 LYS 51 2HG LYS 51 7.002 -3.913 1.700 370 HD2 LYS 51 1HD LYS 51 8.618 -4.559 -0.709 371 HD3 LYS 51 2HD LYS 51 9.428 -3.752 0.635 372 HE2 LYS 51 1HE LYS 51 8.432 -5.548 2.123 373 HE3 LYS 51 2HE LYS 51 7.995 -6.398 0.642 374 HZ1 LYS 51 1HZ LYS 51 10.764 -5.511 0.920 375 HZ2 LYS 51 2HZ LYS 51 10.144 -6.903 0.185 376 HZ3 LYS 51 3HZ LYS 51 10.272 -6.822 1.870 377 H ALA 52 H ALA 52 4.339 -1.377 1.533 378 HA ALA 52 HA ALA 52 4.715 0.496 -0.708 379 HB1 ALA 52 1HB ALA 52 2.462 0.414 1.278 380 HB2 ALA 52 2HB ALA 52 2.871 1.874 0.376 381 HB3 ALA 52 3HB ALA 52 2.378 0.416 -0.484 382 H ARG 53 H ARG 53 5.434 2.600 -0.136 383 HA ARG 53 HA ARG 53 6.691 2.731 2.526 384 HB2 ARG 53 1HB ARG 53 8.390 2.551 0.832 385 HB3 ARG 53 2HB ARG 53 7.641 3.824 -0.123 386 HG2 ARG 53 1HG ARG 53 8.161 5.446 1.633 387 HG3 ARG 53 2HG ARG 53 8.925 4.166 2.578 388 HD2 ARG 53 1HD ARG 53 9.837 4.584 -0.220 389 HD3 ARG 53 2HD ARG 53 10.324 5.763 0.996 390 HE ARG 53 HE ARG 53 10.970 3.442 2.175 391 HH11 ARG 53 2HH1 ARG 53 11.597 4.690 -1.014 392 HH12 ARG 53 1HH1 ARG 53 13.093 3.836 -1.196 393 HH21 ARG 53 2HH2 ARG 53 12.938 2.312 1.947 394 HH22 ARG 53 1HH2 ARG 53 13.855 2.483 0.488 395 H ASN 54 H ASN 54 6.551 4.618 3.695 396 HA ASN 54 HA ASN 54 4.543 6.530 2.740 397 HB2 ASN 54 1HB ASN 54 4.759 7.241 5.279 398 HB3 ASN 54 2HB ASN 54 3.792 5.847 4.807 399 HD21 ASN 54 1HD2 ASN 54 4.119 5.180 7.022 400 HD22 ASN 54 2HD2 ASN 54 5.569 4.343 7.450 401 H LYS 55 H LYS 55 4.981 8.775 4.023 402 HA LYS 55 HA LYS 55 7.125 9.983 2.667 403 HB2 LYS 55 1HB LYS 55 6.604 11.977 3.999 404 HB3 LYS 55 2HB LYS 55 5.145 11.234 3.357 405 HG2 LYS 55 1HG LYS 55 5.109 10.031 5.686 406 HG3 LYS 55 2HG LYS 55 6.113 11.401 6.165 407 HD2 LYS 55 1HD LYS 55 3.596 11.903 4.644 408 HD3 LYS 55 2HD LYS 55 3.498 11.518 6.364 409 HE2 LYS 55 1HE LYS 55 5.355 13.644 5.355 410 HE3 LYS 55 2HE LYS 55 3.653 13.993 5.651 411 HZ1 LYS 55 1HZ LYS 55 4.794 14.542 7.615 412 HZ2 LYS 55 2HZ LYS 55 5.694 13.111 7.607 413 HZ3 LYS 55 3HZ LYS 55 4.037 13.065 7.942 414 H VAL 56 H VAL 56 6.964 8.336 5.683 415 HA VAL 56 HA VAL 56 9.441 9.494 6.678 416 HB VAL 56 HB VAL 56 9.101 7.774 8.537 417 HG11 VAL 56 1HG1 VAL 56 7.639 10.230 7.958 418 HG12 VAL 56 2HG1 VAL 56 6.827 9.192 9.132 419 HG13 VAL 56 3HG1 VAL 56 8.481 9.730 9.425 420 HG21 VAL 56 1HG2 VAL 56 7.073 6.637 8.737 421 HG22 VAL 56 2HG2 VAL 56 6.288 7.624 7.504 422 HG23 VAL 56 3HG2 VAL 56 7.501 6.432 7.039 423 H GLY 57 H GLY 57 8.750 7.282 4.393 424 HA2 GLY 57 1HA GLY 57 10.224 5.878 3.270 425 HA3 GLY 57 2HA GLY 57 11.377 6.089 4.578 426 H GLN 58 H GLN 58 9.223 5.349 6.548 427 HA GLN 58 HA GLN 58 9.883 2.749 7.050 428 HB2 GLN 58 1HB GLN 58 7.478 4.392 7.713 429 HB3 GLN 58 2HB GLN 58 7.461 2.676 8.097 430 HG2 GLN 58 1HG GLN 58 9.700 3.118 9.265 431 HG3 GLN 58 2HG GLN 58 9.252 4.820 9.168 432 HE21 GLN 58 1HE2 GLN 58 9.516 4.318 11.582 433 HE22 GLN 58 2HE2 GLN 58 8.064 3.902 12.422 434 H VAL 59 H VAL 59 9.679 0.956 5.900 435 HA VAL 59 HA VAL 59 7.398 0.714 4.051 436 HB VAL 59 HB VAL 59 10.039 -0.747 3.924 437 HG11 VAL 59 1HG1 VAL 59 8.948 -2.127 2.563 438 HG12 VAL 59 2HG1 VAL 59 7.500 -1.118 2.600 439 HG13 VAL 59 3HG1 VAL 59 8.785 -0.778 1.439 440 HG21 VAL 59 1HG2 VAL 59 9.991 0.796 1.714 441 HG22 VAL 59 2HG2 VAL 59 9.150 1.851 2.849 442 HG23 VAL 59 3HG2 VAL 59 10.773 1.270 3.222 443 H GLY 60 H GLY 60 5.907 -0.778 4.476 444 HA2 GLY 60 1HA GLY 60 6.665 -3.191 5.957 445 HA3 GLY 60 2HA GLY 60 5.398 -2.177 6.633 446 H TYR 61 H TYR 61 4.258 -4.320 6.386 447 HA TYR 61 HA TYR 61 3.250 -4.695 3.651 448 HB2 TYR 61 1HB TYR 61 3.057 -6.552 6.031 449 HB3 TYR 61 2HB TYR 61 2.501 -6.906 4.399 450 HD1 TYR 61 2HD TYR 61 4.574 -6.219 2.627 451 HD2 TYR 61 1HD TYR 61 4.938 -7.759 6.576 452 HE1 TYR 61 2HE TYR 61 6.791 -7.123 2.064 453 HE2 TYR 61 1HE TYR 61 7.156 -8.665 6.025 454 HH TYR 61 HH TYR 61 8.255 -9.352 3.371 455 H VAL 62 H VAL 62 1.217 -4.180 3.157 456 HA VAL 62 HA VAL 62 -0.741 -3.860 5.323 457 HB VAL 62 HB VAL 62 -1.619 -1.820 4.280 458 HG11 VAL 62 1HG1 VAL 62 1.288 -1.283 4.696 459 HG12 VAL 62 2HG1 VAL 62 -0.116 -0.383 5.274 460 HG13 VAL 62 3HG1 VAL 62 0.321 -1.918 6.026 461 HG21 VAL 62 1HG2 VAL 62 0.451 -0.894 2.684 462 HG22 VAL 62 2HG2 VAL 62 0.237 -2.571 2.184 463 HG23 VAL 62 3HG2 VAL 62 -1.128 -1.456 2.135 464 HA PRO 63 HA PRO 63 -3.452 -6.122 2.707 465 HB2 PRO 63 1HB PRO 63 -5.850 -5.170 3.552 466 HB3 PRO 63 2HB PRO 63 -4.859 -6.270 4.518 467 HG2 PRO 63 1HG PRO 63 -5.130 -3.295 4.715 468 HG3 PRO 63 2HG PRO 63 -5.079 -4.502 6.013 469 HD2 PRO 63 1HD PRO 63 -2.926 -3.012 5.324 470 HD3 PRO 63 2HD PRO 63 -2.782 -4.672 5.935 471 H GLU 64 H GLU 64 -3.410 -5.629 0.589 472 HA GLU 64 HA GLU 64 -3.614 -3.218 -0.659 473 HB2 GLU 64 1HB GLU 64 -3.285 -5.678 -1.578 474 HB3 GLU 64 2HB GLU 64 -4.998 -5.530 -1.945 475 HG2 GLU 64 1HG GLU 64 -3.001 -3.476 -2.830 476 HG3 GLU 64 2HG GLU 64 -3.345 -4.922 -3.777 477 H LYS 65 H LYS 65 -6.348 -5.436 -0.097 478 HA LYS 65 HA LYS 65 -8.445 -4.129 -1.136 479 HB2 LYS 65 1HB LYS 65 -9.848 -5.019 0.643 480 HB3 LYS 65 2HB LYS 65 -8.634 -6.203 0.178 481 HG2 LYS 65 1HG LYS 65 -7.280 -5.195 2.157 482 HG3 LYS 65 2HG LYS 65 -8.857 -4.606 2.687 483 HD2 LYS 65 1HD LYS 65 -9.649 -6.707 3.118 484 HD3 LYS 65 2HD LYS 65 -8.635 -7.460 1.885 485 HE2 LYS 65 1HE LYS 65 -6.724 -7.381 3.275 486 HE3 LYS 65 2HE LYS 65 -7.508 -6.288 4.415 487 HZ1 LYS 65 1HZ LYS 65 -7.421 -8.547 5.265 488 HZ2 LYS 65 2HZ LYS 65 -8.282 -9.113 3.924 489 HZ3 LYS 65 3HZ LYS 65 -9.025 -8.064 5.024 490 H TYR 66 H TYR 66 -6.960 -3.305 1.985 491 HA TYR 66 HA TYR 66 -8.679 -1.197 2.653 492 HB2 TYR 66 1HB TYR 66 -5.892 -1.953 3.441 493 HB3 TYR 66 2HB TYR 66 -6.532 -0.392 3.940 494 HD1 TYR 66 1HD TYR 66 -7.434 -4.016 3.964 495 HD2 TYR 66 2HD TYR 66 -7.711 -0.251 5.928 496 HE1 TYR 66 1HE TYR 66 -8.569 -5.095 5.861 497 HE2 TYR 66 2HE TYR 66 -8.845 -1.320 7.830 498 HH TYR 66 HH TYR 66 -8.842 -3.842 8.795 499 H LEU 67 H LEU 67 -5.719 -1.266 0.734 500 HA LEU 67 HA LEU 67 -5.543 1.560 0.411 501 HB2 LEU 67 1HB LEU 67 -4.357 -0.628 -1.289 502 HB3 LEU 67 2HB LEU 67 -3.874 1.067 -1.289 503 HG LEU 67 HG LEU 67 -3.570 -0.809 1.055 504 HD11 LEU 67 1HD1 LEU 67 -1.119 0.135 -0.113 505 HD12 LEU 67 2HD1 LEU 67 -2.083 -0.731 -1.309 506 HD13 LEU 67 3HD1 LEU 67 -1.647 -1.517 0.208 507 HD21 LEU 67 1HD2 LEU 67 -1.941 1.083 1.707 508 HD22 LEU 67 2HD2 LEU 67 -3.670 1.330 1.954 509 HD23 LEU 67 3HD2 LEU 67 -2.864 2.060 0.565 510 H GLN 68 H GLN 68 -5.796 2.714 -1.620 511 HA GLN 68 HA GLN 68 -7.953 1.590 -3.283 512 HB2 GLN 68 1HB GLN 68 -8.617 3.502 -1.784 513 HB3 GLN 68 2HB GLN 68 -7.510 4.518 -2.698 514 HG2 GLN 68 1HG GLN 68 -8.844 3.775 -4.758 515 HG3 GLN 68 2HG GLN 68 -10.058 3.237 -3.599 516 HE21 GLN 68 1HE2 GLN 68 -11.310 4.863 -4.858 517 HE22 GLN 68 2HE2 GLN 68 -11.271 6.500 -4.307 518 H PHE 69 H PHE 69 -6.476 0.760 -4.801 519 HA PHE 69 HA PHE 69 -4.377 2.146 -5.993 520 HB2 PHE 69 1HB PHE 69 -6.101 -0.146 -6.860 521 HB3 PHE 69 2HB PHE 69 -4.952 0.555 -7.995 522 HD1 PHE 69 1HD PHE 69 -4.699 -0.084 -4.335 523 HD2 PHE 69 2HD PHE 69 -3.221 -0.946 -8.232 524 HE1 PHE 69 1HE PHE 69 -2.902 -1.444 -3.349 525 HE2 PHE 69 2HE PHE 69 -1.422 -2.308 -7.252 526 HZ PHE 69 HZ PHE 69 -1.261 -2.560 -4.808 527 HA PRO 70 HA PRO 70 -6.159 5.104 -8.698 528 HB2 PRO 70 1HB PRO 70 -4.473 4.998 -10.823 529 HB3 PRO 70 2HB PRO 70 -4.018 5.710 -9.270 530 HG2 PRO 70 1HG PRO 70 -3.400 2.992 -10.362 531 HG3 PRO 70 2HG PRO 70 -2.339 4.116 -9.493 532 HD2 PRO 70 1HD PRO 70 -3.518 1.998 -8.286 533 HD3 PRO 70 2HD PRO 70 -3.183 3.518 -7.433 534 H THR 71 H THR 71 -5.476 1.926 -10.064 535 HA THR 71 HA THR 71 -7.191 2.318 -12.345 536 HB THR 71 HB THR 71 -6.011 -0.260 -11.291 537 HG1 THR 71 1HG THR 71 -4.323 0.150 -12.706 538 HG21 THR 71 1HG2 THR 71 -6.302 -0.988 -13.663 539 HG22 THR 71 2HG2 THR 71 -7.214 0.493 -13.955 540 HG23 THR 71 3HG2 THR 71 -7.819 -0.704 -12.810 541 H SER 72 H SER 72 -9.281 1.761 -12.572 542 HA SER 72 HA SER 72 -10.784 1.090 -10.216 543 HB2 SER 72 1HB SER 72 -12.714 1.543 -11.491 544 HB3 SER 72 2HB SER 72 -11.504 2.653 -12.134 545 HG SER 72 HG SER 72 -12.348 0.187 -13.252 546 H SER 73 H SER 73 -9.120 -0.974 -10.527 547 HA SER 73 HA SER 73 -10.854 -3.126 -11.550 548 HB2 SER 73 1HB SER 73 -7.826 -3.064 -11.581 549 HB3 SER 73 2HB SER 73 -8.835 -4.401 -12.134 550 HG SER 73 HG SER 73 -8.562 -3.348 -13.969 551 H GLY 74 H GLY 74 -11.348 -4.707 -10.154 552 HA2 GLY 74 1HA GLY 74 -10.299 -6.185 -8.373 553 HA3 GLY 74 2HA GLY 74 -9.973 -4.671 -7.542 554 HA PRO 75 HA PRO 75 -13.946 -4.583 -5.690 555 HB2 PRO 75 1HB PRO 75 -14.991 -2.145 -6.270 556 HB3 PRO 75 2HB PRO 75 -13.642 -2.370 -5.150 557 HG2 PRO 75 1HG PRO 75 -13.598 -1.539 -8.025 558 HG3 PRO 75 2HG PRO 75 -12.673 -0.889 -6.658 559 HD2 PRO 75 1HD PRO 75 -11.612 -2.633 -8.438 560 HD3 PRO 75 2HD PRO 75 -11.127 -2.597 -6.730 561 H SER 76 H SER 76 -13.712 -4.762 -8.970 562 HA SER 76 HA SER 76 -15.987 -4.184 -10.232 563 HB2 SER 76 1HB SER 76 -14.039 -5.664 -11.035 564 HB3 SER 76 2HB SER 76 -14.969 -7.017 -10.391 565 HG SER 76 HG SER 76 -15.243 -5.875 -12.734 566 H SER 77 H SER 77 -18.097 -4.846 -10.365 567 HA SER 77 HA SER 77 -19.032 -6.554 -8.159 568 HB2 SER 77 1HB SER 77 -19.799 -4.093 -8.393 569 HB3 SER 77 2HB SER 77 -20.793 -4.681 -9.726 570 HG SER 77 HG SER 77 -21.928 -5.941 -8.332 571 H GLY 78 H GLY 78 -19.644 -8.533 -8.705 572 HA2 GLY 78 1HA GLY 78 -19.693 -9.763 -11.078 573 HA3 GLY 78 2HA GLY 78 -20.860 -10.168 -9.828
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