NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
280939 | 2kp7 | 16549 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ARG 11 H ARG 11 1.019 -2.984 -0.991 2 HA ARG 11 HA ARG 11 0.880 -0.113 -1.641 3 HB2 ARG 11 HB2 ARG 11 2.980 -2.225 -2.267 4 HB3 ARG 11 HB3 ARG 11 2.880 -0.699 -3.144 5 HG2 ARG 11 HG2 ARG 11 3.244 0.548 -1.053 6 HG3 ARG 11 HG3 ARG 11 3.329 -0.967 -0.150 7 HD2 ARG 11 HD2 ARG 11 5.235 -0.289 -2.417 8 HD3 ARG 11 HD3 ARG 11 5.546 0.140 -0.734 9 HE ARG 11 HE ARG 11 4.996 -2.678 -1.239 10 HH11 ARG 11 HH11 ARG 11 7.495 -0.229 -0.878 11 HH12 ARG 11 HH12 ARG 11 8.718 -1.384 -0.443 12 HH21 ARG 11 HH21 ARG 11 6.623 -4.177 -0.667 13 HH22 ARG 11 HH22 ARG 11 8.226 -3.601 -0.331 14 HA PRO 12 HA PRO 12 -1.717 -1.346 -5.064 15 HB2 PRO 12 HB2 PRO 12 -1.232 0.589 -6.910 16 HB3 PRO 12 HB3 PRO 12 -2.036 0.952 -5.373 17 HG2 PRO 12 HG2 PRO 12 0.887 1.274 -6.096 18 HG3 PRO 12 HG3 PRO 12 -0.206 2.457 -5.341 19 HD2 PRO 12 HD2 PRO 12 1.498 0.969 -3.857 20 HD3 PRO 12 HD3 PRO 12 -0.117 1.403 -3.250 21 H LEU 13 H LEU 13 1.683 -1.498 -5.322 22 HA LEU 13 HA LEU 13 1.971 -2.514 -7.971 23 HB2 LEU 13 HB2 LEU 13 3.744 -2.780 -5.503 24 HB3 LEU 13 HB3 LEU 13 4.177 -3.451 -7.062 25 HG LEU 13 HG LEU 13 5.402 -1.419 -6.808 26 HD11 LEU 13 HD11 LEU 13 4.541 -1.810 -9.051 27 HD12 LEU 13 HD12 LEU 13 4.712 -0.090 -8.714 28 HD13 LEU 13 HD13 LEU 13 3.111 -0.836 -8.693 29 HD21 LEU 13 HD21 LEU 13 4.092 -0.361 -5.034 30 HD22 LEU 13 HD22 LEU 13 2.819 0.045 -6.188 31 HD23 LEU 13 HD23 LEU 13 4.422 0.774 -6.343 32 HA PRO 14 HA PRO 14 0.169 -6.550 -6.784 33 HB2 PRO 14 HB2 PRO 14 0.047 -7.229 -9.632 34 HB3 PRO 14 HB3 PRO 14 -1.283 -6.821 -8.543 35 HG2 PRO 14 HG2 PRO 14 -0.492 -5.203 -10.613 36 HG3 PRO 14 HG3 PRO 14 -1.250 -4.580 -9.131 37 HD2 PRO 14 HD2 PRO 14 1.694 -4.700 -9.845 38 HD3 PRO 14 HD3 PRO 14 0.755 -3.351 -9.156 39 H VAL 15 H VAL 15 3.181 -5.939 -7.319 40 HA VAL 15 HA VAL 15 4.363 -8.259 -8.455 41 HB VAL 15 HB VAL 15 5.577 -6.393 -6.357 42 HG11 VAL 15 HG11 VAL 15 6.881 -8.462 -6.669 43 HG12 VAL 15 HG12 VAL 15 7.764 -7.072 -7.305 44 HG13 VAL 15 HG13 VAL 15 6.944 -8.176 -8.411 45 HG21 VAL 15 HG21 VAL 15 4.753 -5.046 -8.234 46 HG22 VAL 15 HG22 VAL 15 5.607 -6.079 -9.382 47 HG23 VAL 15 HG23 VAL 15 6.521 -5.080 -8.248 48 H CYS 16 H CYS 16 4.642 -10.224 -7.593 49 HA CYS 16 HA CYS 16 4.380 -12.058 -6.348 50 HB2 CYS 16 HB2 CYS 16 4.473 -10.255 -3.900 51 HB3 CYS 16 HB3 CYS 16 4.571 -12.015 -3.882 52 HG CYS 16 HG CYS 16 6.860 -10.822 -5.907 53 HA PRO 17 HA PRO 17 -0.236 -11.818 -6.213 54 HB2 PRO 17 HB2 PRO 17 0.216 -14.802 -6.297 55 HB3 PRO 17 HB3 PRO 17 -0.905 -13.810 -7.242 56 HG2 PRO 17 HG2 PRO 17 1.325 -14.761 -8.361 57 HG3 PRO 17 HG3 PRO 17 0.756 -13.122 -8.742 58 HD2 PRO 17 HD2 PRO 17 2.990 -13.973 -6.899 59 HD3 PRO 17 HD3 PRO 17 2.925 -12.608 -8.038 60 H ASN 18 H ASN 18 -0.154 -11.040 -4.083 61 HA ASN 18 HA ASN 18 0.208 -12.922 -1.875 62 HB2 ASN 18 HB2 ASN 18 -0.003 -10.946 -0.401 63 HB3 ASN 18 HB3 ASN 18 1.233 -10.704 -1.623 64 HD21 ASN 18 HD21 ASN 18 0.740 -9.296 -3.418 65 HD22 ASN 18 HD22 ASN 18 -0.429 -8.040 -3.236 66 HA PRO 19 HA PRO 19 -4.202 -14.136 -2.062 67 HB2 PRO 19 HB2 PRO 19 -3.410 -14.786 0.797 68 HB3 PRO 19 HB3 PRO 19 -4.387 -15.732 -0.342 69 HG2 PRO 19 HG2 PRO 19 -1.827 -16.348 0.057 70 HG3 PRO 19 HG3 PRO 19 -2.534 -16.425 -1.569 71 HD2 PRO 19 HD2 PRO 19 -0.642 -14.412 -0.428 72 HD3 PRO 19 HD3 PRO 19 -0.825 -14.970 -2.105 73 H LEU 20 H LEU 20 -6.139 -13.492 -1.155 74 HA LEU 20 HA LEU 20 -6.432 -10.974 0.124 75 HB2 LEU 20 HB2 LEU 20 -8.079 -12.416 -1.342 76 HB3 LEU 20 HB3 LEU 20 -8.501 -13.201 0.166 77 HG LEU 20 HG LEU 20 -9.366 -11.067 1.066 78 HD11 LEU 20 HD11 LEU 20 -7.844 -9.499 -0.054 79 HD12 LEU 20 HD12 LEU 20 -9.526 -9.062 -0.343 80 HD13 LEU 20 HD13 LEU 20 -8.595 -9.861 -1.612 81 HD21 LEU 20 HD21 LEU 20 -10.906 -12.513 -0.189 82 HD22 LEU 20 HD22 LEU 20 -10.454 -11.714 -1.698 83 HD23 LEU 20 HD23 LEU 20 -11.306 -10.813 -0.443 84 H PHE 21 H PHE 21 -5.866 -14.186 1.244 85 HA PHE 21 HA PHE 21 -6.500 -14.093 3.966 86 HB2 PHE 21 HB2 PHE 21 -4.230 -15.580 2.578 87 HB3 PHE 21 HB3 PHE 21 -4.830 -15.929 4.196 88 HD1 PHE 21 HD1 PHE 21 -7.850 -15.371 2.925 89 HD2 PHE 21 HD2 PHE 21 -4.597 -18.050 2.184 90 HE1 PHE 21 HE1 PHE 21 -9.402 -17.024 2.017 91 HE2 PHE 21 HE2 PHE 21 -6.183 -19.704 1.277 92 HZ PHE 21 HZ PHE 21 -8.587 -19.191 1.195 93 H VAL 22 H VAL 22 -3.677 -12.859 2.191 94 HA VAL 22 HA VAL 22 -1.876 -12.508 4.340 95 HB VAL 22 HB VAL 22 -2.066 -10.939 1.722 96 HG11 VAL 22 HG11 VAL 22 0.231 -10.992 3.727 97 HG12 VAL 22 HG12 VAL 22 -0.804 -9.606 3.375 98 HG13 VAL 22 HG13 VAL 22 0.282 -10.230 2.134 99 HG21 VAL 22 HG21 VAL 22 -0.279 -13.262 2.514 100 HG22 VAL 22 HG22 VAL 22 -0.221 -12.401 0.973 101 HG23 VAL 22 HG23 VAL 22 -1.651 -13.342 1.407 102 H ARG 23 H ARG 23 -4.077 -10.115 2.784 103 HA ARG 23 HA ARG 23 -3.537 -8.013 4.601 104 HB2 ARG 23 HB2 ARG 23 -5.595 -6.919 3.779 105 HB3 ARG 23 HB3 ARG 23 -4.574 -7.480 2.461 106 HG2 ARG 23 HG2 ARG 23 -6.066 -9.174 1.836 107 HG3 ARG 23 HG3 ARG 23 -6.841 -9.225 3.419 108 HD2 ARG 23 HD2 ARG 23 -7.095 -6.896 1.492 109 HD3 ARG 23 HD3 ARG 23 -8.250 -8.229 1.600 110 HE ARG 23 HE ARG 23 -7.864 -7.102 4.162 111 HH11 ARG 23 HH11 ARG 23 -9.406 -6.305 1.106 112 HH12 ARG 23 HH12 ARG 23 -10.636 -5.336 1.857 113 HH21 ARG 23 HH21 ARG 23 -9.447 -5.840 5.118 114 HH22 ARG 23 HH22 ARG 23 -10.655 -5.063 4.138 115 H TRP 24 H TRP 24 -5.959 -10.652 4.706 116 HA TRP 24 HA TRP 24 -7.398 -9.673 6.949 117 HB2 TRP 24 HB2 TRP 24 -7.154 -12.431 5.716 118 HB3 TRP 24 HB3 TRP 24 -8.028 -12.211 7.229 119 HD1 TRP 24 HD1 TRP 24 -9.423 -9.389 6.447 120 HE1 TRP 24 HE1 TRP 24 -11.398 -9.416 4.808 121 HE3 TRP 24 HE3 TRP 24 -8.572 -13.911 4.198 122 HZ2 TRP 24 HZ2 TRP 24 -12.454 -11.094 2.851 123 HZ3 TRP 24 HZ3 TRP 24 -10.129 -14.654 2.450 124 HH2 TRP 24 HH2 TRP 24 -12.035 -13.271 1.792 125 H LEU 25 H LEU 25 -4.627 -11.934 6.784 126 HA LEU 25 HA LEU 25 -4.420 -12.380 9.582 127 HB2 LEU 25 HB2 LEU 25 -2.381 -12.685 7.349 128 HB3 LEU 25 HB3 LEU 25 -2.055 -13.166 9.013 129 HG LEU 25 HG LEU 25 -4.270 -14.326 7.268 130 HD11 LEU 25 HD11 LEU 25 -2.927 -16.392 7.216 131 HD12 LEU 25 HD12 LEU 25 -1.609 -15.561 8.052 132 HD13 LEU 25 HD13 LEU 25 -2.099 -15.043 6.435 133 HD21 LEU 25 HD21 LEU 25 -4.844 -14.307 9.660 134 HD22 LEU 25 HD22 LEU 25 -3.341 -15.154 10.041 135 HD23 LEU 25 HD23 LEU 25 -4.587 -15.947 9.074 136 H THR 26 H THR 26 -3.204 -9.880 7.471 137 HA THR 26 HA THR 26 -1.342 -8.690 9.281 138 HB THR 26 HB THR 26 -2.710 -7.558 6.800 139 HG1 THR 26 HG1 THR 26 -1.175 -9.419 6.665 140 HG21 THR 26 HG21 THR 26 -0.930 -5.853 6.760 141 HG22 THR 26 HG22 THR 26 -0.304 -6.455 8.295 142 HG23 THR 26 HG23 THR 26 -1.902 -5.706 8.227 143 H GLU 27 H GLU 27 -4.758 -7.962 8.379 144 HA GLU 27 HA GLU 27 -4.917 -5.608 10.029 145 HB2 GLU 27 HB2 GLU 27 -7.259 -5.445 9.358 146 HB3 GLU 27 HB3 GLU 27 -6.267 -5.824 7.955 147 HG2 GLU 27 HG2 GLU 27 -6.969 -8.237 8.223 148 HG3 GLU 27 HG3 GLU 27 -8.099 -7.710 9.470 149 H TRP 28 H TRP 28 -5.865 -9.000 10.442 150 HA TRP 28 HA TRP 28 -7.359 -8.651 12.843 151 HB2 TRP 28 HB2 TRP 28 -5.971 -11.117 11.733 152 HB3 TRP 28 HB3 TRP 28 -6.983 -11.134 13.172 153 HD1 TRP 28 HD1 TRP 28 -9.229 -9.102 11.620 154 HE1 TRP 28 HE1 TRP 28 -10.859 -10.310 10.042 155 HE3 TRP 28 HE3 TRP 28 -6.606 -13.420 10.892 156 HZ2 TRP 28 HZ2 TRP 28 -11.026 -12.769 8.686 157 HZ3 TRP 28 HZ3 TRP 28 -7.568 -15.159 9.452 158 HH2 TRP 28 HH2 TRP 28 -9.736 -14.842 8.366 159 H ARG 29 H ARG 29 -3.955 -9.527 12.176 160 HA ARG 29 HA ARG 29 -3.119 -9.779 14.880 161 HB2 ARG 29 HB2 ARG 29 -1.766 -10.773 13.142 162 HB3 ARG 29 HB3 ARG 29 -1.569 -9.229 12.317 163 HG2 ARG 29 HG2 ARG 29 -0.184 -8.388 14.159 164 HG3 ARG 29 HG3 ARG 29 -0.446 -9.882 15.061 165 HD2 ARG 29 HD2 ARG 29 0.838 -11.161 13.472 166 HD3 ARG 29 HD3 ARG 29 0.910 -9.800 12.347 167 HE ARG 29 HE ARG 29 2.696 -8.993 13.490 168 HH11 ARG 29 HH11 ARG 29 1.115 -11.272 15.666 169 HH12 ARG 29 HH12 ARG 29 2.298 -11.062 16.914 170 HH21 ARG 29 HH21 ARG 29 4.218 -8.751 15.122 171 HH22 ARG 29 HH22 ARG 29 4.052 -9.635 16.604 172 H ASP 30 H ASP 30 -3.312 -7.033 12.681 173 HA ASP 30 HA ASP 30 -1.856 -5.127 14.224 174 HB2 ASP 30 HB2 ASP 30 -2.312 -4.859 11.793 175 HB3 ASP 30 HB3 ASP 30 -4.027 -4.664 12.131 176 H GLU 31 H GLU 31 -5.368 -5.685 13.803 177 HA GLU 31 HA GLU 31 -6.337 -3.991 15.806 178 HB2 GLU 31 HB2 GLU 31 -7.464 -6.603 14.729 179 HB3 GLU 31 HB3 GLU 31 -8.324 -5.600 15.897 180 HG2 GLU 31 HG2 GLU 31 -7.539 -4.830 13.075 181 HG3 GLU 31 HG3 GLU 31 -9.164 -5.197 13.653 182 H ALA 32 H ALA 32 -5.143 -7.318 15.965 183 HA ALA 32 HA ALA 32 -5.844 -7.874 18.648 184 HB1 ALA 32 HB1 ALA 32 -4.373 -9.821 18.424 185 HB2 ALA 32 HB2 ALA 32 -3.686 -9.146 16.940 186 HB3 ALA 32 HB3 ALA 32 -5.382 -9.627 16.989 187 H ALA 33 H ALA 33 -3.119 -6.239 17.209 188 HA ALA 33 HA ALA 33 -1.408 -6.275 19.538 189 HB1 ALA 33 HB1 ALA 33 -0.030 -4.666 18.269 190 HB2 ALA 33 HB2 ALA 33 -1.308 -4.521 17.057 191 HB3 ALA 33 HB3 ALA 33 -0.469 -6.058 17.274 192 H SER 34 H SER 34 -3.905 -4.186 18.225 193 HA SER 34 HA SER 34 -3.466 -2.007 20.096 194 HB2 SER 34 HB2 SER 34 -4.241 -1.590 17.782 195 HB3 SER 34 HB3 SER 34 -5.717 -2.501 18.097 196 HG SER 34 HG SER 34 -6.064 -0.271 18.320 197 H ARG 35 H ARG 35 -5.610 -4.807 19.838 198 HA ARG 35 HA ARG 35 -7.459 -3.895 21.923 199 HB2 ARG 35 HB2 ARG 35 -7.532 -6.388 20.168 200 HB3 ARG 35 HB3 ARG 35 -8.798 -5.917 21.304 201 HG2 ARG 35 HG2 ARG 35 -9.303 -3.926 19.976 202 HG3 ARG 35 HG3 ARG 35 -7.954 -4.274 18.886 203 HD2 ARG 35 HD2 ARG 35 -9.081 -6.430 18.269 204 HD3 ARG 35 HD3 ARG 35 -10.460 -5.951 19.269 205 HE ARG 35 HE ARG 35 -9.674 -4.077 17.170 206 HH11 ARG 35 HH11 ARG 35 -11.896 -6.609 18.144 207 HH12 ARG 35 HH12 ARG 35 -12.996 -6.319 16.836 208 HH21 ARG 35 HH21 ARG 35 -11.120 -3.700 15.465 209 HH22 ARG 35 HH22 ARG 35 -12.557 -4.683 15.327 210 H GLY 36 H GLY 36 -4.810 -6.083 21.477 211 HA2 GLY 36 HA2 GLY 36 -3.596 -7.236 23.082 212 HA3 GLY 36 HA3 GLY 36 -4.839 -6.887 24.274 213 H ARG 37 H ARG 37 -5.417 -8.380 21.133 214 HA ARG 37 HA ARG 37 -6.736 -10.674 22.310 215 HB2 ARG 37 HB2 ARG 37 -6.041 -10.262 19.366 216 HB3 ARG 37 HB3 ARG 37 -7.279 -11.321 20.028 217 HG2 ARG 37 HG2 ARG 37 -7.386 -8.301 20.309 218 HG3 ARG 37 HG3 ARG 37 -8.060 -9.147 18.916 219 HD2 ARG 37 HD2 ARG 37 -8.895 -9.797 21.759 220 HD3 ARG 37 HD3 ARG 37 -9.679 -8.530 20.812 221 HE ARG 37 HE ARG 37 -9.990 -10.474 19.116 222 HH11 ARG 37 HH11 ARG 37 -10.206 -10.839 22.592 223 HH12 ARG 37 HH12 ARG 37 -11.440 -12.052 22.513 224 HH21 ARG 37 HH21 ARG 37 -11.629 -12.052 19.020 225 HH22 ARG 37 HH22 ARG 37 -12.246 -12.746 20.487 226 H HIS 38 H HIS 38 -5.887 -12.717 22.533 227 HA HIS 38 HA HIS 38 -3.025 -13.060 22.485 228 HB2 HIS 38 HB2 HIS 38 -5.278 -14.989 23.175 229 HB3 HIS 38 HB3 HIS 38 -3.572 -15.396 23.330 230 HD1 HIS 38 HD1 HIS 38 -3.696 -15.719 25.851 231 HD2 HIS 38 HD2 HIS 38 -4.912 -11.928 24.645 232 HE1 HIS 38 HE1 HIS 38 -3.883 -14.370 27.959 233 HE2 HIS 38 HE2 HIS 38 -4.519 -12.061 27.194 234 H THR 39 H THR 39 -5.487 -13.616 20.204 235 HA THR 39 HA THR 39 -4.348 -15.800 18.741 236 HB THR 39 HB THR 39 -5.999 -15.058 16.953 237 HG1 THR 39 HG1 THR 39 -7.255 -13.304 17.329 238 HG21 THR 39 HG21 THR 39 -8.021 -15.662 18.229 239 HG22 THR 39 HG22 THR 39 -7.165 -15.398 19.750 240 HG23 THR 39 HG23 THR 39 -6.676 -16.712 18.674 241 H ARG 40 H ARG 40 -3.429 -12.586 19.046 242 HA ARG 40 HA ARG 40 -2.537 -11.665 16.603 243 HB2 ARG 40 HB2 ARG 40 -2.505 -10.440 18.763 244 HB3 ARG 40 HB3 ARG 40 -1.190 -11.463 19.329 245 HG2 ARG 40 HG2 ARG 40 0.305 -10.525 17.637 246 HG3 ARG 40 HG3 ARG 40 -1.011 -9.546 16.977 247 HD2 ARG 40 HD2 ARG 40 0.509 -8.262 18.469 248 HD3 ARG 40 HD3 ARG 40 -1.162 -8.269 19.039 249 HE ARG 40 HE ARG 40 1.056 -9.874 20.185 250 HH11 ARG 40 HH11 ARG 40 -2.070 -8.312 20.618 251 HH12 ARG 40 HH12 ARG 40 -2.100 -8.592 22.326 252 HH21 ARG 40 HH21 ARG 40 0.990 -10.219 22.441 253 HH22 ARG 40 HH22 ARG 40 -0.383 -9.677 23.351 254 H PHE 41 H PHE 41 -1.079 -14.059 18.711 255 HA PHE 41 HA PHE 41 1.481 -14.237 17.446 256 HB2 PHE 41 HB2 PHE 41 0.103 -16.129 19.399 257 HB3 PHE 41 HB3 PHE 41 1.799 -16.216 18.937 258 HD1 PHE 41 HD1 PHE 41 -0.714 -14.095 20.704 259 HD2 PHE 41 HD2 PHE 41 3.443 -14.841 20.021 260 HE1 PHE 41 HE1 PHE 41 -0.136 -12.552 22.529 261 HE2 PHE 41 HE2 PHE 41 4.009 -13.293 21.850 262 HZ PHE 41 HZ PHE 41 2.224 -12.153 23.100 263 H VAL 42 H VAL 42 -1.548 -16.148 17.220 264 HA VAL 42 HA VAL 42 -0.378 -18.172 15.540 265 HB VAL 42 HB VAL 42 -2.376 -18.618 17.044 266 HG11 VAL 42 HG11 VAL 42 -4.654 -18.147 16.214 267 HG12 VAL 42 HG12 VAL 42 -3.971 -17.197 14.894 268 HG13 VAL 42 HG13 VAL 42 -3.763 -16.662 16.561 269 HG21 VAL 42 HG21 VAL 42 -2.686 -19.396 14.126 270 HG22 VAL 42 HG22 VAL 42 -3.447 -20.223 15.488 271 HG23 VAL 42 HG23 VAL 42 -1.688 -20.227 15.320 272 H PHE 43 H PHE 43 -2.153 -15.179 15.002 273 HA PHE 43 HA PHE 43 -2.485 -15.419 12.177 274 HB2 PHE 43 HB2 PHE 43 -2.387 -12.927 13.936 275 HB3 PHE 43 HB3 PHE 43 -2.844 -12.923 12.237 276 HD1 PHE 43 HD1 PHE 43 -4.534 -15.495 12.287 277 HD2 PHE 43 HD2 PHE 43 -4.429 -12.080 14.865 278 HE1 PHE 43 HE1 PHE 43 -6.881 -15.881 12.901 279 HE2 PHE 43 HE2 PHE 43 -6.787 -12.478 15.468 280 HZ PHE 43 HZ PHE 43 -8.009 -14.379 14.488 281 H GLN 44 H GLN 44 0.134 -14.330 14.274 282 HA GLN 44 HA GLN 44 1.746 -13.072 12.297 283 HB2 GLN 44 HB2 GLN 44 2.127 -12.635 14.668 284 HB3 GLN 44 HB3 GLN 44 2.519 -14.320 14.965 285 HG2 GLN 44 HG2 GLN 44 4.555 -13.025 14.961 286 HG3 GLN 44 HG3 GLN 44 4.552 -14.083 13.557 287 HE21 GLN 44 HE21 GLN 44 6.054 -11.589 14.090 288 HE22 GLN 44 HE22 GLN 44 5.700 -10.534 12.767 289 H LYS 45 H LYS 45 2.032 -16.332 13.805 290 HA LYS 45 HA LYS 45 4.223 -17.169 12.226 291 HB2 LYS 45 HB2 LYS 45 3.757 -19.441 13.094 292 HB3 LYS 45 HB3 LYS 45 3.738 -18.215 14.358 293 HG2 LYS 45 HG2 LYS 45 1.217 -18.209 14.228 294 HG3 LYS 45 HG3 LYS 45 1.323 -19.563 13.102 295 HD2 LYS 45 HD2 LYS 45 0.855 -20.387 15.359 296 HD3 LYS 45 HD3 LYS 45 2.465 -20.913 14.857 297 HE2 LYS 45 HE2 LYS 45 3.478 -19.103 16.200 298 HE3 LYS 45 HE3 LYS 45 1.874 -18.537 16.670 299 HZ1 LYS 45 HZ1 LYS 45 1.510 -20.680 17.748 300 HZ2 LYS 45 HZ2 LYS 45 2.833 -19.856 18.398 301 HZ3 LYS 45 HZ3 LYS 45 3.085 -21.162 17.353 302 H ALA 46 H ALA 46 0.772 -17.338 11.685 303 HA ALA 46 HA ALA 46 0.769 -18.997 9.367 304 HB1 ALA 46 HB1 ALA 46 -1.252 -18.549 10.692 305 HB2 ALA 46 HB2 ALA 46 -1.492 -18.087 9.004 306 HB3 ALA 46 HB3 ALA 46 -1.193 -16.848 10.230 307 H LEU 47 H LEU 47 0.767 -15.455 9.826 308 HA LEU 47 HA LEU 47 0.703 -14.708 7.105 309 HB2 LEU 47 HB2 LEU 47 0.093 -13.185 8.940 310 HB3 LEU 47 HB3 LEU 47 1.745 -13.200 9.533 311 HG LEU 47 HG LEU 47 2.509 -12.038 7.461 312 HD11 LEU 47 HD11 LEU 47 -0.443 -11.893 6.724 313 HD12 LEU 47 HD12 LEU 47 0.799 -12.830 5.885 314 HD13 LEU 47 HD13 LEU 47 0.881 -11.071 5.893 315 HD21 LEU 47 HD21 LEU 47 1.943 -10.712 9.457 316 HD22 LEU 47 HD22 LEU 47 0.262 -10.589 8.929 317 HD23 LEU 47 HD23 LEU 47 1.544 -9.825 7.984 318 H ARG 48 H ARG 48 3.417 -15.254 9.326 319 HA ARG 48 HA ARG 48 5.485 -14.294 7.635 320 HB2 ARG 48 HB2 ARG 48 5.676 -16.264 9.963 321 HB3 ARG 48 HB3 ARG 48 7.050 -15.470 9.197 322 HG2 ARG 48 HG2 ARG 48 4.839 -14.097 10.762 323 HG3 ARG 48 HG3 ARG 48 6.479 -14.417 11.333 324 HD2 ARG 48 HD2 ARG 48 5.718 -12.606 9.013 325 HD3 ARG 48 HD3 ARG 48 6.202 -12.072 10.626 326 HE ARG 48 HE ARG 48 8.297 -13.612 9.794 327 HH11 ARG 48 HH11 ARG 48 6.684 -10.821 8.405 328 HH12 ARG 48 HH12 ARG 48 8.114 -10.244 7.619 329 HH21 ARG 48 HH21 ARG 48 10.164 -12.837 8.765 330 HH22 ARG 48 HH22 ARG 48 10.084 -11.393 7.808 331 H SER 49 H SER 49 4.090 -17.478 8.294 332 HA SER 49 HA SER 49 5.704 -19.136 6.715 333 HB2 SER 49 HB2 SER 49 4.020 -19.961 8.335 334 HB3 SER 49 HB3 SER 49 2.725 -19.379 7.294 335 HG SER 49 HG SER 49 4.192 -20.914 5.768 336 H LEU 50 H LEU 50 2.835 -17.225 5.905 337 HA LEU 50 HA LEU 50 2.533 -18.151 3.231 338 HB2 LEU 50 HB2 LEU 50 0.870 -16.968 4.926 339 HB3 LEU 50 HB3 LEU 50 1.455 -15.488 4.186 340 HG LEU 50 HG LEU 50 0.068 -17.775 2.713 341 HD11 LEU 50 HD11 LEU 50 -1.061 -15.081 3.544 342 HD12 LEU 50 HD12 LEU 50 -1.485 -16.657 4.220 343 HD13 LEU 50 HD13 LEU 50 -1.881 -16.288 2.544 344 HD21 LEU 50 HD21 LEU 50 -0.104 -16.250 0.797 345 HD22 LEU 50 HD22 LEU 50 1.576 -16.571 1.210 346 HD23 LEU 50 HD23 LEU 50 0.838 -15.033 1.664 347 H GLN 51 H GLN 51 4.179 -15.382 4.716 348 HA GLN 51 HA GLN 51 4.867 -13.988 2.331 349 HB2 GLN 51 HB2 GLN 51 6.051 -13.911 5.129 350 HB3 GLN 51 HB3 GLN 51 6.582 -12.835 3.836 351 HG2 GLN 51 HG2 GLN 51 4.377 -11.820 3.699 352 HG3 GLN 51 HG3 GLN 51 3.723 -12.975 4.859 353 HE21 GLN 51 HE21 GLN 51 4.346 -12.794 7.048 354 HE22 GLN 51 HE22 GLN 51 4.957 -11.320 7.695 355 H ARG 52 H ARG 52 6.392 -16.667 4.055 356 HA ARG 52 HA ARG 52 8.794 -16.532 2.356 357 HB2 ARG 52 HB2 ARG 52 9.763 -18.204 3.797 358 HB3 ARG 52 HB3 ARG 52 9.037 -16.967 4.818 359 HG2 ARG 52 HG2 ARG 52 7.096 -18.437 5.219 360 HG3 ARG 52 HG3 ARG 52 7.810 -19.676 4.187 361 HD2 ARG 52 HD2 ARG 52 8.219 -20.276 6.476 362 HD3 ARG 52 HD3 ARG 52 9.756 -19.774 5.767 363 HE ARG 52 HE ARG 52 8.756 -17.505 6.942 364 HH11 ARG 52 HH11 ARG 52 9.496 -20.737 8.095 365 HH12 ARG 52 HH12 ARG 52 9.927 -20.206 9.687 366 HH21 ARG 52 HH21 ARG 52 9.296 -16.821 9.041 367 HH22 ARG 52 HH22 ARG 52 9.800 -17.983 10.225 368 H TYR 53 H TYR 53 5.727 -17.998 2.302 369 HA TYR 53 HA TYR 53 6.557 -20.343 0.732 370 HB2 TYR 53 HB2 TYR 53 4.755 -20.397 2.583 371 HB3 TYR 53 HB3 TYR 53 3.712 -19.518 1.469 372 HD1 TYR 53 HD1 TYR 53 6.074 -22.408 0.998 373 HD2 TYR 53 HD2 TYR 53 2.040 -21.027 0.696 374 HE1 TYR 53 HE1 TYR 53 5.411 -24.565 0.039 375 HE2 TYR 53 HE2 TYR 53 1.379 -23.197 -0.256 376 HH TYR 53 HH TYR 53 3.324 -25.931 -0.139 377 HA PRO 54 HA PRO 54 5.915 -17.672 -2.902 378 HB2 PRO 54 HB2 PRO 54 7.020 -19.231 -4.789 379 HB3 PRO 54 HB3 PRO 54 8.005 -18.573 -3.472 380 HG2 PRO 54 HG2 PRO 54 6.804 -21.333 -3.741 381 HG3 PRO 54 HG3 PRO 54 8.454 -20.881 -3.263 382 HD2 PRO 54 HD2 PRO 54 6.440 -21.493 -1.458 383 HD3 PRO 54 HD3 PRO 54 7.831 -20.454 -1.070 384 H LEU 55 H LEU 55 3.743 -19.706 -2.013 385 HA LEU 55 HA LEU 55 2.395 -20.089 -4.626 386 HB2 LEU 55 HB2 LEU 55 3.082 -22.163 -3.272 387 HB3 LEU 55 HB3 LEU 55 1.918 -21.669 -2.066 388 HG LEU 55 HG LEU 55 1.137 -23.525 -3.543 389 HD11 LEU 55 HD11 LEU 55 -0.526 -22.144 -2.411 390 HD12 LEU 55 HD12 LEU 55 -1.114 -22.757 -3.954 391 HD13 LEU 55 HD13 LEU 55 -0.605 -21.070 -3.810 392 HD21 LEU 55 HD21 LEU 55 1.170 -21.468 -5.765 393 HD22 LEU 55 HD22 LEU 55 0.501 -23.100 -5.864 394 HD23 LEU 55 HD23 LEU 55 2.230 -22.872 -5.614 395 HA PRO 56 HA PRO 56 -0.542 -17.118 -2.716 396 HB2 PRO 56 HB2 PRO 56 -2.206 -16.827 -4.869 397 HB3 PRO 56 HB3 PRO 56 -0.638 -16.016 -4.760 398 HG2 PRO 56 HG2 PRO 56 -1.388 -18.512 -6.261 399 HG3 PRO 56 HG3 PRO 56 -0.349 -17.169 -6.781 400 HD2 PRO 56 HD2 PRO 56 0.634 -19.562 -5.822 401 HD3 PRO 56 HD3 PRO 56 1.510 -18.023 -5.674 402 H LEU 57 H LEU 57 -1.443 -18.429 -1.176 403 HA LEU 57 HA LEU 57 -3.120 -20.675 -1.534 404 HB2 LEU 57 HB2 LEU 57 -3.180 -18.717 0.795 405 HB3 LEU 57 HB3 LEU 57 -3.730 -20.390 0.812 406 HG LEU 57 HG LEU 57 -0.840 -19.457 0.544 407 HD11 LEU 57 HD11 LEU 57 -1.752 -19.123 2.785 408 HD12 LEU 57 HD12 LEU 57 -0.533 -20.391 2.770 409 HD13 LEU 57 HD13 LEU 57 -2.243 -20.820 2.860 410 HD21 LEU 57 HD21 LEU 57 -0.211 -21.835 0.731 411 HD22 LEU 57 HD22 LEU 57 -1.152 -21.524 -0.723 412 HD23 LEU 57 HD23 LEU 57 -1.915 -22.299 0.667 413 H ARG 58 H ARG 58 -4.983 -20.618 -2.630 414 HA ARG 58 HA ARG 58 -6.728 -18.234 -2.635 415 HB2 ARG 58 HB2 ARG 58 -5.990 -19.384 -4.759 416 HB3 ARG 58 HB3 ARG 58 -6.880 -20.813 -4.249 417 HG2 ARG 58 HG2 ARG 58 -8.988 -19.489 -4.342 418 HG3 ARG 58 HG3 ARG 58 -8.060 -18.094 -4.911 419 HD2 ARG 58 HD2 ARG 58 -8.486 -20.746 -6.324 420 HD3 ARG 58 HD3 ARG 58 -8.992 -19.139 -6.860 421 HE ARG 58 HE ARG 58 -6.202 -20.130 -6.762 422 HH11 ARG 58 HH11 ARG 58 -8.575 -17.980 -8.199 423 HH12 ARG 58 HH12 ARG 58 -7.445 -17.301 -9.324 424 HH21 ARG 58 HH21 ARG 58 -4.743 -19.234 -8.212 425 HH22 ARG 58 HH22 ARG 58 -5.269 -18.029 -9.344 426 H SER 59 H SER 59 -6.499 -21.490 -1.443 427 HA SER 59 HA SER 59 -9.185 -21.372 -0.209 428 HB2 SER 59 HB2 SER 59 -9.158 -23.000 -2.092 429 HB3 SER 59 HB3 SER 59 -7.779 -23.823 -1.370 430 HG SER 59 HG SER 59 -10.456 -23.715 -0.482 431 H GLY 60 H GLY 60 -9.376 -22.418 1.812 432 HA2 GLY 60 HA2 GLY 60 -7.180 -22.408 3.612 433 HA3 GLY 60 HA3 GLY 60 -8.775 -23.094 3.915 434 H LYS 61 H LYS 61 -8.510 -24.839 1.488 435 HA LYS 61 HA LYS 61 -7.392 -27.205 2.508 436 HB2 LYS 61 HB2 LYS 61 -9.035 -27.192 0.671 437 HB3 LYS 61 HB3 LYS 61 -7.899 -26.345 -0.375 438 HG2 LYS 61 HG2 LYS 61 -6.395 -28.349 -0.292 439 HG3 LYS 61 HG3 LYS 61 -7.625 -29.194 0.657 440 HD2 LYS 61 HD2 LYS 61 -9.208 -29.057 -1.208 441 HD3 LYS 61 HD3 LYS 61 -8.073 -28.081 -2.144 442 HE2 LYS 61 HE2 LYS 61 -6.496 -30.014 -2.186 443 HE3 LYS 61 HE3 LYS 61 -7.687 -30.982 -1.314 444 HZ1 LYS 61 HZ1 LYS 61 -9.185 -30.801 -3.146 445 HZ2 LYS 61 HZ2 LYS 61 -7.692 -31.328 -3.739 446 HZ3 LYS 61 HZ3 LYS 61 -8.170 -29.723 -3.959 447 H GLU 62 H GLU 62 -6.050 -24.675 0.428 448 HA GLU 62 HA GLU 62 -3.487 -25.924 -0.010 449 HB2 GLU 62 HB2 GLU 62 -4.383 -23.044 -0.449 450 HB3 GLU 62 HB3 GLU 62 -2.887 -23.759 -1.060 451 HG2 GLU 62 HG2 GLU 62 -4.148 -25.286 -2.486 452 HG3 GLU 62 HG3 GLU 62 -5.676 -24.705 -1.815 453 H ALA 63 H ALA 63 -4.850 -23.752 2.364 454 HA ALA 63 HA ALA 63 -2.322 -23.022 3.601 455 HB1 ALA 63 HB1 ALA 63 -4.248 -21.477 3.659 456 HB2 ALA 63 HB2 ALA 63 -3.731 -21.907 5.290 457 HB3 ALA 63 HB3 ALA 63 -5.176 -22.651 4.598 458 H LYS 64 H LYS 64 -4.468 -25.698 3.745 459 HA LYS 64 HA LYS 64 -4.255 -26.526 6.447 460 HB2 LYS 64 HB2 LYS 64 -6.049 -27.325 4.981 461 HB3 LYS 64 HB3 LYS 64 -4.887 -28.094 3.915 462 HG2 LYS 64 HG2 LYS 64 -6.041 -29.756 5.281 463 HG3 LYS 64 HG3 LYS 64 -4.317 -29.721 5.664 464 HD2 LYS 64 HD2 LYS 64 -4.830 -28.344 7.689 465 HD3 LYS 64 HD3 LYS 64 -6.552 -28.460 7.310 466 HE2 LYS 64 HE2 LYS 64 -6.489 -30.887 7.620 467 HE3 LYS 64 HE3 LYS 64 -4.741 -30.839 7.862 468 HZ1 LYS 64 HZ1 LYS 64 -6.799 -29.641 9.627 469 HZ2 LYS 64 HZ2 LYS 64 -5.129 -29.475 9.842 470 HZ3 LYS 64 HZ3 LYS 64 -5.847 -30.999 9.955 471 H ILE 65 H ILE 65 -2.298 -27.203 3.575 472 HA ILE 65 HA ILE 65 -0.681 -29.289 4.615 473 HB ILE 65 HB ILE 65 0.828 -28.904 2.723 474 HG12 ILE 65 HG12 ILE 65 -0.697 -26.289 2.282 475 HG13 ILE 65 HG13 ILE 65 0.973 -26.424 2.812 476 HG21 ILE 65 HG21 ILE 65 -1.310 -30.053 2.253 477 HG22 ILE 65 HG22 ILE 65 -0.772 -29.126 0.852 478 HG23 ILE 65 HG23 ILE 65 -2.070 -28.502 1.874 479 HD11 ILE 65 HD11 ILE 65 0.848 -25.789 0.493 480 HD12 ILE 65 HD12 ILE 65 -0.112 -27.219 0.116 481 HD13 ILE 65 HD13 ILE 65 1.566 -27.396 0.638 482 H LEU 66 H LEU 66 -0.596 -25.849 5.011 483 HA LEU 66 HA LEU 66 2.104 -25.722 6.103 484 HB2 LEU 66 HB2 LEU 66 -0.055 -23.605 5.765 485 HB3 LEU 66 HB3 LEU 66 1.574 -23.288 6.357 486 HG LEU 66 HG LEU 66 1.003 -24.446 3.599 487 HD11 LEU 66 HD11 LEU 66 -0.006 -22.211 3.769 488 HD12 LEU 66 HD12 LEU 66 1.372 -22.217 2.674 489 HD13 LEU 66 HD13 LEU 66 1.542 -21.543 4.297 490 HD21 LEU 66 HD21 LEU 66 3.320 -23.768 3.089 491 HD22 LEU 66 HD22 LEU 66 3.270 -24.912 4.429 492 HD23 LEU 66 HD23 LEU 66 3.526 -23.193 4.748 493 H GLN 67 H GLN 67 2.235 -26.655 8.009 494 HA GLN 67 HA GLN 67 0.189 -26.861 9.984 495 HB2 GLN 67 HB2 GLN 67 3.185 -27.332 10.233 496 HB3 GLN 67 HB3 GLN 67 1.971 -27.860 11.397 497 HG2 GLN 67 HG2 GLN 67 0.983 -29.355 9.704 498 HG3 GLN 67 HG3 GLN 67 2.164 -28.810 8.515 499 HE21 GLN 67 HE21 GLN 67 4.359 -29.460 8.762 500 HE22 GLN 67 HE22 GLN 67 4.789 -30.814 9.746 501 H HIS 68 H HIS 68 2.566 -24.447 9.278 502 HA HIS 68 HA HIS 68 2.861 -23.150 11.771 503 HB2 HIS 68 HB2 HIS 68 2.958 -21.970 8.963 504 HB3 HIS 68 HB3 HIS 68 3.487 -21.118 10.412 505 HD1 HIS 68 HD1 HIS 68 5.184 -22.099 7.795 506 HD2 HIS 68 HD2 HIS 68 5.314 -23.636 11.660 507 HE1 HIS 68 HE1 HIS 68 7.461 -23.136 8.032 508 HE2 HIS 68 HE2 HIS 68 7.467 -24.162 10.324 509 H PHE 69 H PHE 69 0.416 -22.839 9.221 510 HA PHE 69 HA PHE 69 -1.193 -20.843 10.442 511 HB2 PHE 69 HB2 PHE 69 -1.810 -23.002 8.368 512 HB3 PHE 69 HB3 PHE 69 -3.020 -21.846 8.912 513 HD1 PHE 69 HD1 PHE 69 0.560 -21.677 7.702 514 HD2 PHE 69 HD2 PHE 69 -3.405 -20.105 7.417 515 HE1 PHE 69 HE1 PHE 69 1.298 -20.086 5.984 516 HE2 PHE 69 HE2 PHE 69 -2.643 -18.519 5.704 517 HZ PHE 69 HZ PHE 69 -0.297 -18.510 4.992 518 H GLY 70 H GLY 70 -1.738 -24.371 10.118 519 HA2 GLY 70 HA2 GLY 70 -2.605 -25.871 11.700 520 HA3 GLY 70 HA3 GLY 70 -3.023 -24.531 12.763 521 H ASP 71 H ASP 71 -4.816 -26.630 12.115 522 HA ASP 71 HA ASP 71 -6.409 -26.276 9.830 523 HB2 ASP 71 HB2 ASP 71 -7.987 -27.831 10.906 524 HB3 ASP 71 HB3 ASP 71 -6.323 -28.371 11.097 525 H ARG 72 H ARG 72 -6.762 -24.882 13.066 526 HA ARG 72 HA ARG 72 -9.378 -23.817 12.860 527 HB2 ARG 72 HB2 ARG 72 -7.046 -22.625 14.431 528 HB3 ARG 72 HB3 ARG 72 -8.753 -22.272 14.691 529 HG2 ARG 72 HG2 ARG 72 -7.359 -24.922 15.198 530 HG3 ARG 72 HG3 ARG 72 -7.882 -23.759 16.418 531 HD2 ARG 72 HD2 ARG 72 -10.257 -24.129 15.604 532 HD3 ARG 72 HD3 ARG 72 -9.636 -25.451 14.601 533 HE ARG 72 HE ARG 72 -9.343 -25.384 17.558 534 HH11 ARG 72 HH11 ARG 72 -10.128 -27.196 14.646 535 HH12 ARG 72 HH12 ARG 72 -10.435 -28.665 15.515 536 HH21 ARG 72 HH21 ARG 72 -9.728 -27.312 18.663 537 HH22 ARG 72 HH22 ARG 72 -10.190 -28.738 17.788 538 H LEU 73 H LEU 73 -6.209 -22.512 12.114 539 HA LEU 73 HA LEU 73 -6.896 -19.875 11.365 540 HB2 LEU 73 HB2 LEU 73 -4.598 -21.093 11.995 541 HB3 LEU 73 HB3 LEU 73 -4.486 -21.355 10.276 542 HG LEU 73 HG LEU 73 -3.128 -19.473 10.847 543 HD11 LEU 73 HD11 LEU 73 -4.297 -19.260 8.736 544 HD12 LEU 73 HD12 LEU 73 -3.999 -17.692 9.472 545 HD13 LEU 73 HD13 LEU 73 -5.619 -18.401 9.527 546 HD21 LEU 73 HD21 LEU 73 -4.128 -18.897 12.984 547 HD22 LEU 73 HD22 LEU 73 -5.534 -18.202 12.171 548 HD23 LEU 73 HD23 LEU 73 -3.938 -17.469 11.971 549 H CYS 74 H CYS 74 -6.181 -22.807 9.469 550 HA CYS 74 HA CYS 74 -6.534 -21.857 6.863 551 HB2 CYS 74 HB2 CYS 74 -7.125 -24.664 7.889 552 HB3 CYS 74 HB3 CYS 74 -6.690 -24.218 6.235 553 HG CYS 74 HG CYS 74 -4.097 -23.290 7.091 554 H ARG 75 H ARG 75 -8.851 -23.210 9.165 555 HA ARG 75 HA ARG 75 -11.120 -23.376 7.487 556 HB2 ARG 75 HB2 ARG 75 -10.925 -24.588 9.651 557 HB3 ARG 75 HB3 ARG 75 -11.010 -23.057 10.515 558 HG2 ARG 75 HG2 ARG 75 -13.318 -22.708 9.612 559 HG3 ARG 75 HG3 ARG 75 -13.217 -24.281 8.817 560 HD2 ARG 75 HD2 ARG 75 -14.469 -24.501 10.884 561 HD3 ARG 75 HD3 ARG 75 -12.934 -25.356 11.045 562 HE ARG 75 HE ARG 75 -12.248 -23.074 12.162 563 HH11 ARG 75 HH11 ARG 75 -15.294 -24.791 12.578 564 HH12 ARG 75 HH12 ARG 75 -15.515 -24.229 14.203 565 HH21 ARG 75 HH21 ARG 75 -12.565 -22.349 14.284 566 HH22 ARG 75 HH22 ARG 75 -13.970 -22.850 15.173 567 H MET 76 H MET 76 -9.992 -20.841 9.739 568 HA MET 76 HA MET 76 -12.200 -19.098 9.525 569 HB2 MET 76 HB2 MET 76 -9.294 -18.506 10.225 570 HB3 MET 76 HB3 MET 76 -10.586 -17.321 10.353 571 HG2 MET 76 HG2 MET 76 -10.803 -19.923 11.847 572 HG3 MET 76 HG3 MET 76 -9.802 -18.622 12.467 573 HE1 MET 76 HE1 MET 76 -14.437 -18.450 12.198 574 HE2 MET 76 HE2 MET 76 -13.483 -19.908 11.925 575 HE3 MET 76 HE3 MET 76 -13.476 -18.611 10.728 576 H LEU 77 H LEU 77 -9.078 -19.113 7.827 577 HA LEU 77 HA LEU 77 -9.396 -16.915 6.139 578 HB2 LEU 77 HB2 LEU 77 -7.722 -19.401 6.141 579 HB3 LEU 77 HB3 LEU 77 -7.819 -18.547 4.613 580 HG LEU 77 HG LEU 77 -6.808 -16.574 5.513 581 HD11 LEU 77 HD11 LEU 77 -6.150 -16.340 7.887 582 HD12 LEU 77 HD12 LEU 77 -7.034 -17.822 8.258 583 HD13 LEU 77 HD13 LEU 77 -7.896 -16.405 7.657 584 HD21 LEU 77 HD21 LEU 77 -5.248 -18.376 4.916 585 HD22 LEU 77 HD22 LEU 77 -5.312 -19.000 6.567 586 HD23 LEU 77 HD23 LEU 77 -4.612 -17.411 6.250 587 H ASP 78 H ASP 78 -10.366 -20.285 5.577 588 HA ASP 78 HA ASP 78 -11.187 -19.879 2.866 589 HB2 ASP 78 HB2 ASP 78 -10.441 -22.079 3.849 590 HB3 ASP 78 HB3 ASP 78 -11.956 -22.155 4.739 591 H GLU 79 H GLU 79 -12.874 -19.976 5.983 592 HA GLU 79 HA GLU 79 -15.527 -19.665 5.079 593 HB2 GLU 79 HB2 GLU 79 -14.185 -18.955 7.698 594 HB3 GLU 79 HB3 GLU 79 -15.893 -18.620 7.412 595 HG2 GLU 79 HG2 GLU 79 -14.591 -21.359 7.306 596 HG3 GLU 79 HG3 GLU 79 -15.558 -20.716 8.624 597 H LYS 80 H LYS 80 -13.044 -17.279 5.903 598 HA LYS 80 HA LYS 80 -14.624 -14.955 5.554 599 HB2 LYS 80 HB2 LYS 80 -11.612 -15.393 5.476 600 HB3 LYS 80 HB3 LYS 80 -12.354 -13.799 5.348 601 HG2 LYS 80 HG2 LYS 80 -12.648 -15.684 7.706 602 HG3 LYS 80 HG3 LYS 80 -11.553 -14.305 7.629 603 HD2 LYS 80 HD2 LYS 80 -14.588 -14.136 7.451 604 HD3 LYS 80 HD3 LYS 80 -13.641 -13.838 8.911 605 HE2 LYS 80 HE2 LYS 80 -12.583 -11.897 7.899 606 HE3 LYS 80 HE3 LYS 80 -13.337 -12.246 6.340 607 HZ1 LYS 80 HZ1 LYS 80 -14.732 -11.476 8.835 608 HZ2 LYS 80 HZ2 LYS 80 -15.504 -11.898 7.388 609 HZ3 LYS 80 HZ3 LYS 80 -14.530 -10.517 7.457 610 H LEU 81 H LEU 81 -12.459 -16.769 3.384 611 HA LEU 81 HA LEU 81 -12.464 -15.091 1.157 612 HB2 LEU 81 HB2 LEU 81 -11.094 -17.253 1.680 613 HB3 LEU 81 HB3 LEU 81 -12.420 -18.127 0.964 614 HG LEU 81 HG LEU 81 -10.420 -17.769 -0.539 615 HD11 LEU 81 HD11 LEU 81 -12.987 -16.593 -1.610 616 HD12 LEU 81 HD12 LEU 81 -12.558 -18.303 -1.546 617 HD13 LEU 81 HD13 LEU 81 -11.635 -17.207 -2.569 618 HD21 LEU 81 HD21 LEU 81 -11.278 -14.861 -0.547 619 HD22 LEU 81 HD22 LEU 81 -10.015 -15.580 -1.551 620 HD23 LEU 81 HD23 LEU 81 -9.815 -15.508 0.199 621 H LYS 82 H LYS 82 -14.667 -17.687 2.089 622 HA LYS 82 HA LYS 82 -16.535 -17.606 0.003 623 HB2 LYS 82 HB2 LYS 82 -16.418 -19.408 1.690 624 HB3 LYS 82 HB3 LYS 82 -16.913 -18.284 2.949 625 HG2 LYS 82 HG2 LYS 82 -19.122 -18.032 1.804 626 HG3 LYS 82 HG3 LYS 82 -18.605 -19.226 0.610 627 HD2 LYS 82 HD2 LYS 82 -18.339 -20.897 2.470 628 HD3 LYS 82 HD3 LYS 82 -18.968 -19.691 3.596 629 HE2 LYS 82 HE2 LYS 82 -20.737 -21.250 2.972 630 HE3 LYS 82 HE3 LYS 82 -21.109 -19.657 2.316 631 HZ1 LYS 82 HZ1 LYS 82 -21.521 -21.409 0.713 632 HZ2 LYS 82 HZ2 LYS 82 -19.914 -21.917 0.802 633 HZ3 LYS 82 HZ3 LYS 82 -20.285 -20.396 0.166 634 H GLN 83 H GLN 83 -16.451 -15.769 3.113 635 HA GLN 83 HA GLN 83 -19.047 -14.600 2.880 636 HB2 GLN 83 HB2 GLN 83 -16.664 -13.698 4.550 637 HB3 GLN 83 HB3 GLN 83 -18.290 -13.038 4.703 638 HG2 GLN 83 HG2 GLN 83 -19.117 -15.243 5.393 639 HG3 GLN 83 HG3 GLN 83 -17.494 -15.907 5.231 640 HE21 GLN 83 HE21 GLN 83 -19.171 -15.826 7.598 641 HE22 GLN 83 HE22 GLN 83 -18.283 -14.956 8.797 642 H HIS 84 H HIS 84 -15.801 -13.493 2.041 643 HA HIS 84 HA HIS 84 -16.344 -10.791 1.503 644 HB2 HIS 84 HB2 HIS 84 -14.043 -11.706 1.861 645 HB3 HIS 84 HB3 HIS 84 -14.139 -12.517 0.302 646 HD1 HIS 84 HD1 HIS 84 -13.273 -9.316 1.882 647 HD2 HIS 84 HD2 HIS 84 -14.174 -10.627 -1.962 648 HE1 HIS 84 HE1 HIS 84 -12.520 -7.481 0.345 649 HE2 HIS 84 HE2 HIS 84 -12.986 -8.339 -1.978 650 H LEU 85 H LEU 85 -16.073 -13.607 -0.684 651 HA LEU 85 HA LEU 85 -16.619 -12.191 -3.087 652 HB2 LEU 85 HB2 LEU 85 -17.048 -15.150 -2.523 653 HB3 LEU 85 HB3 LEU 85 -16.957 -14.408 -4.119 654 HG LEU 85 HG LEU 85 -14.703 -14.708 -2.099 655 HD11 LEU 85 HD11 LEU 85 -15.198 -16.732 -3.350 656 HD12 LEU 85 HD12 LEU 85 -13.632 -16.073 -3.812 657 HD13 LEU 85 HD13 LEU 85 -15.025 -15.862 -4.878 658 HD21 LEU 85 HD21 LEU 85 -14.466 -12.514 -3.135 659 HD22 LEU 85 HD22 LEU 85 -14.594 -13.225 -4.746 660 HD23 LEU 85 HD23 LEU 85 -13.212 -13.608 -3.714 661 H ALA 86 H ALA 86 -18.668 -13.680 -0.681 662 HA ALA 86 HA ALA 86 -21.116 -13.667 -2.193 663 HB1 ALA 86 HB1 ALA 86 -20.662 -13.971 0.792 664 HB2 ALA 86 HB2 ALA 86 -20.707 -15.280 -0.389 665 HB3 ALA 86 HB3 ALA 86 -22.162 -14.336 -0.073 666 H SER 87 H SER 87 -19.537 -11.416 0.026 667 HA SER 87 HA SER 87 -21.962 -9.714 0.224 668 HB2 SER 87 HB2 SER 87 -19.410 -9.635 1.901 669 HB3 SER 87 HB3 SER 87 -20.902 -8.743 2.206 670 HG SER 87 HG SER 87 -20.557 -11.553 2.250 671 H GLY 88 H GLY 88 -19.020 -9.854 -1.467 672 HA2 GLY 88 HA2 GLY 88 -18.162 -8.312 -3.002 673 HA3 GLY 88 HA3 GLY 88 -19.140 -7.037 -2.286 674 H GLY 89 H GLY 89 -18.484 -6.808 0.239 675 HA2 GLY 89 HA2 GLY 89 -15.582 -6.225 0.308 676 HA3 GLY 89 HA3 GLY 89 -16.826 -5.447 1.275 677 H ASP 90 H ASP 90 -15.643 -5.845 3.170 678 HA ASP 90 HA ASP 90 -15.149 -6.832 5.130 679 HB2 ASP 90 HB2 ASP 90 -17.425 -7.684 5.160 680 HB3 ASP 90 HB3 ASP 90 -16.989 -9.020 4.105 Start of MODEL 2 1 H ARG 11 H ARG 11 9.542 -6.672 -15.940 2 HA ARG 11 HA ARG 11 9.723 -4.178 -17.519 3 HB2 ARG 11 HB2 ARG 11 9.267 -6.399 -18.753 4 HB3 ARG 11 HB3 ARG 11 7.755 -6.489 -17.868 5 HG2 ARG 11 HG2 ARG 11 8.469 -4.174 -19.707 6 HG3 ARG 11 HG3 ARG 11 7.650 -5.629 -20.267 7 HD2 ARG 11 HD2 ARG 11 5.797 -5.134 -18.637 8 HD3 ARG 11 HD3 ARG 11 6.604 -3.609 -18.250 9 HE ARG 11 HE ARG 11 6.213 -3.827 -21.056 10 HH11 ARG 11 HH11 ARG 11 4.428 -3.060 -18.126 11 HH12 ARG 11 HH12 ARG 11 3.148 -2.266 -18.977 12 HH21 ARG 11 HH21 ARG 11 4.540 -2.798 -22.141 13 HH22 ARG 11 HH22 ARG 11 3.218 -2.113 -21.259 14 HA PRO 12 HA PRO 12 7.024 -2.949 -14.020 15 HB2 PRO 12 HB2 PRO 12 6.884 -0.281 -15.333 16 HB3 PRO 12 HB3 PRO 12 7.566 -0.721 -13.763 17 HG2 PRO 12 HG2 PRO 12 9.139 -0.005 -15.852 18 HG3 PRO 12 HG3 PRO 12 9.660 -1.203 -14.648 19 HD2 PRO 12 HD2 PRO 12 8.523 -1.670 -17.415 20 HD3 PRO 12 HD3 PRO 12 9.926 -2.436 -16.627 21 H LEU 13 H LEU 13 4.921 -3.509 -14.008 22 HA LEU 13 HA LEU 13 3.019 -2.352 -15.874 23 HB2 LEU 13 HB2 LEU 13 2.023 -4.681 -16.368 24 HB3 LEU 13 HB3 LEU 13 3.467 -4.204 -17.228 25 HG LEU 13 HG LEU 13 4.814 -5.648 -15.628 26 HD11 LEU 13 HD11 LEU 13 2.118 -6.739 -14.774 27 HD12 LEU 13 HD12 LEU 13 3.246 -5.836 -13.758 28 HD13 LEU 13 HD13 LEU 13 3.696 -7.423 -14.373 29 HD21 LEU 13 HD21 LEU 13 4.269 -6.396 -17.898 30 HD22 LEU 13 HD22 LEU 13 2.744 -7.081 -17.325 31 HD23 LEU 13 HD23 LEU 13 4.280 -7.752 -16.770 32 HA PRO 14 HA PRO 14 0.452 -2.502 -12.181 33 HB2 PRO 14 HB2 PRO 14 -2.073 -2.363 -13.238 34 HB3 PRO 14 HB3 PRO 14 -0.966 -0.983 -13.209 35 HG2 PRO 14 HG2 PRO 14 -1.598 -2.864 -15.473 36 HG3 PRO 14 HG3 PRO 14 -1.415 -1.098 -15.504 37 HD2 PRO 14 HD2 PRO 14 0.565 -2.816 -16.296 38 HD3 PRO 14 HD3 PRO 14 0.903 -1.217 -15.597 39 H VAL 15 H VAL 15 1.002 -4.559 -11.457 40 HA VAL 15 HA VAL 15 -0.491 -6.920 -12.306 41 HB VAL 15 HB VAL 15 1.971 -7.040 -11.859 42 HG11 VAL 15 HG11 VAL 15 1.254 -6.561 -8.943 43 HG12 VAL 15 HG12 VAL 15 2.149 -5.460 -9.990 44 HG13 VAL 15 HG13 VAL 15 2.850 -7.017 -9.548 45 HG21 VAL 15 HG21 VAL 15 1.965 -9.143 -10.570 46 HG22 VAL 15 HG22 VAL 15 0.640 -9.099 -11.734 47 HG23 VAL 15 HG23 VAL 15 0.319 -8.813 -10.022 48 H CYS 16 H CYS 16 -0.686 -4.453 -9.936 49 HA CYS 16 HA CYS 16 -1.890 -3.994 -8.096 50 HB2 CYS 16 HB2 CYS 16 -3.878 -4.467 -9.427 51 HB3 CYS 16 HB3 CYS 16 -3.712 -6.196 -9.145 52 HG CYS 16 HG CYS 16 -4.227 -5.951 -6.362 53 HA PRO 17 HA PRO 17 0.082 -7.454 -5.704 54 HB2 PRO 17 HB2 PRO 17 1.810 -5.555 -4.341 55 HB3 PRO 17 HB3 PRO 17 2.254 -6.730 -5.579 56 HG2 PRO 17 HG2 PRO 17 2.309 -3.980 -5.946 57 HG3 PRO 17 HG3 PRO 17 2.201 -5.167 -7.261 58 HD2 PRO 17 HD2 PRO 17 -0.006 -3.570 -5.956 59 HD3 PRO 17 HD3 PRO 17 0.256 -3.935 -7.679 60 H ASN 18 H ASN 18 -2.266 -7.119 -4.938 61 HA ASN 18 HA ASN 18 -2.315 -6.284 -2.100 62 HB2 ASN 18 HB2 ASN 18 -4.466 -5.799 -4.215 63 HB3 ASN 18 HB3 ASN 18 -4.762 -5.636 -2.490 64 HD21 ASN 18 HD21 ASN 18 -3.963 -3.846 -1.399 65 HD22 ASN 18 HD22 ASN 18 -3.294 -2.474 -2.210 66 HA PRO 19 HA PRO 19 -3.672 -10.716 -2.527 67 HB2 PRO 19 HB2 PRO 19 -1.827 -11.413 -0.366 68 HB3 PRO 19 HB3 PRO 19 -1.787 -11.923 -2.052 69 HG2 PRO 19 HG2 PRO 19 0.090 -10.251 -0.955 70 HG3 PRO 19 HG3 PRO 19 -0.348 -10.221 -2.678 71 HD2 PRO 19 HD2 PRO 19 -1.308 -8.417 -0.445 72 HD3 PRO 19 HD3 PRO 19 -0.770 -7.990 -2.089 73 H LEU 20 H LEU 20 -5.440 -11.413 -1.448 74 HA LEU 20 HA LEU 20 -6.619 -9.691 0.487 75 HB2 LEU 20 HB2 LEU 20 -7.826 -10.927 -1.351 76 HB3 LEU 20 HB3 LEU 20 -7.603 -12.410 -0.454 77 HG LEU 20 HG LEU 20 -9.024 -11.522 1.379 78 HD11 LEU 20 HD11 LEU 20 -10.298 -9.435 1.096 79 HD12 LEU 20 HD12 LEU 20 -9.393 -9.072 -0.375 80 HD13 LEU 20 HD13 LEU 20 -8.564 -9.134 1.184 81 HD21 LEU 20 HD21 LEU 20 -10.366 -11.341 -1.342 82 HD22 LEU 20 HD22 LEU 20 -11.181 -11.597 0.203 83 HD23 LEU 20 HD23 LEU 20 -10.083 -12.824 -0.424 84 H PHE 21 H PHE 21 -5.306 -12.966 0.652 85 HA PHE 21 HA PHE 21 -5.959 -13.495 3.375 86 HB2 PHE 21 HB2 PHE 21 -4.176 -14.789 1.306 87 HB3 PHE 21 HB3 PHE 21 -3.971 -15.253 2.991 88 HD1 PHE 21 HD1 PHE 21 -7.327 -14.376 1.666 89 HD2 PHE 21 HD2 PHE 21 -4.601 -17.553 2.560 90 HE1 PHE 21 HE1 PHE 21 -9.152 -15.998 1.512 91 HE2 PHE 21 HE2 PHE 21 -6.449 -19.163 2.404 92 HZ PHE 21 HZ PHE 21 -8.724 -18.393 1.884 93 H VAL 22 H VAL 22 -3.162 -12.016 1.808 94 HA VAL 22 HA VAL 22 -1.410 -12.097 4.063 95 HB VAL 22 HB VAL 22 -1.346 -10.353 1.561 96 HG11 VAL 22 HG11 VAL 22 0.818 -10.624 3.695 97 HG12 VAL 22 HG12 VAL 22 -0.127 -9.171 3.362 98 HG13 VAL 22 HG13 VAL 22 0.999 -9.782 2.153 99 HG21 VAL 22 HG21 VAL 22 0.473 -11.893 0.865 100 HG22 VAL 22 HG22 VAL 22 -1.033 -12.766 1.152 101 HG23 VAL 22 HG23 VAL 22 0.258 -12.817 2.357 102 H ARG 23 H ARG 23 -3.392 -9.416 2.668 103 HA ARG 23 HA ARG 23 -2.854 -7.520 4.677 104 HB2 ARG 23 HB2 ARG 23 -4.968 -6.362 4.005 105 HB3 ARG 23 HB3 ARG 23 -3.911 -6.736 2.651 106 HG2 ARG 23 HG2 ARG 23 -5.354 -8.337 1.766 107 HG3 ARG 23 HG3 ARG 23 -6.130 -8.658 3.315 108 HD2 ARG 23 HD2 ARG 23 -6.480 -6.048 1.798 109 HD3 ARG 23 HD3 ARG 23 -7.563 -7.438 1.626 110 HE ARG 23 HE ARG 23 -7.092 -6.283 4.307 111 HH11 ARG 23 HH11 ARG 23 -9.335 -6.941 1.691 112 HH12 ARG 23 HH12 ARG 23 -10.719 -6.505 2.626 113 HH21 ARG 23 HH21 ARG 23 -8.914 -5.765 5.531 114 HH22 ARG 23 HH22 ARG 23 -10.489 -5.821 4.803 115 H TRP 24 H TRP 24 -5.358 -10.056 4.528 116 HA TRP 24 HA TRP 24 -6.790 -9.279 6.835 117 HB2 TRP 24 HB2 TRP 24 -6.672 -11.839 5.228 118 HB3 TRP 24 HB3 TRP 24 -7.480 -11.856 6.786 119 HD1 TRP 24 HD1 TRP 24 -8.468 -8.621 5.987 120 HE1 TRP 24 HE1 TRP 24 -10.669 -8.513 4.687 121 HE3 TRP 24 HE3 TRP 24 -8.675 -13.432 4.251 122 HZ2 TRP 24 HZ2 TRP 24 -12.305 -10.200 3.159 123 HZ3 TRP 24 HZ3 TRP 24 -10.601 -14.111 2.896 124 HH2 TRP 24 HH2 TRP 24 -12.382 -12.529 2.348 125 H LEU 25 H LEU 25 -4.166 -11.715 6.486 126 HA LEU 25 HA LEU 25 -4.086 -12.406 9.246 127 HB2 LEU 25 HB2 LEU 25 -1.947 -12.668 7.104 128 HB3 LEU 25 HB3 LEU 25 -1.810 -13.365 8.714 129 HG LEU 25 HG LEU 25 -3.931 -14.101 6.650 130 HD11 LEU 25 HD11 LEU 25 -1.724 -14.925 5.998 131 HD12 LEU 25 HD12 LEU 25 -2.784 -16.249 6.465 132 HD13 LEU 25 HD13 LEU 25 -1.524 -15.700 7.575 133 HD21 LEU 25 HD21 LEU 25 -3.417 -15.295 9.398 134 HD22 LEU 25 HD22 LEU 25 -4.575 -15.895 8.206 135 HD23 LEU 25 HD23 LEU 25 -4.806 -14.307 8.928 136 H THR 26 H THR 26 -2.642 -9.789 7.427 137 HA THR 26 HA THR 26 -0.714 -8.914 9.348 138 HB THR 26 HB THR 26 -2.092 -7.446 7.055 139 HG1 THR 26 HG1 THR 26 -0.552 -9.265 6.681 140 HG21 THR 26 HG21 THR 26 -0.288 -5.748 7.221 141 HG22 THR 26 HG22 THR 26 0.285 -6.512 8.704 142 HG23 THR 26 HG23 THR 26 -1.312 -5.759 8.661 143 H GLU 27 H GLU 27 -4.045 -7.830 8.555 144 HA GLU 27 HA GLU 27 -4.019 -5.711 10.492 145 HB2 GLU 27 HB2 GLU 27 -6.367 -5.314 9.845 146 HB3 GLU 27 HB3 GLU 27 -5.309 -5.429 8.445 147 HG2 GLU 27 HG2 GLU 27 -6.099 -7.858 8.231 148 HG3 GLU 27 HG3 GLU 27 -7.333 -7.457 9.426 149 H TRP 28 H TRP 28 -5.471 -8.971 10.381 150 HA TRP 28 HA TRP 28 -6.919 -8.791 12.814 151 HB2 TRP 28 HB2 TRP 28 -5.852 -11.264 11.395 152 HB3 TRP 28 HB3 TRP 28 -6.982 -11.297 12.741 153 HD1 TRP 28 HD1 TRP 28 -8.656 -8.683 11.250 154 HE1 TRP 28 HE1 TRP 28 -10.329 -9.383 9.432 155 HE3 TRP 28 HE3 TRP 28 -6.890 -13.383 10.265 156 HZ2 TRP 28 HZ2 TRP 28 -10.859 -11.616 7.811 157 HZ3 TRP 28 HZ3 TRP 28 -8.042 -14.741 8.570 158 HH2 TRP 28 HH2 TRP 28 -9.988 -13.879 7.364 159 H ARG 29 H ARG 29 -3.601 -9.812 12.052 160 HA ARG 29 HA ARG 29 -2.708 -10.580 14.614 161 HB2 ARG 29 HB2 ARG 29 -1.418 -10.899 12.535 162 HB3 ARG 29 HB3 ARG 29 -1.251 -9.158 12.351 163 HG2 ARG 29 HG2 ARG 29 0.054 -9.219 14.580 164 HG3 ARG 29 HG3 ARG 29 0.105 -10.977 14.362 165 HD2 ARG 29 HD2 ARG 29 2.149 -9.888 13.471 166 HD3 ARG 29 HD3 ARG 29 1.237 -10.684 12.188 167 HE ARG 29 HE ARG 29 0.828 -8.651 11.219 168 HH11 ARG 29 HH11 ARG 29 2.106 -8.026 14.441 169 HH12 ARG 29 HH12 ARG 29 2.235 -6.316 14.178 170 HH21 ARG 29 HH21 ARG 29 0.992 -6.407 10.910 171 HH22 ARG 29 HH22 ARG 29 1.603 -5.402 12.183 172 H ASP 30 H ASP 30 -2.913 -7.419 13.057 173 HA ASP 30 HA ASP 30 -1.612 -5.910 15.131 174 HB2 ASP 30 HB2 ASP 30 -1.573 -5.313 12.688 175 HB3 ASP 30 HB3 ASP 30 -3.291 -4.945 12.778 176 H GLU 31 H GLU 31 -4.925 -6.720 14.360 177 HA GLU 31 HA GLU 31 -6.215 -4.910 16.193 178 HB2 GLU 31 HB2 GLU 31 -7.224 -7.375 14.707 179 HB3 GLU 31 HB3 GLU 31 -8.252 -6.356 15.713 180 HG2 GLU 31 HG2 GLU 31 -6.759 -5.378 13.252 181 HG3 GLU 31 HG3 GLU 31 -8.420 -5.955 13.230 182 H ALA 32 H ALA 32 -5.145 -8.270 16.168 183 HA ALA 32 HA ALA 32 -6.074 -8.940 18.805 184 HB1 ALA 32 HB1 ALA 32 -4.775 -11.010 18.506 185 HB2 ALA 32 HB2 ALA 32 -4.035 -10.340 17.047 186 HB3 ALA 32 HB3 ALA 32 -5.767 -10.668 17.086 187 H ALA 33 H ALA 33 -3.218 -7.422 17.500 188 HA ALA 33 HA ALA 33 -1.601 -7.546 19.868 189 HB1 ALA 33 HB1 ALA 33 -1.546 -5.512 17.612 190 HB2 ALA 33 HB2 ALA 33 -0.630 -7.019 17.660 191 HB3 ALA 33 HB3 ALA 33 -0.288 -5.745 18.832 192 H SER 34 H SER 34 -3.923 -5.244 18.516 193 HA SER 34 HA SER 34 -3.697 -3.235 20.526 194 HB2 SER 34 HB2 SER 34 -4.518 -2.888 18.161 195 HB3 SER 34 HB3 SER 34 -6.005 -3.728 18.592 196 HG SER 34 HG SER 34 -5.157 -1.178 19.208 197 H ARG 35 H ARG 35 -5.735 -6.095 20.133 198 HA ARG 35 HA ARG 35 -7.384 -5.469 22.485 199 HB2 ARG 35 HB2 ARG 35 -7.933 -6.828 20.058 200 HB3 ARG 35 HB3 ARG 35 -7.900 -8.110 21.252 201 HG2 ARG 35 HG2 ARG 35 -9.693 -5.653 21.276 202 HG3 ARG 35 HG3 ARG 35 -10.178 -7.309 20.909 203 HD2 ARG 35 HD2 ARG 35 -9.615 -7.958 23.244 204 HD3 ARG 35 HD3 ARG 35 -9.184 -6.280 23.593 205 HE ARG 35 HE ARG 35 -11.909 -7.029 22.713 206 HH11 ARG 35 HH11 ARG 35 -9.850 -5.421 25.088 207 HH12 ARG 35 HH12 ARG 35 -11.190 -4.876 26.041 208 HH21 ARG 35 HH21 ARG 35 -13.635 -6.293 23.971 209 HH22 ARG 35 HH22 ARG 35 -13.337 -5.363 25.404 210 H GLY 36 H GLY 36 -4.420 -6.910 21.931 211 HA2 GLY 36 HA2 GLY 36 -2.972 -8.061 23.294 212 HA3 GLY 36 HA3 GLY 36 -4.116 -7.815 24.600 213 H ARG 37 H ARG 37 -4.985 -9.515 21.683 214 HA ARG 37 HA ARG 37 -5.764 -11.890 23.085 215 HB2 ARG 37 HB2 ARG 37 -5.722 -11.320 20.094 216 HB3 ARG 37 HB3 ARG 37 -6.528 -12.681 20.866 217 HG2 ARG 37 HG2 ARG 37 -7.250 -9.748 21.193 218 HG3 ARG 37 HG3 ARG 37 -8.135 -10.945 20.239 219 HD2 ARG 37 HD2 ARG 37 -7.745 -11.010 23.257 220 HD3 ARG 37 HD3 ARG 37 -9.223 -10.527 22.422 221 HE ARG 37 HE ARG 37 -8.629 -13.085 21.529 222 HH11 ARG 37 HH11 ARG 37 -9.406 -11.621 24.628 223 HH12 ARG 37 HH12 ARG 37 -10.123 -13.061 25.268 224 HH21 ARG 37 HH21 ARG 37 -9.571 -14.970 22.383 225 HH22 ARG 37 HH22 ARG 37 -10.208 -14.965 23.993 226 H HIS 38 H HIS 38 -5.001 -13.986 22.773 227 HA HIS 38 HA HIS 38 -2.184 -14.361 22.423 228 HB2 HIS 38 HB2 HIS 38 -4.376 -16.477 22.573 229 HB3 HIS 38 HB3 HIS 38 -2.652 -16.761 22.796 230 HD1 HIS 38 HD1 HIS 38 -5.330 -16.952 24.819 231 HD2 HIS 38 HD2 HIS 38 -1.967 -14.522 25.058 232 HE1 HIS 38 HE1 HIS 38 -5.159 -16.283 27.232 233 HE2 HIS 38 HE2 HIS 38 -3.192 -14.720 27.331 234 H THR 39 H THR 39 -4.874 -14.376 20.270 235 HA THR 39 HA THR 39 -3.883 -16.164 18.279 236 HB THR 39 HB THR 39 -5.629 -15.071 16.785 237 HG1 THR 39 HG1 THR 39 -6.479 -13.259 17.453 238 HG21 THR 39 HG21 THR 39 -7.567 -16.004 17.986 239 HG22 THR 39 HG22 THR 39 -6.620 -16.099 19.472 240 HG23 THR 39 HG23 THR 39 -6.185 -17.096 18.080 241 H ARG 40 H ARG 40 -2.975 -12.931 19.070 242 HA ARG 40 HA ARG 40 -2.189 -11.842 16.619 243 HB2 ARG 40 HB2 ARG 40 -1.985 -10.588 18.739 244 HB3 ARG 40 HB3 ARG 40 -0.723 -11.691 19.289 245 HG2 ARG 40 HG2 ARG 40 0.657 -10.929 17.274 246 HG3 ARG 40 HG3 ARG 40 -0.560 -9.676 17.019 247 HD2 ARG 40 HD2 ARG 40 1.326 -8.766 18.232 248 HD3 ARG 40 HD3 ARG 40 -0.080 -8.798 19.293 249 HE ARG 40 HE ARG 40 0.869 -10.712 20.412 250 HH11 ARG 40 HH11 ARG 40 3.105 -9.014 18.295 251 HH12 ARG 40 HH12 ARG 40 4.515 -9.630 19.094 252 HH21 ARG 40 HH21 ARG 40 2.719 -11.470 21.470 253 HH22 ARG 40 HH22 ARG 40 4.289 -11.021 20.895 254 H PHE 41 H PHE 41 -0.590 -14.223 18.666 255 HA PHE 41 HA PHE 41 1.877 -14.475 17.317 256 HB2 PHE 41 HB2 PHE 41 0.364 -16.462 19.069 257 HB3 PHE 41 HB3 PHE 41 2.019 -16.701 18.523 258 HD1 PHE 41 HD1 PHE 41 -0.147 -14.518 20.644 259 HD2 PHE 41 HD2 PHE 41 3.851 -15.684 19.674 260 HE1 PHE 41 HE1 PHE 41 0.688 -13.336 22.632 261 HE2 PHE 41 HE2 PHE 41 4.676 -14.496 21.663 262 HZ PHE 41 HZ PHE 41 3.098 -13.322 23.141 263 H VAL 42 H VAL 42 -1.225 -16.257 16.968 264 HA VAL 42 HA VAL 42 -0.122 -18.148 15.104 265 HB VAL 42 HB VAL 42 -2.039 -18.713 16.656 266 HG11 VAL 42 HG11 VAL 42 -4.352 -18.223 15.988 267 HG12 VAL 42 HG12 VAL 42 -3.756 -17.181 14.694 268 HG13 VAL 42 HG13 VAL 42 -3.459 -16.750 16.374 269 HG21 VAL 42 HG21 VAL 42 -3.160 -20.225 15.054 270 HG22 VAL 42 HG22 VAL 42 -1.415 -20.187 14.793 271 HG23 VAL 42 HG23 VAL 42 -2.485 -19.296 13.709 272 H PHE 43 H PHE 43 -1.920 -15.115 14.790 273 HA PHE 43 HA PHE 43 -2.293 -15.222 11.943 274 HB2 PHE 43 HB2 PHE 43 -2.240 -12.858 13.874 275 HB3 PHE 43 HB3 PHE 43 -2.585 -12.689 12.159 276 HD1 PHE 43 HD1 PHE 43 -4.466 -14.697 11.462 277 HD2 PHE 43 HD2 PHE 43 -4.182 -12.552 15.144 278 HE1 PHE 43 HE1 PHE 43 -6.863 -15.057 11.863 279 HE2 PHE 43 HE2 PHE 43 -6.582 -12.929 15.544 280 HZ PHE 43 HZ PHE 43 -7.922 -14.185 13.903 281 H GLN 44 H GLN 44 0.337 -14.213 14.074 282 HA GLN 44 HA GLN 44 1.884 -12.703 12.210 283 HB2 GLN 44 HB2 GLN 44 2.169 -12.525 14.681 284 HB3 GLN 44 HB3 GLN 44 2.787 -14.173 14.727 285 HG2 GLN 44 HG2 GLN 44 4.647 -13.347 13.136 286 HG3 GLN 44 HG3 GLN 44 4.095 -11.716 13.524 287 HE21 GLN 44 HE21 GLN 44 5.703 -14.575 14.707 288 HE22 GLN 44 HE22 GLN 44 6.328 -13.879 16.161 289 H LYS 45 H LYS 45 2.224 -16.004 13.493 290 HA LYS 45 HA LYS 45 4.441 -16.718 11.851 291 HB2 LYS 45 HB2 LYS 45 4.183 -18.967 12.777 292 HB3 LYS 45 HB3 LYS 45 4.007 -17.764 14.050 293 HG2 LYS 45 HG2 LYS 45 1.514 -18.028 13.874 294 HG3 LYS 45 HG3 LYS 45 1.776 -19.314 12.699 295 HD2 LYS 45 HD2 LYS 45 1.347 -20.324 14.855 296 HD3 LYS 45 HD3 LYS 45 3.043 -20.597 14.448 297 HE2 LYS 45 HE2 LYS 45 3.715 -18.769 15.950 298 HE3 LYS 45 HE3 LYS 45 2.025 -18.411 16.306 299 HZ1 LYS 45 HZ1 LYS 45 3.100 -19.716 18.035 300 HZ2 LYS 45 HZ2 LYS 45 3.387 -20.967 16.932 301 HZ3 LYS 45 HZ3 LYS 45 1.803 -20.545 17.339 302 H ALA 46 H ALA 46 0.947 -17.089 11.505 303 HA ALA 46 HA ALA 46 0.901 -18.788 9.223 304 HB1 ALA 46 HB1 ALA 46 -1.409 -17.970 8.904 305 HB2 ALA 46 HB2 ALA 46 -1.125 -16.682 10.081 306 HB3 ALA 46 HB3 ALA 46 -1.107 -18.369 10.595 307 H LEU 47 H LEU 47 0.905 -15.253 9.609 308 HA LEU 47 HA LEU 47 0.653 -14.491 6.916 309 HB2 LEU 47 HB2 LEU 47 0.300 -12.929 8.766 310 HB3 LEU 47 HB3 LEU 47 1.978 -13.075 9.257 311 HG LEU 47 HG LEU 47 2.691 -11.948 7.150 312 HD11 LEU 47 HD11 LEU 47 -0.270 -11.587 6.602 313 HD12 LEU 47 HD12 LEU 47 0.853 -12.589 5.675 314 HD13 LEU 47 HD13 LEU 47 1.055 -10.840 5.703 315 HD21 LEU 47 HD21 LEU 47 0.668 -10.359 8.765 316 HD22 LEU 47 HD22 LEU 47 1.939 -9.684 7.742 317 HD23 LEU 47 HD23 LEU 47 2.368 -10.607 9.178 318 H ARG 48 H ARG 48 3.587 -14.789 8.926 319 HA ARG 48 HA ARG 48 5.433 -14.113 6.868 320 HB2 ARG 48 HB2 ARG 48 5.848 -13.855 9.341 321 HB3 ARG 48 HB3 ARG 48 6.000 -15.605 9.464 322 HG2 ARG 48 HG2 ARG 48 7.966 -15.567 7.984 323 HG3 ARG 48 HG3 ARG 48 7.790 -13.822 7.767 324 HD2 ARG 48 HD2 ARG 48 8.216 -13.503 10.204 325 HD3 ARG 48 HD3 ARG 48 8.433 -15.253 10.377 326 HE ARG 48 HE ARG 48 10.162 -13.586 8.626 327 HH11 ARG 48 HH11 ARG 48 9.875 -16.041 11.140 328 HH12 ARG 48 HH12 ARG 48 11.580 -16.361 11.182 329 HH21 ARG 48 HH21 ARG 48 12.387 -14.034 8.694 330 HH22 ARG 48 HH22 ARG 48 12.995 -15.232 9.791 331 H SER 49 H SER 49 4.068 -17.163 7.979 332 HA SER 49 HA SER 49 5.773 -18.926 6.520 333 HB2 SER 49 HB2 SER 49 4.280 -19.659 8.401 334 HB3 SER 49 HB3 SER 49 2.880 -19.402 7.364 335 HG SER 49 HG SER 49 3.963 -20.959 5.906 336 H LEU 50 H LEU 50 2.768 -17.204 5.735 337 HA LEU 50 HA LEU 50 2.264 -18.415 3.198 338 HB2 LEU 50 HB2 LEU 50 0.664 -17.057 4.744 339 HB3 LEU 50 HB3 LEU 50 1.366 -15.624 4.024 340 HG LEU 50 HG LEU 50 -0.039 -17.770 2.369 341 HD11 LEU 50 HD11 LEU 50 -1.640 -16.916 4.016 342 HD12 LEU 50 HD12 LEU 50 -2.059 -16.382 2.390 343 HD13 LEU 50 HD13 LEU 50 -1.296 -15.255 3.518 344 HD21 LEU 50 HD21 LEU 50 0.581 -14.868 1.709 345 HD22 LEU 50 HD22 LEU 50 -0.303 -16.001 0.680 346 HD23 LEU 50 HD23 LEU 50 1.396 -16.285 1.043 347 H GLN 51 H GLN 51 4.050 -15.564 4.281 348 HA GLN 51 HA GLN 51 4.670 -14.381 1.800 349 HB2 GLN 51 HB2 GLN 51 6.249 -14.303 4.412 350 HB3 GLN 51 HB3 GLN 51 6.547 -13.247 3.033 351 HG2 GLN 51 HG2 GLN 51 4.025 -13.323 4.721 352 HG3 GLN 51 HG3 GLN 51 5.283 -12.092 4.778 353 HE21 GLN 51 HE21 GLN 51 2.590 -13.356 2.960 354 HE22 GLN 51 HE22 GLN 51 2.414 -12.010 1.892 355 H ARG 52 H ARG 52 6.386 -16.864 3.703 356 HA ARG 52 HA ARG 52 8.629 -16.999 1.859 357 HB2 ARG 52 HB2 ARG 52 9.644 -18.522 3.385 358 HB3 ARG 52 HB3 ARG 52 8.795 -17.362 4.399 359 HG2 ARG 52 HG2 ARG 52 6.959 -18.993 4.725 360 HG3 ARG 52 HG3 ARG 52 7.804 -20.145 3.692 361 HD2 ARG 52 HD2 ARG 52 9.744 -19.987 5.357 362 HD3 ARG 52 HD3 ARG 52 8.612 -19.158 6.438 363 HE ARG 52 HE ARG 52 7.517 -21.610 5.449 364 HH11 ARG 52 HH11 ARG 52 9.591 -20.321 7.957 365 HH12 ARG 52 HH12 ARG 52 9.583 -21.783 8.882 366 HH21 ARG 52 HH21 ARG 52 7.534 -23.539 6.656 367 HH22 ARG 52 HH22 ARG 52 8.434 -23.608 8.136 368 H TYR 53 H TYR 53 5.544 -18.532 2.126 369 HA TYR 53 HA TYR 53 6.228 -21.149 1.165 370 HB2 TYR 53 HB2 TYR 53 4.204 -20.401 2.626 371 HB3 TYR 53 HB3 TYR 53 3.435 -19.926 1.119 372 HD1 TYR 53 HD1 TYR 53 5.355 -22.925 2.374 373 HD2 TYR 53 HD2 TYR 53 1.841 -21.510 0.405 374 HE1 TYR 53 HE1 TYR 53 4.554 -25.237 2.140 375 HE2 TYR 53 HE2 TYR 53 1.042 -23.819 0.184 376 HH TYR 53 HH TYR 53 1.966 -26.088 0.109 377 HA PRO 54 HA PRO 54 6.527 -19.929 -3.173 378 HB2 PRO 54 HB2 PRO 54 6.831 -22.374 -4.338 379 HB3 PRO 54 HB3 PRO 54 8.092 -21.654 -3.327 380 HG2 PRO 54 HG2 PRO 54 6.010 -23.708 -2.577 381 HG3 PRO 54 HG3 PRO 54 7.754 -23.716 -2.235 382 HD2 PRO 54 HD2 PRO 54 5.915 -22.923 -0.388 383 HD3 PRO 54 HD3 PRO 54 7.543 -22.214 -0.462 384 H LEU 55 H LEU 55 3.924 -21.866 -1.963 385 HA LEU 55 HA LEU 55 2.373 -21.805 -4.456 386 HB2 LEU 55 HB2 LEU 55 2.411 -23.846 -2.958 387 HB3 LEU 55 HB3 LEU 55 1.624 -22.894 -1.717 388 HG LEU 55 HG LEU 55 -0.302 -22.547 -3.396 389 HD11 LEU 55 HD11 LEU 55 -0.549 -24.227 -5.168 390 HD12 LEU 55 HD12 LEU 55 1.064 -24.853 -4.819 391 HD13 LEU 55 HD13 LEU 55 0.866 -23.211 -5.438 392 HD21 LEU 55 HD21 LEU 55 0.191 -25.354 -2.357 393 HD22 LEU 55 HD22 LEU 55 -1.370 -24.683 -2.836 394 HD23 LEU 55 HD23 LEU 55 -0.515 -24.018 -1.447 395 HA PRO 56 HA PRO 56 0.316 -18.056 -2.871 396 HB2 PRO 56 HB2 PRO 56 -1.363 -17.576 -4.954 397 HB3 PRO 56 HB3 PRO 56 0.376 -17.285 -5.072 398 HG2 PRO 56 HG2 PRO 56 -1.249 -19.541 -6.179 399 HG3 PRO 56 HG3 PRO 56 0.188 -18.754 -6.857 400 HD2 PRO 56 HD2 PRO 56 0.155 -21.204 -5.453 401 HD3 PRO 56 HD3 PRO 56 1.596 -20.236 -5.800 402 H LEU 57 H LEU 57 -0.798 -18.778 -1.109 403 HA LEU 57 HA LEU 57 -2.837 -20.757 -1.116 404 HB2 LEU 57 HB2 LEU 57 -2.103 -18.724 1.023 405 HB3 LEU 57 HB3 LEU 57 -3.168 -20.106 1.275 406 HG LEU 57 HG LEU 57 -0.211 -20.244 0.540 407 HD11 LEU 57 HD11 LEU 57 -0.520 -19.537 2.845 408 HD12 LEU 57 HD12 LEU 57 0.130 -21.172 2.775 409 HD13 LEU 57 HD13 LEU 57 -1.576 -20.918 3.159 410 HD21 LEU 57 HD21 LEU 57 -0.410 -22.678 0.891 411 HD22 LEU 57 HD22 LEU 57 -1.387 -22.119 -0.460 412 HD23 LEU 57 HD23 LEU 57 -2.158 -22.510 1.080 413 H ARG 58 H ARG 58 -4.435 -20.265 -2.475 414 HA ARG 58 HA ARG 58 -5.839 -17.762 -2.609 415 HB2 ARG 58 HB2 ARG 58 -5.526 -19.181 -4.598 416 HB3 ARG 58 HB3 ARG 58 -6.394 -20.504 -3.829 417 HG2 ARG 58 HG2 ARG 58 -8.488 -19.264 -3.944 418 HG3 ARG 58 HG3 ARG 58 -7.647 -17.837 -4.567 419 HD2 ARG 58 HD2 ARG 58 -7.853 -20.534 -5.969 420 HD3 ARG 58 HD3 ARG 58 -8.768 -19.081 -6.380 421 HE ARG 58 HE ARG 58 -6.562 -18.020 -6.864 422 HH11 ARG 58 HH11 ARG 58 -6.841 -21.522 -7.166 423 HH12 ARG 58 HH12 ARG 58 -5.547 -21.631 -8.313 424 HH21 ARG 58 HH21 ARG 58 -4.871 -18.193 -8.340 425 HH22 ARG 58 HH22 ARG 58 -4.427 -19.751 -8.967 426 H SER 59 H SER 59 -6.496 -20.977 -1.263 427 HA SER 59 HA SER 59 -8.895 -19.939 0.139 428 HB2 SER 59 HB2 SER 59 -8.454 -22.777 -0.901 429 HB3 SER 59 HB3 SER 59 -9.893 -22.175 -0.067 430 HG SER 59 HG SER 59 -9.090 -20.771 -2.323 431 H GLY 60 H GLY 60 -9.275 -20.777 2.260 432 HA2 GLY 60 HA2 GLY 60 -7.013 -21.368 3.901 433 HA3 GLY 60 HA3 GLY 60 -8.705 -21.484 4.375 434 H LYS 61 H LYS 61 -9.237 -23.371 2.100 435 HA LYS 61 HA LYS 61 -8.712 -25.947 3.022 436 HB2 LYS 61 HB2 LYS 61 -10.308 -25.441 1.219 437 HB3 LYS 61 HB3 LYS 61 -8.995 -24.929 0.162 438 HG2 LYS 61 HG2 LYS 61 -8.114 -27.268 0.203 439 HG3 LYS 61 HG3 LYS 61 -9.513 -27.745 1.177 440 HD2 LYS 61 HD2 LYS 61 -11.030 -27.146 -0.657 441 HD3 LYS 61 HD3 LYS 61 -9.675 -26.537 -1.619 442 HE2 LYS 61 HE2 LYS 61 -10.311 -28.756 -2.390 443 HE3 LYS 61 HE3 LYS 61 -8.709 -28.815 -1.663 444 HZ1 LYS 61 HZ1 LYS 61 -10.056 -30.691 -0.988 445 HZ2 LYS 61 HZ2 LYS 61 -11.237 -29.660 -0.351 446 HZ3 LYS 61 HZ3 LYS 61 -9.697 -29.717 0.349 447 H GLU 62 H GLU 62 -6.814 -23.863 0.883 448 HA GLU 62 HA GLU 62 -4.642 -25.728 0.504 449 HB2 GLU 62 HB2 GLU 62 -4.645 -22.743 -0.130 450 HB3 GLU 62 HB3 GLU 62 -3.608 -23.986 -0.828 451 HG2 GLU 62 HG2 GLU 62 -6.575 -23.564 -1.311 452 HG3 GLU 62 HG3 GLU 62 -5.254 -23.323 -2.456 453 H ALA 63 H ALA 63 -5.394 -23.102 2.679 454 HA ALA 63 HA ALA 63 -2.691 -22.650 3.611 455 HB1 ALA 63 HB1 ALA 63 -5.333 -21.626 4.711 456 HB2 ALA 63 HB2 ALA 63 -4.351 -20.825 3.483 457 HB3 ALA 63 HB3 ALA 63 -3.724 -21.019 5.118 458 H LYS 64 H LYS 64 -5.285 -24.787 4.510 459 HA LYS 64 HA LYS 64 -4.755 -24.977 7.320 460 HB2 LYS 64 HB2 LYS 64 -6.976 -25.474 6.276 461 HB3 LYS 64 HB3 LYS 64 -6.291 -26.915 5.542 462 HG2 LYS 64 HG2 LYS 64 -5.970 -27.923 7.742 463 HG3 LYS 64 HG3 LYS 64 -6.484 -26.431 8.534 464 HD2 LYS 64 HD2 LYS 64 -8.318 -28.027 8.563 465 HD3 LYS 64 HD3 LYS 64 -8.742 -26.684 7.510 466 HE2 LYS 64 HE2 LYS 64 -8.092 -28.078 5.532 467 HE3 LYS 64 HE3 LYS 64 -7.781 -29.435 6.621 468 HZ1 LYS 64 HZ1 LYS 64 -9.966 -29.547 5.595 469 HZ2 LYS 64 HZ2 LYS 64 -10.394 -28.065 6.291 470 HZ3 LYS 64 HZ3 LYS 64 -10.084 -29.406 7.275 471 H ILE 65 H ILE 65 -3.345 -26.503 4.545 472 HA ILE 65 HA ILE 65 -2.341 -28.869 5.760 473 HB ILE 65 HB ILE 65 -0.881 -29.120 3.823 474 HG12 ILE 65 HG12 ILE 65 -1.650 -26.273 3.053 475 HG13 ILE 65 HG13 ILE 65 -0.061 -26.796 3.589 476 HG21 ILE 65 HG21 ILE 65 -3.271 -29.684 3.528 477 HG22 ILE 65 HG22 ILE 65 -2.575 -29.099 2.019 478 HG23 ILE 65 HG23 ILE 65 -3.603 -28.036 2.982 479 HD11 ILE 65 HD11 ILE 65 -1.434 -27.606 1.028 480 HD12 ILE 65 HD12 ILE 65 0.156 -28.166 1.558 481 HD13 ILE 65 HD13 ILE 65 -0.108 -26.459 1.200 482 H LEU 66 H LEU 66 -1.320 -25.556 5.952 483 HA LEU 66 HA LEU 66 1.311 -26.219 7.081 484 HB2 LEU 66 HB2 LEU 66 0.002 -23.474 6.786 485 HB3 LEU 66 HB3 LEU 66 1.664 -23.802 7.244 486 HG LEU 66 HG LEU 66 1.772 -24.954 4.832 487 HD11 LEU 66 HD11 LEU 66 0.406 -23.854 3.145 488 HD12 LEU 66 HD12 LEU 66 -0.450 -22.938 4.388 489 HD13 LEU 66 HD13 LEU 66 -0.623 -24.692 4.307 490 HD21 LEU 66 HD21 LEU 66 1.842 -21.949 5.190 491 HD22 LEU 66 HD22 LEU 66 2.570 -22.859 3.861 492 HD23 LEU 66 HD23 LEU 66 3.166 -23.076 5.504 493 H GLN 67 H GLN 67 1.698 -26.278 9.209 494 HA GLN 67 HA GLN 67 -0.486 -26.249 11.101 495 HB2 GLN 67 HB2 GLN 67 2.493 -26.714 11.581 496 HB3 GLN 67 HB3 GLN 67 1.194 -27.053 12.727 497 HG2 GLN 67 HG2 GLN 67 1.570 -28.404 10.036 498 HG3 GLN 67 HG3 GLN 67 2.019 -29.091 11.594 499 HE21 GLN 67 HE21 GLN 67 -0.343 -28.270 13.047 500 HE22 GLN 67 HE22 GLN 67 -1.664 -29.197 12.436 501 H HIS 68 H HIS 68 1.975 -24.006 10.101 502 HA HIS 68 HA HIS 68 2.076 -22.281 12.347 503 HB2 HIS 68 HB2 HIS 68 2.416 -21.613 9.388 504 HB3 HIS 68 HB3 HIS 68 2.821 -20.516 10.709 505 HD1 HIS 68 HD1 HIS 68 4.626 -22.291 8.448 506 HD2 HIS 68 HD2 HIS 68 4.605 -22.430 12.603 507 HE1 HIS 68 HE1 HIS 68 6.855 -23.254 9.096 508 HE2 HIS 68 HE2 HIS 68 6.822 -23.328 11.613 509 H PHE 69 H PHE 69 -0.137 -22.477 9.600 510 HA PHE 69 HA PHE 69 -1.965 -20.476 10.564 511 HB2 PHE 69 HB2 PHE 69 -2.319 -22.745 8.541 512 HB3 PHE 69 HB3 PHE 69 -3.551 -21.536 8.894 513 HD1 PHE 69 HD1 PHE 69 0.046 -21.739 7.801 514 HD2 PHE 69 HD2 PHE 69 -3.672 -19.664 7.492 515 HE1 PHE 69 HE1 PHE 69 0.992 -20.289 6.054 516 HE2 PHE 69 HE2 PHE 69 -2.717 -18.218 5.753 517 HZ PHE 69 HZ PHE 69 -0.393 -18.532 5.033 518 H GLY 70 H GLY 70 -2.475 -24.002 10.135 519 HA2 GLY 70 HA2 GLY 70 -3.324 -25.550 11.664 520 HA3 GLY 70 HA3 GLY 70 -3.672 -24.253 12.800 521 H ASP 71 H ASP 71 -5.584 -25.947 12.658 522 HA ASP 71 HA ASP 71 -7.398 -25.952 10.519 523 HB2 ASP 71 HB2 ASP 71 -7.436 -27.723 12.133 524 HB3 ASP 71 HB3 ASP 71 -7.676 -26.607 13.471 525 H ARG 72 H ARG 72 -7.626 -24.175 13.621 526 HA ARG 72 HA ARG 72 -10.137 -22.952 12.982 527 HB2 ARG 72 HB2 ARG 72 -8.215 -22.401 15.269 528 HB3 ARG 72 HB3 ARG 72 -9.853 -21.752 15.156 529 HG2 ARG 72 HG2 ARG 72 -9.141 -24.704 15.283 530 HG3 ARG 72 HG3 ARG 72 -9.683 -23.734 16.653 531 HD2 ARG 72 HD2 ARG 72 -11.870 -23.429 15.665 532 HD3 ARG 72 HD3 ARG 72 -11.340 -24.134 14.137 533 HE ARG 72 HE ARG 72 -11.051 -26.270 15.372 534 HH11 ARG 72 HH11 ARG 72 -13.339 -23.909 16.652 535 HH12 ARG 72 HH12 ARG 72 -14.296 -25.115 17.449 536 HH21 ARG 72 HH21 ARG 72 -12.323 -27.821 16.420 537 HH22 ARG 72 HH22 ARG 72 -13.722 -27.325 17.318 538 H LEU 73 H LEU 73 -6.804 -21.910 12.717 539 HA LEU 73 HA LEU 73 -7.158 -19.142 12.227 540 HB2 LEU 73 HB2 LEU 73 -4.981 -20.454 12.615 541 HB3 LEU 73 HB3 LEU 73 -5.077 -20.965 10.948 542 HG LEU 73 HG LEU 73 -3.426 -19.177 11.269 543 HD11 LEU 73 HD11 LEU 73 -4.509 -19.259 9.083 544 HD12 LEU 73 HD12 LEU 73 -4.027 -17.623 9.522 545 HD13 LEU 73 HD13 LEU 73 -5.727 -18.101 9.630 546 HD21 LEU 73 HD21 LEU 73 -4.394 -18.080 13.189 547 HD22 LEU 73 HD22 LEU 73 -5.704 -17.433 12.197 548 HD23 LEU 73 HD23 LEU 73 -4.039 -16.917 11.913 549 H CYS 74 H CYS 74 -6.907 -21.915 10.030 550 HA CYS 74 HA CYS 74 -7.454 -20.501 7.630 551 HB2 CYS 74 HB2 CYS 74 -7.550 -23.474 8.231 552 HB3 CYS 74 HB3 CYS 74 -7.593 -22.761 6.614 553 HG CYS 74 HG CYS 74 -5.004 -23.568 8.392 554 H ARG 75 H ARG 75 -9.513 -22.070 10.002 555 HA ARG 75 HA ARG 75 -11.959 -22.035 8.610 556 HB2 ARG 75 HB2 ARG 75 -11.198 -21.871 11.532 557 HB3 ARG 75 HB3 ARG 75 -12.871 -21.602 11.074 558 HG2 ARG 75 HG2 ARG 75 -11.354 -24.116 10.293 559 HG3 ARG 75 HG3 ARG 75 -12.266 -23.967 11.804 560 HD2 ARG 75 HD2 ARG 75 -13.413 -23.674 8.993 561 HD3 ARG 75 HD3 ARG 75 -13.617 -25.068 10.059 562 HE ARG 75 HE ARG 75 -14.561 -23.048 11.575 563 HH11 ARG 75 HH11 ARG 75 -15.403 -24.053 8.312 564 HH12 ARG 75 HH12 ARG 75 -16.990 -23.373 8.401 565 HH21 ARG 75 HH21 ARG 75 -16.624 -22.180 11.658 566 HH22 ARG 75 HH22 ARG 75 -17.683 -22.326 10.295 567 H MET 76 H MET 76 -10.386 -19.456 10.586 568 HA MET 76 HA MET 76 -12.521 -17.566 10.280 569 HB2 MET 76 HB2 MET 76 -9.588 -17.105 10.994 570 HB3 MET 76 HB3 MET 76 -10.851 -15.887 11.124 571 HG2 MET 76 HG2 MET 76 -11.992 -17.294 12.827 572 HG3 MET 76 HG3 MET 76 -10.678 -18.462 12.712 573 HE1 MET 76 HE1 MET 76 -10.069 -14.142 14.288 574 HE2 MET 76 HE2 MET 76 -11.629 -14.751 13.733 575 HE3 MET 76 HE3 MET 76 -10.314 -14.510 12.582 576 H LEU 77 H LEU 77 -9.483 -18.146 8.660 577 HA LEU 77 HA LEU 77 -9.327 -15.882 7.000 578 HB2 LEU 77 HB2 LEU 77 -7.528 -17.484 7.808 579 HB3 LEU 77 HB3 LEU 77 -8.112 -18.643 6.636 580 HG LEU 77 HG LEU 77 -7.409 -17.207 4.789 581 HD11 LEU 77 HD11 LEU 77 -6.514 -15.210 6.887 582 HD12 LEU 77 HD12 LEU 77 -7.845 -15.003 5.744 583 HD13 LEU 77 HD13 LEU 77 -6.187 -15.106 5.152 584 HD21 LEU 77 HD21 LEU 77 -4.982 -17.334 5.116 585 HD22 LEU 77 HD22 LEU 77 -5.772 -18.774 5.762 586 HD23 LEU 77 HD23 LEU 77 -5.208 -17.511 6.861 587 H ASP 78 H ASP 78 -10.368 -19.215 6.336 588 HA ASP 78 HA ASP 78 -10.946 -18.762 3.551 589 HB2 ASP 78 HB2 ASP 78 -10.241 -20.983 4.401 590 HB3 ASP 78 HB3 ASP 78 -11.734 -21.120 5.308 591 H GLU 79 H GLU 79 -12.993 -19.146 6.481 592 HA GLU 79 HA GLU 79 -15.482 -19.091 5.178 593 HB2 GLU 79 HB2 GLU 79 -14.808 -18.169 7.981 594 HB3 GLU 79 HB3 GLU 79 -16.445 -18.251 7.348 595 HG2 GLU 79 HG2 GLU 79 -14.543 -20.530 7.916 596 HG3 GLU 79 HG3 GLU 79 -16.121 -20.218 8.614 597 H LYS 80 H LYS 80 -13.489 -16.436 6.438 598 HA LYS 80 HA LYS 80 -15.054 -14.252 5.674 599 HB2 LYS 80 HB2 LYS 80 -12.067 -14.635 6.010 600 HB3 LYS 80 HB3 LYS 80 -12.679 -13.101 5.400 601 HG2 LYS 80 HG2 LYS 80 -13.500 -14.357 8.045 602 HG3 LYS 80 HG3 LYS 80 -12.271 -13.103 7.865 603 HD2 LYS 80 HD2 LYS 80 -15.223 -12.830 7.157 604 HD3 LYS 80 HD3 LYS 80 -14.430 -12.144 8.578 605 HE2 LYS 80 HE2 LYS 80 -13.007 -10.745 7.113 606 HE3 LYS 80 HE3 LYS 80 -13.790 -11.439 5.688 607 HZ1 LYS 80 HZ1 LYS 80 -15.902 -10.527 6.475 608 HZ2 LYS 80 HZ2 LYS 80 -14.747 -9.319 6.217 609 HZ3 LYS 80 HZ3 LYS 80 -15.115 -9.815 7.793 610 H LEU 81 H LEU 81 -12.481 -15.872 3.776 611 HA LEU 81 HA LEU 81 -12.686 -14.486 1.374 612 HB2 LEU 81 HB2 LEU 81 -10.899 -16.098 1.803 613 HB3 LEU 81 HB3 LEU 81 -12.055 -17.416 1.859 614 HG LEU 81 HG LEU 81 -12.585 -16.799 -0.622 615 HD11 LEU 81 HD11 LEU 81 -10.800 -15.742 -1.896 616 HD12 LEU 81 HD12 LEU 81 -9.907 -15.411 -0.411 617 HD13 LEU 81 HD13 LEU 81 -11.466 -14.630 -0.697 618 HD21 LEU 81 HD21 LEU 81 -11.482 -18.877 0.025 619 HD22 LEU 81 HD22 LEU 81 -9.917 -18.058 0.045 620 HD23 LEU 81 HD23 LEU 81 -10.806 -18.230 -1.470 621 H LYS 82 H LYS 82 -14.562 -17.191 2.555 622 HA LYS 82 HA LYS 82 -15.936 -17.900 0.186 623 HB2 LYS 82 HB2 LYS 82 -15.580 -19.444 2.097 624 HB3 LYS 82 HB3 LYS 82 -16.599 -18.428 3.108 625 HG2 LYS 82 HG2 LYS 82 -18.530 -18.946 1.586 626 HG3 LYS 82 HG3 LYS 82 -17.483 -20.073 0.715 627 HD2 LYS 82 HD2 LYS 82 -18.235 -20.248 3.665 628 HD3 LYS 82 HD3 LYS 82 -18.920 -21.233 2.370 629 HE2 LYS 82 HE2 LYS 82 -16.721 -22.249 1.962 630 HE3 LYS 82 HE3 LYS 82 -15.998 -21.231 3.212 631 HZ1 LYS 82 HZ1 LYS 82 -18.144 -23.226 3.668 632 HZ2 LYS 82 HZ2 LYS 82 -17.369 -22.296 4.855 633 HZ3 LYS 82 HZ3 LYS 82 -16.504 -23.464 3.997 634 H GLN 83 H GLN 83 -16.649 -15.778 2.923 635 HA GLN 83 HA GLN 83 -19.344 -15.131 2.158 636 HB2 GLN 83 HB2 GLN 83 -17.393 -13.818 4.097 637 HB3 GLN 83 HB3 GLN 83 -19.080 -13.338 3.917 638 HG2 GLN 83 HG2 GLN 83 -19.820 -15.517 4.692 639 HG3 GLN 83 HG3 GLN 83 -18.165 -16.096 4.775 640 HE21 GLN 83 HE21 GLN 83 -16.804 -15.328 6.440 641 HE22 GLN 83 HE22 GLN 83 -17.441 -14.577 7.858 642 H HIS 84 H HIS 84 -16.144 -13.795 1.667 643 HA HIS 84 HA HIS 84 -16.816 -11.294 0.532 644 HB2 HIS 84 HB2 HIS 84 -14.568 -11.825 1.434 645 HB3 HIS 84 HB3 HIS 84 -14.310 -13.002 0.155 646 HD1 HIS 84 HD1 HIS 84 -13.477 -12.128 -2.087 647 HD2 HIS 84 HD2 HIS 84 -14.487 -9.092 0.567 648 HE1 HIS 84 HE1 HIS 84 -12.641 -10.007 -3.143 649 HE2 HIS 84 HE2 HIS 84 -13.372 -8.178 -1.580 650 H LEU 85 H LEU 85 -16.256 -14.512 -0.867 651 HA LEU 85 HA LEU 85 -16.424 -13.627 -3.611 652 HB2 LEU 85 HB2 LEU 85 -16.264 -16.394 -2.366 653 HB3 LEU 85 HB3 LEU 85 -16.368 -16.136 -4.104 654 HG LEU 85 HG LEU 85 -14.098 -15.192 -2.300 655 HD11 LEU 85 HD11 LEU 85 -12.715 -16.825 -3.520 656 HD12 LEU 85 HD12 LEU 85 -14.147 -17.398 -4.382 657 HD13 LEU 85 HD13 LEU 85 -14.027 -17.597 -2.633 658 HD21 LEU 85 HD21 LEU 85 -14.425 -13.589 -4.110 659 HD22 LEU 85 HD22 LEU 85 -14.411 -14.884 -5.308 660 HD23 LEU 85 HD23 LEU 85 -12.950 -14.514 -4.387 661 H ALA 86 H ALA 86 -18.552 -15.396 -1.359 662 HA ALA 86 HA ALA 86 -20.562 -16.070 -3.285 663 HB1 ALA 86 HB1 ALA 86 -21.920 -16.780 -1.359 664 HB2 ALA 86 HB2 ALA 86 -20.794 -15.985 -0.254 665 HB3 ALA 86 HB3 ALA 86 -20.261 -17.367 -1.210 666 H SER 87 H SER 87 -20.349 -13.520 -0.805 667 HA SER 87 HA SER 87 -22.839 -12.261 -1.544 668 HB2 SER 87 HB2 SER 87 -21.827 -12.164 0.773 669 HB3 SER 87 HB3 SER 87 -20.557 -11.121 0.137 670 HG SER 87 HG SER 87 -22.583 -9.845 -0.613 671 H GLY 88 H GLY 88 -19.479 -11.986 -2.532 672 HA2 GLY 88 HA2 GLY 88 -18.533 -10.856 -4.318 673 HA3 GLY 88 HA3 GLY 88 -20.108 -10.171 -4.708 674 H GLY 89 H GLY 89 -18.553 -10.018 -1.566 675 HA2 GLY 89 HA2 GLY 89 -17.229 -7.589 -1.655 676 HA3 GLY 89 HA3 GLY 89 -18.906 -7.215 -1.253 677 H ASP 90 H ASP 90 -17.502 -6.421 0.647 678 HA ASP 90 HA ASP 90 -17.436 -8.458 2.776 679 HB2 ASP 90 HB2 ASP 90 -15.120 -8.197 1.804 680 HB3 ASP 90 HB3 ASP 90 -15.158 -6.492 2.234 Start of MODEL 3 1 H ARG 11 H ARG 11 5.323 -0.357 -4.150 2 HA ARG 11 HA ARG 11 4.893 -2.669 -4.563 3 HB2 ARG 11 HB2 ARG 11 3.034 -1.227 -3.848 4 HB3 ARG 11 HB3 ARG 11 2.720 -0.762 -5.517 5 HG2 ARG 11 HG2 ARG 11 2.203 -3.231 -5.975 6 HG3 ARG 11 HG3 ARG 11 2.253 -3.472 -4.224 7 HD2 ARG 11 HD2 ARG 11 -0.056 -3.153 -5.011 8 HD3 ARG 11 HD3 ARG 11 0.430 -1.828 -3.949 9 HE ARG 11 HE ARG 11 0.976 -1.071 -6.588 10 HH11 ARG 11 HH11 ARG 11 -1.848 -1.644 -4.584 11 HH12 ARG 11 HH12 ARG 11 -2.855 -0.589 -5.517 12 HH21 ARG 11 HH21 ARG 11 -0.360 0.328 -7.778 13 HH22 ARG 11 HH22 ARG 11 -2.020 0.528 -7.305 14 HA PRO 12 HA PRO 12 5.142 -3.698 -9.060 15 HB2 PRO 12 HB2 PRO 12 6.245 -6.154 -8.799 16 HB3 PRO 12 HB3 PRO 12 7.229 -4.689 -8.671 17 HG2 PRO 12 HG2 PRO 12 6.126 -6.418 -6.455 18 HG3 PRO 12 HG3 PRO 12 7.748 -5.711 -6.611 19 HD2 PRO 12 HD2 PRO 12 5.730 -4.585 -5.077 20 HD3 PRO 12 HD3 PRO 12 7.066 -3.649 -5.782 21 H LEU 13 H LEU 13 3.554 -4.794 -10.171 22 HA LEU 13 HA LEU 13 1.611 -6.451 -8.702 23 HB2 LEU 13 HB2 LEU 13 1.461 -4.861 -11.264 24 HB3 LEU 13 HB3 LEU 13 0.393 -6.237 -11.081 25 HG LEU 13 HG LEU 13 -0.784 -4.202 -10.481 26 HD11 LEU 13 HD11 LEU 13 -1.612 -4.797 -8.277 27 HD12 LEU 13 HD12 LEU 13 -0.209 -5.835 -8.003 28 HD13 LEU 13 HD13 LEU 13 -1.370 -6.231 -9.273 29 HD21 LEU 13 HD21 LEU 13 1.338 -3.717 -8.369 30 HD22 LEU 13 HD22 LEU 13 -0.139 -2.774 -8.601 31 HD23 LEU 13 HD23 LEU 13 1.103 -2.786 -9.851 32 HA PRO 14 HA PRO 14 3.812 -9.916 -10.741 33 HB2 PRO 14 HB2 PRO 14 2.755 -11.628 -8.597 34 HB3 PRO 14 HB3 PRO 14 4.421 -11.104 -8.860 35 HG2 PRO 14 HG2 PRO 14 2.906 -10.272 -6.728 36 HG3 PRO 14 HG3 PRO 14 4.221 -9.297 -7.420 37 HD2 PRO 14 HD2 PRO 14 1.243 -9.104 -7.934 38 HD3 PRO 14 HD3 PRO 14 2.412 -7.803 -7.594 39 H VAL 15 H VAL 15 2.765 -12.446 -10.705 40 HA VAL 15 HA VAL 15 0.186 -12.267 -12.106 41 HB VAL 15 HB VAL 15 2.164 -13.543 -13.073 42 HG11 VAL 15 HG11 VAL 15 2.719 -15.791 -12.206 43 HG12 VAL 15 HG12 VAL 15 1.608 -15.547 -10.858 44 HG13 VAL 15 HG13 VAL 15 3.044 -14.536 -11.006 45 HG21 VAL 15 HG21 VAL 15 -0.105 -13.985 -13.926 46 HG22 VAL 15 HG22 VAL 15 -0.364 -15.195 -12.668 47 HG23 VAL 15 HG23 VAL 15 0.849 -15.471 -13.919 48 H CYS 16 H CYS 16 0.867 -12.206 -9.036 49 HA CYS 16 HA CYS 16 -0.214 -14.466 -7.777 50 HB2 CYS 16 HB2 CYS 16 -0.249 -13.051 -5.747 51 HB3 CYS 16 HB3 CYS 16 1.263 -12.854 -6.629 52 HG CYS 16 HG CYS 16 -1.226 -10.646 -7.258 53 HA PRO 17 HA PRO 17 -4.671 -13.594 -8.085 54 HB2 PRO 17 HB2 PRO 17 -5.596 -15.320 -6.220 55 HB3 PRO 17 HB3 PRO 17 -4.892 -15.911 -7.735 56 HG2 PRO 17 HG2 PRO 17 -3.581 -15.657 -5.018 57 HG3 PRO 17 HG3 PRO 17 -3.574 -17.041 -6.134 58 HD2 PRO 17 HD2 PRO 17 -1.500 -15.274 -6.024 59 HD3 PRO 17 HD3 PRO 17 -1.972 -16.087 -7.534 60 H ASN 18 H ASN 18 -6.509 -13.188 -6.324 61 HA ASN 18 HA ASN 18 -5.442 -11.635 -4.023 62 HB2 ASN 18 HB2 ASN 18 -7.756 -10.822 -5.839 63 HB3 ASN 18 HB3 ASN 18 -7.315 -9.994 -4.354 64 HD21 ASN 18 HD21 ASN 18 -4.416 -10.153 -4.824 65 HD22 ASN 18 HD22 ASN 18 -4.086 -9.048 -6.104 66 HA PRO 19 HA PRO 19 -8.657 -14.472 -2.218 67 HB2 PRO 19 HB2 PRO 19 -7.116 -16.007 -0.648 68 HB3 PRO 19 HB3 PRO 19 -7.230 -16.329 -2.386 69 HG2 PRO 19 HG2 PRO 19 -5.052 -14.913 -0.858 70 HG3 PRO 19 HG3 PRO 19 -4.901 -16.115 -2.158 71 HD2 PRO 19 HD2 PRO 19 -4.727 -13.353 -2.526 72 HD3 PRO 19 HD3 PRO 19 -5.122 -14.517 -3.807 73 H LEU 20 H LEU 20 -6.347 -12.199 -1.233 74 HA LEU 20 HA LEU 20 -6.209 -10.662 0.376 75 HB2 LEU 20 HB2 LEU 20 -9.059 -11.548 0.945 76 HB3 LEU 20 HB3 LEU 20 -8.274 -10.301 1.889 77 HG LEU 20 HG LEU 20 -7.961 -8.988 -0.282 78 HD11 LEU 20 HD11 LEU 20 -9.419 -9.495 -2.176 79 HD12 LEU 20 HD12 LEU 20 -9.946 -10.985 -1.389 80 HD13 LEU 20 HD13 LEU 20 -8.265 -10.801 -1.894 81 HD21 LEU 20 HD21 LEU 20 -10.244 -8.099 -0.247 82 HD22 LEU 20 HD22 LEU 20 -9.649 -8.392 1.387 83 HD23 LEU 20 HD23 LEU 20 -10.796 -9.517 0.649 84 H PHE 21 H PHE 21 -5.645 -13.706 1.005 85 HA PHE 21 HA PHE 21 -6.089 -14.064 3.794 86 HB2 PHE 21 HB2 PHE 21 -4.105 -15.395 1.907 87 HB3 PHE 21 HB3 PHE 21 -4.343 -15.904 3.576 88 HD1 PHE 21 HD1 PHE 21 -7.528 -15.239 3.153 89 HD2 PHE 21 HD2 PHE 21 -4.626 -17.765 1.297 90 HE1 PHE 21 HE1 PHE 21 -9.292 -16.783 2.482 91 HE2 PHE 21 HE2 PHE 21 -6.414 -19.301 0.622 92 HZ PHE 21 HZ PHE 21 -8.748 -18.815 1.214 93 H VAL 22 H VAL 22 -3.330 -12.829 1.947 94 HA VAL 22 HA VAL 22 -1.458 -12.543 4.008 95 HB VAL 22 HB VAL 22 -0.750 -12.301 1.703 96 HG11 VAL 22 HG11 VAL 22 -2.423 -9.763 1.501 97 HG12 VAL 22 HG12 VAL 22 -2.781 -11.298 0.711 98 HG13 VAL 22 HG13 VAL 22 -1.339 -10.394 0.251 99 HG21 VAL 22 HG21 VAL 22 0.619 -11.111 3.375 100 HG22 VAL 22 HG22 VAL 22 -0.347 -9.652 3.145 101 HG23 VAL 22 HG23 VAL 22 0.647 -10.263 1.822 102 H ARG 23 H ARG 23 -3.936 -10.218 2.860 103 HA ARG 23 HA ARG 23 -3.094 -8.143 4.665 104 HB2 ARG 23 HB2 ARG 23 -4.946 -6.817 3.844 105 HB3 ARG 23 HB3 ARG 23 -4.145 -7.586 2.479 106 HG2 ARG 23 HG2 ARG 23 -5.939 -9.137 2.173 107 HG3 ARG 23 HG3 ARG 23 -6.672 -8.719 3.724 108 HD2 ARG 23 HD2 ARG 23 -6.406 -6.807 1.382 109 HD3 ARG 23 HD3 ARG 23 -7.850 -7.756 1.741 110 HE ARG 23 HE ARG 23 -7.328 -6.403 4.067 111 HH11 ARG 23 HH11 ARG 23 -7.908 -5.402 0.747 112 HH12 ARG 23 HH12 ARG 23 -8.657 -3.916 1.223 113 HH21 ARG 23 HH21 ARG 23 -8.301 -4.474 4.636 114 HH22 ARG 23 HH22 ARG 23 -8.881 -3.396 3.410 115 H TRP 24 H TRP 24 -5.574 -10.683 4.724 116 HA TRP 24 HA TRP 24 -7.024 -9.700 6.971 117 HB2 TRP 24 HB2 TRP 24 -6.858 -12.443 5.663 118 HB3 TRP 24 HB3 TRP 24 -7.796 -12.188 7.132 119 HD1 TRP 24 HD1 TRP 24 -8.842 -9.203 6.082 120 HE1 TRP 24 HE1 TRP 24 -10.786 -9.171 4.425 121 HE3 TRP 24 HE3 TRP 24 -8.534 -14.010 4.348 122 HZ2 TRP 24 HZ2 TRP 24 -12.046 -10.910 2.621 123 HZ3 TRP 24 HZ3 TRP 24 -10.165 -14.749 2.669 124 HH2 TRP 24 HH2 TRP 24 -11.891 -13.235 1.821 125 H LEU 25 H LEU 25 -4.314 -12.033 6.670 126 HA LEU 25 HA LEU 25 -4.081 -12.596 9.445 127 HB2 LEU 25 HB2 LEU 25 -2.082 -12.795 7.170 128 HB3 LEU 25 HB3 LEU 25 -1.703 -13.325 8.805 129 HG LEU 25 HG LEU 25 -3.962 -14.458 7.099 130 HD11 LEU 25 HD11 LEU 25 -2.596 -16.491 6.887 131 HD12 LEU 25 HD12 LEU 25 -1.249 -15.678 7.696 132 HD13 LEU 25 HD13 LEU 25 -1.825 -15.094 6.131 133 HD21 LEU 25 HD21 LEU 25 -4.449 -14.580 9.489 134 HD22 LEU 25 HD22 LEU 25 -2.895 -15.361 9.795 135 HD23 LEU 25 HD23 LEU 25 -4.132 -16.189 8.842 136 H THR 26 H THR 26 -2.863 -9.942 7.467 137 HA THR 26 HA THR 26 -1.051 -8.885 9.430 138 HB THR 26 HB THR 26 -2.260 -7.511 6.997 139 HG1 THR 26 HG1 THR 26 -0.885 -9.490 6.725 140 HG21 THR 26 HG21 THR 26 -0.343 -5.965 7.147 141 HG22 THR 26 HG22 THR 26 0.210 -6.778 8.613 142 HG23 THR 26 HG23 THR 26 -1.314 -5.888 8.621 143 H GLU 27 H GLU 27 -4.401 -8.072 8.422 144 HA GLU 27 HA GLU 27 -4.581 -5.760 10.122 145 HB2 GLU 27 HB2 GLU 27 -6.885 -5.536 9.355 146 HB3 GLU 27 HB3 GLU 27 -5.835 -5.879 7.986 147 HG2 GLU 27 HG2 GLU 27 -6.566 -8.288 8.139 148 HG3 GLU 27 HG3 GLU 27 -7.744 -7.799 9.352 149 H TRP 28 H TRP 28 -5.506 -9.155 10.428 150 HA TRP 28 HA TRP 28 -6.986 -8.771 12.886 151 HB2 TRP 28 HB2 TRP 28 -5.957 -11.332 11.598 152 HB3 TRP 28 HB3 TRP 28 -7.017 -11.262 13.003 153 HD1 TRP 28 HD1 TRP 28 -8.737 -8.751 11.379 154 HE1 TRP 28 HE1 TRP 28 -10.496 -9.562 9.694 155 HE3 TRP 28 HE3 TRP 28 -7.101 -13.551 10.743 156 HZ2 TRP 28 HZ2 TRP 28 -11.128 -11.917 8.293 157 HZ3 TRP 28 HZ3 TRP 28 -8.346 -15.025 9.221 158 HH2 TRP 28 HH2 TRP 28 -10.320 -14.230 8.017 159 H ARG 29 H ARG 29 -3.648 -9.657 11.997 160 HA ARG 29 HA ARG 29 -2.558 -10.039 14.573 161 HB2 ARG 29 HB2 ARG 29 -1.141 -10.473 12.680 162 HB3 ARG 29 HB3 ARG 29 -1.413 -8.870 12.010 163 HG2 ARG 29 HG2 ARG 29 -0.128 -7.899 13.911 164 HG3 ARG 29 HG3 ARG 29 0.209 -9.535 14.484 165 HD2 ARG 29 HD2 ARG 29 1.640 -9.998 12.662 166 HD3 ARG 29 HD3 ARG 29 0.967 -8.692 11.675 167 HE ARG 29 HE ARG 29 2.116 -7.552 13.965 168 HH11 ARG 29 HH11 ARG 29 3.248 -9.295 11.129 169 HH12 ARG 29 HH12 ARG 29 4.718 -8.388 11.017 170 HH21 ARG 29 HH21 ARG 29 4.028 -6.364 13.789 171 HH22 ARG 29 HH22 ARG 29 5.162 -6.728 12.530 172 H ASP 30 H ASP 30 -3.285 -7.098 12.739 173 HA ASP 30 HA ASP 30 -2.304 -5.167 14.599 174 HB2 ASP 30 HB2 ASP 30 -2.653 -4.676 12.186 175 HB3 ASP 30 HB3 ASP 30 -4.386 -4.898 12.385 176 H GLU 31 H GLU 31 -5.497 -6.604 14.019 177 HA GLU 31 HA GLU 31 -7.051 -5.268 15.952 178 HB2 GLU 31 HB2 GLU 31 -7.239 -8.008 14.651 179 HB3 GLU 31 HB3 GLU 31 -8.403 -7.523 15.870 180 HG2 GLU 31 HG2 GLU 31 -7.922 -6.100 13.238 181 HG3 GLU 31 HG3 GLU 31 -9.250 -7.212 13.584 182 H ALA 32 H ALA 32 -4.956 -8.088 16.149 183 HA ALA 32 HA ALA 32 -5.580 -8.820 18.842 184 HB1 ALA 32 HB1 ALA 32 -3.618 -10.307 18.650 185 HB2 ALA 32 HB2 ALA 32 -3.144 -9.498 17.151 186 HB3 ALA 32 HB3 ALA 32 -4.646 -10.424 17.218 187 H ALA 33 H ALA 33 -3.152 -6.767 17.309 188 HA ALA 33 HA ALA 33 -1.614 -6.181 19.664 189 HB1 ALA 33 HB1 ALA 33 -1.811 -4.664 17.029 190 HB2 ALA 33 HB2 ALA 33 -0.687 -5.977 17.383 191 HB3 ALA 33 HB3 ALA 33 -0.557 -4.452 18.259 192 H SER 34 H SER 34 -4.581 -4.960 18.329 193 HA SER 34 HA SER 34 -4.589 -2.399 19.720 194 HB2 SER 34 HB2 SER 34 -5.628 -2.656 17.475 195 HB3 SER 34 HB3 SER 34 -6.766 -3.840 18.117 196 HG SER 34 HG SER 34 -7.238 -1.366 17.941 197 H ARG 35 H ARG 35 -6.177 -5.578 20.007 198 HA ARG 35 HA ARG 35 -7.612 -4.724 22.452 199 HB2 ARG 35 HB2 ARG 35 -8.266 -6.631 20.233 200 HB3 ARG 35 HB3 ARG 35 -8.817 -7.092 21.834 201 HG2 ARG 35 HG2 ARG 35 -10.579 -5.911 20.620 202 HG3 ARG 35 HG3 ARG 35 -10.089 -5.001 22.049 203 HD2 ARG 35 HD2 ARG 35 -8.600 -3.627 20.502 204 HD3 ARG 35 HD3 ARG 35 -9.421 -4.415 19.151 205 HE ARG 35 HE ARG 35 -11.538 -3.490 20.311 206 HH11 ARG 35 HH11 ARG 35 -8.460 -1.787 20.160 207 HH12 ARG 35 HH12 ARG 35 -9.196 -0.225 20.300 208 HH21 ARG 35 HH21 ARG 35 -12.459 -1.425 20.514 209 HH22 ARG 35 HH22 ARG 35 -11.445 -0.017 20.493 210 H GLY 36 H GLY 36 -4.774 -6.072 21.865 211 HA2 GLY 36 HA2 GLY 36 -3.299 -7.306 23.114 212 HA3 GLY 36 HA3 GLY 36 -4.422 -7.138 24.452 213 H ARG 37 H ARG 37 -5.251 -8.671 21.411 214 HA ARG 37 HA ARG 37 -6.174 -11.058 22.688 215 HB2 ARG 37 HB2 ARG 37 -5.859 -10.460 19.715 216 HB3 ARG 37 HB3 ARG 37 -6.763 -11.811 20.395 217 HG2 ARG 37 HG2 ARG 37 -8.368 -10.267 21.415 218 HG3 ARG 37 HG3 ARG 37 -7.434 -8.880 20.850 219 HD2 ARG 37 HD2 ARG 37 -7.937 -9.402 18.534 220 HD3 ARG 37 HD3 ARG 37 -8.701 -10.929 18.995 221 HE ARG 37 HE ARG 37 -10.359 -9.476 20.248 222 HH11 ARG 37 HH11 ARG 37 -8.771 -8.229 17.358 223 HH12 ARG 37 HH12 ARG 37 -10.111 -7.219 16.922 224 HH21 ARG 37 HH21 ARG 37 -12.070 -8.164 19.658 225 HH22 ARG 37 HH22 ARG 37 -11.983 -7.192 18.225 226 H HIS 38 H HIS 38 -5.244 -13.032 22.820 227 HA HIS 38 HA HIS 38 -2.418 -13.297 22.748 228 HB2 HIS 38 HB2 HIS 38 -4.500 -15.517 22.913 229 HB3 HIS 38 HB3 HIS 38 -2.815 -15.634 23.410 230 HD1 HIS 38 HD1 HIS 38 -6.148 -14.773 24.637 231 HD2 HIS 38 HD2 HIS 38 -2.223 -13.999 25.770 232 HE1 HIS 38 HE1 HIS 38 -6.275 -14.011 27.029 233 HE2 HIS 38 HE2 HIS 38 -3.915 -13.366 27.620 234 H THR 39 H THR 39 -4.849 -13.802 20.372 235 HA THR 39 HA THR 39 -3.687 -15.704 18.655 236 HB THR 39 HB THR 39 -5.237 -14.670 16.918 237 HG1 THR 39 HG1 THR 39 -6.254 -12.850 17.372 238 HG21 THR 39 HG21 THR 39 -6.495 -15.328 19.606 239 HG22 THR 39 HG22 THR 39 -6.047 -16.494 18.359 240 HG23 THR 39 HG23 THR 39 -7.326 -15.322 18.046 241 H ARG 40 H ARG 40 -2.504 -12.614 19.335 242 HA ARG 40 HA ARG 40 -1.541 -11.493 17.009 243 HB2 ARG 40 HB2 ARG 40 -1.193 -10.432 19.181 244 HB3 ARG 40 HB3 ARG 40 -0.192 -11.766 19.736 245 HG2 ARG 40 HG2 ARG 40 1.250 -9.912 19.235 246 HG3 ARG 40 HG3 ARG 40 1.516 -11.143 18.000 247 HD2 ARG 40 HD2 ARG 40 -0.091 -9.839 16.524 248 HD3 ARG 40 HD3 ARG 40 -0.049 -8.563 17.744 249 HE ARG 40 HE ARG 40 2.287 -9.502 16.176 250 HH11 ARG 40 HH11 ARG 40 0.786 -6.922 18.042 251 HH12 ARG 40 HH12 ARG 40 1.906 -5.720 17.489 252 HH21 ARG 40 HH21 ARG 40 3.743 -7.902 15.484 253 HH22 ARG 40 HH22 ARG 40 3.561 -6.267 16.048 254 H PHE 41 H PHE 41 -0.166 -14.172 18.867 255 HA PHE 41 HA PHE 41 2.244 -14.433 17.358 256 HB2 PHE 41 HB2 PHE 41 0.923 -16.250 19.410 257 HB3 PHE 41 HB3 PHE 41 2.504 -16.569 18.706 258 HD1 PHE 41 HD1 PHE 41 0.614 -14.048 20.749 259 HD2 PHE 41 HD2 PHE 41 4.451 -15.565 19.603 260 HE1 PHE 41 HE1 PHE 41 1.689 -12.654 22.464 261 HE2 PHE 41 HE2 PHE 41 5.510 -14.159 21.314 262 HZ PHE 41 HZ PHE 41 4.135 -12.704 22.744 263 H VAL 42 H VAL 42 -0.915 -16.135 17.282 264 HA VAL 42 HA VAL 42 -0.002 -18.153 15.453 265 HB VAL 42 HB VAL 42 -1.955 -18.475 17.067 266 HG11 VAL 42 HG11 VAL 42 -3.225 -16.419 16.615 267 HG12 VAL 42 HG12 VAL 42 -4.225 -17.842 16.331 268 HG13 VAL 42 HG13 VAL 42 -3.540 -16.959 14.967 269 HG21 VAL 42 HG21 VAL 42 -2.395 -19.235 14.158 270 HG22 VAL 42 HG22 VAL 42 -3.176 -20.009 15.539 271 HG23 VAL 42 HG23 VAL 42 -1.425 -20.128 15.332 272 H PHE 43 H PHE 43 -1.529 -14.987 15.098 273 HA PHE 43 HA PHE 43 -1.994 -15.199 12.260 274 HB2 PHE 43 HB2 PHE 43 -1.864 -12.773 14.107 275 HB3 PHE 43 HB3 PHE 43 -2.204 -12.652 12.383 276 HD1 PHE 43 HD1 PHE 43 -4.024 -14.918 11.916 277 HD2 PHE 43 HD2 PHE 43 -3.884 -12.157 15.177 278 HE1 PHE 43 HE1 PHE 43 -6.413 -15.280 12.329 279 HE2 PHE 43 HE2 PHE 43 -6.283 -12.522 15.575 280 HZ PHE 43 HZ PHE 43 -7.545 -14.083 14.154 281 H GLN 44 H GLN 44 0.707 -14.214 14.321 282 HA GLN 44 HA GLN 44 2.266 -12.949 12.286 283 HB2 GLN 44 HB2 GLN 44 2.766 -12.423 14.602 284 HB3 GLN 44 HB3 GLN 44 3.036 -14.115 14.996 285 HG2 GLN 44 HG2 GLN 44 5.153 -12.847 14.833 286 HG3 GLN 44 HG3 GLN 44 5.069 -14.166 13.666 287 HE21 GLN 44 HE21 GLN 44 6.507 -13.321 12.188 288 HE22 GLN 44 HE22 GLN 44 6.222 -11.878 11.274 289 H LYS 45 H LYS 45 2.340 -16.247 13.722 290 HA LYS 45 HA LYS 45 4.514 -17.162 12.103 291 HB2 LYS 45 HB2 LYS 45 4.073 -19.377 13.015 292 HB3 LYS 45 HB3 LYS 45 3.964 -18.175 14.294 293 HG2 LYS 45 HG2 LYS 45 1.470 -18.257 14.107 294 HG3 LYS 45 HG3 LYS 45 1.635 -19.540 12.908 295 HD2 LYS 45 HD2 LYS 45 1.126 -20.530 15.068 296 HD3 LYS 45 HD3 LYS 45 2.786 -20.952 14.632 297 HE2 LYS 45 HE2 LYS 45 3.648 -19.226 16.162 298 HE3 LYS 45 HE3 LYS 45 2.006 -18.693 16.525 299 HZ1 LYS 45 HZ1 LYS 45 3.209 -21.311 17.203 300 HZ2 LYS 45 HZ2 LYS 45 1.581 -20.916 17.428 301 HZ3 LYS 45 HZ3 LYS 45 2.777 -20.073 18.270 302 H ALA 46 H ALA 46 1.021 -17.143 11.700 303 HA ALA 46 HA ALA 46 0.893 -18.862 9.405 304 HB1 ALA 46 HB1 ALA 46 -1.074 -16.738 10.353 305 HB2 ALA 46 HB2 ALA 46 -1.086 -18.438 10.828 306 HB3 ALA 46 HB3 ALA 46 -1.406 -17.996 9.150 307 H LEU 47 H LEU 47 1.028 -15.316 9.888 308 HA LEU 47 HA LEU 47 0.760 -14.534 7.178 309 HB2 LEU 47 HB2 LEU 47 0.381 -12.966 9.039 310 HB3 LEU 47 HB3 LEU 47 2.068 -13.079 9.509 311 HG LEU 47 HG LEU 47 2.733 -11.965 7.371 312 HD11 LEU 47 HD11 LEU 47 1.058 -10.921 5.925 313 HD12 LEU 47 HD12 LEU 47 -0.244 -11.656 6.861 314 HD13 LEU 47 HD13 LEU 47 0.877 -12.674 5.951 315 HD21 LEU 47 HD21 LEU 47 2.428 -10.618 9.404 316 HD22 LEU 47 HD22 LEU 47 0.724 -10.368 9.014 317 HD23 LEU 47 HD23 LEU 47 1.979 -9.699 7.967 318 H ARG 48 H ARG 48 3.667 -14.729 9.247 319 HA ARG 48 HA ARG 48 5.604 -14.059 7.340 320 HB2 ARG 48 HB2 ARG 48 6.066 -14.004 9.761 321 HB3 ARG 48 HB3 ARG 48 5.891 -15.754 9.860 322 HG2 ARG 48 HG2 ARG 48 7.888 -16.035 8.410 323 HG3 ARG 48 HG3 ARG 48 8.061 -14.279 8.320 324 HD2 ARG 48 HD2 ARG 48 8.477 -14.177 10.736 325 HD3 ARG 48 HD3 ARG 48 8.218 -15.921 10.872 326 HE ARG 48 HE ARG 48 10.250 -15.512 8.995 327 HH11 ARG 48 HH11 ARG 48 9.786 -15.030 12.453 328 HH12 ARG 48 HH12 ARG 48 11.469 -15.203 12.817 329 HH21 ARG 48 HH21 ARG 48 12.435 -15.762 9.501 330 HH22 ARG 48 HH22 ARG 48 12.973 -15.624 11.142 331 H SER 49 H SER 49 4.273 -17.240 8.277 332 HA SER 49 HA SER 49 5.902 -18.919 6.710 333 HB2 SER 49 HB2 SER 49 4.234 -19.735 8.414 334 HB3 SER 49 HB3 SER 49 2.934 -19.325 7.300 335 HG SER 49 HG SER 49 4.300 -20.793 5.818 336 H LEU 50 H LEU 50 2.823 -17.298 5.932 337 HA LEU 50 HA LEU 50 2.523 -18.172 3.263 338 HB2 LEU 50 HB2 LEU 50 0.767 -17.186 4.831 339 HB3 LEU 50 HB3 LEU 50 1.447 -15.606 4.525 340 HG LEU 50 HG LEU 50 0.329 -17.290 2.244 341 HD11 LEU 50 HD11 LEU 50 -1.843 -16.185 2.511 342 HD12 LEU 50 HD12 LEU 50 -1.282 -15.388 3.984 343 HD13 LEU 50 HD13 LEU 50 -1.446 -17.147 3.935 344 HD21 LEU 50 HD21 LEU 50 0.633 -14.273 2.544 345 HD22 LEU 50 HD22 LEU 50 -0.042 -15.109 1.143 346 HD23 LEU 50 HD23 LEU 50 1.653 -15.328 1.565 347 H GLN 51 H GLN 51 4.286 -15.464 4.709 348 HA GLN 51 HA GLN 51 4.658 -13.907 2.346 349 HB2 GLN 51 HB2 GLN 51 6.278 -13.877 4.931 350 HB3 GLN 51 HB3 GLN 51 6.394 -12.670 3.654 351 HG2 GLN 51 HG2 GLN 51 4.033 -13.197 5.469 352 HG3 GLN 51 HG3 GLN 51 5.066 -11.776 5.444 353 HE21 GLN 51 HE21 GLN 51 2.487 -13.488 3.823 354 HE22 GLN 51 HE22 GLN 51 1.982 -12.187 2.807 355 H ARG 52 H ARG 52 6.588 -16.479 3.853 356 HA ARG 52 HA ARG 52 8.661 -16.250 1.771 357 HB2 ARG 52 HB2 ARG 52 9.906 -17.951 3.037 358 HB3 ARG 52 HB3 ARG 52 9.438 -16.618 4.088 359 HG2 ARG 52 HG2 ARG 52 7.736 -17.927 5.163 360 HG3 ARG 52 HG3 ARG 52 7.856 -19.211 3.957 361 HD2 ARG 52 HD2 ARG 52 10.059 -18.450 5.911 362 HD3 ARG 52 HD3 ARG 52 8.943 -19.803 6.108 363 HE ARG 52 HE ARG 52 10.265 -19.991 3.605 364 HH11 ARG 52 HH11 ARG 52 10.914 -20.464 7.015 365 HH12 ARG 52 HH12 ARG 52 12.148 -21.647 6.735 366 HH21 ARG 52 HH21 ARG 52 11.861 -21.551 3.261 367 HH22 ARG 52 HH22 ARG 52 12.682 -22.254 4.613 368 H TYR 53 H TYR 53 5.712 -17.898 2.236 369 HA TYR 53 HA TYR 53 6.437 -20.449 1.100 370 HB2 TYR 53 HB2 TYR 53 4.471 -19.835 2.766 371 HB3 TYR 53 HB3 TYR 53 3.571 -19.477 1.301 372 HD1 TYR 53 HD1 TYR 53 5.801 -22.204 2.634 373 HD2 TYR 53 HD2 TYR 53 2.214 -21.252 0.511 374 HE1 TYR 53 HE1 TYR 53 5.262 -24.594 2.481 375 HE2 TYR 53 HE2 TYR 53 1.672 -23.642 0.364 376 HH TYR 53 HH TYR 53 2.853 -25.831 0.458 377 HA PRO 54 HA PRO 54 6.243 -18.700 -3.059 378 HB2 PRO 54 HB2 PRO 54 7.090 -20.827 -4.481 379 HB3 PRO 54 HB3 PRO 54 8.168 -19.998 -3.346 380 HG2 PRO 54 HG2 PRO 54 6.578 -22.535 -2.920 381 HG3 PRO 54 HG3 PRO 54 8.288 -22.221 -2.555 382 HD2 PRO 54 HD2 PRO 54 6.322 -22.056 -0.652 383 HD3 PRO 54 HD3 PRO 54 7.800 -21.068 -0.595 384 H LEU 55 H LEU 55 4.030 -20.987 -1.869 385 HA LEU 55 HA LEU 55 2.583 -21.361 -4.376 386 HB2 LEU 55 HB2 LEU 55 1.828 -22.214 -1.553 387 HB3 LEU 55 HB3 LEU 55 0.951 -22.638 -3.011 388 HG LEU 55 HG LEU 55 3.666 -23.640 -2.097 389 HD11 LEU 55 HD11 LEU 55 2.638 -25.846 -2.353 390 HD12 LEU 55 HD12 LEU 55 1.135 -25.105 -2.909 391 HD13 LEU 55 HD13 LEU 55 1.702 -24.829 -1.259 392 HD21 LEU 55 HD21 LEU 55 3.911 -24.824 -4.254 393 HD22 LEU 55 HD22 LEU 55 3.987 -23.076 -4.437 394 HD23 LEU 55 HD23 LEU 55 2.519 -23.944 -4.894 395 HA PRO 56 HA PRO 56 0.213 -17.663 -4.092 396 HB2 PRO 56 HB2 PRO 56 -2.069 -18.348 -5.459 397 HB3 PRO 56 HB3 PRO 56 -0.508 -18.102 -6.250 398 HG2 PRO 56 HG2 PRO 56 -1.806 -20.694 -5.402 399 HG3 PRO 56 HG3 PRO 56 -1.013 -20.299 -6.943 400 HD2 PRO 56 HD2 PRO 56 0.257 -21.683 -5.006 401 HD3 PRO 56 HD3 PRO 56 1.134 -20.535 -6.043 402 H LEU 57 H LEU 57 -1.521 -20.618 -3.145 403 HA LEU 57 HA LEU 57 -3.139 -21.130 -1.669 404 HB2 LEU 57 HB2 LEU 57 -2.097 -18.771 -0.041 405 HB3 LEU 57 HB3 LEU 57 -3.012 -20.140 0.577 406 HG LEU 57 HG LEU 57 -0.178 -20.256 -0.540 407 HD11 LEU 57 HD11 LEU 57 0.532 -20.685 1.761 408 HD12 LEU 57 HD12 LEU 57 -1.123 -20.456 2.338 409 HD13 LEU 57 HD13 LEU 57 -0.244 -19.111 1.600 410 HD21 LEU 57 HD21 LEU 57 -1.337 -22.354 -0.984 411 HD22 LEU 57 HD22 LEU 57 -1.829 -22.486 0.706 412 HD23 LEU 57 HD23 LEU 57 -0.120 -22.587 0.269 413 H ARG 58 H ARG 58 -4.647 -20.357 -3.409 414 HA ARG 58 HA ARG 58 -5.938 -17.770 -3.031 415 HB2 ARG 58 HB2 ARG 58 -5.484 -18.714 -5.318 416 HB3 ARG 58 HB3 ARG 58 -6.663 -19.986 -4.990 417 HG2 ARG 58 HG2 ARG 58 -8.424 -18.234 -4.719 418 HG3 ARG 58 HG3 ARG 58 -7.233 -16.997 -5.142 419 HD2 ARG 58 HD2 ARG 58 -8.170 -19.277 -6.923 420 HD3 ARG 58 HD3 ARG 58 -8.624 -17.574 -7.070 421 HE ARG 58 HE ARG 58 -5.787 -18.034 -7.183 422 HH11 ARG 58 HH11 ARG 58 -8.698 -17.931 -9.148 423 HH12 ARG 58 HH12 ARG 58 -7.828 -17.602 -10.612 424 HH21 ARG 58 HH21 ARG 58 -4.683 -17.647 -9.088 425 HH22 ARG 58 HH22 ARG 58 -5.547 -17.463 -10.578 426 H SER 59 H SER 59 -6.608 -21.148 -2.412 427 HA SER 59 HA SER 59 -9.285 -20.549 -1.311 428 HB2 SER 59 HB2 SER 59 -9.173 -22.367 -2.997 429 HB3 SER 59 HB3 SER 59 -7.975 -23.214 -2.020 430 HG SER 59 HG SER 59 -10.715 -22.808 -1.527 431 H GLY 60 H GLY 60 -9.811 -21.184 0.819 432 HA2 GLY 60 HA2 GLY 60 -7.826 -21.262 2.860 433 HA3 GLY 60 HA3 GLY 60 -9.527 -21.678 3.050 434 H LYS 61 H LYS 61 -9.370 -23.701 0.933 435 HA LYS 61 HA LYS 61 -8.563 -26.076 2.214 436 HB2 LYS 61 HB2 LYS 61 -10.215 -25.992 0.392 437 HB3 LYS 61 HB3 LYS 61 -8.976 -25.452 -0.734 438 HG2 LYS 61 HG2 LYS 61 -7.818 -27.626 -0.480 439 HG3 LYS 61 HG3 LYS 61 -9.077 -28.151 0.644 440 HD2 LYS 61 HD2 LYS 61 -10.764 -28.025 -1.123 441 HD3 LYS 61 HD3 LYS 61 -9.573 -27.366 -2.255 442 HE2 LYS 61 HE2 LYS 61 -9.896 -29.736 -2.703 443 HE3 LYS 61 HE3 LYS 61 -8.273 -29.476 -2.068 444 HZ1 LYS 61 HZ1 LYS 61 -9.367 -31.417 -1.111 445 HZ2 LYS 61 HZ2 LYS 61 -10.583 -30.435 -0.471 446 HZ3 LYS 61 HZ3 LYS 61 -8.992 -30.267 0.067 447 H GLU 62 H GLU 62 -6.896 -23.909 -0.071 448 HA GLU 62 HA GLU 62 -4.473 -25.447 -0.293 449 HB2 GLU 62 HB2 GLU 62 -5.051 -22.516 -0.899 450 HB3 GLU 62 HB3 GLU 62 -3.531 -23.324 -1.279 451 HG2 GLU 62 HG2 GLU 62 -4.663 -24.814 -2.842 452 HG3 GLU 62 HG3 GLU 62 -6.235 -24.143 -2.395 453 H ALA 63 H ALA 63 -5.562 -22.746 1.752 454 HA ALA 63 HA ALA 63 -3.075 -22.249 3.086 455 HB1 ALA 63 HB1 ALA 63 -5.909 -21.606 3.998 456 HB2 ALA 63 HB2 ALA 63 -4.901 -20.580 2.978 457 HB3 ALA 63 HB3 ALA 63 -4.424 -20.895 4.647 458 H LYS 64 H LYS 64 -5.349 -24.774 3.374 459 HA LYS 64 HA LYS 64 -5.127 -25.479 6.119 460 HB2 LYS 64 HB2 LYS 64 -7.008 -26.206 4.722 461 HB3 LYS 64 HB3 LYS 64 -5.922 -27.098 3.678 462 HG2 LYS 64 HG2 LYS 64 -7.061 -28.695 5.012 463 HG3 LYS 64 HG3 LYS 64 -5.412 -28.624 5.629 464 HD2 LYS 64 HD2 LYS 64 -7.552 -26.937 6.942 465 HD3 LYS 64 HD3 LYS 64 -7.504 -28.661 7.279 466 HE2 LYS 64 HE2 LYS 64 -5.169 -28.422 8.106 467 HE3 LYS 64 HE3 LYS 64 -5.242 -26.695 7.762 468 HZ1 LYS 64 HZ1 LYS 64 -7.016 -26.487 9.354 469 HZ2 LYS 64 HZ2 LYS 64 -5.634 -27.154 10.065 470 HZ3 LYS 64 HZ3 LYS 64 -6.951 -28.143 9.684 471 H ILE 65 H ILE 65 -3.087 -26.145 3.307 472 HA ILE 65 HA ILE 65 -1.892 -28.550 4.324 473 HB ILE 65 HB ILE 65 -0.325 -28.473 2.478 474 HG12 ILE 65 HG12 ILE 65 -1.285 -25.623 1.961 475 HG13 ILE 65 HG13 ILE 65 0.314 -26.098 2.510 476 HG21 ILE 65 HG21 ILE 65 -1.907 -28.407 0.572 477 HG22 ILE 65 HG22 ILE 65 -3.088 -27.570 1.580 478 HG23 ILE 65 HG23 ILE 65 -2.608 -29.224 1.972 479 HD11 ILE 65 HD11 ILE 65 0.342 -25.503 0.175 480 HD12 ILE 65 HD12 ILE 65 -0.896 -26.706 -0.179 481 HD13 ILE 65 HD13 ILE 65 0.705 -27.219 0.365 482 H LEU 66 H LEU 66 -1.450 -25.344 5.263 483 HA LEU 66 HA LEU 66 1.288 -25.797 6.263 484 HB2 LEU 66 HB2 LEU 66 -0.311 -23.202 6.307 485 HB3 LEU 66 HB3 LEU 66 1.377 -23.412 6.740 486 HG LEU 66 HG LEU 66 1.606 -24.224 4.205 487 HD11 LEU 66 HD11 LEU 66 0.124 -23.051 2.660 488 HD12 LEU 66 HD12 LEU 66 -0.843 -22.447 4.008 489 HD13 LEU 66 HD13 LEU 66 -0.782 -24.180 3.670 490 HD21 LEU 66 HD21 LEU 66 2.775 -22.314 5.183 491 HD22 LEU 66 HD22 LEU 66 1.355 -21.298 4.935 492 HD23 LEU 66 HD23 LEU 66 2.222 -21.959 3.547 493 H GLN 67 H GLN 67 1.359 -26.695 8.193 494 HA GLN 67 HA GLN 67 -0.723 -26.654 10.157 495 HB2 GLN 67 HB2 GLN 67 0.836 -28.554 9.862 496 HB3 GLN 67 HB3 GLN 67 2.192 -27.534 10.323 497 HG2 GLN 67 HG2 GLN 67 1.340 -27.355 12.597 498 HG3 GLN 67 HG3 GLN 67 -0.113 -28.256 12.158 499 HE21 GLN 67 HE21 GLN 67 0.320 -29.826 13.735 500 HE22 GLN 67 HE22 GLN 67 1.570 -31.005 13.550 501 H HIS 68 H HIS 68 1.912 -24.523 9.398 502 HA HIS 68 HA HIS 68 2.336 -23.171 11.823 503 HB2 HIS 68 HB2 HIS 68 2.525 -22.218 8.954 504 HB3 HIS 68 HB3 HIS 68 2.900 -21.152 10.303 505 HD1 HIS 68 HD1 HIS 68 4.810 -22.268 12.005 506 HD2 HIS 68 HD2 HIS 68 4.718 -23.536 8.042 507 HE1 HIS 68 HE1 HIS 68 7.073 -23.279 11.569 508 HE2 HIS 68 HE2 HIS 68 6.899 -24.234 9.246 509 H PHE 69 H PHE 69 -0.257 -22.849 9.456 510 HA PHE 69 HA PHE 69 -1.561 -20.633 10.679 511 HB2 PHE 69 HB2 PHE 69 -2.536 -22.762 8.707 512 HB3 PHE 69 HB3 PHE 69 -3.548 -21.433 9.263 513 HD1 PHE 69 HD1 PHE 69 0.076 -21.404 8.200 514 HD2 PHE 69 HD2 PHE 69 -3.900 -20.078 7.349 515 HE1 PHE 69 HE1 PHE 69 0.921 -20.008 6.364 516 HE2 PHE 69 HE2 PHE 69 -3.033 -18.702 5.513 517 HZ PHE 69 HZ PHE 69 -0.631 -18.663 5.018 518 H GLY 70 H GLY 70 -2.633 -24.048 10.463 519 HA2 GLY 70 HA2 GLY 70 -3.141 -25.362 12.445 520 HA3 GLY 70 HA3 GLY 70 -3.684 -23.893 13.244 521 H ASP 71 H ASP 71 -5.403 -25.855 13.412 522 HA ASP 71 HA ASP 71 -7.063 -26.415 11.201 523 HB2 ASP 71 HB2 ASP 71 -7.054 -27.939 13.071 524 HB3 ASP 71 HB3 ASP 71 -7.529 -26.666 14.187 525 H ARG 72 H ARG 72 -7.770 -24.366 14.032 526 HA ARG 72 HA ARG 72 -10.235 -23.332 13.085 527 HB2 ARG 72 HB2 ARG 72 -8.351 -22.239 15.219 528 HB3 ARG 72 HB3 ARG 72 -10.034 -21.746 15.004 529 HG2 ARG 72 HG2 ARG 72 -10.807 -23.997 15.582 530 HG3 ARG 72 HG3 ARG 72 -9.140 -24.576 15.663 531 HD2 ARG 72 HD2 ARG 72 -8.692 -23.096 17.565 532 HD3 ARG 72 HD3 ARG 72 -10.342 -22.459 17.484 533 HE ARG 72 HE ARG 72 -10.746 -25.122 17.759 534 HH11 ARG 72 HH11 ARG 72 -8.737 -22.900 19.586 535 HH12 ARG 72 HH12 ARG 72 -8.959 -23.740 21.085 536 HH21 ARG 72 HH21 ARG 72 -11.026 -26.211 19.716 537 HH22 ARG 72 HH22 ARG 72 -10.267 -25.622 21.159 538 H LEU 73 H LEU 73 -6.917 -22.233 12.820 539 HA LEU 73 HA LEU 73 -7.298 -19.564 11.951 540 HB2 LEU 73 HB2 LEU 73 -5.141 -20.863 12.736 541 HB3 LEU 73 HB3 LEU 73 -4.988 -21.328 11.064 542 HG LEU 73 HG LEU 73 -3.483 -19.501 11.551 543 HD11 LEU 73 HD11 LEU 73 -4.075 -17.826 9.888 544 HD12 LEU 73 HD12 LEU 73 -5.727 -18.452 9.828 545 HD13 LEU 73 HD13 LEU 73 -4.377 -19.465 9.314 546 HD21 LEU 73 HD21 LEU 73 -5.869 -17.882 12.453 547 HD22 LEU 73 HD22 LEU 73 -4.201 -17.309 12.316 548 HD23 LEU 73 HD23 LEU 73 -4.605 -18.568 13.478 549 H CYS 74 H CYS 74 -6.773 -22.605 10.121 550 HA CYS 74 HA CYS 74 -6.960 -21.536 7.518 551 HB2 CYS 74 HB2 CYS 74 -7.572 -24.351 8.491 552 HB3 CYS 74 HB3 CYS 74 -7.368 -23.897 6.798 553 HG CYS 74 HG CYS 74 -4.680 -23.055 7.199 554 H ARG 75 H ARG 75 -9.433 -22.628 9.795 555 HA ARG 75 HA ARG 75 -11.683 -22.551 8.036 556 HB2 ARG 75 HB2 ARG 75 -11.624 -22.203 11.070 557 HB3 ARG 75 HB3 ARG 75 -13.064 -22.510 10.098 558 HG2 ARG 75 HG2 ARG 75 -12.204 -24.716 9.461 559 HG3 ARG 75 HG3 ARG 75 -10.714 -24.418 10.362 560 HD2 ARG 75 HD2 ARG 75 -12.110 -24.199 12.446 561 HD3 ARG 75 HD3 ARG 75 -13.519 -24.677 11.491 562 HE ARG 75 HE ARG 75 -11.146 -26.425 11.748 563 HH11 ARG 75 HH11 ARG 75 -14.634 -26.011 12.038 564 HH12 ARG 75 HH12 ARG 75 -14.900 -27.666 12.491 565 HH21 ARG 75 HH21 ARG 75 -11.506 -28.539 12.359 566 HH22 ARG 75 HH22 ARG 75 -13.122 -29.102 12.669 567 H MET 76 H MET 76 -10.176 -20.105 10.185 568 HA MET 76 HA MET 76 -12.108 -18.064 9.956 569 HB2 MET 76 HB2 MET 76 -9.091 -17.767 10.315 570 HB3 MET 76 HB3 MET 76 -10.255 -16.470 10.548 571 HG2 MET 76 HG2 MET 76 -11.277 -17.764 12.408 572 HG3 MET 76 HG3 MET 76 -10.049 -19.004 12.193 573 HE1 MET 76 HE1 MET 76 -9.183 -14.702 13.656 574 HE2 MET 76 HE2 MET 76 -10.799 -15.324 13.326 575 HE3 MET 76 HE3 MET 76 -9.669 -15.054 11.998 576 H LEU 77 H LEU 77 -9.173 -18.666 8.046 577 HA LEU 77 HA LEU 77 -9.556 -16.574 6.160 578 HB2 LEU 77 HB2 LEU 77 -7.792 -19.023 6.271 579 HB3 LEU 77 HB3 LEU 77 -7.897 -18.117 4.772 580 HG LEU 77 HG LEU 77 -7.049 -16.091 5.892 581 HD11 LEU 77 HD11 LEU 77 -7.901 -16.395 8.143 582 HD12 LEU 77 HD12 LEU 77 -6.160 -16.137 8.179 583 HD13 LEU 77 HD13 LEU 77 -6.814 -17.762 8.405 584 HD21 LEU 77 HD21 LEU 77 -4.733 -16.813 6.235 585 HD22 LEU 77 HD22 LEU 77 -5.446 -17.613 4.835 586 HD23 LEU 77 HD23 LEU 77 -5.257 -18.495 6.354 587 H ASP 78 H ASP 78 -10.581 -19.972 6.203 588 HA ASP 78 HA ASP 78 -11.253 -20.213 3.431 589 HB2 ASP 78 HB2 ASP 78 -10.798 -22.158 4.968 590 HB3 ASP 78 HB3 ASP 78 -12.319 -21.833 5.788 591 H GLU 79 H GLU 79 -13.235 -19.710 6.356 592 HA GLU 79 HA GLU 79 -15.764 -19.485 5.125 593 HB2 GLU 79 HB2 GLU 79 -14.787 -18.295 7.758 594 HB3 GLU 79 HB3 GLU 79 -16.478 -18.376 7.258 595 HG2 GLU 79 HG2 GLU 79 -16.299 -20.859 7.215 596 HG3 GLU 79 HG3 GLU 79 -14.645 -20.723 7.807 597 H LYS 80 H LYS 80 -13.468 -16.972 6.253 598 HA LYS 80 HA LYS 80 -14.906 -14.707 5.478 599 HB2 LYS 80 HB2 LYS 80 -12.014 -15.258 6.068 600 HB3 LYS 80 HB3 LYS 80 -12.362 -13.762 5.214 601 HG2 LYS 80 HG2 LYS 80 -13.701 -14.539 7.818 602 HG3 LYS 80 HG3 LYS 80 -12.237 -13.559 7.728 603 HD2 LYS 80 HD2 LYS 80 -14.943 -12.835 6.512 604 HD3 LYS 80 HD3 LYS 80 -14.264 -12.148 7.990 605 HE2 LYS 80 HE2 LYS 80 -12.438 -11.124 6.717 606 HE3 LYS 80 HE3 LYS 80 -12.993 -11.905 5.237 607 HZ1 LYS 80 HZ1 LYS 80 -14.514 -9.889 6.780 608 HZ2 LYS 80 HZ2 LYS 80 -14.985 -10.592 5.317 609 HZ3 LYS 80 HZ3 LYS 80 -13.631 -9.593 5.374 610 H LEU 81 H LEU 81 -12.528 -16.580 3.598 611 HA LEU 81 HA LEU 81 -12.450 -15.044 1.259 612 HB2 LEU 81 HB2 LEU 81 -10.934 -16.963 1.856 613 HB3 LEU 81 HB3 LEU 81 -12.224 -18.080 1.492 614 HG LEU 81 HG LEU 81 -10.313 -17.767 -0.234 615 HD11 LEU 81 HD11 LEU 81 -13.156 -17.596 -1.233 616 HD12 LEU 81 HD12 LEU 81 -12.293 -19.053 -0.743 617 HD13 LEU 81 HD13 LEU 81 -11.751 -18.150 -2.152 618 HD21 LEU 81 HD21 LEU 81 -10.264 -15.325 -0.227 619 HD22 LEU 81 HD22 LEU 81 -11.884 -15.270 -0.930 620 HD23 LEU 81 HD23 LEU 81 -10.540 -15.959 -1.847 621 H LYS 82 H LYS 82 -14.527 -17.777 2.117 622 HA LYS 82 HA LYS 82 -16.135 -17.917 -0.173 623 HB2 LYS 82 HB2 LYS 82 -16.086 -19.786 1.290 624 HB3 LYS 82 HB3 LYS 82 -16.455 -18.819 2.707 625 HG2 LYS 82 HG2 LYS 82 -18.585 -18.965 0.603 626 HG3 LYS 82 HG3 LYS 82 -18.246 -20.455 1.490 627 HD2 LYS 82 HD2 LYS 82 -18.669 -19.262 3.633 628 HD3 LYS 82 HD3 LYS 82 -19.024 -17.780 2.741 629 HE2 LYS 82 HE2 LYS 82 -20.960 -18.871 1.684 630 HE3 LYS 82 HE3 LYS 82 -20.579 -20.382 2.518 631 HZ1 LYS 82 HZ1 LYS 82 -21.268 -17.826 3.846 632 HZ2 LYS 82 HZ2 LYS 82 -20.967 -19.299 4.617 633 HZ3 LYS 82 HZ3 LYS 82 -22.316 -19.126 3.619 634 H GLN 83 H GLN 83 -16.490 -15.961 2.781 635 HA GLN 83 HA GLN 83 -19.167 -15.026 2.203 636 HB2 GLN 83 HB2 GLN 83 -17.112 -14.083 4.244 637 HB3 GLN 83 HB3 GLN 83 -18.779 -13.515 4.167 638 HG2 GLN 83 HG2 GLN 83 -19.600 -15.740 4.683 639 HG3 GLN 83 HG3 GLN 83 -17.968 -16.390 4.666 640 HE21 GLN 83 HE21 GLN 83 -16.529 -15.820 6.351 641 HE22 GLN 83 HE22 GLN 83 -17.101 -15.216 7.861 642 H HIS 84 H HIS 84 -15.905 -14.012 1.604 643 HA HIS 84 HA HIS 84 -16.404 -11.261 0.998 644 HB2 HIS 84 HB2 HIS 84 -14.178 -12.080 1.762 645 HB3 HIS 84 HB3 HIS 84 -14.011 -13.028 0.285 646 HD1 HIS 84 HD1 HIS 84 -14.557 -9.384 1.252 647 HD2 HIS 84 HD2 HIS 84 -12.658 -11.662 -1.659 648 HE1 HIS 84 HE1 HIS 84 -13.435 -7.733 -0.259 649 HE2 HIS 84 HE2 HIS 84 -12.435 -9.121 -2.104 650 H LEU 85 H LEU 85 -16.258 -14.269 -0.837 651 HA LEU 85 HA LEU 85 -16.516 -13.049 -3.444 652 HB2 LEU 85 HB2 LEU 85 -17.045 -15.919 -2.565 653 HB3 LEU 85 HB3 LEU 85 -16.915 -15.369 -4.230 654 HG LEU 85 HG LEU 85 -14.670 -15.394 -2.177 655 HD11 LEU 85 HD11 LEU 85 -13.669 -17.144 -3.565 656 HD12 LEU 85 HD12 LEU 85 -15.092 -17.145 -4.611 657 HD13 LEU 85 HD13 LEU 85 -15.234 -17.628 -2.919 658 HD21 LEU 85 HD21 LEU 85 -14.568 -14.540 -5.086 659 HD22 LEU 85 HD22 LEU 85 -13.177 -14.722 -4.012 660 HD23 LEU 85 HD23 LEU 85 -14.392 -13.495 -3.673 661 H ALA 86 H ALA 86 -18.688 -14.416 -1.002 662 HA ALA 86 HA ALA 86 -21.044 -14.533 -2.622 663 HB1 ALA 86 HB1 ALA 86 -22.209 -15.073 -0.527 664 HB2 ALA 86 HB2 ALA 86 -20.798 -14.567 0.409 665 HB3 ALA 86 HB3 ALA 86 -20.695 -15.981 -0.643 666 H SER 87 H SER 87 -19.936 -12.262 -0.108 667 HA SER 87 HA SER 87 -22.216 -10.480 -0.479 668 HB2 SER 87 HB2 SER 87 -21.253 -11.032 1.806 669 HB3 SER 87 HB3 SER 87 -19.818 -10.104 1.378 670 HG SER 87 HG SER 87 -22.236 -8.810 0.978 671 H GLY 88 H GLY 88 -18.812 -10.638 -1.361 672 HA2 GLY 88 HA2 GLY 88 -17.845 -9.530 -3.193 673 HA3 GLY 88 HA3 GLY 88 -19.124 -8.328 -3.160 674 H GLY 89 H GLY 89 -19.083 -7.286 -0.716 675 HA2 GLY 89 HA2 GLY 89 -16.816 -5.530 -0.832 676 HA3 GLY 89 HA3 GLY 89 -18.145 -5.473 0.315 677 H ASP 90 H ASP 90 -18.083 -7.407 1.918 678 HA ASP 90 HA ASP 90 -15.361 -7.481 3.091 679 HB2 ASP 90 HB2 ASP 90 -17.024 -6.286 4.488 680 HB3 ASP 90 HB3 ASP 90 -18.063 -7.708 4.495 Start of MODEL 4 1 H ARG 11 H ARG 11 15.151 -10.283 0.484 2 HA ARG 11 HA ARG 11 13.188 -9.009 1.048 3 HB2 ARG 11 HB2 ARG 11 14.423 -6.909 -0.800 4 HB3 ARG 11 HB3 ARG 11 12.745 -6.890 -0.278 5 HG2 ARG 11 HG2 ARG 11 13.881 -5.299 1.059 6 HG3 ARG 11 HG3 ARG 11 13.580 -6.681 2.111 7 HD2 ARG 11 HD2 ARG 11 15.848 -5.694 2.410 8 HD3 ARG 11 HD3 ARG 11 15.897 -7.387 1.916 9 HE ARG 11 HE ARG 11 16.115 -6.115 -0.445 10 HH11 ARG 11 HH11 ARG 11 17.883 -5.644 2.555 11 HH12 ARG 11 HH12 ARG 11 19.344 -5.188 1.748 12 HH21 ARG 11 HH21 ARG 11 18.041 -5.534 -1.472 13 HH22 ARG 11 HH22 ARG 11 19.433 -5.129 -0.520 14 HA PRO 12 HA PRO 12 12.170 -11.343 -2.782 15 HB2 PRO 12 HB2 PRO 12 9.487 -11.712 -2.220 16 HB3 PRO 12 HB3 PRO 12 10.773 -12.734 -1.558 17 HG2 PRO 12 HG2 PRO 12 9.360 -10.398 -0.268 18 HG3 PRO 12 HG3 PRO 12 9.773 -11.975 0.438 19 HD2 PRO 12 HD2 PRO 12 11.270 -9.760 0.920 20 HD3 PRO 12 HD3 PRO 12 12.014 -11.371 0.790 21 H LEU 13 H LEU 13 11.512 -10.541 -4.731 22 HA LEU 13 HA LEU 13 10.735 -7.859 -5.116 23 HB2 LEU 13 HB2 LEU 13 10.509 -10.241 -6.994 24 HB3 LEU 13 HB3 LEU 13 10.305 -8.568 -7.493 25 HG LEU 13 HG LEU 13 12.903 -9.756 -6.401 26 HD11 LEU 13 HD11 LEU 13 12.163 -9.061 -9.268 27 HD12 LEU 13 HD12 LEU 13 12.357 -10.685 -8.600 28 HD13 LEU 13 HD13 LEU 13 13.746 -9.608 -8.700 29 HD21 LEU 13 HD21 LEU 13 13.950 -7.641 -7.129 30 HD22 LEU 13 HD22 LEU 13 12.730 -7.367 -5.890 31 HD23 LEU 13 HD23 LEU 13 12.366 -7.000 -7.578 32 HA PRO 14 HA PRO 14 6.275 -8.425 -4.221 33 HB2 PRO 14 HB2 PRO 14 5.470 -5.855 -4.802 34 HB3 PRO 14 HB3 PRO 14 6.252 -6.303 -3.279 35 HG2 PRO 14 HG2 PRO 14 7.472 -5.052 -5.739 36 HG3 PRO 14 HG3 PRO 14 7.730 -4.638 -4.031 37 HD2 PRO 14 HD2 PRO 14 9.501 -6.151 -5.434 38 HD3 PRO 14 HD3 PRO 14 9.222 -6.404 -3.695 39 H VAL 15 H VAL 15 6.324 -9.894 -6.067 40 HA VAL 15 HA VAL 15 4.710 -8.878 -8.306 41 HB VAL 15 HB VAL 15 6.928 -9.099 -9.273 42 HG11 VAL 15 HG11 VAL 15 8.235 -11.207 -9.301 43 HG12 VAL 15 HG12 VAL 15 7.045 -11.942 -8.223 44 HG13 VAL 15 HG13 VAL 15 8.012 -10.578 -7.664 45 HG21 VAL 15 HG21 VAL 15 6.503 -10.709 -11.104 46 HG22 VAL 15 HG22 VAL 15 5.048 -9.791 -10.709 47 HG23 VAL 15 HG23 VAL 15 5.219 -11.455 -10.149 48 H CYS 16 H CYS 16 3.067 -9.535 -6.913 49 HA CYS 16 HA CYS 16 2.240 -12.329 -7.222 50 HB2 CYS 16 HB2 CYS 16 2.325 -10.904 -4.514 51 HB3 CYS 16 HB3 CYS 16 1.553 -12.459 -4.816 52 HG CYS 16 HG CYS 16 4.397 -13.133 -5.878 53 HA PRO 17 HA PRO 17 -1.696 -10.177 -7.890 54 HB2 PRO 17 HB2 PRO 17 -3.494 -12.173 -7.500 55 HB3 PRO 17 HB3 PRO 17 -2.411 -12.154 -8.902 56 HG2 PRO 17 HG2 PRO 17 -2.098 -13.656 -6.293 57 HG3 PRO 17 HG3 PRO 17 -1.915 -14.270 -7.951 58 HD2 PRO 17 HD2 PRO 17 0.229 -13.543 -6.446 59 HD3 PRO 17 HD3 PRO 17 0.206 -13.310 -8.208 60 H ASN 18 H ASN 18 -0.518 -10.931 -4.924 61 HA ASN 18 HA ASN 18 -0.907 -10.439 -2.795 62 HB2 ASN 18 HB2 ASN 18 -2.874 -8.431 -3.963 63 HB3 ASN 18 HB3 ASN 18 -2.351 -8.439 -2.282 64 HD21 ASN 18 HD21 ASN 18 -2.076 -6.317 -4.219 65 HD22 ASN 18 HD22 ASN 18 -0.385 -6.000 -4.375 66 HA PRO 19 HA PRO 19 -4.435 -13.521 -2.602 67 HB2 PRO 19 HB2 PRO 19 -2.683 -14.305 -0.253 68 HB3 PRO 19 HB3 PRO 19 -3.507 -15.330 -1.441 69 HG2 PRO 19 HG2 PRO 19 -0.875 -14.930 -1.609 70 HG3 PRO 19 HG3 PRO 19 -1.874 -14.989 -3.077 71 HD2 PRO 19 HD2 PRO 19 -0.690 -12.594 -1.681 72 HD3 PRO 19 HD3 PRO 19 -0.878 -12.913 -3.424 73 H LEU 20 H LEU 20 -6.221 -13.186 -1.315 74 HA LEU 20 HA LEU 20 -6.460 -10.811 0.126 75 HB2 LEU 20 HB2 LEU 20 -8.233 -13.282 0.154 76 HB3 LEU 20 HB3 LEU 20 -8.698 -11.730 0.839 77 HG LEU 20 HG LEU 20 -8.092 -12.241 -2.107 78 HD11 LEU 20 HD11 LEU 20 -10.188 -13.282 -1.450 79 HD12 LEU 20 HD12 LEU 20 -10.483 -11.898 -2.496 80 HD13 LEU 20 HD13 LEU 20 -10.765 -11.763 -0.755 81 HD21 LEU 20 HD21 LEU 20 -8.902 -9.952 -2.496 82 HD22 LEU 20 HD22 LEU 20 -7.471 -9.970 -1.470 83 HD23 LEU 20 HD23 LEU 20 -9.063 -9.701 -0.754 84 H PHE 21 H PHE 21 -5.422 -13.956 1.223 85 HA PHE 21 HA PHE 21 -5.962 -13.577 4.015 86 HB2 PHE 21 HB2 PHE 21 -4.027 -15.544 2.733 87 HB3 PHE 21 HB3 PHE 21 -4.743 -15.662 4.342 88 HD1 PHE 21 HD1 PHE 21 -7.562 -15.069 3.895 89 HD2 PHE 21 HD2 PHE 21 -4.865 -17.348 1.497 90 HE1 PHE 21 HE1 PHE 21 -9.444 -16.326 2.967 91 HE2 PHE 21 HE2 PHE 21 -6.757 -18.589 0.580 92 HZ PHE 21 HZ PHE 21 -9.043 -18.090 1.309 93 H VAL 22 H VAL 22 -3.264 -12.621 1.930 94 HA VAL 22 HA VAL 22 -1.312 -12.478 4.017 95 HB VAL 22 HB VAL 22 0.155 -11.292 2.551 96 HG11 VAL 22 HG11 VAL 22 0.184 -12.709 0.516 97 HG12 VAL 22 HG12 VAL 22 -1.446 -13.273 0.892 98 HG13 VAL 22 HG13 VAL 22 -0.109 -13.644 1.983 99 HG21 VAL 22 HG21 VAL 22 -2.171 -10.665 0.690 100 HG22 VAL 22 HG22 VAL 22 -0.477 -10.317 0.354 101 HG23 VAL 22 HG23 VAL 22 -1.293 -9.510 1.691 102 H ARG 23 H ARG 23 -3.592 -10.122 2.639 103 HA ARG 23 HA ARG 23 -2.752 -7.942 4.324 104 HB2 ARG 23 HB2 ARG 23 -4.717 -6.735 3.399 105 HB3 ARG 23 HB3 ARG 23 -3.724 -7.450 2.134 106 HG2 ARG 23 HG2 ARG 23 -5.366 -9.307 1.910 107 HG3 ARG 23 HG3 ARG 23 -6.375 -8.552 3.147 108 HD2 ARG 23 HD2 ARG 23 -5.631 -7.322 0.472 109 HD3 ARG 23 HD3 ARG 23 -7.181 -8.075 0.856 110 HE ARG 23 HE ARG 23 -7.407 -6.284 2.612 111 HH11 ARG 23 HH11 ARG 23 -5.403 -5.660 -0.211 112 HH12 ARG 23 HH12 ARG 23 -5.709 -3.960 -0.189 113 HH21 ARG 23 HH21 ARG 23 -7.780 -4.050 2.618 114 HH22 ARG 23 HH22 ARG 23 -7.065 -3.051 1.402 115 H TRP 24 H TRP 24 -5.229 -10.464 4.456 116 HA TRP 24 HA TRP 24 -6.703 -9.332 6.627 117 HB2 TRP 24 HB2 TRP 24 -6.701 -12.135 5.446 118 HB3 TRP 24 HB3 TRP 24 -7.752 -11.658 6.775 119 HD1 TRP 24 HD1 TRP 24 -8.020 -8.640 5.025 120 HE1 TRP 24 HE1 TRP 24 -9.870 -8.609 3.255 121 HE3 TRP 24 HE3 TRP 24 -8.814 -13.685 4.538 122 HZ2 TRP 24 HZ2 TRP 24 -11.465 -10.426 1.843 123 HZ3 TRP 24 HZ3 TRP 24 -10.534 -14.444 2.957 124 HH2 TRP 24 HH2 TRP 24 -11.837 -12.852 1.632 125 H LEU 25 H LEU 25 -4.113 -11.812 6.484 126 HA LEU 25 HA LEU 25 -4.150 -12.402 9.279 127 HB2 LEU 25 HB2 LEU 25 -2.034 -12.867 7.147 128 HB3 LEU 25 HB3 LEU 25 -1.801 -13.360 8.820 129 HG LEU 25 HG LEU 25 -4.012 -14.386 6.985 130 HD11 LEU 25 HD11 LEU 25 -1.488 -15.796 7.915 131 HD12 LEU 25 HD12 LEU 25 -1.833 -15.224 6.279 132 HD13 LEU 25 HD13 LEU 25 -2.804 -16.515 6.977 133 HD21 LEU 25 HD21 LEU 25 -4.735 -14.350 9.314 134 HD22 LEU 25 HD22 LEU 25 -3.283 -15.222 9.814 135 HD23 LEU 25 HD23 LEU 25 -4.480 -16.012 8.779 136 H THR 26 H THR 26 -2.362 -10.041 7.288 137 HA THR 26 HA THR 26 -0.662 -9.014 9.289 138 HB THR 26 HB THR 26 -1.829 -7.576 6.866 139 HG1 THR 26 HG1 THR 26 -0.418 -8.783 5.869 140 HG21 THR 26 HG21 THR 26 -1.015 -5.919 8.518 141 HG22 THR 26 HG22 THR 26 0.053 -5.976 7.112 142 HG23 THR 26 HG23 THR 26 0.528 -6.771 8.616 143 H GLU 27 H GLU 27 -3.970 -8.002 8.309 144 HA GLU 27 HA GLU 27 -4.018 -5.751 10.065 145 HB2 GLU 27 HB2 GLU 27 -6.354 -5.436 9.448 146 HB3 GLU 27 HB3 GLU 27 -5.393 -5.786 8.014 147 HG2 GLU 27 HG2 GLU 27 -6.223 -8.131 8.067 148 HG3 GLU 27 HG3 GLU 27 -7.231 -7.732 9.454 149 H TRP 28 H TRP 28 -5.486 -9.037 10.297 150 HA TRP 28 HA TRP 28 -6.876 -8.633 12.722 151 HB2 TRP 28 HB2 TRP 28 -5.761 -11.212 11.560 152 HB3 TRP 28 HB3 TRP 28 -6.846 -11.145 12.945 153 HD1 TRP 28 HD1 TRP 28 -8.913 -8.961 11.597 154 HE1 TRP 28 HE1 TRP 28 -10.522 -9.859 9.802 155 HE3 TRP 28 HE3 TRP 28 -6.372 -13.179 10.291 156 HZ2 TRP 28 HZ2 TRP 28 -10.676 -12.064 8.059 157 HZ3 TRP 28 HZ3 TRP 28 -7.312 -14.630 8.560 158 HH2 TRP 28 HH2 TRP 28 -9.426 -14.097 7.460 159 H ARG 29 H ARG 29 -3.585 -9.736 12.030 160 HA ARG 29 HA ARG 29 -2.667 -10.392 14.582 161 HB2 ARG 29 HB2 ARG 29 -1.266 -10.842 12.683 162 HB3 ARG 29 HB3 ARG 29 -1.297 -9.157 12.173 163 HG2 ARG 29 HG2 ARG 29 -0.002 -8.610 14.310 164 HG3 ARG 29 HG3 ARG 29 0.206 -10.355 14.525 165 HD2 ARG 29 HD2 ARG 29 1.457 -10.529 12.485 166 HD3 ARG 29 HD3 ARG 29 1.035 -8.882 11.999 167 HE ARG 29 HE ARG 29 2.997 -9.686 14.022 168 HH11 ARG 29 HH11 ARG 29 1.408 -7.037 12.357 169 HH12 ARG 29 HH12 ARG 29 2.636 -5.887 12.766 170 HH21 ARG 29 HH21 ARG 29 4.607 -8.183 14.526 171 HH22 ARG 29 HH22 ARG 29 4.445 -6.544 14.000 172 H ASP 30 H ASP 30 -2.565 -7.229 12.923 173 HA ASP 30 HA ASP 30 -1.282 -5.913 15.144 174 HB2 ASP 30 HB2 ASP 30 -0.831 -5.340 12.763 175 HB3 ASP 30 HB3 ASP 30 -2.476 -4.745 12.590 176 H GLU 31 H GLU 31 -4.613 -6.215 14.022 177 HA GLU 31 HA GLU 31 -5.806 -4.221 15.687 178 HB2 GLU 31 HB2 GLU 31 -6.987 -6.736 14.417 179 HB3 GLU 31 HB3 GLU 31 -7.943 -5.552 15.299 180 HG2 GLU 31 HG2 GLU 31 -6.433 -5.074 12.711 181 HG3 GLU 31 HG3 GLU 31 -8.177 -5.247 12.887 182 H ALA 32 H ALA 32 -5.380 -7.736 15.959 183 HA ALA 32 HA ALA 32 -6.503 -8.055 18.549 184 HB1 ALA 32 HB1 ALA 32 -5.480 -10.313 18.464 185 HB2 ALA 32 HB2 ALA 32 -4.551 -9.837 17.040 186 HB3 ALA 32 HB3 ALA 32 -6.313 -9.917 16.963 187 H ALA 33 H ALA 33 -3.299 -7.201 17.425 188 HA ALA 33 HA ALA 33 -1.823 -7.620 19.830 189 HB1 ALA 33 HB1 ALA 33 -0.108 -6.185 18.763 190 HB2 ALA 33 HB2 ALA 33 -1.269 -5.724 17.513 191 HB3 ALA 33 HB3 ALA 33 -0.721 -7.398 17.638 192 H SER 34 H SER 34 -3.428 -4.767 18.401 193 HA SER 34 HA SER 34 -2.843 -3.000 20.611 194 HB2 SER 34 HB2 SER 34 -3.173 -2.221 18.234 195 HB3 SER 34 HB3 SER 34 -4.883 -2.639 18.364 196 HG SER 34 HG SER 34 -5.216 -0.925 19.567 197 H ARG 35 H ARG 35 -5.268 -5.362 19.952 198 HA ARG 35 HA ARG 35 -7.247 -4.327 21.824 199 HB2 ARG 35 HB2 ARG 35 -7.818 -5.613 19.673 200 HB3 ARG 35 HB3 ARG 35 -7.208 -7.063 20.461 201 HG2 ARG 35 HG2 ARG 35 -9.637 -6.997 20.612 202 HG3 ARG 35 HG3 ARG 35 -8.948 -6.814 22.229 203 HD2 ARG 35 HD2 ARG 35 -9.269 -4.360 22.058 204 HD3 ARG 35 HD3 ARG 35 -10.000 -4.574 20.465 205 HE ARG 35 HE ARG 35 -11.369 -6.134 22.398 206 HH11 ARG 35 HH11 ARG 35 -11.056 -2.806 21.311 207 HH12 ARG 35 HH12 ARG 35 -12.576 -2.320 21.985 208 HH21 ARG 35 HH21 ARG 35 -13.344 -5.474 23.270 209 HH22 ARG 35 HH22 ARG 35 -13.871 -3.829 23.094 210 H GLY 36 H GLY 36 -4.500 -6.471 21.851 211 HA2 GLY 36 HA2 GLY 36 -3.425 -7.499 23.639 212 HA3 GLY 36 HA3 GLY 36 -4.758 -7.048 24.696 213 H ARG 37 H ARG 37 -4.059 -9.142 21.922 214 HA ARG 37 HA ARG 37 -5.691 -11.329 23.068 215 HB2 ARG 37 HB2 ARG 37 -5.691 -10.289 20.214 216 HB3 ARG 37 HB3 ARG 37 -6.343 -11.863 20.646 217 HG2 ARG 37 HG2 ARG 37 -8.070 -10.836 22.004 218 HG3 ARG 37 HG3 ARG 37 -7.349 -9.236 21.777 219 HD2 ARG 37 HD2 ARG 37 -9.384 -9.722 20.346 220 HD3 ARG 37 HD3 ARG 37 -7.961 -9.189 19.457 221 HE ARG 37 HE ARG 37 -7.599 -11.610 18.944 222 HH11 ARG 37 HH11 ARG 37 -10.858 -10.490 19.597 223 HH12 ARG 37 HH12 ARG 37 -11.587 -11.709 18.611 224 HH21 ARG 37 HH21 ARG 37 -8.578 -13.187 17.671 225 HH22 ARG 37 HH22 ARG 37 -10.302 -13.228 17.515 226 H HIS 38 H HIS 38 -4.805 -13.339 22.905 227 HA HIS 38 HA HIS 38 -2.067 -13.673 22.153 228 HB2 HIS 38 HB2 HIS 38 -2.402 -16.064 22.730 229 HB3 HIS 38 HB3 HIS 38 -2.979 -14.982 23.989 230 HD1 HIS 38 HD1 HIS 38 -5.317 -15.360 24.798 231 HD2 HIS 38 HD2 HIS 38 -4.601 -17.267 21.173 232 HE1 HIS 38 HE1 HIS 38 -7.351 -16.774 24.355 233 HE2 HIS 38 HE2 HIS 38 -6.954 -17.808 22.103 234 H THR 39 H THR 39 -5.033 -13.930 20.432 235 HA THR 39 HA THR 39 -4.254 -15.738 18.383 236 HB THR 39 HB THR 39 -6.161 -14.606 17.057 237 HG1 THR 39 HG1 THR 39 -7.004 -13.511 19.500 238 HG21 THR 39 HG21 THR 39 -6.790 -15.788 19.793 239 HG22 THR 39 HG22 THR 39 -6.505 -16.708 18.312 240 HG23 THR 39 HG23 THR 39 -7.921 -15.661 18.444 241 H ARG 40 H ARG 40 -3.369 -12.419 18.928 242 HA ARG 40 HA ARG 40 -2.808 -11.628 16.271 243 HB2 ARG 40 HB2 ARG 40 -1.567 -9.829 17.151 244 HB3 ARG 40 HB3 ARG 40 -2.776 -10.151 18.372 245 HG2 ARG 40 HG2 ARG 40 -1.031 -9.963 19.818 246 HG3 ARG 40 HG3 ARG 40 -0.692 -11.631 19.366 247 HD2 ARG 40 HD2 ARG 40 0.967 -10.902 17.739 248 HD3 ARG 40 HD3 ARG 40 0.543 -9.208 18.013 249 HE ARG 40 HE ARG 40 1.276 -10.234 20.483 250 HH11 ARG 40 HH11 ARG 40 2.893 -9.801 17.395 251 HH12 ARG 40 HH12 ARG 40 4.440 -9.525 18.122 252 HH21 ARG 40 HH21 ARG 40 3.309 -9.855 21.401 253 HH22 ARG 40 HH22 ARG 40 4.678 -9.561 20.378 254 H PHE 41 H PHE 41 -1.150 -13.728 18.509 255 HA PHE 41 HA PHE 41 1.346 -13.930 17.135 256 HB2 PHE 41 HB2 PHE 41 0.031 -15.751 19.202 257 HB3 PHE 41 HB3 PHE 41 1.670 -15.962 18.605 258 HD1 PHE 41 HD1 PHE 41 3.421 -14.256 19.138 259 HD2 PHE 41 HD2 PHE 41 -0.456 -14.119 20.917 260 HE1 PHE 41 HE1 PHE 41 4.279 -12.792 20.907 261 HE2 PHE 41 HE2 PHE 41 0.411 -12.653 22.687 262 HZ PHE 41 HZ PHE 41 2.779 -11.992 22.680 263 H VAL 42 H VAL 42 -1.713 -15.856 17.084 264 HA VAL 42 HA VAL 42 -0.612 -17.938 15.439 265 HB VAL 42 HB VAL 42 -2.633 -18.218 17.003 266 HG11 VAL 42 HG11 VAL 42 -4.203 -17.043 14.686 267 HG12 VAL 42 HG12 VAL 42 -4.014 -16.319 16.277 268 HG13 VAL 42 HG13 VAL 42 -4.895 -17.832 16.105 269 HG21 VAL 42 HG21 VAL 42 -1.904 -19.989 15.477 270 HG22 VAL 42 HG22 VAL 42 -2.872 -19.292 14.176 271 HG23 VAL 42 HG23 VAL 42 -3.669 -19.974 15.597 272 H PHE 43 H PHE 43 -2.407 -14.967 14.806 273 HA PHE 43 HA PHE 43 -2.702 -15.342 11.974 274 HB2 PHE 43 HB2 PHE 43 -2.867 -12.829 13.694 275 HB3 PHE 43 HB3 PHE 43 -3.244 -12.864 11.981 276 HD1 PHE 43 HD1 PHE 43 -4.838 -15.273 11.633 277 HD2 PHE 43 HD2 PHE 43 -4.898 -12.448 14.842 278 HE1 PHE 43 HE1 PHE 43 -7.166 -15.872 12.121 279 HE2 PHE 43 HE2 PHE 43 -7.236 -13.054 15.323 280 HZ PHE 43 HZ PHE 43 -8.368 -14.768 13.962 281 H GLN 44 H GLN 44 -0.209 -14.056 14.094 282 HA GLN 44 HA GLN 44 1.338 -12.656 12.132 283 HB2 GLN 44 HB2 GLN 44 1.497 -12.104 14.497 284 HB3 GLN 44 HB3 GLN 44 2.064 -13.721 14.891 285 HG2 GLN 44 HG2 GLN 44 4.193 -13.331 13.876 286 HG3 GLN 44 HG3 GLN 44 3.627 -11.861 13.075 287 HE21 GLN 44 HE21 GLN 44 5.885 -12.279 14.948 288 HE22 GLN 44 HE22 GLN 44 5.620 -11.161 16.241 289 H LYS 45 H LYS 45 1.758 -15.833 13.742 290 HA LYS 45 HA LYS 45 4.134 -16.534 12.353 291 HB2 LYS 45 HB2 LYS 45 3.828 -18.780 13.289 292 HB3 LYS 45 HB3 LYS 45 3.543 -17.547 14.509 293 HG2 LYS 45 HG2 LYS 45 1.112 -17.863 14.311 294 HG3 LYS 45 HG3 LYS 45 1.355 -19.038 13.015 295 HD2 LYS 45 HD2 LYS 45 0.894 -20.169 15.144 296 HD3 LYS 45 HD3 LYS 45 2.525 -20.542 14.580 297 HE2 LYS 45 HE2 LYS 45 3.422 -18.822 16.168 298 HE3 LYS 45 HE3 LYS 45 1.780 -18.548 16.760 299 HZ1 LYS 45 HZ1 LYS 45 3.003 -20.063 18.171 300 HZ2 LYS 45 HZ2 LYS 45 3.249 -21.122 16.879 301 HZ3 LYS 45 HZ3 LYS 45 1.688 -20.845 17.460 302 H ALA 46 H ALA 46 0.704 -17.191 11.752 303 HA ALA 46 HA ALA 46 0.981 -18.923 9.528 304 HB1 ALA 46 HB1 ALA 46 -1.371 -18.311 9.030 305 HB2 ALA 46 HB2 ALA 46 -1.272 -16.988 10.199 306 HB3 ALA 46 HB3 ALA 46 -1.143 -18.661 10.745 307 H LEU 47 H LEU 47 0.724 -15.388 9.840 308 HA LEU 47 HA LEU 47 0.736 -14.628 7.141 309 HB2 LEU 47 HB2 LEU 47 0.215 -13.054 8.945 310 HB3 LEU 47 HB3 LEU 47 1.843 -13.192 9.580 311 HG LEU 47 HG LEU 47 2.708 -12.126 7.458 312 HD11 LEU 47 HD11 LEU 47 0.885 -12.681 5.946 313 HD12 LEU 47 HD12 LEU 47 1.169 -10.944 5.975 314 HD13 LEU 47 HD13 LEU 47 -0.215 -11.622 6.837 315 HD21 LEU 47 HD21 LEU 47 2.436 -10.811 9.497 316 HD22 LEU 47 HD22 LEU 47 0.760 -10.452 9.081 317 HD23 LEU 47 HD23 LEU 47 2.073 -9.830 8.077 318 H ARG 48 H ARG 48 3.498 -15.062 9.398 319 HA ARG 48 HA ARG 48 5.515 -14.205 7.577 320 HB2 ARG 48 HB2 ARG 48 5.912 -16.053 9.977 321 HB3 ARG 48 HB3 ARG 48 7.148 -15.088 9.176 322 HG2 ARG 48 HG2 ARG 48 4.888 -14.138 10.942 323 HG3 ARG 48 HG3 ARG 48 6.618 -13.977 11.205 324 HD2 ARG 48 HD2 ARG 48 4.936 -12.509 9.153 325 HD3 ARG 48 HD3 ARG 48 5.698 -11.816 10.583 326 HE ARG 48 HE ARG 48 6.915 -12.373 8.028 327 HH11 ARG 48 HH11 ARG 48 7.668 -11.947 11.444 328 HH12 ARG 48 HH12 ARG 48 9.266 -11.355 11.125 329 HH21 ARG 48 HH21 ARG 48 8.998 -11.598 7.649 330 HH22 ARG 48 HH22 ARG 48 10.013 -11.151 8.983 331 H SER 49 H SER 49 4.156 -17.345 8.382 332 HA SER 49 HA SER 49 5.903 -18.975 6.845 333 HB2 SER 49 HB2 SER 49 4.379 -19.799 8.695 334 HB3 SER 49 HB3 SER 49 3.014 -19.592 7.602 335 HG SER 49 HG SER 49 4.364 -21.027 6.157 336 H LEU 50 H LEU 50 2.959 -17.201 6.130 337 HA LEU 50 HA LEU 50 2.437 -18.299 3.536 338 HB2 LEU 50 HB2 LEU 50 0.705 -17.292 5.017 339 HB3 LEU 50 HB3 LEU 50 1.472 -15.725 4.853 340 HG LEU 50 HG LEU 50 0.833 -15.601 2.490 341 HD11 LEU 50 HD11 LEU 50 -0.555 -17.313 1.412 342 HD12 LEU 50 HD12 LEU 50 -0.380 -18.354 2.830 343 HD13 LEU 50 HD13 LEU 50 1.033 -17.936 1.857 344 HD21 LEU 50 HD21 LEU 50 -1.519 -16.394 4.250 345 HD22 LEU 50 HD22 LEU 50 -1.619 -15.465 2.749 346 HD23 LEU 50 HD23 LEU 50 -0.782 -14.792 4.146 347 H GLN 51 H GLN 51 4.200 -15.453 4.749 348 HA GLN 51 HA GLN 51 4.566 -14.223 2.170 349 HB2 GLN 51 HB2 GLN 51 6.009 -13.620 4.789 350 HB3 GLN 51 HB3 GLN 51 6.036 -12.613 3.348 351 HG2 GLN 51 HG2 GLN 51 3.711 -13.117 5.214 352 HG3 GLN 51 HG3 GLN 51 4.527 -11.594 4.895 353 HE21 GLN 51 HE21 GLN 51 4.052 -10.486 2.925 354 HE22 GLN 51 HE22 GLN 51 2.647 -10.860 1.995 355 H ARG 52 H ARG 52 6.386 -16.519 4.112 356 HA ARG 52 HA ARG 52 8.750 -16.370 2.390 357 HB2 ARG 52 HB2 ARG 52 9.769 -18.007 3.851 358 HB3 ARG 52 HB3 ARG 52 8.950 -16.830 4.875 359 HG2 ARG 52 HG2 ARG 52 7.055 -18.421 5.136 360 HG3 ARG 52 HG3 ARG 52 7.939 -19.605 4.176 361 HD2 ARG 52 HD2 ARG 52 9.731 -19.631 5.879 362 HD3 ARG 52 HD3 ARG 52 8.825 -18.457 6.847 363 HE ARG 52 HE ARG 52 7.190 -20.691 6.304 364 HH11 ARG 52 HH11 ARG 52 9.965 -19.871 8.303 365 HH12 ARG 52 HH12 ARG 52 9.613 -21.091 9.474 366 HH21 ARG 52 HH21 ARG 52 6.783 -22.286 7.832 367 HH22 ARG 52 HH22 ARG 52 7.845 -22.475 9.185 368 H TYR 53 H TYR 53 5.733 -18.093 2.565 369 HA TYR 53 HA TYR 53 6.490 -20.390 0.992 370 HB2 TYR 53 HB2 TYR 53 4.519 -20.176 2.661 371 HB3 TYR 53 HB3 TYR 53 3.661 -19.311 1.390 372 HD1 TYR 53 HD1 TYR 53 5.648 -22.508 1.773 373 HD2 TYR 53 HD2 TYR 53 2.152 -20.652 0.155 374 HE1 TYR 53 HE1 TYR 53 4.887 -24.684 0.927 375 HE2 TYR 53 HE2 TYR 53 1.400 -22.831 -0.692 376 HH TYR 53 HH TYR 53 2.800 -25.784 0.276 377 HA PRO 54 HA PRO 54 6.321 -17.867 -2.796 378 HB2 PRO 54 HB2 PRO 54 7.630 -19.499 -4.451 379 HB3 PRO 54 HB3 PRO 54 8.453 -18.821 -3.036 380 HG2 PRO 54 HG2 PRO 54 7.282 -21.575 -3.402 381 HG3 PRO 54 HG3 PRO 54 8.816 -21.115 -2.644 382 HD2 PRO 54 HD2 PRO 54 6.429 -21.647 -1.256 383 HD3 PRO 54 HD3 PRO 54 7.815 -20.748 -0.596 384 H LEU 55 H LEU 55 3.961 -19.602 -2.068 385 HA LEU 55 HA LEU 55 2.847 -19.883 -4.792 386 HB2 LEU 55 HB2 LEU 55 3.377 -22.133 -3.570 387 HB3 LEU 55 HB3 LEU 55 2.052 -21.736 -2.505 388 HG LEU 55 HG LEU 55 1.461 -23.383 -4.289 389 HD11 LEU 55 HD11 LEU 55 -0.119 -20.812 -4.499 390 HD12 LEU 55 HD12 LEU 55 -0.325 -22.084 -3.292 391 HD13 LEU 55 HD13 LEU 55 -0.666 -22.424 -4.985 392 HD21 LEU 55 HD21 LEU 55 1.884 -21.096 -6.229 393 HD22 LEU 55 HD22 LEU 55 1.221 -22.688 -6.618 394 HD23 LEU 55 HD23 LEU 55 2.891 -22.539 -6.074 395 HA PRO 56 HA PRO 56 0.054 -16.849 -2.788 396 HB2 PRO 56 HB2 PRO 56 -1.239 -16.886 -5.505 397 HB3 PRO 56 HB3 PRO 56 -0.625 -15.517 -4.562 398 HG2 PRO 56 HG2 PRO 56 0.718 -16.391 -6.698 399 HG3 PRO 56 HG3 PRO 56 1.594 -15.868 -5.240 400 HD2 PRO 56 HD2 PRO 56 0.929 -18.692 -6.138 401 HD3 PRO 56 HD3 PRO 56 2.474 -18.031 -5.544 402 H LEU 57 H LEU 57 -1.005 -18.235 -1.400 403 HA LEU 57 HA LEU 57 -2.932 -20.215 -2.198 404 HB2 LEU 57 HB2 LEU 57 -2.432 -18.977 0.548 405 HB3 LEU 57 HB3 LEU 57 -3.358 -20.441 0.235 406 HG LEU 57 HG LEU 57 -0.376 -20.126 -0.325 407 HD11 LEU 57 HD11 LEU 57 -0.828 -20.093 2.078 408 HD12 LEU 57 HD12 LEU 57 0.022 -21.555 1.595 409 HD13 LEU 57 HD13 LEU 57 -1.705 -21.617 1.944 410 HD21 LEU 57 HD21 LEU 57 -0.349 -22.534 -0.721 411 HD22 LEU 57 HD22 LEU 57 -1.470 -21.751 -1.827 412 HD23 LEU 57 HD23 LEU 57 -2.085 -22.634 -0.429 413 H ARG 58 H ARG 58 -4.609 -19.362 -3.330 414 HA ARG 58 HA ARG 58 -6.106 -17.011 -2.508 415 HB2 ARG 58 HB2 ARG 58 -5.752 -17.514 -4.897 416 HB3 ARG 58 HB3 ARG 58 -6.577 -19.057 -4.723 417 HG2 ARG 58 HG2 ARG 58 -8.702 -17.910 -4.288 418 HG3 ARG 58 HG3 ARG 58 -7.893 -16.341 -4.335 419 HD2 ARG 58 HD2 ARG 58 -9.100 -16.838 -6.440 420 HD3 ARG 58 HD3 ARG 58 -7.362 -16.649 -6.702 421 HE ARG 58 HE ARG 58 -8.340 -19.378 -6.327 422 HH11 ARG 58 HH11 ARG 58 -7.305 -16.946 -8.648 423 HH12 ARG 58 HH12 ARG 58 -7.082 -18.096 -9.926 424 HH21 ARG 58 HH21 ARG 58 -8.020 -20.863 -8.008 425 HH22 ARG 58 HH22 ARG 58 -7.493 -20.304 -9.561 426 H SER 59 H SER 59 -6.231 -20.430 -1.987 427 HA SER 59 HA SER 59 -8.880 -20.256 -0.664 428 HB2 SER 59 HB2 SER 59 -8.864 -21.913 -2.481 429 HB3 SER 59 HB3 SER 59 -7.418 -22.667 -1.815 430 HG SER 59 HG SER 59 -10.004 -22.581 -0.650 431 H GLY 60 H GLY 60 -8.946 -20.560 1.501 432 HA2 GLY 60 HA2 GLY 60 -6.611 -20.679 3.140 433 HA3 GLY 60 HA3 GLY 60 -8.280 -20.794 3.685 434 H LYS 61 H LYS 61 -8.740 -23.079 1.839 435 HA LYS 61 HA LYS 61 -8.215 -25.357 3.373 436 HB2 LYS 61 HB2 LYS 61 -9.935 -25.276 1.621 437 HB3 LYS 61 HB3 LYS 61 -8.710 -25.022 0.381 438 HG2 LYS 61 HG2 LYS 61 -7.819 -27.335 0.923 439 HG3 LYS 61 HG3 LYS 61 -9.220 -27.552 1.981 440 HD2 LYS 61 HD2 LYS 61 -10.735 -27.202 0.053 441 HD3 LYS 61 HD3 LYS 61 -9.341 -26.964 -1.009 442 HE2 LYS 61 HE2 LYS 61 -8.617 -29.307 -0.500 443 HE3 LYS 61 HE3 LYS 61 -10.087 -29.520 0.463 444 HZ1 LYS 61 HZ1 LYS 61 -9.980 -28.883 -2.433 445 HZ2 LYS 61 HZ2 LYS 61 -11.394 -29.060 -1.525 446 HZ3 LYS 61 HZ3 LYS 61 -10.369 -30.379 -1.755 447 H GLU 62 H GLU 62 -6.436 -23.841 0.739 448 HA GLU 62 HA GLU 62 -4.377 -25.830 0.472 449 HB2 GLU 62 HB2 GLU 62 -4.410 -22.943 -0.511 450 HB3 GLU 62 HB3 GLU 62 -3.342 -24.222 -1.085 451 HG2 GLU 62 HG2 GLU 62 -6.358 -24.122 -1.444 452 HG3 GLU 62 HG3 GLU 62 -5.157 -23.754 -2.676 453 H ALA 63 H ALA 63 -4.913 -23.134 2.553 454 HA ALA 63 HA ALA 63 -2.156 -22.686 3.331 455 HB1 ALA 63 HB1 ALA 63 -4.739 -21.713 4.605 456 HB2 ALA 63 HB2 ALA 63 -3.802 -20.851 3.382 457 HB3 ALA 63 HB3 ALA 63 -3.111 -21.133 4.980 458 H LYS 64 H LYS 64 -4.671 -24.867 4.219 459 HA LYS 64 HA LYS 64 -4.066 -25.270 6.973 460 HB2 LYS 64 HB2 LYS 64 -6.269 -25.775 5.925 461 HB3 LYS 64 HB3 LYS 64 -5.530 -27.092 5.028 462 HG2 LYS 64 HG2 LYS 64 -5.151 -28.344 7.072 463 HG3 LYS 64 HG3 LYS 64 -5.648 -26.964 8.057 464 HD2 LYS 64 HD2 LYS 64 -7.440 -28.635 7.925 465 HD3 LYS 64 HD3 LYS 64 -7.938 -27.127 7.169 466 HE2 LYS 64 HE2 LYS 64 -7.477 -28.103 4.933 467 HE3 LYS 64 HE3 LYS 64 -6.976 -29.616 5.692 468 HZ1 LYS 64 HZ1 LYS 64 -9.677 -28.407 5.868 469 HZ2 LYS 64 HZ2 LYS 64 -9.196 -29.854 6.587 470 HZ3 LYS 64 HZ3 LYS 64 -9.242 -29.723 4.907 471 H ILE 65 H ILE 65 -2.665 -26.555 4.025 472 HA ILE 65 HA ILE 65 -1.574 -28.973 5.053 473 HB ILE 65 HB ILE 65 -0.096 -29.035 3.101 474 HG12 ILE 65 HG12 ILE 65 -1.015 -26.187 2.493 475 HG13 ILE 65 HG13 ILE 65 0.592 -26.646 3.033 476 HG21 ILE 65 HG21 ILE 65 -2.872 -28.030 2.357 477 HG22 ILE 65 HG22 ILE 65 -2.449 -29.692 2.783 478 HG23 ILE 65 HG23 ILE 65 -1.801 -28.969 1.311 479 HD11 ILE 65 HD11 ILE 65 -0.684 -27.380 0.398 480 HD12 ILE 65 HD12 ILE 65 0.911 -27.914 0.940 481 HD13 ILE 65 HD13 ILE 65 0.599 -26.200 0.670 482 H LEU 66 H LEU 66 -0.601 -25.660 5.396 483 HA LEU 66 HA LEU 66 1.966 -26.371 6.616 484 HB2 LEU 66 HB2 LEU 66 0.719 -23.594 6.430 485 HB3 LEU 66 HB3 LEU 66 2.369 -23.998 6.849 486 HG LEU 66 HG LEU 66 2.434 -24.992 4.368 487 HD11 LEU 66 HD11 LEU 66 1.083 -23.743 2.764 488 HD12 LEU 66 HD12 LEU 66 0.253 -22.900 4.075 489 HD13 LEU 66 HD13 LEU 66 0.045 -24.642 3.872 490 HD21 LEU 66 HD21 LEU 66 3.878 -23.202 5.178 491 HD22 LEU 66 HD22 LEU 66 2.589 -22.021 4.929 492 HD23 LEU 66 HD23 LEU 66 3.302 -22.857 3.546 493 H GLN 67 H GLN 67 2.004 -26.904 8.694 494 HA GLN 67 HA GLN 67 -0.243 -26.843 10.429 495 HB2 GLN 67 HB2 GLN 67 1.562 -28.563 10.493 496 HB3 GLN 67 HB3 GLN 67 2.689 -27.352 11.087 497 HG2 GLN 67 HG2 GLN 67 1.388 -27.117 13.155 498 HG3 GLN 67 HG3 GLN 67 0.200 -28.280 12.574 499 HE21 GLN 67 HE21 GLN 67 0.744 -30.469 12.556 500 HE22 GLN 67 HE22 GLN 67 2.096 -31.096 13.426 501 H HIS 68 H HIS 68 2.097 -24.466 9.703 502 HA HIS 68 HA HIS 68 2.202 -22.972 12.126 503 HB2 HIS 68 HB2 HIS 68 2.636 -22.085 9.247 504 HB3 HIS 68 HB3 HIS 68 3.085 -21.150 10.673 505 HD1 HIS 68 HD1 HIS 68 5.007 -22.186 12.187 506 HD2 HIS 68 HD2 HIS 68 4.476 -23.999 8.484 507 HE1 HIS 68 HE1 HIS 68 7.048 -23.600 11.832 508 HE2 HIS 68 HE2 HIS 68 6.652 -24.787 9.652 509 H PHE 69 H PHE 69 -0.102 -23.126 9.509 510 HA PHE 69 HA PHE 69 -1.799 -21.031 10.590 511 HB2 PHE 69 HB2 PHE 69 -2.331 -23.081 8.371 512 HB3 PHE 69 HB3 PHE 69 -3.394 -21.749 8.805 513 HD1 PHE 69 HD1 PHE 69 0.165 -22.322 7.720 514 HD2 PHE 69 HD2 PHE 69 -3.272 -19.798 7.496 515 HE1 PHE 69 HE1 PHE 69 1.299 -20.923 6.047 516 HE2 PHE 69 HE2 PHE 69 -2.126 -18.401 5.831 517 HZ PHE 69 HZ PHE 69 0.150 -18.967 5.105 518 H GLY 70 H GLY 70 -2.414 -24.493 9.819 519 HA2 GLY 70 HA2 GLY 70 -3.214 -26.171 11.275 520 HA3 GLY 70 HA3 GLY 70 -3.610 -24.955 12.480 521 H ASP 71 H ASP 71 -5.538 -26.604 12.292 522 HA ASP 71 HA ASP 71 -7.305 -26.488 10.065 523 HB2 ASP 71 HB2 ASP 71 -7.299 -28.421 11.530 524 HB3 ASP 71 HB3 ASP 71 -7.704 -27.432 12.926 525 H ARG 72 H ARG 72 -7.485 -24.968 13.305 526 HA ARG 72 HA ARG 72 -9.998 -23.701 12.985 527 HB2 ARG 72 HB2 ARG 72 -7.696 -22.960 14.838 528 HB3 ARG 72 HB3 ARG 72 -9.339 -22.345 14.987 529 HG2 ARG 72 HG2 ARG 72 -8.580 -25.278 15.229 530 HG3 ARG 72 HG3 ARG 72 -8.757 -24.179 16.596 531 HD2 ARG 72 HD2 ARG 72 -10.797 -25.382 16.480 532 HD3 ARG 72 HD3 ARG 72 -11.157 -23.792 15.809 533 HE ARG 72 HE ARG 72 -10.463 -25.599 13.732 534 HH11 ARG 72 HH11 ARG 72 -13.116 -24.985 15.949 535 HH12 ARG 72 HH12 ARG 72 -14.308 -25.623 14.866 536 HH21 ARG 72 HH21 ARG 72 -12.039 -26.404 12.341 537 HH22 ARG 72 HH22 ARG 72 -13.701 -26.419 12.824 538 H LEU 73 H LEU 73 -6.681 -22.546 12.549 539 HA LEU 73 HA LEU 73 -7.186 -19.852 11.880 540 HB2 LEU 73 HB2 LEU 73 -4.959 -21.091 12.463 541 HB3 LEU 73 HB3 LEU 73 -4.906 -21.546 10.781 542 HG LEU 73 HG LEU 73 -3.391 -19.685 11.267 543 HD11 LEU 73 HD11 LEU 73 -4.033 -18.095 9.533 544 HD12 LEU 73 HD12 LEU 73 -5.659 -18.787 9.498 545 HD13 LEU 73 HD13 LEU 73 -4.272 -19.767 9.030 546 HD21 LEU 73 HD21 LEU 73 -5.829 -18.090 12.067 547 HD22 LEU 73 HD22 LEU 73 -4.167 -17.492 11.945 548 HD23 LEU 73 HD23 LEU 73 -4.575 -18.714 13.144 549 H CYS 74 H CYS 74 -6.718 -22.743 9.854 550 HA CYS 74 HA CYS 74 -7.066 -21.726 7.292 551 HB2 CYS 74 HB2 CYS 74 -6.306 -23.977 7.501 552 HB3 CYS 74 HB3 CYS 74 -7.694 -24.450 8.467 553 HG CYS 74 HG CYS 74 -8.528 -23.339 5.448 554 H ARG 75 H ARG 75 -9.516 -22.817 9.635 555 HA ARG 75 HA ARG 75 -11.720 -22.665 7.818 556 HB2 ARG 75 HB2 ARG 75 -11.768 -24.154 9.822 557 HB3 ARG 75 HB3 ARG 75 -11.820 -22.740 10.871 558 HG2 ARG 75 HG2 ARG 75 -14.061 -23.692 10.608 559 HG3 ARG 75 HG3 ARG 75 -13.994 -22.084 9.883 560 HD2 ARG 75 HD2 ARG 75 -13.628 -23.260 7.638 561 HD3 ARG 75 HD3 ARG 75 -14.018 -24.774 8.463 562 HE ARG 75 HE ARG 75 -15.866 -22.469 8.175 563 HH11 ARG 75 HH11 ARG 75 -15.397 -25.951 8.446 564 HH12 ARG 75 HH12 ARG 75 -17.083 -26.307 8.235 565 HH21 ARG 75 HH21 ARG 75 -18.032 -22.950 7.873 566 HH22 ARG 75 HH22 ARG 75 -18.573 -24.595 7.895 567 H MET 76 H MET 76 -10.333 -20.401 10.206 568 HA MET 76 HA MET 76 -12.291 -18.379 10.079 569 HB2 MET 76 HB2 MET 76 -9.280 -18.146 10.490 570 HB3 MET 76 HB3 MET 76 -10.419 -16.830 10.760 571 HG2 MET 76 HG2 MET 76 -10.494 -19.468 12.245 572 HG3 MET 76 HG3 MET 76 -9.716 -18.009 12.842 573 HE1 MET 76 HE1 MET 76 -12.796 -15.608 13.356 574 HE2 MET 76 HE2 MET 76 -11.751 -15.696 11.940 575 HE3 MET 76 HE3 MET 76 -11.054 -15.789 13.559 576 H LEU 77 H LEU 77 -9.342 -18.861 8.153 577 HA LEU 77 HA LEU 77 -9.697 -16.711 6.328 578 HB2 LEU 77 HB2 LEU 77 -8.011 -19.230 6.327 579 HB3 LEU 77 HB3 LEU 77 -8.072 -18.228 4.888 580 HG LEU 77 HG LEU 77 -7.103 -16.331 6.079 581 HD11 LEU 77 HD11 LEU 77 -6.331 -16.456 8.404 582 HD12 LEU 77 HD12 LEU 77 -7.098 -18.036 8.574 583 HD13 LEU 77 HD13 LEU 77 -8.083 -16.607 8.280 584 HD21 LEU 77 HD21 LEU 77 -5.552 -17.931 5.072 585 HD22 LEU 77 HD22 LEU 77 -5.497 -18.861 6.573 586 HD23 LEU 77 HD23 LEU 77 -4.853 -17.217 6.525 587 H ASP 78 H ASP 78 -10.846 -20.035 6.335 588 HA ASP 78 HA ASP 78 -11.690 -20.248 3.625 589 HB2 ASP 78 HB2 ASP 78 -11.305 -22.200 5.105 590 HB3 ASP 78 HB3 ASP 78 -12.641 -21.709 6.131 591 H GLU 79 H GLU 79 -13.424 -19.483 6.638 592 HA GLU 79 HA GLU 79 -16.004 -19.015 5.658 593 HB2 GLU 79 HB2 GLU 79 -14.528 -17.956 8.093 594 HB3 GLU 79 HB3 GLU 79 -16.220 -17.581 7.778 595 HG2 GLU 79 HG2 GLU 79 -15.118 -20.388 8.115 596 HG3 GLU 79 HG3 GLU 79 -15.888 -19.443 9.374 597 H LYS 80 H LYS 80 -13.307 -16.753 6.259 598 HA LYS 80 HA LYS 80 -14.609 -14.345 5.569 599 HB2 LYS 80 HB2 LYS 80 -11.679 -15.146 5.695 600 HB3 LYS 80 HB3 LYS 80 -12.167 -13.514 5.240 601 HG2 LYS 80 HG2 LYS 80 -12.974 -14.846 7.836 602 HG3 LYS 80 HG3 LYS 80 -11.564 -13.809 7.659 603 HD2 LYS 80 HD2 LYS 80 -14.468 -12.984 7.240 604 HD3 LYS 80 HD3 LYS 80 -13.450 -12.551 8.613 605 HE2 LYS 80 HE2 LYS 80 -11.933 -11.325 7.025 606 HE3 LYS 80 HE3 LYS 80 -13.080 -11.670 5.727 607 HZ1 LYS 80 HZ1 LYS 80 -13.405 -9.478 6.628 608 HZ2 LYS 80 HZ2 LYS 80 -13.631 -10.103 8.179 609 HZ3 LYS 80 HZ3 LYS 80 -14.756 -10.436 6.964 610 H LEU 81 H LEU 81 -12.549 -16.511 3.620 611 HA LEU 81 HA LEU 81 -12.479 -14.991 1.240 612 HB2 LEU 81 HB2 LEU 81 -11.019 -16.989 1.841 613 HB3 LEU 81 HB3 LEU 81 -12.370 -18.035 1.490 614 HG LEU 81 HG LEU 81 -10.530 -17.867 -0.281 615 HD11 LEU 81 HD11 LEU 81 -12.019 -17.996 -2.193 616 HD12 LEU 81 HD12 LEU 81 -13.334 -17.292 -1.245 617 HD13 LEU 81 HD13 LEU 81 -12.675 -18.867 -0.808 618 HD21 LEU 81 HD21 LEU 81 -10.552 -15.976 -1.828 619 HD22 LEU 81 HD22 LEU 81 -10.162 -15.456 -0.191 620 HD23 LEU 81 HD23 LEU 81 -11.776 -15.160 -0.846 621 H LYS 82 H LYS 82 -14.695 -17.446 2.461 622 HA LYS 82 HA LYS 82 -16.411 -17.644 0.204 623 HB2 LYS 82 HB2 LYS 82 -16.064 -19.283 2.198 624 HB3 LYS 82 HB3 LYS 82 -17.189 -18.272 3.084 625 HG2 LYS 82 HG2 LYS 82 -17.928 -19.557 0.438 626 HG3 LYS 82 HG3 LYS 82 -18.086 -20.423 1.965 627 HD2 LYS 82 HD2 LYS 82 -19.665 -18.662 2.767 628 HD3 LYS 82 HD3 LYS 82 -19.498 -17.828 1.219 629 HE2 LYS 82 HE2 LYS 82 -20.668 -20.608 1.632 630 HE3 LYS 82 HE3 LYS 82 -21.563 -19.132 1.253 631 HZ1 LYS 82 HZ1 LYS 82 -20.313 -18.987 -0.836 632 HZ2 LYS 82 HZ2 LYS 82 -21.229 -20.397 -0.741 633 HZ3 LYS 82 HZ3 LYS 82 -19.562 -20.460 -0.495 634 H GLN 83 H GLN 83 -16.348 -15.488 3.058 635 HA GLN 83 HA GLN 83 -18.968 -14.343 2.668 636 HB2 GLN 83 HB2 GLN 83 -16.529 -13.238 4.153 637 HB3 GLN 83 HB3 GLN 83 -18.133 -12.505 4.183 638 HG2 GLN 83 HG2 GLN 83 -19.029 -14.542 5.253 639 HG3 GLN 83 HG3 GLN 83 -17.421 -15.246 5.244 640 HE21 GLN 83 HE21 GLN 83 -19.461 -12.821 6.705 641 HE22 GLN 83 HE22 GLN 83 -18.428 -12.469 8.041 642 H HIS 84 H HIS 84 -15.676 -13.569 1.651 643 HA HIS 84 HA HIS 84 -16.155 -11.035 0.516 644 HB2 HIS 84 HB2 HIS 84 -13.882 -11.989 1.094 645 HB3 HIS 84 HB3 HIS 84 -14.008 -13.041 -0.314 646 HD1 HIS 84 HD1 HIS 84 -13.261 -9.557 0.714 647 HD2 HIS 84 HD2 HIS 84 -13.794 -11.663 -2.833 648 HE1 HIS 84 HE1 HIS 84 -12.463 -8.028 -1.104 649 HE2 HIS 84 HE2 HIS 84 -12.974 -9.238 -3.236 650 H LEU 85 H LEU 85 -16.204 -14.324 -0.909 651 HA LEU 85 HA LEU 85 -16.771 -13.338 -3.570 652 HB2 LEU 85 HB2 LEU 85 -16.816 -16.179 -2.469 653 HB3 LEU 85 HB3 LEU 85 -16.992 -15.755 -4.167 654 HG LEU 85 HG LEU 85 -14.516 -15.476 -2.428 655 HD11 LEU 85 HD11 LEU 85 -14.860 -17.683 -3.353 656 HD12 LEU 85 HD12 LEU 85 -13.470 -16.918 -4.114 657 HD13 LEU 85 HD13 LEU 85 -15.004 -17.028 -4.987 658 HD21 LEU 85 HD21 LEU 85 -13.365 -14.438 -4.351 659 HD22 LEU 85 HD22 LEU 85 -14.649 -13.426 -3.703 660 HD23 LEU 85 HD23 LEU 85 -14.909 -14.317 -5.205 661 H ALA 86 H ALA 86 -18.684 -15.292 -1.212 662 HA ALA 86 HA ALA 86 -21.044 -15.390 -2.775 663 HB1 ALA 86 HB1 ALA 86 -22.152 -16.262 -0.762 664 HB2 ALA 86 HB2 ALA 86 -20.780 -15.762 0.232 665 HB3 ALA 86 HB3 ALA 86 -20.573 -17.020 -0.987 666 H SER 87 H SER 87 -20.271 -13.320 0.087 667 HA SER 87 HA SER 87 -22.751 -11.851 -0.153 668 HB2 SER 87 HB2 SER 87 -20.330 -11.247 1.597 669 HB3 SER 87 HB3 SER 87 -21.930 -10.511 1.752 670 HG SER 87 HG SER 87 -22.755 -12.599 2.229 671 H GLY 88 H GLY 88 -19.431 -11.396 -1.333 672 HA2 GLY 88 HA2 GLY 88 -19.262 -10.129 -3.421 673 HA3 GLY 88 HA3 GLY 88 -20.349 -8.927 -2.747 674 H GLY 89 H GLY 89 -18.803 -9.323 -0.109 675 HA2 GLY 89 HA2 GLY 89 -16.981 -8.519 1.010 676 HA3 GLY 89 HA3 GLY 89 -16.096 -8.475 -0.506 677 H ASP 90 H ASP 90 -16.022 -6.586 -1.674 678 HA ASP 90 HA ASP 90 -17.148 -4.131 -0.460 679 HB2 ASP 90 HB2 ASP 90 -14.547 -4.499 -2.025 680 HB3 ASP 90 HB3 ASP 90 -15.191 -2.936 -1.542 Start of MODEL 5 1 H ARG 11 H ARG 11 4.952 -1.415 10.715 2 HA ARG 11 HA ARG 11 2.868 -2.516 11.198 3 HB2 ARG 11 HB2 ARG 11 1.788 0.335 11.285 4 HB3 ARG 11 HB3 ARG 11 0.776 -1.107 11.255 5 HG2 ARG 11 HG2 ARG 11 1.625 -1.798 13.434 6 HG3 ARG 11 HG3 ARG 11 2.753 -0.436 13.463 7 HD2 ARG 11 HD2 ARG 11 0.731 -0.028 14.853 8 HD3 ARG 11 HD3 ARG 11 0.895 1.154 13.552 9 HE ARG 11 HE ARG 11 -0.979 -1.143 13.526 10 HH11 ARG 11 HH11 ARG 11 -0.293 2.189 12.631 11 HH12 ARG 11 HH12 ARG 11 -1.821 2.392 11.841 12 HH21 ARG 11 HH21 ARG 11 -2.960 -0.844 12.497 13 HH22 ARG 11 HH22 ARG 11 -3.326 0.689 11.775 14 HA PRO 12 HA PRO 12 3.128 -1.734 6.657 15 HB2 PRO 12 HB2 PRO 12 3.269 -4.311 5.825 16 HB3 PRO 12 HB3 PRO 12 4.657 -3.488 6.551 17 HG2 PRO 12 HG2 PRO 12 2.751 -5.452 7.798 18 HG3 PRO 12 HG3 PRO 12 4.512 -5.330 7.984 19 HD2 PRO 12 HD2 PRO 12 2.650 -4.323 9.801 20 HD3 PRO 12 HD3 PRO 12 4.332 -3.767 9.671 21 H LEU 13 H LEU 13 1.108 -0.902 6.205 22 HA LEU 13 HA LEU 13 -1.294 -2.557 6.143 23 HB2 LEU 13 HB2 LEU 13 -0.780 0.344 5.354 24 HB3 LEU 13 HB3 LEU 13 -2.320 -0.448 5.084 25 HG LEU 13 HG LEU 13 -2.493 -0.798 7.591 26 HD11 LEU 13 HD11 LEU 13 -0.142 -0.570 8.243 27 HD12 LEU 13 HD12 LEU 13 -1.152 0.590 9.101 28 HD13 LEU 13 HD13 LEU 13 -0.153 1.126 7.748 29 HD21 LEU 13 HD21 LEU 13 -3.221 1.514 8.057 30 HD22 LEU 13 HD22 LEU 13 -3.747 0.974 6.465 31 HD23 LEU 13 HD23 LEU 13 -2.375 2.075 6.612 32 HA PRO 14 HA PRO 14 -0.138 -3.976 1.912 33 HB2 PRO 14 HB2 PRO 14 -2.903 -5.167 2.056 34 HB3 PRO 14 HB3 PRO 14 -1.367 -5.931 1.620 35 HG2 PRO 14 HG2 PRO 14 -2.451 -6.416 3.997 36 HG3 PRO 14 HG3 PRO 14 -0.697 -6.167 3.861 37 HD2 PRO 14 HD2 PRO 14 -2.821 -4.208 4.774 38 HD3 PRO 14 HD3 PRO 14 -1.234 -4.570 5.499 39 H VAL 15 H VAL 15 -0.160 -2.215 0.637 40 HA VAL 15 HA VAL 15 -2.433 -0.497 0.189 41 HB VAL 15 HB VAL 15 0.271 -0.531 -1.236 42 HG11 VAL 15 HG11 VAL 15 -1.395 0.780 -2.498 43 HG12 VAL 15 HG12 VAL 15 -0.171 1.841 -1.799 44 HG13 VAL 15 HG13 VAL 15 -1.767 1.726 -1.054 45 HG21 VAL 15 HG21 VAL 15 0.585 -0.290 1.188 46 HG22 VAL 15 HG22 VAL 15 -0.568 1.045 1.229 47 HG23 VAL 15 HG23 VAL 15 0.964 1.231 0.373 48 H CYS 16 H CYS 16 -0.925 -3.186 -1.499 49 HA CYS 16 HA CYS 16 -3.295 -3.339 -3.256 50 HB2 CYS 16 HB2 CYS 16 -1.306 -2.578 -4.605 51 HB3 CYS 16 HB3 CYS 16 -0.469 -4.058 -4.157 52 HG CYS 16 HG CYS 16 -3.354 -3.895 -5.985 53 HA PRO 17 HA PRO 17 -2.752 -7.271 -0.832 54 HB2 PRO 17 HB2 PRO 17 -5.220 -7.458 0.234 55 HB3 PRO 17 HB3 PRO 17 -4.051 -6.286 0.864 56 HG2 PRO 17 HG2 PRO 17 -6.336 -5.837 -1.055 57 HG3 PRO 17 HG3 PRO 17 -5.864 -4.871 0.360 58 HD2 PRO 17 HD2 PRO 17 -5.146 -4.245 -2.241 59 HD3 PRO 17 HD3 PRO 17 -4.222 -3.735 -0.815 60 H ASN 18 H ASN 18 -2.638 -7.718 -3.361 61 HA ASN 18 HA ASN 18 -4.812 -8.798 -4.746 62 HB2 ASN 18 HB2 ASN 18 -2.706 -8.306 -5.892 63 HB3 ASN 18 HB3 ASN 18 -1.864 -9.537 -4.962 64 HD21 ASN 18 HD21 ASN 18 -1.191 -10.628 -6.826 65 HD22 ASN 18 HD22 ASN 18 -2.277 -11.542 -7.815 66 HA PRO 19 HA PRO 19 -4.460 -12.771 -2.138 67 HB2 PRO 19 HB2 PRO 19 -2.255 -12.709 -0.224 68 HB3 PRO 19 HB3 PRO 19 -2.520 -13.852 -1.540 69 HG2 PRO 19 HG2 PRO 19 -0.449 -12.036 -1.497 70 HG3 PRO 19 HG3 PRO 19 -1.135 -12.718 -2.989 71 HD2 PRO 19 HD2 PRO 19 -1.731 -10.052 -1.674 72 HD3 PRO 19 HD3 PRO 19 -1.431 -10.424 -3.390 73 H LEU 20 H LEU 20 -6.238 -11.891 -1.156 74 HA LEU 20 HA LEU 20 -6.327 -9.784 0.732 75 HB2 LEU 20 HB2 LEU 20 -8.289 -12.043 0.210 76 HB3 LEU 20 HB3 LEU 20 -8.650 -10.627 1.192 77 HG LEU 20 HG LEU 20 -7.899 -10.480 -1.755 78 HD11 LEU 20 HD11 LEU 20 -10.672 -10.409 -0.526 79 HD12 LEU 20 HD12 LEU 20 -9.993 -11.710 -1.509 80 HD13 LEU 20 HD13 LEU 20 -10.269 -10.126 -2.223 81 HD21 LEU 20 HD21 LEU 20 -9.080 -8.381 0.107 82 HD22 LEU 20 HD22 LEU 20 -8.771 -8.182 -1.621 83 HD23 LEU 20 HD23 LEU 20 -7.424 -8.417 -0.512 84 H PHE 21 H PHE 21 -5.549 -13.078 1.077 85 HA PHE 21 HA PHE 21 -6.203 -13.648 3.758 86 HB2 PHE 21 HB2 PHE 21 -3.887 -14.790 2.126 87 HB3 PHE 21 HB3 PHE 21 -4.680 -15.549 3.504 88 HD1 PHE 21 HD1 PHE 21 -5.091 -14.603 -0.061 89 HD2 PHE 21 HD2 PHE 21 -6.751 -16.760 3.220 90 HE1 PHE 21 HE1 PHE 21 -6.676 -15.700 -1.577 91 HE2 PHE 21 HE2 PHE 21 -8.333 -17.850 1.704 92 HZ PHE 21 HZ PHE 21 -8.292 -17.318 -0.690 93 H VAL 22 H VAL 22 -3.496 -12.027 2.241 94 HA VAL 22 HA VAL 22 -1.719 -11.872 4.447 95 HB VAL 22 HB VAL 22 -1.952 -10.120 1.953 96 HG11 VAL 22 HG11 VAL 22 0.370 -9.363 2.438 97 HG12 VAL 22 HG12 VAL 22 0.322 -10.214 3.983 98 HG13 VAL 22 HG13 VAL 22 -0.762 -8.850 3.695 99 HG21 VAL 22 HG21 VAL 22 -1.444 -12.492 1.482 100 HG22 VAL 22 HG22 VAL 22 -0.072 -12.432 2.593 101 HG23 VAL 22 HG23 VAL 22 -0.055 -11.468 1.114 102 H ARG 23 H ARG 23 -4.104 -9.482 3.119 103 HA ARG 23 HA ARG 23 -3.628 -7.544 5.152 104 HB2 ARG 23 HB2 ARG 23 -5.662 -6.382 4.450 105 HB3 ARG 23 HB3 ARG 23 -4.700 -6.837 3.054 106 HG2 ARG 23 HG2 ARG 23 -6.263 -8.410 2.308 107 HG3 ARG 23 HG3 ARG 23 -6.965 -8.637 3.908 108 HD2 ARG 23 HD2 ARG 23 -7.280 -6.091 2.276 109 HD3 ARG 23 HD3 ARG 23 -8.444 -7.420 2.273 110 HE ARG 23 HE ARG 23 -8.093 -6.774 4.932 111 HH11 ARG 23 HH11 ARG 23 -9.244 -5.006 2.108 112 HH12 ARG 23 HH12 ARG 23 -10.287 -3.991 3.046 113 HH21 ARG 23 HH21 ARG 23 -9.455 -5.450 6.112 114 HH22 ARG 23 HH22 ARG 23 -10.404 -4.238 5.313 115 H TRP 24 H TRP 24 -5.835 -10.305 4.987 116 HA TRP 24 HA TRP 24 -7.422 -9.623 7.252 117 HB2 TRP 24 HB2 TRP 24 -6.974 -12.278 5.819 118 HB3 TRP 24 HB3 TRP 24 -8.066 -12.114 7.193 119 HD1 TRP 24 HD1 TRP 24 -9.240 -9.198 6.221 120 HE1 TRP 24 HE1 TRP 24 -10.971 -9.167 4.338 121 HE3 TRP 24 HE3 TRP 24 -8.317 -13.804 4.109 122 HZ2 TRP 24 HZ2 TRP 24 -11.850 -10.812 2.252 123 HZ3 TRP 24 HZ3 TRP 24 -9.667 -14.486 2.174 124 HH2 TRP 24 HH2 TRP 24 -11.403 -13.022 1.261 125 H LEU 25 H LEU 25 -4.538 -11.736 6.889 126 HA LEU 25 HA LEU 25 -4.400 -12.440 9.660 127 HB2 LEU 25 HB2 LEU 25 -2.330 -12.597 7.444 128 HB3 LEU 25 HB3 LEU 25 -2.024 -13.184 9.076 129 HG LEU 25 HG LEU 25 -4.173 -14.234 7.186 130 HD11 LEU 25 HD11 LEU 25 -2.858 -16.298 7.121 131 HD12 LEU 25 HD12 LEU 25 -1.606 -15.554 8.121 132 HD13 LEU 25 HD13 LEU 25 -1.932 -14.932 6.501 133 HD21 LEU 25 HD21 LEU 25 -3.439 -15.221 9.963 134 HD22 LEU 25 HD22 LEU 25 -4.648 -15.917 8.878 135 HD23 LEU 25 HD23 LEU 25 -4.894 -14.311 9.547 136 H THR 26 H THR 26 -3.099 -9.752 7.804 137 HA THR 26 HA THR 26 -1.271 -8.801 9.795 138 HB THR 26 HB THR 26 -2.529 -7.314 7.439 139 HG1 THR 26 HG1 THR 26 -1.057 -9.231 7.118 140 HG21 THR 26 HG21 THR 26 -1.643 -5.719 9.130 141 HG22 THR 26 HG22 THR 26 -0.664 -5.711 7.662 142 HG23 THR 26 HG23 THR 26 -0.087 -6.555 9.099 143 H GLU 27 H GLU 27 -4.654 -7.969 8.916 144 HA GLU 27 HA GLU 27 -4.831 -5.774 10.765 145 HB2 GLU 27 HB2 GLU 27 -7.153 -5.553 10.105 146 HB3 GLU 27 HB3 GLU 27 -6.186 -5.868 8.672 147 HG2 GLU 27 HG2 GLU 27 -6.934 -8.240 8.709 148 HG3 GLU 27 HG3 GLU 27 -7.927 -7.891 10.121 149 H TRP 28 H TRP 28 -5.819 -9.198 10.855 150 HA TRP 28 HA TRP 28 -7.247 -9.120 13.313 151 HB2 TRP 28 HB2 TRP 28 -5.775 -11.395 11.935 152 HB3 TRP 28 HB3 TRP 28 -6.685 -11.613 13.423 153 HD1 TRP 28 HD1 TRP 28 -9.125 -9.576 12.151 154 HE1 TRP 28 HE1 TRP 28 -10.800 -10.771 10.614 155 HE3 TRP 28 HE3 TRP 28 -6.359 -13.715 10.998 156 HZ2 TRP 28 HZ2 TRP 28 -10.937 -13.145 9.135 157 HZ3 TRP 28 HZ3 TRP 28 -7.336 -15.408 9.511 158 HH2 TRP 28 HH2 TRP 28 -9.586 -15.131 8.594 159 H ARG 29 H ARG 29 -3.878 -9.869 12.516 160 HA ARG 29 HA ARG 29 -2.834 -10.306 15.084 161 HB2 ARG 29 HB2 ARG 29 -1.598 -10.840 13.029 162 HB3 ARG 29 HB3 ARG 29 -1.543 -9.136 12.587 163 HG2 ARG 29 HG2 ARG 29 -0.122 -8.717 14.628 164 HG3 ARG 29 HG3 ARG 29 -0.083 -10.465 14.899 165 HD2 ARG 29 HD2 ARG 29 0.982 -10.778 12.692 166 HD3 ARG 29 HD3 ARG 29 0.923 -9.031 12.410 167 HE ARG 29 HE ARG 29 2.572 -10.408 14.448 168 HH11 ARG 29 HH11 ARG 29 1.929 -7.481 12.588 169 HH12 ARG 29 HH12 ARG 29 3.480 -6.791 12.941 170 HH21 ARG 29 HH21 ARG 29 4.597 -9.504 14.862 171 HH22 ARG 29 HH22 ARG 29 4.988 -7.940 14.225 172 H ASP 30 H ASP 30 -3.424 -7.323 13.301 173 HA ASP 30 HA ASP 30 -1.856 -5.603 14.984 174 HB2 ASP 30 HB2 ASP 30 -2.281 -5.175 12.560 175 HB3 ASP 30 HB3 ASP 30 -3.982 -4.882 12.919 176 H GLU 31 H GLU 31 -5.351 -6.223 14.630 177 HA GLU 31 HA GLU 31 -6.274 -4.462 16.661 178 HB2 GLU 31 HB2 GLU 31 -7.495 -6.991 15.481 179 HB3 GLU 31 HB3 GLU 31 -8.341 -5.981 16.655 180 HG2 GLU 31 HG2 GLU 31 -7.411 -5.114 13.895 181 HG3 GLU 31 HG3 GLU 31 -9.061 -5.524 14.353 182 H ALA 32 H ALA 32 -5.370 -7.885 16.661 183 HA ALA 32 HA ALA 32 -5.937 -8.460 19.382 184 HB1 ALA 32 HB1 ALA 32 -4.604 -10.509 19.003 185 HB2 ALA 32 HB2 ALA 32 -4.015 -9.839 17.476 186 HB3 ALA 32 HB3 ALA 32 -5.727 -10.213 17.673 187 H ALA 33 H ALA 33 -3.135 -7.100 17.753 188 HA ALA 33 HA ALA 33 -1.251 -7.275 19.879 189 HB1 ALA 33 HB1 ALA 33 -0.569 -6.902 17.542 190 HB2 ALA 33 HB2 ALA 33 0.060 -5.624 18.587 191 HB3 ALA 33 HB3 ALA 33 -1.343 -5.317 17.555 192 H SER 34 H SER 34 -3.636 -4.859 18.921 193 HA SER 34 HA SER 34 -2.823 -2.897 20.895 194 HB2 SER 34 HB2 SER 34 -5.268 -2.935 19.070 195 HB3 SER 34 HB3 SER 34 -4.624 -1.534 19.936 196 HG SER 34 HG SER 34 -3.846 -2.636 17.571 197 H ARG 35 H ARG 35 -5.090 -5.542 20.779 198 HA ARG 35 HA ARG 35 -6.731 -4.479 22.998 199 HB2 ARG 35 HB2 ARG 35 -7.744 -5.367 20.806 200 HB3 ARG 35 HB3 ARG 35 -7.295 -6.980 21.346 201 HG2 ARG 35 HG2 ARG 35 -8.814 -6.836 23.237 202 HG3 ARG 35 HG3 ARG 35 -9.116 -5.123 22.928 203 HD2 ARG 35 HD2 ARG 35 -10.161 -5.721 20.748 204 HD3 ARG 35 HD3 ARG 35 -9.916 -7.430 21.112 205 HE ARG 35 HE ARG 35 -11.370 -6.815 23.203 206 HH11 ARG 35 HH11 ARG 35 -11.849 -5.605 19.929 207 HH12 ARG 35 HH12 ARG 35 -13.564 -5.430 20.114 208 HH21 ARG 35 HH21 ARG 35 -13.639 -6.582 23.423 209 HH22 ARG 35 HH22 ARG 35 -14.578 -5.986 22.092 210 H GLY 36 H GLY 36 -4.153 -6.660 22.460 211 HA2 GLY 36 HA2 GLY 36 -2.839 -7.622 24.151 212 HA3 GLY 36 HA3 GLY 36 -4.176 -7.458 25.281 213 H ARG 37 H ARG 37 -4.924 -8.776 22.238 214 HA ARG 37 HA ARG 37 -5.710 -11.316 23.371 215 HB2 ARG 37 HB2 ARG 37 -7.175 -9.999 21.837 216 HB3 ARG 37 HB3 ARG 37 -5.989 -10.182 20.561 217 HG2 ARG 37 HG2 ARG 37 -7.769 -11.731 20.151 218 HG3 ARG 37 HG3 ARG 37 -6.352 -12.669 20.639 219 HD2 ARG 37 HD2 ARG 37 -7.257 -12.904 22.896 220 HD3 ARG 37 HD3 ARG 37 -8.638 -11.882 22.479 221 HE ARG 37 HE ARG 37 -8.574 -14.026 20.672 222 HH11 ARG 37 HH11 ARG 37 -9.173 -13.555 24.113 223 HH12 ARG 37 HH12 ARG 37 -10.245 -14.916 24.215 224 HH21 ARG 37 HH21 ARG 37 -9.965 -15.775 20.838 225 HH22 ARG 37 HH22 ARG 37 -10.688 -16.178 22.362 226 H HIS 38 H HIS 38 -4.568 -13.136 23.202 227 HA HIS 38 HA HIS 38 -1.869 -13.224 22.434 228 HB2 HIS 38 HB2 HIS 38 -1.919 -15.584 23.065 229 HB3 HIS 38 HB3 HIS 38 -2.876 -14.649 24.204 230 HD1 HIS 38 HD1 HIS 38 -3.023 -17.716 22.447 231 HD2 HIS 38 HD2 HIS 38 -5.830 -14.778 23.354 232 HE1 HIS 38 HE1 HIS 38 -5.268 -18.830 22.201 233 HE2 HIS 38 HE2 HIS 38 -6.948 -17.022 22.698 234 H THR 39 H THR 39 -4.634 -13.717 20.463 235 HA THR 39 HA THR 39 -3.710 -15.801 18.770 236 HB THR 39 HB THR 39 -5.578 -15.139 17.259 237 HG1 THR 39 HG1 THR 39 -6.808 -13.349 17.753 238 HG21 THR 39 HG21 THR 39 -7.417 -15.579 18.839 239 HG22 THR 39 HG22 THR 39 -6.359 -15.214 20.202 240 HG23 THR 39 HG23 THR 39 -6.041 -16.628 19.191 241 H ARG 40 H ARG 40 -2.896 -12.460 18.854 242 HA ARG 40 HA ARG 40 -2.282 -11.832 16.210 243 HB2 ARG 40 HB2 ARG 40 -0.644 -10.218 17.077 244 HB3 ARG 40 HB3 ARG 40 -2.124 -10.170 18.026 245 HG2 ARG 40 HG2 ARG 40 -1.085 -11.329 19.866 246 HG3 ARG 40 HG3 ARG 40 0.342 -11.709 18.898 247 HD2 ARG 40 HD2 ARG 40 0.880 -9.315 18.739 248 HD3 ARG 40 HD3 ARG 40 -0.537 -8.926 19.718 249 HE ARG 40 HE ARG 40 0.802 -10.588 21.352 250 HH11 ARG 40 HH11 ARG 40 1.992 -7.861 19.490 251 HH12 ARG 40 HH12 ARG 40 3.110 -7.354 20.711 252 HH21 ARG 40 HH21 ARG 40 2.285 -9.914 22.955 253 HH22 ARG 40 HH22 ARG 40 3.286 -8.529 22.666 254 H PHE 41 H PHE 41 -0.560 -13.910 18.452 255 HA PHE 41 HA PHE 41 1.918 -14.076 17.049 256 HB2 PHE 41 HB2 PHE 41 0.691 -15.943 19.125 257 HB3 PHE 41 HB3 PHE 41 2.354 -16.046 18.549 258 HD1 PHE 41 HD1 PHE 41 3.621 -13.611 18.661 259 HD2 PHE 41 HD2 PHE 41 0.442 -14.898 21.215 260 HE1 PHE 41 HE1 PHE 41 4.358 -12.025 20.385 261 HE2 PHE 41 HE2 PHE 41 1.187 -13.305 22.933 262 HZ PHE 41 HZ PHE 41 3.144 -11.864 22.521 263 H VAL 42 H VAL 42 -1.036 -16.139 17.068 264 HA VAL 42 HA VAL 42 0.102 -18.105 15.303 265 HB VAL 42 HB VAL 42 -1.801 -18.575 16.950 266 HG11 VAL 42 HG11 VAL 42 -3.325 -16.738 16.445 267 HG12 VAL 42 HG12 VAL 42 -4.132 -18.286 16.204 268 HG13 VAL 42 HG13 VAL 42 -3.572 -17.357 14.812 269 HG21 VAL 42 HG21 VAL 42 -1.078 -20.227 15.295 270 HG22 VAL 42 HG22 VAL 42 -2.151 -19.521 14.084 271 HG23 VAL 42 HG23 VAL 42 -2.830 -20.313 15.510 272 H PHE 43 H PHE 43 -1.921 -15.236 14.881 273 HA PHE 43 HA PHE 43 -2.391 -15.500 12.080 274 HB2 PHE 43 HB2 PHE 43 -2.420 -13.016 13.851 275 HB3 PHE 43 HB3 PHE 43 -2.982 -13.049 12.186 276 HD1 PHE 43 HD1 PHE 43 -4.460 -15.682 12.201 277 HD2 PHE 43 HD2 PHE 43 -4.431 -12.471 15.016 278 HE1 PHE 43 HE1 PHE 43 -6.710 -16.318 12.949 279 HE2 PHE 43 HE2 PHE 43 -6.691 -13.111 15.755 280 HZ PHE 43 HZ PHE 43 -7.831 -15.037 14.723 281 H GLN 44 H GLN 44 0.280 -14.240 13.989 282 HA GLN 44 HA GLN 44 1.631 -12.805 11.908 283 HB2 GLN 44 HB2 GLN 44 2.072 -12.331 14.286 284 HB3 GLN 44 HB3 GLN 44 2.709 -13.957 14.522 285 HG2 GLN 44 HG2 GLN 44 4.589 -13.456 13.011 286 HG3 GLN 44 HG3 GLN 44 3.933 -11.847 12.703 287 HE21 GLN 44 HE21 GLN 44 6.537 -12.617 13.798 288 HE22 GLN 44 HE22 GLN 44 6.656 -11.855 15.342 289 H LYS 45 H LYS 45 2.188 -16.024 13.399 290 HA LYS 45 HA LYS 45 4.419 -16.685 11.742 291 HB2 LYS 45 HB2 LYS 45 4.344 -18.881 12.756 292 HB3 LYS 45 HB3 LYS 45 4.027 -17.672 13.993 293 HG2 LYS 45 HG2 LYS 45 1.552 -18.183 13.731 294 HG3 LYS 45 HG3 LYS 45 2.007 -19.515 12.668 295 HD2 LYS 45 HD2 LYS 45 1.605 -20.394 14.897 296 HD3 LYS 45 HD3 LYS 45 3.331 -20.517 14.548 297 HE2 LYS 45 HE2 LYS 45 3.745 -18.477 15.890 298 HE3 LYS 45 HE3 LYS 45 2.018 -18.344 16.228 299 HZ1 LYS 45 HZ1 LYS 45 3.773 -20.587 17.051 300 HZ2 LYS 45 HZ2 LYS 45 2.118 -20.453 17.373 301 HZ3 LYS 45 HZ3 LYS 45 3.202 -19.347 18.053 302 H ALA 46 H ALA 46 0.972 -17.183 11.457 303 HA ALA 46 HA ALA 46 0.935 -18.914 9.197 304 HB1 ALA 46 HB1 ALA 46 -1.414 -18.169 8.964 305 HB2 ALA 46 HB2 ALA 46 -1.122 -16.881 10.140 306 HB3 ALA 46 HB3 ALA 46 -1.027 -18.570 10.639 307 H LEU 47 H LEU 47 0.823 -15.397 9.598 308 HA LEU 47 HA LEU 47 0.565 -14.606 6.899 309 HB2 LEU 47 HB2 LEU 47 0.093 -13.121 8.790 310 HB3 LEU 47 HB3 LEU 47 1.765 -13.193 9.309 311 HG LEU 47 HG LEU 47 2.459 -11.958 7.261 312 HD11 LEU 47 HD11 LEU 47 -0.526 -11.735 6.690 313 HD12 LEU 47 HD12 LEU 47 0.659 -12.631 5.732 314 HD13 LEU 47 HD13 LEU 47 0.761 -10.876 5.837 315 HD21 LEU 47 HD21 LEU 47 2.021 -10.720 9.344 316 HD22 LEU 47 HD22 LEU 47 0.313 -10.564 8.926 317 HD23 LEU 47 HD23 LEU 47 1.538 -9.757 7.947 318 H ARG 48 H ARG 48 3.406 -15.178 8.931 319 HA ARG 48 HA ARG 48 5.409 -14.263 7.157 320 HB2 ARG 48 HB2 ARG 48 5.529 -16.281 9.447 321 HB3 ARG 48 HB3 ARG 48 6.960 -15.664 8.626 322 HG2 ARG 48 HG2 ARG 48 5.019 -13.761 9.957 323 HG3 ARG 48 HG3 ARG 48 6.220 -14.628 10.912 324 HD2 ARG 48 HD2 ARG 48 7.045 -12.400 10.336 325 HD3 ARG 48 HD3 ARG 48 8.030 -13.638 9.555 326 HE ARG 48 HE ARG 48 5.881 -12.417 7.989 327 HH11 ARG 48 HH11 ARG 48 9.332 -12.540 8.657 328 HH12 ARG 48 HH12 ARG 48 9.753 -11.696 7.203 329 HH21 ARG 48 HH21 ARG 48 6.467 -11.339 6.087 330 HH22 ARG 48 HH22 ARG 48 8.138 -11.046 5.743 331 H SER 49 H SER 49 4.100 -17.495 7.873 332 HA SER 49 HA SER 49 5.693 -18.947 6.025 333 HB2 SER 49 HB2 SER 49 4.099 -20.826 6.454 334 HB3 SER 49 HB3 SER 49 4.691 -20.084 7.935 335 HG SER 49 HG SER 49 2.265 -19.203 6.816 336 H LEU 50 H LEU 50 2.656 -17.216 5.721 337 HA LEU 50 HA LEU 50 1.712 -18.397 3.290 338 HB2 LEU 50 HB2 LEU 50 0.438 -16.994 5.078 339 HB3 LEU 50 HB3 LEU 50 1.054 -15.581 4.249 340 HG LEU 50 HG LEU 50 -0.652 -17.681 2.833 341 HD11 LEU 50 HD11 LEU 50 -2.610 -16.280 3.219 342 HD12 LEU 50 HD12 LEU 50 -1.660 -15.173 4.213 343 HD13 LEU 50 HD13 LEU 50 -1.930 -16.835 4.746 344 HD21 LEU 50 HD21 LEU 50 -0.113 -14.770 2.128 345 HD22 LEU 50 HD22 LEU 50 -1.178 -15.869 1.245 346 HD23 LEU 50 HD23 LEU 50 0.554 -16.182 1.303 347 H GLN 51 H GLN 51 3.497 -15.413 4.045 348 HA GLN 51 HA GLN 51 3.738 -14.344 1.454 349 HB2 GLN 51 HB2 GLN 51 5.501 -13.973 3.909 350 HB3 GLN 51 HB3 GLN 51 5.673 -13.032 2.430 351 HG2 GLN 51 HG2 GLN 51 3.381 -12.148 2.723 352 HG3 GLN 51 HG3 GLN 51 3.223 -13.072 4.221 353 HE21 GLN 51 HE21 GLN 51 2.901 -11.141 5.415 354 HE22 GLN 51 HE22 GLN 51 4.192 -10.053 5.767 355 H ARG 52 H ARG 52 5.918 -16.525 3.257 356 HA ARG 52 HA ARG 52 7.925 -16.579 1.169 357 HB2 ARG 52 HB2 ARG 52 9.103 -18.187 2.566 358 HB3 ARG 52 HB3 ARG 52 8.506 -16.874 3.577 359 HG2 ARG 52 HG2 ARG 52 6.600 -18.333 4.272 360 HG3 ARG 52 HG3 ARG 52 7.294 -19.646 3.322 361 HD2 ARG 52 HD2 ARG 52 7.857 -19.923 5.675 362 HD3 ARG 52 HD3 ARG 52 9.322 -19.588 4.748 363 HE ARG 52 HE ARG 52 8.177 -17.205 5.846 364 HH11 ARG 52 HH11 ARG 52 10.183 -19.964 6.700 365 HH12 ARG 52 HH12 ARG 52 10.991 -19.133 7.982 366 HH21 ARG 52 HH21 ARG 52 9.260 -16.123 7.520 367 HH22 ARG 52 HH22 ARG 52 10.464 -16.950 8.452 368 H TYR 53 H TYR 53 5.003 -18.379 1.798 369 HA TYR 53 HA TYR 53 5.772 -20.862 0.600 370 HB2 TYR 53 HB2 TYR 53 3.807 -20.304 2.284 371 HB3 TYR 53 HB3 TYR 53 2.876 -19.997 0.827 372 HD1 TYR 53 HD1 TYR 53 5.183 -22.603 2.258 373 HD2 TYR 53 HD2 TYR 53 1.640 -21.846 -0.011 374 HE1 TYR 53 HE1 TYR 53 4.742 -25.013 2.143 375 HE2 TYR 53 HE2 TYR 53 1.207 -24.259 -0.127 376 HH TYR 53 HH TYR 53 2.778 -26.508 1.823 377 HA PRO 54 HA PRO 54 5.306 -19.233 -3.562 378 HB2 PRO 54 HB2 PRO 54 6.689 -21.109 -4.862 379 HB3 PRO 54 HB3 PRO 54 7.474 -20.088 -3.648 380 HG2 PRO 54 HG2 PRO 54 6.598 -22.943 -3.451 381 HG3 PRO 54 HG3 PRO 54 7.989 -22.142 -2.699 382 HD2 PRO 54 HD2 PRO 54 5.442 -22.665 -1.489 383 HD3 PRO 54 HD3 PRO 54 6.777 -21.708 -0.811 384 H LEU 55 H LEU 55 3.195 -21.304 -2.400 385 HA LEU 55 HA LEU 55 2.023 -22.114 -4.983 386 HB2 LEU 55 HB2 LEU 55 1.333 -22.874 -2.113 387 HB3 LEU 55 HB3 LEU 55 0.342 -23.332 -3.486 388 HG LEU 55 HG LEU 55 3.190 -24.235 -2.913 389 HD11 LEU 55 HD11 LEU 55 2.218 -26.488 -2.790 390 HD12 LEU 55 HD12 LEU 55 0.604 -25.825 -3.065 391 HD13 LEU 55 HD13 LEU 55 1.495 -25.409 -1.600 392 HD21 LEU 55 HD21 LEU 55 3.069 -25.602 -4.968 393 HD22 LEU 55 HD22 LEU 55 2.997 -23.878 -5.323 394 HD23 LEU 55 HD23 LEU 55 1.524 -24.849 -5.380 395 HA PRO 56 HA PRO 56 -0.835 -18.803 -5.475 396 HB2 PRO 56 HB2 PRO 56 -3.083 -20.840 -5.416 397 HB3 PRO 56 HB3 PRO 56 -2.768 -19.545 -6.584 398 HG2 PRO 56 HG2 PRO 56 -2.146 -22.043 -7.200 399 HG3 PRO 56 HG3 PRO 56 -1.021 -20.730 -7.617 400 HD2 PRO 56 HD2 PRO 56 -0.858 -22.733 -5.375 401 HD3 PRO 56 HD3 PRO 56 0.442 -22.070 -6.389 402 H LEU 57 H LEU 57 -2.330 -21.174 -3.220 403 HA LEU 57 HA LEU 57 -3.472 -21.013 -1.279 404 HB2 LEU 57 HB2 LEU 57 -1.814 -18.482 -0.891 405 HB3 LEU 57 HB3 LEU 57 -2.736 -19.277 0.379 406 HG LEU 57 HG LEU 57 -0.335 -20.461 -1.079 407 HD11 LEU 57 HD11 LEU 57 0.316 -18.680 0.465 408 HD12 LEU 57 HD12 LEU 57 0.840 -20.248 1.064 409 HD13 LEU 57 HD13 LEU 57 -0.569 -19.459 1.781 410 HD21 LEU 57 HD21 LEU 57 -1.898 -22.235 -0.483 411 HD22 LEU 57 HD22 LEU 57 -1.987 -21.648 1.178 412 HD23 LEU 57 HD23 LEU 57 -0.475 -22.318 0.555 413 H ARG 58 H ARG 58 -4.678 -19.878 -3.653 414 HA ARG 58 HA ARG 58 -5.965 -17.356 -3.023 415 HB2 ARG 58 HB2 ARG 58 -6.398 -19.280 -5.337 416 HB3 ARG 58 HB3 ARG 58 -7.122 -17.680 -5.221 417 HG2 ARG 58 HG2 ARG 58 -4.151 -18.284 -5.425 418 HG3 ARG 58 HG3 ARG 58 -5.179 -17.699 -6.736 419 HD2 ARG 58 HD2 ARG 58 -4.484 -16.210 -4.177 420 HD3 ARG 58 HD3 ARG 58 -3.856 -15.865 -5.792 421 HE ARG 58 HE ARG 58 -6.750 -15.734 -5.483 422 HH11 ARG 58 HH11 ARG 58 -3.772 -13.872 -5.593 423 HH12 ARG 58 HH12 ARG 58 -4.599 -12.361 -5.790 424 HH21 ARG 58 HH21 ARG 58 -7.804 -13.756 -5.748 425 HH22 ARG 58 HH22 ARG 58 -6.878 -12.300 -5.898 426 H SER 59 H SER 59 -6.584 -20.492 -2.093 427 HA SER 59 HA SER 59 -9.337 -19.775 -1.267 428 HB2 SER 59 HB2 SER 59 -8.233 -22.562 -1.852 429 HB3 SER 59 HB3 SER 59 -9.860 -22.206 -1.263 430 HG SER 59 HG SER 59 -9.115 -20.844 -3.552 431 H GLY 60 H GLY 60 -9.809 -20.134 0.929 432 HA2 GLY 60 HA2 GLY 60 -7.659 -20.152 2.814 433 HA3 GLY 60 HA3 GLY 60 -9.374 -20.288 3.189 434 H LYS 61 H LYS 61 -9.551 -22.641 1.324 435 HA LYS 61 HA LYS 61 -9.046 -24.847 2.992 436 HB2 LYS 61 HB2 LYS 61 -10.700 -24.868 1.161 437 HB3 LYS 61 HB3 LYS 61 -9.413 -24.700 -0.029 438 HG2 LYS 61 HG2 LYS 61 -8.521 -26.922 0.682 439 HG3 LYS 61 HG3 LYS 61 -9.888 -27.089 1.786 440 HD2 LYS 61 HD2 LYS 61 -11.455 -27.050 -0.114 441 HD3 LYS 61 HD3 LYS 61 -10.117 -26.789 -1.240 442 HE2 LYS 61 HE2 LYS 61 -10.561 -29.260 0.479 443 HE3 LYS 61 HE3 LYS 61 -10.806 -29.138 -1.264 444 HZ1 LYS 61 HZ1 LYS 61 -8.223 -28.910 0.183 445 HZ2 LYS 61 HZ2 LYS 61 -8.410 -28.636 -1.473 446 HZ3 LYS 61 HZ3 LYS 61 -8.709 -30.171 -0.832 447 H GLU 62 H GLU 62 -7.058 -23.244 0.531 448 HA GLU 62 HA GLU 62 -4.959 -25.222 0.411 449 HB2 GLU 62 HB2 GLU 62 -4.960 -22.288 -0.428 450 HB3 GLU 62 HB3 GLU 62 -3.678 -23.438 -0.796 451 HG2 GLU 62 HG2 GLU 62 -5.231 -24.761 -2.168 452 HG3 GLU 62 HG3 GLU 62 -6.551 -23.661 -1.762 453 H ALA 63 H ALA 63 -5.748 -22.734 2.650 454 HA ALA 63 HA ALA 63 -3.125 -22.292 3.777 455 HB1 ALA 63 HB1 ALA 63 -4.357 -21.111 5.567 456 HB2 ALA 63 HB2 ALA 63 -5.886 -21.716 4.925 457 HB3 ALA 63 HB3 ALA 63 -4.905 -20.604 3.969 458 H LYS 64 H LYS 64 -5.454 -24.785 4.029 459 HA LYS 64 HA LYS 64 -5.190 -25.727 6.668 460 HB2 LYS 64 HB2 LYS 64 -7.027 -26.414 5.227 461 HB3 LYS 64 HB3 LYS 64 -5.915 -27.136 4.077 462 HG2 LYS 64 HG2 LYS 64 -7.066 -28.856 5.334 463 HG3 LYS 64 HG3 LYS 64 -5.340 -28.891 5.699 464 HD2 LYS 64 HD2 LYS 64 -5.772 -27.723 7.843 465 HD3 LYS 64 HD3 LYS 64 -7.500 -27.658 7.466 466 HE2 LYS 64 HE2 LYS 64 -7.597 -30.129 7.481 467 HE3 LYS 64 HE3 LYS 64 -5.867 -30.200 7.826 468 HZ1 LYS 64 HZ1 LYS 64 -6.254 -29.151 9.935 469 HZ2 LYS 64 HZ2 LYS 64 -7.254 -30.501 9.788 470 HZ3 LYS 64 HZ3 LYS 64 -7.898 -28.953 9.594 471 H ILE 65 H ILE 65 -3.320 -26.479 3.728 472 HA ILE 65 HA ILE 65 -1.984 -28.777 4.718 473 HB ILE 65 HB ILE 65 -0.444 -28.561 2.793 474 HG12 ILE 65 HG12 ILE 65 -1.860 -25.918 2.229 475 HG13 ILE 65 HG13 ILE 65 -0.189 -26.085 2.749 476 HG21 ILE 65 HG21 ILE 65 -2.138 -28.791 1.009 477 HG22 ILE 65 HG22 ILE 65 -3.357 -28.082 2.072 478 HG23 ILE 65 HG23 ILE 65 -2.626 -29.637 2.481 479 HD11 ILE 65 HD11 ILE 65 0.326 -27.234 0.628 480 HD12 ILE 65 HD12 ILE 65 -0.313 -25.608 0.388 481 HD13 ILE 65 HD13 ILE 65 -1.351 -27.007 0.123 482 H LEU 66 H LEU 66 -1.352 -25.383 5.133 483 HA LEU 66 HA LEU 66 1.256 -25.850 6.387 484 HB2 LEU 66 HB2 LEU 66 -0.293 -23.231 6.259 485 HB3 LEU 66 HB3 LEU 66 1.387 -23.456 6.710 486 HG LEU 66 HG LEU 66 1.574 -24.375 4.187 487 HD11 LEU 66 HD11 LEU 66 -0.824 -24.188 3.666 488 HD12 LEU 66 HD12 LEU 66 0.140 -23.140 2.626 489 HD13 LEU 66 HD13 LEU 66 -0.764 -22.450 3.978 490 HD21 LEU 66 HD21 LEU 66 1.482 -21.428 4.882 491 HD22 LEU 66 HD22 LEU 66 2.286 -22.139 3.481 492 HD23 LEU 66 HD23 LEU 66 2.856 -22.511 5.105 493 H GLN 67 H GLN 67 1.141 -26.708 8.356 494 HA GLN 67 HA GLN 67 -1.054 -26.513 10.172 495 HB2 GLN 67 HB2 GLN 67 1.820 -27.376 10.696 496 HB3 GLN 67 HB3 GLN 67 0.440 -27.690 11.749 497 HG2 GLN 67 HG2 GLN 67 -0.568 -29.128 10.044 498 HG3 GLN 67 HG3 GLN 67 0.739 -28.753 8.920 499 HE21 GLN 67 HE21 GLN 67 1.370 -30.895 8.711 500 HE22 GLN 67 HE22 GLN 67 2.142 -31.787 9.974 501 H HIS 68 H HIS 68 1.631 -24.468 9.494 502 HA HIS 68 HA HIS 68 2.094 -23.048 11.855 503 HB2 HIS 68 HB2 HIS 68 2.090 -22.027 8.980 504 HB3 HIS 68 HB3 HIS 68 2.776 -21.146 10.342 505 HD1 HIS 68 HD1 HIS 68 4.010 -22.865 7.633 506 HD2 HIS 68 HD2 HIS 68 4.682 -23.295 11.713 507 HE1 HIS 68 HE1 HIS 68 6.240 -24.002 7.828 508 HE2 HIS 68 HE2 HIS 68 6.685 -24.124 10.304 509 H PHE 69 H PHE 69 -0.570 -22.828 9.571 510 HA PHE 69 HA PHE 69 -1.874 -20.574 10.852 511 HB2 PHE 69 HB2 PHE 69 -2.964 -22.614 8.846 512 HB3 PHE 69 HB3 PHE 69 -3.804 -21.174 9.372 513 HD1 PHE 69 HD1 PHE 69 -0.288 -21.789 8.110 514 HD2 PHE 69 HD2 PHE 69 -3.937 -19.626 7.606 515 HE1 PHE 69 HE1 PHE 69 0.702 -20.526 6.249 516 HE2 PHE 69 HE2 PHE 69 -2.924 -18.376 5.752 517 HZ PHE 69 HZ PHE 69 -0.616 -18.827 5.071 518 H GLY 70 H GLY 70 -2.530 -24.068 10.519 519 HA2 GLY 70 HA2 GLY 70 -3.200 -25.579 12.191 520 HA3 GLY 70 HA3 GLY 70 -3.643 -24.238 13.239 521 H ASP 71 H ASP 71 -5.441 -26.188 13.171 522 HA ASP 71 HA ASP 71 -7.308 -26.354 11.086 523 HB2 ASP 71 HB2 ASP 71 -7.652 -26.810 14.078 524 HB3 ASP 71 HB3 ASP 71 -8.922 -27.166 12.913 525 H ARG 72 H ARG 72 -7.406 -24.334 14.014 526 HA ARG 72 HA ARG 72 -10.017 -23.269 13.641 527 HB2 ARG 72 HB2 ARG 72 -7.716 -22.137 15.287 528 HB3 ARG 72 HB3 ARG 72 -9.416 -21.691 15.449 529 HG2 ARG 72 HG2 ARG 72 -9.954 -23.983 16.175 530 HG3 ARG 72 HG3 ARG 72 -8.261 -24.450 15.987 531 HD2 ARG 72 HD2 ARG 72 -7.611 -22.890 17.760 532 HD3 ARG 72 HD3 ARG 72 -9.280 -22.328 17.911 533 HE ARG 72 HE ARG 72 -9.202 -25.123 18.280 534 HH11 ARG 72 HH11 ARG 72 -8.266 -22.179 19.990 535 HH12 ARG 72 HH12 ARG 72 -8.419 -22.915 21.553 536 HH21 ARG 72 HH21 ARG 72 -9.369 -26.049 20.319 537 HH22 ARG 72 HH22 ARG 72 -9.031 -25.110 21.735 538 H LEU 73 H LEU 73 -6.789 -21.937 12.993 539 HA LEU 73 HA LEU 73 -7.669 -19.393 12.060 540 HB2 LEU 73 HB2 LEU 73 -5.381 -20.023 12.983 541 HB3 LEU 73 HB3 LEU 73 -5.025 -20.768 11.439 542 HG LEU 73 HG LEU 73 -5.687 -17.814 11.709 543 HD11 LEU 73 HD11 LEU 73 -3.739 -18.285 13.096 544 HD12 LEU 73 HD12 LEU 73 -3.296 -17.342 11.679 545 HD13 LEU 73 HD13 LEU 73 -2.937 -19.071 11.732 546 HD21 LEU 73 HD21 LEU 73 -4.348 -19.359 9.479 547 HD22 LEU 73 HD22 LEU 73 -4.444 -17.603 9.558 548 HD23 LEU 73 HD23 LEU 73 -5.916 -18.556 9.422 549 H CYS 74 H CYS 74 -6.737 -22.413 10.422 550 HA CYS 74 HA CYS 74 -6.966 -21.583 7.744 551 HB2 CYS 74 HB2 CYS 74 -5.985 -23.745 8.250 552 HB3 CYS 74 HB3 CYS 74 -7.486 -24.319 8.972 553 HG CYS 74 HG CYS 74 -7.868 -23.295 5.840 554 H ARG 75 H ARG 75 -9.396 -22.637 10.079 555 HA ARG 75 HA ARG 75 -11.632 -22.681 8.299 556 HB2 ARG 75 HB2 ARG 75 -11.654 -23.909 10.453 557 HB3 ARG 75 HB3 ARG 75 -11.557 -22.393 11.335 558 HG2 ARG 75 HG2 ARG 75 -13.840 -23.272 11.375 559 HG3 ARG 75 HG3 ARG 75 -13.783 -21.737 10.509 560 HD2 ARG 75 HD2 ARG 75 -13.703 -23.069 8.353 561 HD3 ARG 75 HD3 ARG 75 -14.009 -24.522 9.313 562 HE ARG 75 HE ARG 75 -16.028 -22.786 10.002 563 HH11 ARG 75 HH11 ARG 75 -14.934 -24.155 6.951 564 HH12 ARG 75 HH12 ARG 75 -16.512 -24.115 6.231 565 HH21 ARG 75 HH21 ARG 75 -18.075 -22.716 9.043 566 HH22 ARG 75 HH22 ARG 75 -18.300 -23.293 7.423 567 H MET 76 H MET 76 -10.224 -20.179 10.433 568 HA MET 76 HA MET 76 -12.250 -18.199 10.260 569 HB2 MET 76 HB2 MET 76 -9.229 -17.975 10.679 570 HB3 MET 76 HB3 MET 76 -10.317 -16.605 10.841 571 HG2 MET 76 HG2 MET 76 -10.577 -19.109 12.510 572 HG3 MET 76 HG3 MET 76 -9.598 -17.728 12.985 573 HE1 MET 76 HE1 MET 76 -12.317 -14.924 13.455 574 HE2 MET 76 HE2 MET 76 -11.357 -15.228 12.009 575 HE3 MET 76 HE3 MET 76 -10.603 -15.322 13.603 576 H LEU 77 H LEU 77 -9.355 -18.837 8.411 577 HA LEU 77 HA LEU 77 -9.471 -16.550 6.701 578 HB2 LEU 77 HB2 LEU 77 -7.465 -18.099 7.559 579 HB3 LEU 77 HB3 LEU 77 -7.814 -19.015 6.109 580 HG LEU 77 HG LEU 77 -7.385 -16.980 4.733 581 HD11 LEU 77 HD11 LEU 77 -6.352 -14.985 5.757 582 HD12 LEU 77 HD12 LEU 77 -6.626 -15.672 7.362 583 HD13 LEU 77 HD13 LEU 77 -7.999 -15.245 6.339 584 HD21 LEU 77 HD21 LEU 77 -5.110 -17.716 6.602 585 HD22 LEU 77 HD22 LEU 77 -4.940 -16.939 5.023 586 HD23 LEU 77 HD23 LEU 77 -5.571 -18.582 5.133 587 H ASP 78 H ASP 78 -10.440 -19.908 6.498 588 HA ASP 78 HA ASP 78 -11.064 -20.039 3.708 589 HB2 ASP 78 HB2 ASP 78 -10.661 -22.071 5.112 590 HB3 ASP 78 HB3 ASP 78 -12.146 -21.742 5.996 591 H GLU 79 H GLU 79 -12.916 -19.305 6.619 592 HA GLU 79 HA GLU 79 -15.472 -19.025 5.416 593 HB2 GLU 79 HB2 GLU 79 -14.312 -17.949 8.023 594 HB3 GLU 79 HB3 GLU 79 -15.979 -17.630 7.538 595 HG2 GLU 79 HG2 GLU 79 -16.462 -20.026 7.514 596 HG3 GLU 79 HG3 GLU 79 -14.792 -20.396 7.937 597 H LYS 80 H LYS 80 -12.897 -16.674 6.143 598 HA LYS 80 HA LYS 80 -14.245 -14.340 5.272 599 HB2 LYS 80 HB2 LYS 80 -11.262 -14.957 5.323 600 HB3 LYS 80 HB3 LYS 80 -11.934 -13.359 5.003 601 HG2 LYS 80 HG2 LYS 80 -12.178 -14.942 7.569 602 HG3 LYS 80 HG3 LYS 80 -11.179 -13.516 7.297 603 HD2 LYS 80 HD2 LYS 80 -14.222 -13.615 7.273 604 HD3 LYS 80 HD3 LYS 80 -13.217 -12.959 8.565 605 HE2 LYS 80 HE2 LYS 80 -12.406 -11.193 7.035 606 HE3 LYS 80 HE3 LYS 80 -13.398 -11.865 5.731 607 HZ1 LYS 80 HZ1 LYS 80 -15.370 -11.401 7.027 608 HZ2 LYS 80 HZ2 LYS 80 -14.465 -9.990 6.814 609 HZ3 LYS 80 HZ3 LYS 80 -14.434 -10.797 8.298 610 H LEU 81 H LEU 81 -12.028 -16.537 3.532 611 HA LEU 81 HA LEU 81 -12.059 -15.260 1.023 612 HB2 LEU 81 HB2 LEU 81 -10.432 -16.986 1.665 613 HB3 LEU 81 HB3 LEU 81 -11.688 -18.199 1.726 614 HG LEU 81 HG LEU 81 -10.042 -18.163 -0.289 615 HD11 LEU 81 HD11 LEU 81 -11.942 -19.648 -0.214 616 HD12 LEU 81 HD12 LEU 81 -11.699 -19.032 -1.846 617 HD13 LEU 81 HD13 LEU 81 -13.002 -18.384 -0.844 618 HD21 LEU 81 HD21 LEU 81 -10.213 -15.771 -0.808 619 HD22 LEU 81 HD22 LEU 81 -11.907 -15.984 -1.272 620 HD23 LEU 81 HD23 LEU 81 -10.628 -16.780 -2.196 621 H LYS 82 H LYS 82 -14.163 -17.728 2.426 622 HA LYS 82 HA LYS 82 -15.884 -18.143 0.221 623 HB2 LYS 82 HB2 LYS 82 -15.711 -19.715 2.116 624 HB3 LYS 82 HB3 LYS 82 -16.388 -18.524 3.213 625 HG2 LYS 82 HG2 LYS 82 -18.027 -19.413 0.840 626 HG3 LYS 82 HG3 LYS 82 -17.864 -20.506 2.215 627 HD2 LYS 82 HD2 LYS 82 -18.853 -18.804 3.708 628 HD3 LYS 82 HD3 LYS 82 -18.938 -17.651 2.372 629 HE2 LYS 82 HE2 LYS 82 -20.438 -20.296 2.504 630 HE3 LYS 82 HE3 LYS 82 -21.133 -18.708 2.823 631 HZ1 LYS 82 HZ1 LYS 82 -19.935 -19.538 0.233 632 HZ2 LYS 82 HZ2 LYS 82 -20.705 -18.070 0.561 633 HZ3 LYS 82 HZ3 LYS 82 -21.593 -19.506 0.572 634 H GLN 83 H GLN 83 -15.890 -15.722 2.847 635 HA GLN 83 HA GLN 83 -18.511 -14.688 2.304 636 HB2 GLN 83 HB2 GLN 83 -16.163 -13.473 3.827 637 HB3 GLN 83 HB3 GLN 83 -17.748 -12.708 3.701 638 HG2 GLN 83 HG2 GLN 83 -18.746 -14.716 4.800 639 HG3 GLN 83 HG3 GLN 83 -17.127 -15.363 5.009 640 HE21 GLN 83 HE21 GLN 83 -19.374 -12.908 6.049 641 HE22 GLN 83 HE22 GLN 83 -18.501 -12.410 7.455 642 H HIS 84 H HIS 84 -15.226 -13.880 1.223 643 HA HIS 84 HA HIS 84 -15.901 -11.566 -0.293 644 HB2 HIS 84 HB2 HIS 84 -13.549 -12.033 0.307 645 HB3 HIS 84 HB3 HIS 84 -13.564 -13.495 -0.680 646 HD1 HIS 84 HD1 HIS 84 -12.878 -13.217 -3.073 647 HD2 HIS 84 HD2 HIS 84 -13.927 -9.589 -1.329 648 HE1 HIS 84 HE1 HIS 84 -12.407 -11.473 -4.822 649 HE2 HIS 84 HE2 HIS 84 -12.938 -9.272 -3.703 650 H LEU 85 H LEU 85 -15.900 -15.034 -1.095 651 HA LEU 85 HA LEU 85 -16.536 -14.671 -3.893 652 HB2 LEU 85 HB2 LEU 85 -16.787 -17.116 -2.097 653 HB3 LEU 85 HB3 LEU 85 -17.047 -17.135 -3.836 654 HG LEU 85 HG LEU 85 -14.410 -16.560 -2.422 655 HD11 LEU 85 HD11 LEU 85 -15.256 -18.940 -4.103 656 HD12 LEU 85 HD12 LEU 85 -15.040 -18.918 -2.350 657 HD13 LEU 85 HD13 LEU 85 -13.654 -18.670 -3.406 658 HD21 LEU 85 HD21 LEU 85 -14.985 -16.634 -5.405 659 HD22 LEU 85 HD22 LEU 85 -13.387 -16.508 -4.662 660 HD23 LEU 85 HD23 LEU 85 -14.556 -15.209 -4.454 661 H ALA 86 H ALA 86 -18.332 -15.076 -0.925 662 HA ALA 86 HA ALA 86 -20.908 -15.658 -2.025 663 HB1 ALA 86 HB1 ALA 86 -20.266 -16.315 0.273 664 HB2 ALA 86 HB2 ALA 86 -21.711 -15.298 0.288 665 HB3 ALA 86 HB3 ALA 86 -20.143 -14.614 0.736 666 H SER 87 H SER 87 -19.160 -12.743 -1.140 667 HA SER 87 HA SER 87 -21.471 -10.991 -1.639 668 HB2 SER 87 HB2 SER 87 -18.667 -10.357 -0.614 669 HB3 SER 87 HB3 SER 87 -20.022 -9.222 -0.691 670 HG SER 87 HG SER 87 -21.142 -10.757 0.728 671 H GLY 88 H GLY 88 -18.562 -12.080 -3.188 672 HA2 GLY 88 HA2 GLY 88 -17.634 -11.598 -5.254 673 HA3 GLY 88 HA3 GLY 88 -18.921 -10.433 -5.553 674 H GLY 89 H GLY 89 -18.801 -8.367 -4.361 675 HA2 GLY 89 HA2 GLY 89 -17.038 -7.156 -2.832 676 HA3 GLY 89 HA3 GLY 89 -16.054 -7.310 -4.283 677 H ASP 90 H ASP 90 -18.756 -5.706 -2.800 678 HA ASP 90 HA ASP 90 -19.844 -4.306 -4.972 679 HB2 ASP 90 HB2 ASP 90 -20.997 -4.400 -2.818 680 HB3 ASP 90 HB3 ASP 90 -19.700 -3.511 -2.031 Start of MODEL 6 1 H ARG 11 H ARG 11 -4.574 3.296 -3.545 2 HA ARG 11 HA ARG 11 -4.190 0.647 -2.308 3 HB2 ARG 11 HB2 ARG 11 -6.204 -0.116 -3.474 4 HB3 ARG 11 HB3 ARG 11 -6.608 1.209 -2.400 5 HG2 ARG 11 HG2 ARG 11 -6.211 1.560 -5.392 6 HG3 ARG 11 HG3 ARG 11 -7.771 1.186 -4.661 7 HD2 ARG 11 HD2 ARG 11 -7.705 3.286 -3.394 8 HD3 ARG 11 HD3 ARG 11 -6.107 3.653 -4.053 9 HE ARG 11 HE ARG 11 -8.030 3.243 -6.117 10 HH11 ARG 11 HH11 ARG 11 -6.895 5.701 -3.856 11 HH12 ARG 11 HH12 ARG 11 -7.547 7.011 -4.784 12 HH21 ARG 11 HH21 ARG 11 -8.870 4.969 -7.298 13 HH22 ARG 11 HH22 ARG 11 -8.676 6.594 -6.726 14 HA PRO 12 HA PRO 12 -1.782 -0.216 -6.096 15 HB2 PRO 12 HB2 PRO 12 -2.815 -3.024 -5.692 16 HB3 PRO 12 HB3 PRO 12 -1.155 -2.456 -5.926 17 HG2 PRO 12 HG2 PRO 12 -1.973 -3.208 -3.501 18 HG3 PRO 12 HG3 PRO 12 -0.922 -1.786 -3.689 19 HD2 PRO 12 HD2 PRO 12 -3.910 -1.885 -3.230 20 HD3 PRO 12 HD3 PRO 12 -2.691 -0.818 -2.488 21 H LEU 13 H LEU 13 -2.296 -0.241 -8.221 22 HA LEU 13 HA LEU 13 -4.888 0.078 -9.229 23 HB2 LEU 13 HB2 LEU 13 -2.832 0.854 -10.375 24 HB3 LEU 13 HB3 LEU 13 -2.347 -0.808 -10.659 25 HG LEU 13 HG LEU 13 -4.348 -1.086 -12.165 26 HD11 LEU 13 HD11 LEU 13 -4.701 1.907 -11.811 27 HD12 LEU 13 HD12 LEU 13 -5.809 0.652 -11.250 28 HD13 LEU 13 HD13 LEU 13 -5.553 0.888 -12.976 29 HD21 LEU 13 HD21 LEU 13 -2.138 -0.592 -13.097 30 HD22 LEU 13 HD22 LEU 13 -2.439 1.142 -12.942 31 HD23 LEU 13 HD23 LEU 13 -3.407 0.170 -14.055 32 HA PRO 14 HA PRO 14 -6.163 -4.250 -8.817 33 HB2 PRO 14 HB2 PRO 14 -8.660 -4.072 -9.979 34 HB3 PRO 14 HB3 PRO 14 -8.301 -3.512 -8.341 35 HG2 PRO 14 HG2 PRO 14 -8.464 -1.920 -10.892 36 HG3 PRO 14 HG3 PRO 14 -9.123 -1.531 -9.292 37 HD2 PRO 14 HD2 PRO 14 -6.816 -0.421 -10.184 38 HD3 PRO 14 HD3 PRO 14 -7.059 -0.810 -8.464 39 H VAL 15 H VAL 15 -4.449 -4.865 -10.273 40 HA VAL 15 HA VAL 15 -5.262 -5.694 -12.983 41 HB VAL 15 HB VAL 15 -2.603 -6.036 -11.504 42 HG11 VAL 15 HG11 VAL 15 -3.229 -6.541 -14.442 43 HG12 VAL 15 HG12 VAL 15 -2.902 -7.779 -13.226 44 HG13 VAL 15 HG13 VAL 15 -1.632 -6.647 -13.696 45 HG21 VAL 15 HG21 VAL 15 -3.343 -4.009 -13.650 46 HG22 VAL 15 HG22 VAL 15 -1.738 -4.219 -12.943 47 HG23 VAL 15 HG23 VAL 15 -3.078 -3.659 -11.938 48 H CYS 16 H CYS 16 -4.152 -6.919 -9.872 49 HA CYS 16 HA CYS 16 -5.650 -9.435 -10.213 50 HB2 CYS 16 HB2 CYS 16 -2.855 -9.189 -8.999 51 HB3 CYS 16 HB3 CYS 16 -3.805 -10.674 -9.144 52 HG CYS 16 HG CYS 16 -3.788 -9.830 -12.137 53 HA PRO 17 HA PRO 17 -7.305 -7.568 -6.498 54 HB2 PRO 17 HB2 PRO 17 -9.238 -9.326 -5.872 55 HB3 PRO 17 HB3 PRO 17 -9.305 -8.400 -7.380 56 HG2 PRO 17 HG2 PRO 17 -8.325 -11.235 -6.949 57 HG3 PRO 17 HG3 PRO 17 -9.463 -10.630 -8.174 58 HD2 PRO 17 HD2 PRO 17 -6.807 -11.016 -8.707 59 HD3 PRO 17 HD3 PRO 17 -7.765 -9.748 -9.503 60 H ASN 18 H ASN 18 -5.206 -10.117 -6.324 61 HA ASN 18 HA ASN 18 -3.908 -11.001 -4.700 62 HB2 ASN 18 HB2 ASN 18 -5.418 -9.153 -2.785 63 HB3 ASN 18 HB3 ASN 18 -3.997 -10.094 -2.349 64 HD21 ASN 18 HD21 ASN 18 -5.165 -7.327 -4.158 65 HD22 ASN 18 HD22 ASN 18 -3.618 -6.614 -4.459 66 HA PRO 19 HA PRO 19 -6.312 -14.389 -2.794 67 HB2 PRO 19 HB2 PRO 19 -4.849 -15.064 -0.569 68 HB3 PRO 19 HB3 PRO 19 -4.348 -15.492 -2.210 69 HG2 PRO 19 HG2 PRO 19 -3.458 -13.152 -0.513 70 HG3 PRO 19 HG3 PRO 19 -2.462 -14.296 -1.445 71 HD2 PRO 19 HD2 PRO 19 -3.058 -11.865 -2.440 72 HD3 PRO 19 HD3 PRO 19 -3.002 -13.291 -3.502 73 H LEU 20 H LEU 20 -5.575 -11.486 -1.112 74 HA LEU 20 HA LEU 20 -6.487 -10.203 0.458 75 HB2 LEU 20 HB2 LEU 20 -8.817 -12.130 0.301 76 HB3 LEU 20 HB3 LEU 20 -8.782 -10.846 1.492 77 HG LEU 20 HG LEU 20 -8.520 -9.213 -0.491 78 HD11 LEU 20 HD11 LEU 20 -7.888 -10.806 -2.227 79 HD12 LEU 20 HD12 LEU 20 -9.363 -9.943 -2.660 80 HD13 LEU 20 HD13 LEU 20 -9.457 -11.609 -2.083 81 HD21 LEU 20 HD21 LEU 20 -11.120 -10.748 -0.215 82 HD22 LEU 20 HD22 LEU 20 -10.935 -9.126 -0.890 83 HD23 LEU 20 HD23 LEU 20 -10.587 -9.413 0.813 84 H PHE 21 H PHE 21 -6.270 -13.641 1.237 85 HA PHE 21 HA PHE 21 -6.448 -13.706 3.982 86 HB2 PHE 21 HB2 PHE 21 -4.486 -15.271 2.251 87 HB3 PHE 21 HB3 PHE 21 -4.925 -15.678 3.906 88 HD1 PHE 21 HD1 PHE 21 -7.251 -16.440 4.420 89 HD2 PHE 21 HD2 PHE 21 -5.911 -15.905 0.409 90 HE1 PHE 21 HE1 PHE 21 -9.075 -17.851 3.609 91 HE2 PHE 21 HE2 PHE 21 -7.738 -17.311 -0.377 92 HZ PHE 21 HZ PHE 21 -9.317 -18.285 1.221 93 H VAL 22 H VAL 22 -3.720 -12.655 2.019 94 HA VAL 22 HA VAL 22 -1.782 -12.593 4.086 95 HB VAL 22 HB VAL 22 -1.146 -12.732 1.731 96 HG11 VAL 22 HG11 VAL 22 -2.869 -11.313 0.693 97 HG12 VAL 22 HG12 VAL 22 -1.252 -10.825 0.178 98 HG13 VAL 22 HG13 VAL 22 -2.117 -9.872 1.388 99 HG21 VAL 22 HG21 VAL 22 0.508 -11.871 3.330 100 HG22 VAL 22 HG22 VAL 22 -0.040 -10.219 3.030 101 HG23 VAL 22 HG23 VAL 22 0.732 -11.141 1.739 102 H ARG 23 H ARG 23 -3.942 -10.075 2.745 103 HA ARG 23 HA ARG 23 -2.886 -7.988 4.432 104 HB2 ARG 23 HB2 ARG 23 -4.433 -6.514 3.446 105 HB3 ARG 23 HB3 ARG 23 -4.048 -7.640 2.153 106 HG2 ARG 23 HG2 ARG 23 -6.195 -8.792 2.495 107 HG3 ARG 23 HG3 ARG 23 -6.563 -7.738 3.862 108 HD2 ARG 23 HD2 ARG 23 -6.407 -6.997 0.923 109 HD3 ARG 23 HD3 ARG 23 -7.798 -6.876 1.998 110 HE ARG 23 HE ARG 23 -5.772 -4.928 1.580 111 HH11 ARG 23 HH11 ARG 23 -7.820 -6.138 4.185 112 HH12 ARG 23 HH12 ARG 23 -7.757 -4.649 5.069 113 HH21 ARG 23 HH21 ARG 23 -5.704 -3.006 2.773 114 HH22 ARG 23 HH22 ARG 23 -6.580 -2.883 4.265 115 H TRP 24 H TRP 24 -5.456 -10.333 4.614 116 HA TRP 24 HA TRP 24 -6.866 -9.329 6.862 117 HB2 TRP 24 HB2 TRP 24 -6.713 -12.042 5.511 118 HB3 TRP 24 HB3 TRP 24 -7.602 -11.851 7.014 119 HD1 TRP 24 HD1 TRP 24 -8.694 -8.821 6.004 120 HE1 TRP 24 HE1 TRP 24 -10.734 -8.826 4.453 121 HE3 TRP 24 HE3 TRP 24 -8.485 -13.665 4.319 122 HZ2 TRP 24 HZ2 TRP 24 -12.081 -10.586 2.759 123 HZ3 TRP 24 HZ3 TRP 24 -10.196 -14.419 2.733 124 HH2 TRP 24 HH2 TRP 24 -11.964 -12.909 1.969 125 H LEU 25 H LEU 25 -4.248 -11.750 6.558 126 HA LEU 25 HA LEU 25 -4.061 -12.373 9.319 127 HB2 LEU 25 HB2 LEU 25 -2.157 -12.734 6.990 128 HB3 LEU 25 HB3 LEU 25 -1.685 -13.188 8.621 129 HG LEU 25 HG LEU 25 -4.088 -14.349 7.156 130 HD11 LEU 25 HD11 LEU 25 -2.015 -15.018 6.041 131 HD12 LEU 25 HD12 LEU 25 -2.761 -16.380 6.870 132 HD13 LEU 25 HD13 LEU 25 -1.351 -15.587 7.578 133 HD21 LEU 25 HD21 LEU 25 -2.765 -15.188 9.760 134 HD22 LEU 25 HD22 LEU 25 -4.116 -16.008 8.967 135 HD23 LEU 25 HD23 LEU 25 -4.327 -14.379 9.602 136 H THR 26 H THR 26 -2.657 -9.807 7.343 137 HA THR 26 HA THR 26 -0.737 -8.903 9.269 138 HB THR 26 HB THR 26 -1.990 -7.273 7.012 139 HG1 THR 26 HG1 THR 26 -0.789 -9.408 6.581 140 HG21 THR 26 HG21 THR 26 -0.735 -5.903 8.651 141 HG22 THR 26 HG22 THR 26 0.112 -5.973 7.104 142 HG23 THR 26 HG23 THR 26 0.672 -6.955 8.461 143 H GLU 27 H GLU 27 -4.005 -7.735 8.329 144 HA GLU 27 HA GLU 27 -4.035 -5.541 10.110 145 HB2 GLU 27 HB2 GLU 27 -6.447 -5.333 9.619 146 HB3 GLU 27 HB3 GLU 27 -5.515 -5.583 8.150 147 HG2 GLU 27 HG2 GLU 27 -6.207 -7.919 8.060 148 HG3 GLU 27 HG3 GLU 27 -7.064 -7.752 9.585 149 H TRP 28 H TRP 28 -5.322 -8.855 10.423 150 HA TRP 28 HA TRP 28 -6.574 -8.405 12.963 151 HB2 TRP 28 HB2 TRP 28 -5.895 -11.022 11.584 152 HB3 TRP 28 HB3 TRP 28 -6.917 -10.863 13.011 153 HD1 TRP 28 HD1 TRP 28 -8.530 -8.208 11.706 154 HE1 TRP 28 HE1 TRP 28 -10.320 -8.720 9.936 155 HE3 TRP 28 HE3 TRP 28 -7.071 -12.941 10.423 156 HZ2 TRP 28 HZ2 TRP 28 -11.042 -10.854 8.236 157 HZ3 TRP 28 HZ3 TRP 28 -8.377 -14.153 8.730 158 HH2 TRP 28 HH2 TRP 28 -10.310 -13.132 7.661 159 H ARG 29 H ARG 29 -3.395 -9.597 11.949 160 HA ARG 29 HA ARG 29 -2.397 -10.531 14.405 161 HB2 ARG 29 HB2 ARG 29 -1.172 -10.718 12.256 162 HB3 ARG 29 HB3 ARG 29 -0.969 -8.970 12.208 163 HG2 ARG 29 HG2 ARG 29 0.338 -9.280 14.442 164 HG3 ARG 29 HG3 ARG 29 0.399 -10.990 14.001 165 HD2 ARG 29 HD2 ARG 29 2.428 -9.759 13.286 166 HD3 ARG 29 HD3 ARG 29 1.544 -10.421 11.903 167 HE ARG 29 HE ARG 29 0.670 -7.775 12.424 168 HH11 ARG 29 HH11 ARG 29 3.513 -9.397 11.135 169 HH12 ARG 29 HH12 ARG 29 3.927 -8.076 10.092 170 HH21 ARG 29 HH21 ARG 29 1.202 -6.089 11.066 171 HH22 ARG 29 HH22 ARG 29 2.619 -6.189 10.064 172 H ASP 30 H ASP 30 -2.424 -7.238 13.030 173 HA ASP 30 HA ASP 30 -1.143 -5.985 15.278 174 HB2 ASP 30 HB2 ASP 30 -2.664 -4.726 12.957 175 HB3 ASP 30 HB3 ASP 30 -1.592 -3.869 14.065 176 H GLU 31 H GLU 31 -4.479 -6.433 14.227 177 HA GLU 31 HA GLU 31 -5.767 -4.844 16.207 178 HB2 GLU 31 HB2 GLU 31 -6.696 -7.184 14.510 179 HB3 GLU 31 HB3 GLU 31 -7.755 -6.445 15.708 180 HG2 GLU 31 HG2 GLU 31 -6.481 -4.990 13.377 181 HG3 GLU 31 HG3 GLU 31 -8.133 -5.602 13.396 182 H ALA 32 H ALA 32 -4.635 -8.181 16.120 183 HA ALA 32 HA ALA 32 -5.762 -8.991 18.608 184 HB1 ALA 32 HB1 ALA 32 -5.086 -10.616 16.899 185 HB2 ALA 32 HB2 ALA 32 -4.252 -10.933 18.423 186 HB3 ALA 32 HB3 ALA 32 -3.397 -10.143 17.090 187 H ALA 33 H ALA 33 -2.726 -7.482 17.657 188 HA ALA 33 HA ALA 33 -1.295 -7.700 20.084 189 HB1 ALA 33 HB1 ALA 33 0.108 -5.889 19.189 190 HB2 ALA 33 HB2 ALA 33 -1.110 -5.539 17.957 191 HB3 ALA 33 HB3 ALA 33 -0.249 -7.078 17.937 192 H SER 34 H SER 34 -3.370 -5.093 18.806 193 HA SER 34 HA SER 34 -2.846 -3.354 21.061 194 HB2 SER 34 HB2 SER 34 -3.019 -2.511 18.719 195 HB3 SER 34 HB3 SER 34 -4.731 -2.934 18.707 196 HG SER 34 HG SER 34 -4.009 -0.678 19.290 197 H ARG 35 H ARG 35 -5.738 -5.062 19.763 198 HA ARG 35 HA ARG 35 -7.511 -4.318 21.877 199 HB2 ARG 35 HB2 ARG 35 -7.600 -6.511 19.788 200 HB3 ARG 35 HB3 ARG 35 -8.791 -6.479 21.073 201 HG2 ARG 35 HG2 ARG 35 -9.723 -5.497 19.072 202 HG3 ARG 35 HG3 ARG 35 -9.568 -4.259 20.315 203 HD2 ARG 35 HD2 ARG 35 -7.426 -4.574 18.203 204 HD3 ARG 35 HD3 ARG 35 -8.920 -3.715 17.829 205 HE ARG 35 HE ARG 35 -7.620 -2.775 20.229 206 HH11 ARG 35 HH11 ARG 35 -7.615 -2.400 16.713 207 HH12 ARG 35 HH12 ARG 35 -7.037 -0.767 16.784 208 HH21 ARG 35 HH21 ARG 35 -6.866 -0.631 20.270 209 HH22 ARG 35 HH22 ARG 35 -6.611 0.226 18.784 210 H GLY 36 H GLY 36 -5.109 -6.861 21.532 211 HA2 GLY 36 HA2 GLY 36 -3.974 -7.710 23.445 212 HA3 GLY 36 HA3 GLY 36 -5.425 -7.499 24.405 213 H ARG 37 H ARG 37 -6.026 -8.923 21.363 214 HA ARG 37 HA ARG 37 -6.764 -11.468 22.420 215 HB2 ARG 37 HB2 ARG 37 -6.350 -10.584 19.532 216 HB3 ARG 37 HB3 ARG 37 -7.044 -12.132 20.001 217 HG2 ARG 37 HG2 ARG 37 -8.248 -9.414 20.647 218 HG3 ARG 37 HG3 ARG 37 -8.744 -10.458 19.310 219 HD2 ARG 37 HD2 ARG 37 -9.377 -12.217 20.949 220 HD3 ARG 37 HD3 ARG 37 -8.922 -11.130 22.268 221 HE ARG 37 HE ARG 37 -10.974 -10.244 20.357 222 HH11 ARG 37 HH11 ARG 37 -10.229 -11.295 23.637 223 HH12 ARG 37 HH12 ARG 37 -11.790 -10.866 24.249 224 HH21 ARG 37 HH21 ARG 37 -12.990 -9.653 21.198 225 HH22 ARG 37 HH22 ARG 37 -13.350 -9.934 22.872 226 H HIS 38 H HIS 38 -5.648 -13.325 22.560 227 HA HIS 38 HA HIS 38 -2.771 -13.262 22.469 228 HB2 HIS 38 HB2 HIS 38 -4.715 -15.511 23.142 229 HB3 HIS 38 HB3 HIS 38 -2.968 -15.612 23.346 230 HD1 HIS 38 HD1 HIS 38 -2.344 -15.284 25.719 231 HD2 HIS 38 HD2 HIS 38 -5.651 -12.974 24.693 232 HE1 HIS 38 HE1 HIS 38 -2.973 -14.041 27.812 233 HE2 HIS 38 HE2 HIS 38 -5.026 -12.721 27.193 234 H THR 39 H THR 39 -5.046 -13.838 20.126 235 HA THR 39 HA THR 39 -3.765 -15.840 18.539 236 HB THR 39 HB THR 39 -5.349 -15.016 16.752 237 HG1 THR 39 HG1 THR 39 -6.605 -13.276 17.131 238 HG21 THR 39 HG21 THR 39 -7.438 -15.680 17.890 239 HG22 THR 39 HG22 THR 39 -6.653 -15.505 19.460 240 HG23 THR 39 HG23 THR 39 -6.110 -16.758 18.342 241 H ARG 40 H ARG 40 -2.759 -12.722 19.266 242 HA ARG 40 HA ARG 40 -1.713 -11.567 16.978 243 HB2 ARG 40 HB2 ARG 40 -1.475 -10.439 19.101 244 HB3 ARG 40 HB3 ARG 40 -0.581 -11.780 19.797 245 HG2 ARG 40 HG2 ARG 40 0.905 -9.893 19.391 246 HG3 ARG 40 HG3 ARG 40 1.363 -11.250 18.363 247 HD2 ARG 40 HD2 ARG 40 0.247 -10.171 16.448 248 HD3 ARG 40 HD3 ARG 40 -0.251 -8.833 17.487 249 HE ARG 40 HE ARG 40 2.596 -9.242 17.460 250 HH11 ARG 40 HH11 ARG 40 -0.011 -7.594 15.759 251 HH12 ARG 40 HH12 ARG 40 1.047 -6.445 15.003 252 HH21 ARG 40 HH21 ARG 40 3.965 -7.735 16.449 253 HH22 ARG 40 HH22 ARG 40 3.292 -6.532 15.391 254 H PHE 41 H PHE 41 -0.506 -14.286 18.832 255 HA PHE 41 HA PHE 41 2.062 -14.453 17.575 256 HB2 PHE 41 HB2 PHE 41 0.652 -16.517 19.314 257 HB3 PHE 41 HB3 PHE 41 2.385 -16.404 19.008 258 HD1 PHE 41 HD1 PHE 41 3.112 -13.662 19.441 259 HD2 PHE 41 HD2 PHE 41 0.204 -15.978 21.558 260 HE1 PHE 41 HE1 PHE 41 3.359 -12.202 21.401 261 HE2 PHE 41 HE2 PHE 41 0.464 -14.508 23.508 262 HZ PHE 41 HZ PHE 41 2.037 -12.619 23.433 263 H VAL 42 H VAL 42 -1.012 -16.250 17.248 264 HA VAL 42 HA VAL 42 0.083 -18.187 15.423 265 HB VAL 42 HB VAL 42 -1.854 -18.689 16.960 266 HG11 VAL 42 HG11 VAL 42 -4.145 -18.098 16.311 267 HG12 VAL 42 HG12 VAL 42 -3.529 -17.111 14.986 268 HG13 VAL 42 HG13 VAL 42 -3.193 -16.650 16.654 269 HG21 VAL 42 HG21 VAL 42 -3.037 -20.158 15.360 270 HG22 VAL 42 HG22 VAL 42 -1.291 -20.192 15.097 271 HG23 VAL 42 HG23 VAL 42 -2.328 -19.261 14.014 272 H PHE 43 H PHE 43 -1.767 -15.167 15.078 273 HA PHE 43 HA PHE 43 -2.113 -15.277 12.244 274 HB2 PHE 43 HB2 PHE 43 -2.143 -12.953 14.208 275 HB3 PHE 43 HB3 PHE 43 -2.357 -12.701 12.481 276 HD1 PHE 43 HD1 PHE 43 -4.127 -15.024 11.788 277 HD2 PHE 43 HD2 PHE 43 -4.254 -12.327 15.104 278 HE1 PHE 43 HE1 PHE 43 -6.555 -15.351 11.965 279 HE2 PHE 43 HE2 PHE 43 -6.684 -12.675 15.283 280 HZ PHE 43 HZ PHE 43 -7.837 -14.184 13.713 281 H GLN 44 H GLN 44 0.494 -14.194 14.358 282 HA GLN 44 HA GLN 44 2.028 -12.734 12.463 283 HB2 GLN 44 HB2 GLN 44 2.365 -12.454 14.867 284 HB3 GLN 44 HB3 GLN 44 2.835 -14.140 15.044 285 HG2 GLN 44 HG2 GLN 44 4.869 -13.697 13.693 286 HG3 GLN 44 HG3 GLN 44 4.390 -12.008 13.542 287 HE21 GLN 44 HE21 GLN 44 4.043 -13.912 16.519 288 HE22 GLN 44 HE22 GLN 44 5.231 -13.035 17.410 289 H LYS 45 H LYS 45 2.278 -16.100 13.647 290 HA LYS 45 HA LYS 45 4.528 -16.749 11.974 291 HB2 LYS 45 HB2 LYS 45 4.268 -19.046 12.854 292 HB3 LYS 45 HB3 LYS 45 4.260 -17.846 14.142 293 HG2 LYS 45 HG2 LYS 45 1.778 -18.014 14.256 294 HG3 LYS 45 HG3 LYS 45 1.819 -19.261 13.007 295 HD2 LYS 45 HD2 LYS 45 3.128 -19.468 15.756 296 HD3 LYS 45 HD3 LYS 45 1.590 -20.205 15.299 297 HE2 LYS 45 HE2 LYS 45 2.799 -21.539 13.562 298 HE3 LYS 45 HE3 LYS 45 4.320 -20.859 14.145 299 HZ1 LYS 45 HZ1 LYS 45 3.916 -23.031 15.072 300 HZ2 LYS 45 HZ2 LYS 45 2.438 -22.523 15.721 301 HZ3 LYS 45 HZ3 LYS 45 3.885 -21.867 16.299 302 H ALA 46 H ALA 46 1.035 -17.136 11.702 303 HA ALA 46 HA ALA 46 0.981 -18.868 9.431 304 HB1 ALA 46 HB1 ALA 46 -1.369 -18.146 9.185 305 HB2 ALA 46 HB2 ALA 46 -1.097 -16.843 10.350 306 HB3 ALA 46 HB3 ALA 46 -0.999 -18.526 10.871 307 H LEU 47 H LEU 47 0.777 -15.344 9.830 308 HA LEU 47 HA LEU 47 0.634 -14.553 7.132 309 HB2 LEU 47 HB2 LEU 47 0.121 -13.025 8.966 310 HB3 LEU 47 HB3 LEU 47 1.761 -13.143 9.575 311 HG LEU 47 HG LEU 47 2.590 -11.961 7.547 312 HD11 LEU 47 HD11 LEU 47 -0.332 -11.614 6.822 313 HD12 LEU 47 HD12 LEU 47 0.865 -12.571 5.943 314 HD13 LEU 47 HD13 LEU 47 1.036 -10.821 6.034 315 HD21 LEU 47 HD21 LEU 47 0.465 -10.448 9.100 316 HD22 LEU 47 HD22 LEU 47 1.783 -9.724 8.174 317 HD23 LEU 47 HD23 LEU 47 2.143 -10.703 9.592 318 H ARG 48 H ARG 48 3.419 -15.032 9.287 319 HA ARG 48 HA ARG 48 5.445 -14.112 7.554 320 HB2 ARG 48 HB2 ARG 48 5.696 -14.447 10.034 321 HB3 ARG 48 HB3 ARG 48 5.691 -16.186 9.782 322 HG2 ARG 48 HG2 ARG 48 7.968 -15.343 10.129 323 HG3 ARG 48 HG3 ARG 48 7.797 -16.025 8.508 324 HD2 ARG 48 HD2 ARG 48 9.087 -13.870 8.562 325 HD3 ARG 48 HD3 ARG 48 7.658 -13.814 7.523 326 HE ARG 48 HE ARG 48 7.317 -12.841 10.258 327 HH11 ARG 48 HH11 ARG 48 7.990 -11.912 6.926 328 HH12 ARG 48 HH12 ARG 48 7.406 -10.295 7.149 329 HH21 ARG 48 HH21 ARG 48 6.517 -10.736 10.488 330 HH22 ARG 48 HH22 ARG 48 6.576 -9.635 9.159 331 H SER 49 H SER 49 4.085 -17.317 8.135 332 HA SER 49 HA SER 49 5.719 -18.869 6.450 333 HB2 SER 49 HB2 SER 49 4.160 -19.773 8.216 334 HB3 SER 49 HB3 SER 49 2.797 -19.367 7.179 335 HG SER 49 HG SER 49 3.923 -20.774 5.582 336 H LEU 50 H LEU 50 2.750 -17.028 5.846 337 HA LEU 50 HA LEU 50 2.300 -17.975 3.177 338 HB2 LEU 50 HB2 LEU 50 0.480 -17.204 4.636 339 HB3 LEU 50 HB3 LEU 50 1.171 -15.593 4.688 340 HG LEU 50 HG LEU 50 0.658 -15.266 2.291 341 HD11 LEU 50 HD11 LEU 50 -0.696 -16.883 1.034 342 HD12 LEU 50 HD12 LEU 50 -0.582 -18.034 2.369 343 HD13 LEU 50 HD13 LEU 50 0.870 -17.559 1.480 344 HD21 LEU 50 HD21 LEU 50 -1.755 -16.204 3.878 345 HD22 LEU 50 HD22 LEU 50 -1.783 -15.132 2.474 346 HD23 LEU 50 HD23 LEU 50 -1.009 -14.605 3.966 347 H GLN 51 H GLN 51 3.929 -15.145 4.567 348 HA GLN 51 HA GLN 51 4.263 -13.625 2.178 349 HB2 GLN 51 HB2 GLN 51 5.775 -13.585 4.822 350 HB3 GLN 51 HB3 GLN 51 6.086 -12.436 3.522 351 HG2 GLN 51 HG2 GLN 51 3.835 -11.537 3.711 352 HG3 GLN 51 HG3 GLN 51 3.408 -12.757 4.909 353 HE21 GLN 51 HE21 GLN 51 4.325 -12.619 7.002 354 HE22 GLN 51 HE22 GLN 51 4.965 -11.132 7.611 355 H ARG 52 H ARG 52 6.196 -16.122 3.752 356 HA ARG 52 HA ARG 52 8.383 -15.871 1.830 357 HB2 ARG 52 HB2 ARG 52 9.487 -17.629 3.124 358 HB3 ARG 52 HB3 ARG 52 8.893 -16.367 4.202 359 HG2 ARG 52 HG2 ARG 52 6.969 -17.788 4.813 360 HG3 ARG 52 HG3 ARG 52 7.542 -19.049 3.721 361 HD2 ARG 52 HD2 ARG 52 9.037 -18.018 6.158 362 HD3 ARG 52 HD3 ARG 52 8.109 -19.521 6.080 363 HE ARG 52 HE ARG 52 9.975 -19.596 4.008 364 HH11 ARG 52 HH11 ARG 52 10.062 -19.530 7.522 365 HH12 ARG 52 HH12 ARG 52 11.530 -20.449 7.614 366 HH21 ARG 52 HH21 ARG 52 11.876 -20.802 4.144 367 HH22 ARG 52 HH22 ARG 52 12.561 -21.167 5.693 368 H TYR 53 H TYR 53 5.435 -17.723 2.158 369 HA TYR 53 HA TYR 53 6.296 -20.046 0.702 370 HB2 TYR 53 HB2 TYR 53 4.342 -19.900 2.404 371 HB3 TYR 53 HB3 TYR 53 3.386 -19.244 1.081 372 HD1 TYR 53 HD1 TYR 53 5.623 -22.157 1.870 373 HD2 TYR 53 HD2 TYR 53 2.161 -20.815 -0.245 374 HE1 TYR 53 HE1 TYR 53 5.170 -24.463 1.155 375 HE2 TYR 53 HE2 TYR 53 1.701 -23.123 -0.956 376 HH TYR 53 HH TYR 53 3.295 -25.838 0.384 377 HA PRO 54 HA PRO 54 6.293 -17.886 -3.243 378 HB2 PRO 54 HB2 PRO 54 6.681 -20.091 -4.887 379 HB3 PRO 54 HB3 PRO 54 7.967 -19.310 -3.958 380 HG2 PRO 54 HG2 PRO 54 6.336 -21.751 -3.254 381 HG3 PRO 54 HG3 PRO 54 8.092 -21.508 -3.129 382 HD2 PRO 54 HD2 PRO 54 6.534 -21.296 -0.958 383 HD3 PRO 54 HD3 PRO 54 7.903 -20.181 -1.198 384 H LEU 55 H LEU 55 4.137 -20.671 -2.744 385 HA LEU 55 HA LEU 55 2.563 -20.226 -5.117 386 HB2 LEU 55 HB2 LEU 55 2.864 -22.479 -4.060 387 HB3 LEU 55 HB3 LEU 55 1.932 -21.933 -2.675 388 HG LEU 55 HG LEU 55 -0.049 -21.603 -4.216 389 HD11 LEU 55 HD11 LEU 55 1.143 -21.365 -6.341 390 HD12 LEU 55 HD12 LEU 55 -0.054 -22.651 -6.425 391 HD13 LEU 55 HD13 LEU 55 1.657 -23.055 -6.261 392 HD21 LEU 55 HD21 LEU 55 0.132 -23.612 -2.821 393 HD22 LEU 55 HD22 LEU 55 1.037 -24.437 -4.092 394 HD23 LEU 55 HD23 LEU 55 -0.648 -23.976 -4.359 395 HA PRO 56 HA PRO 56 -0.081 -17.064 -3.141 396 HB2 PRO 56 HB2 PRO 56 -1.687 -17.045 -5.618 397 HB3 PRO 56 HB3 PRO 56 -0.649 -15.776 -4.965 398 HG2 PRO 56 HG2 PRO 56 -0.032 -17.176 -7.228 399 HG3 PRO 56 HG3 PRO 56 1.203 -16.496 -6.148 400 HD2 PRO 56 HD2 PRO 56 0.193 -19.341 -6.318 401 HD3 PRO 56 HD3 PRO 56 1.862 -18.746 -6.153 402 H LEU 57 H LEU 57 -0.962 -18.517 -1.636 403 HA LEU 57 HA LEU 57 -2.956 -20.487 -2.200 404 HB2 LEU 57 HB2 LEU 57 -2.240 -19.155 0.449 405 HB3 LEU 57 HB3 LEU 57 -3.161 -20.644 0.267 406 HG LEU 57 HG LEU 57 -0.256 -20.334 -0.610 407 HD11 LEU 57 HD11 LEU 57 0.385 -21.575 1.388 408 HD12 LEU 57 HD12 LEU 57 -1.285 -21.586 1.946 409 HD13 LEU 57 HD13 LEU 57 -0.409 -20.062 1.818 410 HD21 LEU 57 HD21 LEU 57 -1.962 -22.825 -0.278 411 HD22 LEU 57 HD22 LEU 57 -0.250 -22.792 -0.720 412 HD23 LEU 57 HD23 LEU 57 -1.453 -22.106 -1.808 413 H ARG 58 H ARG 58 -4.719 -19.659 -3.229 414 HA ARG 58 HA ARG 58 -6.150 -17.307 -2.145 415 HB2 ARG 58 HB2 ARG 58 -6.196 -18.664 -4.877 416 HB3 ARG 58 HB3 ARG 58 -7.286 -17.353 -4.429 417 HG2 ARG 58 HG2 ARG 58 -5.454 -15.795 -4.206 418 HG3 ARG 58 HG3 ARG 58 -4.261 -17.085 -4.368 419 HD2 ARG 58 HD2 ARG 58 -6.214 -16.328 -6.567 420 HD3 ARG 58 HD3 ARG 58 -4.587 -15.652 -6.425 421 HE ARG 58 HE ARG 58 -4.160 -18.337 -6.374 422 HH11 ARG 58 HH11 ARG 58 -5.933 -16.325 -8.648 423 HH12 ARG 58 HH12 ARG 58 -5.482 -17.278 -10.018 424 HH21 ARG 58 HH21 ARG 58 -3.571 -19.564 -8.190 425 HH22 ARG 58 HH22 ARG 58 -4.136 -19.108 -9.763 426 H SER 59 H SER 59 -6.237 -20.000 -1.006 427 HA SER 59 HA SER 59 -9.027 -19.901 -0.333 428 HB2 SER 59 HB2 SER 59 -9.115 -21.540 -2.206 429 HB3 SER 59 HB3 SER 59 -7.870 -22.511 -1.425 430 HG SER 59 HG SER 59 -10.531 -22.467 -0.995 431 H GLY 60 H GLY 60 -9.351 -20.709 1.793 432 HA2 GLY 60 HA2 GLY 60 -7.012 -20.890 3.482 433 HA3 GLY 60 HA3 GLY 60 -8.691 -21.089 3.988 434 H LYS 61 H LYS 61 -9.199 -23.126 1.945 435 HA LYS 61 HA LYS 61 -8.484 -25.603 2.985 436 HB2 LYS 61 HB2 LYS 61 -10.225 -25.289 1.275 437 HB3 LYS 61 HB3 LYS 61 -9.025 -24.746 0.112 438 HG2 LYS 61 HG2 LYS 61 -8.017 -27.060 0.194 439 HG3 LYS 61 HG3 LYS 61 -9.383 -27.557 1.199 440 HD2 LYS 61 HD2 LYS 61 -9.577 -26.428 -1.627 441 HD3 LYS 61 HD3 LYS 61 -9.719 -28.135 -1.201 442 HE2 LYS 61 HE2 LYS 61 -11.773 -27.686 0.054 443 HE3 LYS 61 HE3 LYS 61 -11.587 -25.950 -0.209 444 HZ1 LYS 61 HZ1 LYS 61 -11.970 -27.941 -2.374 445 HZ2 LYS 61 HZ2 LYS 61 -11.929 -26.257 -2.542 446 HZ3 LYS 61 HZ3 LYS 61 -13.199 -26.993 -1.709 447 H GLU 62 H GLU 62 -6.863 -23.600 0.542 448 HA GLU 62 HA GLU 62 -4.638 -25.342 0.065 449 HB2 GLU 62 HB2 GLU 62 -4.998 -22.374 -0.543 450 HB3 GLU 62 HB3 GLU 62 -3.667 -23.369 -1.129 451 HG2 GLU 62 HG2 GLU 62 -5.269 -24.760 -2.384 452 HG3 GLU 62 HG3 GLU 62 -6.593 -23.739 -1.813 453 H ALA 63 H ALA 63 -5.242 -22.549 2.146 454 HA ALA 63 HA ALA 63 -2.543 -22.118 2.992 455 HB1 ALA 63 HB1 ALA 63 -4.246 -20.343 3.062 456 HB2 ALA 63 HB2 ALA 63 -3.526 -20.596 4.654 457 HB3 ALA 63 HB3 ALA 63 -5.136 -21.230 4.302 458 H LYS 64 H LYS 64 -4.859 -24.458 3.854 459 HA LYS 64 HA LYS 64 -4.137 -24.853 6.599 460 HB2 LYS 64 HB2 LYS 64 -6.395 -25.350 5.504 461 HB3 LYS 64 HB3 LYS 64 -5.646 -26.785 4.815 462 HG2 LYS 64 HG2 LYS 64 -5.229 -27.671 7.053 463 HG3 LYS 64 HG3 LYS 64 -5.849 -26.186 7.780 464 HD2 LYS 64 HD2 LYS 64 -7.569 -27.865 7.902 465 HD3 LYS 64 HD3 LYS 64 -8.078 -26.650 6.737 466 HE2 LYS 64 HE2 LYS 64 -7.385 -28.138 4.888 467 HE3 LYS 64 HE3 LYS 64 -6.846 -29.349 6.055 468 HZ1 LYS 64 HZ1 LYS 64 -9.094 -29.599 6.817 469 HZ2 LYS 64 HZ2 LYS 64 -9.047 -29.809 5.142 470 HZ3 LYS 64 HZ3 LYS 64 -9.633 -28.368 5.792 471 H ILE 65 H ILE 65 -2.713 -25.877 3.627 472 HA ILE 65 HA ILE 65 -1.502 -28.310 4.512 473 HB ILE 65 HB ILE 65 -0.005 -28.163 2.599 474 HG12 ILE 65 HG12 ILE 65 -0.960 -25.280 2.292 475 HG13 ILE 65 HG13 ILE 65 0.674 -25.809 2.661 476 HG21 ILE 65 HG21 ILE 65 -2.792 -27.215 1.847 477 HG22 ILE 65 HG22 ILE 65 -2.317 -28.883 2.186 478 HG23 ILE 65 HG23 ILE 65 -1.655 -28.048 0.780 479 HD11 ILE 65 HD11 ILE 65 0.816 -26.814 0.397 480 HD12 ILE 65 HD12 ILE 65 0.534 -25.073 0.375 481 HD13 ILE 65 HD13 ILE 65 -0.796 -26.182 0.051 482 H LEU 66 H LEU 66 -0.735 -24.943 4.994 483 HA LEU 66 HA LEU 66 1.873 -25.445 6.213 484 HB2 LEU 66 HB2 LEU 66 0.188 -22.916 5.988 485 HB3 LEU 66 HB3 LEU 66 1.812 -22.978 6.667 486 HG LEU 66 HG LEU 66 1.141 -23.687 3.786 487 HD11 LEU 66 HD11 LEU 66 0.704 -21.292 4.217 488 HD12 LEU 66 HD12 LEU 66 2.093 -21.519 3.151 489 HD13 LEU 66 HD13 LEU 66 2.345 -21.105 4.851 490 HD21 LEU 66 HD21 LEU 66 3.157 -24.801 4.602 491 HD22 LEU 66 HD22 LEU 66 3.818 -23.253 5.145 492 HD23 LEU 66 HD23 LEU 66 3.571 -23.556 3.422 493 H GLN 67 H GLN 67 1.927 -26.208 8.217 494 HA GLN 67 HA GLN 67 -0.363 -26.301 9.947 495 HB2 GLN 67 HB2 GLN 67 1.101 -27.524 11.517 496 HB3 GLN 67 HB3 GLN 67 1.196 -28.171 9.884 497 HG2 GLN 67 HG2 GLN 67 3.344 -26.997 9.547 498 HG3 GLN 67 HG3 GLN 67 3.256 -26.364 11.191 499 HE21 GLN 67 HE21 GLN 67 5.282 -28.097 9.919 500 HE22 GLN 67 HE22 GLN 67 5.380 -29.512 10.909 501 H HIS 68 H HIS 68 1.947 -23.891 9.478 502 HA HIS 68 HA HIS 68 2.216 -22.764 12.068 503 HB2 HIS 68 HB2 HIS 68 2.309 -21.423 9.334 504 HB3 HIS 68 HB3 HIS 68 2.748 -20.614 10.838 505 HD1 HIS 68 HD1 HIS 68 4.266 -22.300 8.105 506 HD2 HIS 68 HD2 HIS 68 4.967 -22.159 12.198 507 HE1 HIS 68 HE1 HIS 68 6.640 -23.047 8.397 508 HE2 HIS 68 HE2 HIS 68 6.958 -23.179 10.893 509 H PHE 69 H PHE 69 -0.322 -22.608 9.677 510 HA PHE 69 HA PHE 69 -1.894 -20.543 10.852 511 HB2 PHE 69 HB2 PHE 69 -2.535 -22.728 8.816 512 HB3 PHE 69 HB3 PHE 69 -3.689 -21.498 9.299 513 HD1 PHE 69 HD1 PHE 69 -0.113 -21.586 8.085 514 HD2 PHE 69 HD2 PHE 69 -3.969 -19.767 7.766 515 HE1 PHE 69 HE1 PHE 69 0.715 -20.119 6.294 516 HE2 PHE 69 HE2 PHE 69 -3.128 -18.314 5.975 517 HZ PHE 69 HZ PHE 69 -0.790 -18.485 5.234 518 H GLY 70 H GLY 70 -2.904 -23.944 10.405 519 HA2 GLY 70 HA2 GLY 70 -3.438 -25.379 12.327 520 HA3 GLY 70 HA3 GLY 70 -4.085 -23.956 13.136 521 H ASP 71 H ASP 71 -5.647 -26.134 12.954 522 HA ASP 71 HA ASP 71 -7.286 -26.442 10.679 523 HB2 ASP 71 HB2 ASP 71 -7.209 -28.188 12.341 524 HB3 ASP 71 HB3 ASP 71 -7.725 -27.099 13.618 525 H ARG 72 H ARG 72 -7.901 -24.671 13.709 526 HA ARG 72 HA ARG 72 -10.443 -23.609 12.924 527 HB2 ARG 72 HB2 ARG 72 -8.543 -22.836 15.172 528 HB3 ARG 72 HB3 ARG 72 -10.172 -22.183 14.990 529 HG2 ARG 72 HG2 ARG 72 -11.131 -24.419 15.309 530 HG3 ARG 72 HG3 ARG 72 -9.511 -25.120 15.419 531 HD2 ARG 72 HD2 ARG 72 -9.067 -23.835 17.456 532 HD3 ARG 72 HD3 ARG 72 -10.635 -23.034 17.323 533 HE ARG 72 HE ARG 72 -11.000 -25.840 17.428 534 HH11 ARG 72 HH11 ARG 72 -10.128 -23.151 19.534 535 HH12 ARG 72 HH12 ARG 72 -10.678 -23.942 20.976 536 HH21 ARG 72 HH21 ARG 72 -11.759 -26.850 19.314 537 HH22 ARG 72 HH22 ARG 72 -11.613 -26.059 20.850 538 H LEU 73 H LEU 73 -7.139 -22.432 12.775 539 HA LEU 73 HA LEU 73 -7.575 -19.686 12.258 540 HB2 LEU 73 HB2 LEU 73 -5.404 -21.013 12.865 541 HB3 LEU 73 HB3 LEU 73 -5.262 -21.324 11.155 542 HG LEU 73 HG LEU 73 -3.764 -19.534 11.892 543 HD11 LEU 73 HD11 LEU 73 -5.911 -18.486 10.045 544 HD12 LEU 73 HD12 LEU 73 -4.451 -19.378 9.605 545 HD13 LEU 73 HD13 LEU 73 -4.313 -17.759 10.283 546 HD21 LEU 73 HD21 LEU 73 -5.052 -18.706 13.775 547 HD22 LEU 73 HD22 LEU 73 -6.223 -17.968 12.675 548 HD23 LEU 73 HD23 LEU 73 -4.550 -17.399 12.707 549 H CYS 74 H CYS 74 -6.947 -22.421 10.057 550 HA CYS 74 HA CYS 74 -7.297 -20.977 7.629 551 HB2 CYS 74 HB2 CYS 74 -7.381 -23.970 8.155 552 HB3 CYS 74 HB3 CYS 74 -7.259 -23.214 6.561 553 HG CYS 74 HG CYS 74 -4.877 -23.992 8.649 554 H ARG 75 H ARG 75 -9.535 -22.663 9.748 555 HA ARG 75 HA ARG 75 -11.762 -22.874 8.002 556 HB2 ARG 75 HB2 ARG 75 -11.704 -24.066 10.157 557 HB3 ARG 75 HB3 ARG 75 -11.696 -22.542 11.033 558 HG2 ARG 75 HG2 ARG 75 -13.914 -23.542 11.120 559 HG3 ARG 75 HG3 ARG 75 -13.973 -22.041 10.194 560 HD2 ARG 75 HD2 ARG 75 -15.331 -23.770 9.113 561 HD3 ARG 75 HD3 ARG 75 -13.950 -23.353 8.091 562 HE ARG 75 HE ARG 75 -13.320 -25.568 9.750 563 HH11 ARG 75 HH11 ARG 75 -15.125 -24.771 6.843 564 HH12 ARG 75 HH12 ARG 75 -15.095 -26.396 6.239 565 HH21 ARG 75 HH21 ARG 75 -13.273 -27.686 8.944 566 HH22 ARG 75 HH22 ARG 75 -14.029 -28.053 7.422 567 H MET 76 H MET 76 -10.842 -20.359 10.372 568 HA MET 76 HA MET 76 -12.995 -18.588 9.921 569 HB2 MET 76 HB2 MET 76 -10.178 -18.031 10.950 570 HB3 MET 76 HB3 MET 76 -11.489 -16.858 10.997 571 HG2 MET 76 HG2 MET 76 -12.761 -18.341 12.498 572 HG3 MET 76 HG3 MET 76 -11.457 -19.525 12.433 573 HE1 MET 76 HE1 MET 76 -11.077 -15.366 14.442 574 HE2 MET 76 HE2 MET 76 -12.561 -15.963 13.702 575 HE3 MET 76 HE3 MET 76 -11.178 -15.547 12.690 576 H LEU 77 H LEU 77 -9.650 -18.536 8.649 577 HA LEU 77 HA LEU 77 -9.839 -16.380 6.893 578 HB2 LEU 77 HB2 LEU 77 -8.089 -18.794 7.117 579 HB3 LEU 77 HB3 LEU 77 -8.044 -17.958 5.580 580 HG LEU 77 HG LEU 77 -7.368 -15.864 6.712 581 HD11 LEU 77 HD11 LEU 77 -6.656 -15.875 9.068 582 HD12 LEU 77 HD12 LEU 77 -7.337 -17.492 9.263 583 HD13 LEU 77 HD13 LEU 77 -8.390 -16.126 8.884 584 HD21 LEU 77 HD21 LEU 77 -5.585 -18.238 7.336 585 HD22 LEU 77 HD22 LEU 77 -5.075 -16.551 7.268 586 HD23 LEU 77 HD23 LEU 77 -5.658 -17.347 5.811 587 H ASP 78 H ASP 78 -10.520 -19.821 6.166 588 HA ASP 78 HA ASP 78 -10.946 -19.460 3.372 589 HB2 ASP 78 HB2 ASP 78 -10.386 -21.666 4.405 590 HB3 ASP 78 HB3 ASP 78 -11.980 -21.713 5.151 591 H GLU 79 H GLU 79 -13.146 -19.639 6.154 592 HA GLU 79 HA GLU 79 -15.588 -19.305 4.821 593 HB2 GLU 79 HB2 GLU 79 -14.670 -18.676 7.622 594 HB3 GLU 79 HB3 GLU 79 -16.248 -18.103 7.092 595 HG2 GLU 79 HG2 GLU 79 -15.321 -20.984 7.141 596 HG3 GLU 79 HG3 GLU 79 -16.431 -20.224 8.270 597 H LYS 80 H LYS 80 -13.315 -16.855 6.095 598 HA LYS 80 HA LYS 80 -14.785 -14.544 5.542 599 HB2 LYS 80 HB2 LYS 80 -11.798 -15.047 5.711 600 HB3 LYS 80 HB3 LYS 80 -12.431 -13.438 5.382 601 HG2 LYS 80 HG2 LYS 80 -13.081 -15.089 7.843 602 HG3 LYS 80 HG3 LYS 80 -11.871 -13.814 7.770 603 HD2 LYS 80 HD2 LYS 80 -14.870 -13.481 7.382 604 HD3 LYS 80 HD3 LYS 80 -13.933 -12.977 8.789 605 HE2 LYS 80 HE2 LYS 80 -12.670 -11.383 7.332 606 HE3 LYS 80 HE3 LYS 80 -13.703 -11.848 5.974 607 HZ1 LYS 80 HZ1 LYS 80 -14.459 -9.818 7.021 608 HZ2 LYS 80 HZ2 LYS 80 -14.622 -10.608 8.507 609 HZ3 LYS 80 HZ3 LYS 80 -15.614 -11.040 7.211 610 H LEU 81 H LEU 81 -12.381 -16.216 3.474 611 HA LEU 81 HA LEU 81 -12.537 -14.483 1.260 612 HB2 LEU 81 HB2 LEU 81 -10.778 -16.205 1.514 613 HB3 LEU 81 HB3 LEU 81 -11.973 -17.467 1.275 614 HG LEU 81 HG LEU 81 -12.396 -16.274 -1.039 615 HD11 LEU 81 HD11 LEU 81 -11.109 -14.262 -0.631 616 HD12 LEU 81 HD12 LEU 81 -10.480 -15.143 -2.019 617 HD13 LEU 81 HD13 LEU 81 -9.629 -15.215 -0.473 618 HD21 LEU 81 HD21 LEU 81 -10.723 -17.640 -2.152 619 HD22 LEU 81 HD22 LEU 81 -11.512 -18.529 -0.854 620 HD23 LEU 81 HD23 LEU 81 -9.885 -17.890 -0.620 621 H LYS 82 H LYS 82 -14.261 -17.475 2.023 622 HA LYS 82 HA LYS 82 -15.917 -17.648 -0.241 623 HB2 LYS 82 HB2 LYS 82 -15.656 -19.655 0.912 624 HB3 LYS 82 HB3 LYS 82 -15.815 -18.919 2.492 625 HG2 LYS 82 HG2 LYS 82 -18.263 -19.059 0.751 626 HG3 LYS 82 HG3 LYS 82 -17.669 -20.552 1.482 627 HD2 LYS 82 HD2 LYS 82 -17.799 -19.488 3.735 628 HD3 LYS 82 HD3 LYS 82 -18.427 -18.011 2.996 629 HE2 LYS 82 HE2 LYS 82 -20.415 -19.258 2.216 630 HE3 LYS 82 HE3 LYS 82 -19.781 -20.734 2.955 631 HZ1 LYS 82 HZ1 LYS 82 -20.507 -18.236 4.383 632 HZ2 LYS 82 HZ2 LYS 82 -19.860 -19.619 5.114 633 HZ3 LYS 82 HZ3 LYS 82 -21.387 -19.678 4.391 634 H GLN 83 H GLN 83 -16.263 -15.753 2.721 635 HA GLN 83 HA GLN 83 -19.028 -15.026 2.322 636 HB2 GLN 83 HB2 GLN 83 -16.833 -13.798 4.054 637 HB3 GLN 83 HB3 GLN 83 -18.512 -13.252 4.061 638 HG2 GLN 83 HG2 GLN 83 -19.250 -15.414 4.878 639 HG3 GLN 83 HG3 GLN 83 -17.623 -16.054 4.774 640 HE21 GLN 83 HE21 GLN 83 -19.404 -15.829 7.105 641 HE22 GLN 83 HE22 GLN 83 -18.513 -14.934 8.287 642 H HIS 84 H HIS 84 -15.859 -13.655 1.569 643 HA HIS 84 HA HIS 84 -16.706 -11.223 0.379 644 HB2 HIS 84 HB2 HIS 84 -14.369 -11.610 1.125 645 HB3 HIS 84 HB3 HIS 84 -14.173 -12.858 -0.099 646 HD1 HIS 84 HD1 HIS 84 -14.558 -9.117 0.254 647 HD2 HIS 84 HD2 HIS 84 -13.483 -11.914 -2.629 648 HE1 HIS 84 HE1 HIS 84 -13.650 -7.786 -1.669 649 HE2 HIS 84 HE2 HIS 84 -13.154 -9.489 -3.457 650 H LEU 85 H LEU 85 -16.410 -14.511 -0.817 651 HA LEU 85 HA LEU 85 -16.841 -13.845 -3.616 652 HB2 LEU 85 HB2 LEU 85 -16.710 -16.516 -2.156 653 HB3 LEU 85 HB3 LEU 85 -16.844 -16.346 -3.903 654 HG LEU 85 HG LEU 85 -14.497 -15.329 -2.250 655 HD11 LEU 85 HD11 LEU 85 -13.207 -17.202 -3.165 656 HD12 LEU 85 HD12 LEU 85 -14.662 -17.845 -3.932 657 HD13 LEU 85 HD13 LEU 85 -14.554 -17.756 -2.172 658 HD21 LEU 85 HD21 LEU 85 -13.359 -15.038 -4.420 659 HD22 LEU 85 HD22 LEU 85 -14.800 -14.034 -4.293 660 HD23 LEU 85 HD23 LEU 85 -14.839 -15.510 -5.263 661 H ALA 86 H ALA 86 -18.775 -14.892 -0.857 662 HA ALA 86 HA ALA 86 -21.133 -15.600 -2.399 663 HB1 ALA 86 HB1 ALA 86 -22.239 -15.841 -0.207 664 HB2 ALA 86 HB2 ALA 86 -20.836 -15.122 0.594 665 HB3 ALA 86 HB3 ALA 86 -20.684 -16.677 -0.227 666 H SER 87 H SER 87 -19.926 -12.780 -0.682 667 HA SER 87 HA SER 87 -22.372 -11.233 -0.983 668 HB2 SER 87 HB2 SER 87 -20.964 -10.951 1.035 669 HB3 SER 87 HB3 SER 87 -19.608 -10.419 0.039 670 HG SER 87 HG SER 87 -20.424 -8.504 0.186 671 H GLY 88 H GLY 88 -19.106 -11.365 -2.378 672 HA2 GLY 88 HA2 GLY 88 -19.517 -9.090 -4.142 673 HA3 GLY 88 HA3 GLY 88 -18.088 -10.104 -4.033 674 H GLY 89 H GLY 89 -18.588 -12.480 -4.745 675 HA2 GLY 89 HA2 GLY 89 -20.108 -13.716 -6.364 676 HA3 GLY 89 HA3 GLY 89 -19.813 -12.354 -7.444 677 H ASP 90 H ASP 90 -18.868 -13.768 -8.994 678 HA ASP 90 HA ASP 90 -16.001 -14.060 -8.652 679 HB2 ASP 90 HB2 ASP 90 -16.868 -16.294 -7.865 680 HB3 ASP 90 HB3 ASP 90 -17.678 -16.501 -9.413 Start of MODEL 7 1 H ARG 11 H ARG 11 8.760 -4.855 5.994 2 HA ARG 11 HA ARG 11 8.306 -6.023 3.971 3 HB2 ARG 11 HB2 ARG 11 5.804 -6.291 4.531 4 HB3 ARG 11 HB3 ARG 11 5.580 -4.637 3.966 5 HG2 ARG 11 HG2 ARG 11 6.626 -5.450 1.743 6 HG3 ARG 11 HG3 ARG 11 6.391 -7.085 2.363 7 HD2 ARG 11 HD2 ARG 11 4.496 -6.639 1.001 8 HD3 ARG 11 HD3 ARG 11 3.910 -6.449 2.658 9 HE ARG 11 HE ARG 11 4.826 -4.011 1.349 10 HH11 ARG 11 HH11 ARG 11 2.012 -5.970 2.169 11 HH12 ARG 11 HH12 ARG 11 0.896 -4.689 1.819 12 HH21 ARG 11 HH21 ARG 11 3.337 -2.391 0.869 13 HH22 ARG 11 HH22 ARG 11 1.637 -2.683 1.057 14 HA PRO 12 HA PRO 12 9.440 -1.906 2.193 15 HB2 PRO 12 HB2 PRO 12 10.773 -2.907 0.016 16 HB3 PRO 12 HB3 PRO 12 11.538 -2.722 1.600 17 HG2 PRO 12 HG2 PRO 12 10.350 -5.198 0.346 18 HG3 PRO 12 HG3 PRO 12 11.873 -5.021 1.241 19 HD2 PRO 12 HD2 PRO 12 9.628 -6.024 2.413 20 HD3 PRO 12 HD3 PRO 12 10.812 -5.058 3.322 21 H LEU 13 H LEU 13 8.851 -0.988 0.035 22 HA LEU 13 HA LEU 13 7.303 -0.404 -1.507 23 HB2 LEU 13 HB2 LEU 13 6.832 -3.404 -1.706 24 HB3 LEU 13 HB3 LEU 13 5.888 -2.252 -2.628 25 HG LEU 13 HG LEU 13 7.915 -1.507 -3.828 26 HD11 LEU 13 HD11 LEU 13 10.040 -2.712 -3.664 27 HD12 LEU 13 HD12 LEU 13 9.414 -3.663 -2.314 28 HD13 LEU 13 HD13 LEU 13 9.638 -1.922 -2.140 29 HD21 LEU 13 HD21 LEU 13 7.496 -4.510 -3.933 30 HD22 LEU 13 HD22 LEU 13 8.236 -3.518 -5.191 31 HD23 LEU 13 HD23 LEU 13 6.537 -3.294 -4.786 32 HA PRO 14 HA PRO 14 3.835 -0.281 1.556 33 HB2 PRO 14 HB2 PRO 14 3.230 2.341 1.340 34 HB3 PRO 14 HB3 PRO 14 4.702 1.809 2.169 35 HG2 PRO 14 HG2 PRO 14 4.376 2.885 -0.631 36 HG3 PRO 14 HG3 PRO 14 5.616 3.283 0.577 37 HD2 PRO 14 HD2 PRO 14 5.980 1.467 -1.497 38 HD3 PRO 14 HD3 PRO 14 6.911 1.442 0.020 39 H VAL 15 H VAL 15 3.632 -1.149 -1.281 40 HA VAL 15 HA VAL 15 1.471 0.086 -2.647 41 HB VAL 15 HB VAL 15 1.543 -1.942 -4.115 42 HG11 VAL 15 HG11 VAL 15 3.848 -1.625 -4.965 43 HG12 VAL 15 HG12 VAL 15 4.304 -0.810 -3.467 44 HG13 VAL 15 HG13 VAL 15 3.113 -0.075 -4.545 45 HG21 VAL 15 HG21 VAL 15 2.021 -3.666 -2.398 46 HG22 VAL 15 HG22 VAL 15 3.633 -2.991 -2.147 47 HG23 VAL 15 HG23 VAL 15 3.219 -3.732 -3.694 48 H CYS 16 H CYS 16 -0.457 -1.334 -3.358 49 HA CYS 16 HA CYS 16 -2.193 -1.587 -1.164 50 HB2 CYS 16 HB2 CYS 16 -3.814 -2.424 -2.899 51 HB3 CYS 16 HB3 CYS 16 -3.015 -0.917 -3.338 52 HG CYS 16 HG CYS 16 -1.919 -1.742 -5.535 53 HA PRO 17 HA PRO 17 -1.493 -6.013 -0.263 54 HB2 PRO 17 HB2 PRO 17 -2.921 -6.211 1.983 55 HB3 PRO 17 HB3 PRO 17 -1.511 -5.143 1.937 56 HG2 PRO 17 HG2 PRO 17 -4.438 -4.433 1.710 57 HG3 PRO 17 HG3 PRO 17 -3.163 -3.624 2.646 58 HD2 PRO 17 HD2 PRO 17 -4.026 -2.824 0.104 59 HD3 PRO 17 HD3 PRO 17 -2.469 -2.381 0.833 60 H ASN 18 H ASN 18 -2.959 -5.875 -2.456 61 HA ASN 18 HA ASN 18 -5.702 -6.451 -2.373 62 HB2 ASN 18 HB2 ASN 18 -4.392 -5.606 -4.365 63 HB3 ASN 18 HB3 ASN 18 -3.787 -7.241 -4.602 64 HD21 ASN 18 HD21 ASN 18 -5.476 -5.463 -6.290 65 HD22 ASN 18 HD22 ASN 18 -6.879 -6.385 -6.683 66 HA PRO 19 HA PRO 19 -4.432 -11.316 -2.522 67 HB2 PRO 19 HB2 PRO 19 -2.167 -11.794 -0.915 68 HB3 PRO 19 HB3 PRO 19 -2.184 -11.823 -2.681 69 HG2 PRO 19 HG2 PRO 19 -1.375 -9.593 -0.825 70 HG3 PRO 19 HG3 PRO 19 -0.598 -10.145 -2.326 71 HD2 PRO 19 HD2 PRO 19 -2.125 -7.947 -2.355 72 HD3 PRO 19 HD3 PRO 19 -2.206 -9.097 -3.711 73 H LEU 20 H LEU 20 -6.027 -11.857 -1.214 74 HA LEU 20 HA LEU 20 -6.868 -10.292 0.959 75 HB2 LEU 20 HB2 LEU 20 -7.829 -12.986 -0.049 76 HB3 LEU 20 HB3 LEU 20 -8.697 -12.021 1.142 77 HG LEU 20 HG LEU 20 -8.063 -11.044 -1.680 78 HD11 LEU 20 HD11 LEU 20 -9.579 -12.951 -1.821 79 HD12 LEU 20 HD12 LEU 20 -10.415 -11.455 -2.227 80 HD13 LEU 20 HD13 LEU 20 -10.667 -12.204 -0.647 81 HD21 LEU 20 HD21 LEU 20 -8.352 -9.234 -0.052 82 HD22 LEU 20 HD22 LEU 20 -9.909 -9.905 0.448 83 HD23 LEU 20 HD23 LEU 20 -9.700 -9.275 -1.189 84 H PHE 21 H PHE 21 -5.482 -13.576 0.933 85 HA PHE 21 HA PHE 21 -5.930 -14.117 3.695 86 HB2 PHE 21 HB2 PHE 21 -4.041 -15.386 1.673 87 HB3 PHE 21 HB3 PHE 21 -4.312 -16.029 3.295 88 HD1 PHE 21 HD1 PHE 21 -5.955 -15.326 0.024 89 HD2 PHE 21 HD2 PHE 21 -6.290 -17.256 3.813 90 HE1 PHE 21 HE1 PHE 21 -7.976 -16.499 -0.737 91 HE2 PHE 21 HE2 PHE 21 -8.305 -18.401 3.058 92 HZ PHE 21 HZ PHE 21 -9.147 -18.031 0.784 93 H VAL 22 H VAL 22 -3.283 -12.686 1.927 94 HA VAL 22 HA VAL 22 -1.314 -12.621 3.967 95 HB VAL 22 HB VAL 22 -1.730 -10.864 1.497 96 HG11 VAL 22 HG11 VAL 22 0.662 -10.230 1.716 97 HG12 VAL 22 HG12 VAL 22 0.737 -11.071 3.265 98 HG13 VAL 22 HG13 VAL 22 -0.305 -9.660 3.080 99 HG21 VAL 22 HG21 VAL 22 0.077 -13.283 1.921 100 HG22 VAL 22 HG22 VAL 22 0.000 -12.300 0.454 101 HG23 VAL 22 HG23 VAL 22 -1.402 -13.244 0.958 102 H ARG 23 H ARG 23 -3.572 -10.110 2.740 103 HA ARG 23 HA ARG 23 -2.816 -8.130 4.626 104 HB2 ARG 23 HB2 ARG 23 -4.785 -6.856 3.893 105 HB3 ARG 23 HB3 ARG 23 -3.872 -7.475 2.524 106 HG2 ARG 23 HG2 ARG 23 -5.527 -9.045 1.953 107 HG3 ARG 23 HG3 ARG 23 -6.282 -8.983 3.546 108 HD2 ARG 23 HD2 ARG 23 -6.291 -6.696 1.549 109 HD3 ARG 23 HD3 ARG 23 -7.610 -7.854 1.768 110 HE ARG 23 HE ARG 23 -7.364 -6.987 4.251 111 HH11 ARG 23 HH11 ARG 23 -7.415 -5.059 1.309 112 HH12 ARG 23 HH12 ARG 23 -8.106 -3.680 2.096 113 HH21 ARG 23 HH21 ARG 23 -8.262 -5.196 5.253 114 HH22 ARG 23 HH22 ARG 23 -8.587 -3.757 4.332 115 H TRP 24 H TRP 24 -5.342 -10.630 4.713 116 HA TRP 24 HA TRP 24 -6.760 -9.545 6.936 117 HB2 TRP 24 HB2 TRP 24 -6.785 -12.343 5.727 118 HB3 TRP 24 HB3 TRP 24 -7.790 -11.891 7.101 119 HD1 TRP 24 HD1 TRP 24 -8.275 -8.847 5.595 120 HE1 TRP 24 HE1 TRP 24 -10.140 -8.756 3.844 121 HE3 TRP 24 HE3 TRP 24 -8.756 -13.866 4.591 122 HZ2 TRP 24 HZ2 TRP 24 -11.624 -10.514 2.255 123 HZ3 TRP 24 HZ3 TRP 24 -10.428 -14.563 2.936 124 HH2 TRP 24 HH2 TRP 24 -11.839 -12.925 1.790 125 H LEU 25 H LEU 25 -4.112 -11.937 6.640 126 HA LEU 25 HA LEU 25 -3.914 -12.469 9.439 127 HB2 LEU 25 HB2 LEU 25 -1.988 -12.848 7.138 128 HB3 LEU 25 HB3 LEU 25 -1.527 -13.247 8.789 129 HG LEU 25 HG LEU 25 -3.872 -14.486 7.291 130 HD11 LEU 25 HD11 LEU 25 -1.738 -15.238 6.347 131 HD12 LEU 25 HD12 LEU 25 -2.551 -16.541 7.210 132 HD13 LEU 25 HD13 LEU 25 -1.178 -15.715 7.954 133 HD21 LEU 25 HD21 LEU 25 -4.009 -16.027 9.203 134 HD22 LEU 25 HD22 LEU 25 -4.273 -14.362 9.704 135 HD23 LEU 25 HD23 LEU 25 -2.721 -15.144 10.024 136 H THR 26 H THR 26 -2.611 -9.918 7.404 137 HA THR 26 HA THR 26 -0.689 -8.899 9.272 138 HB THR 26 HB THR 26 -2.032 -7.478 6.923 139 HG1 THR 26 HG1 THR 26 -0.726 -9.484 6.549 140 HG21 THR 26 HG21 THR 26 -0.955 -5.861 8.449 141 HG22 THR 26 HG22 THR 26 -0.041 -5.993 6.944 142 HG23 THR 26 HG23 THR 26 0.541 -6.798 8.402 143 H GLU 27 H GLU 27 -4.009 -7.933 8.385 144 HA GLU 27 HA GLU 27 -4.096 -5.666 10.126 145 HB2 GLU 27 HB2 GLU 27 -6.367 -5.332 9.352 146 HB3 GLU 27 HB3 GLU 27 -5.370 -5.782 7.973 147 HG2 GLU 27 HG2 GLU 27 -6.243 -8.118 8.161 148 HG3 GLU 27 HG3 GLU 27 -7.302 -7.586 9.463 149 H TRP 28 H TRP 28 -5.173 -9.034 10.360 150 HA TRP 28 HA TRP 28 -6.703 -8.661 12.775 151 HB2 TRP 28 HB2 TRP 28 -5.656 -11.178 11.431 152 HB3 TRP 28 HB3 TRP 28 -6.592 -11.202 12.920 153 HD1 TRP 28 HD1 TRP 28 -8.203 -8.612 10.878 154 HE1 TRP 28 HE1 TRP 28 -10.205 -9.591 9.595 155 HE3 TRP 28 HE3 TRP 28 -7.204 -13.574 11.492 156 HZ2 TRP 28 HZ2 TRP 28 -11.234 -12.128 8.949 157 HZ3 TRP 28 HZ3 TRP 28 -8.741 -15.224 10.522 158 HH2 TRP 28 HH2 TRP 28 -10.716 -14.517 9.277 159 H ARG 29 H ARG 29 -3.364 -9.511 11.990 160 HA ARG 29 HA ARG 29 -2.461 -10.129 14.625 161 HB2 ARG 29 HB2 ARG 29 -1.219 -10.604 12.498 162 HB3 ARG 29 HB3 ARG 29 -0.946 -8.877 12.291 163 HG2 ARG 29 HG2 ARG 29 0.364 -8.907 14.447 164 HG3 ARG 29 HG3 ARG 29 0.191 -10.668 14.463 165 HD2 ARG 29 HD2 ARG 29 2.361 -10.003 13.510 166 HD3 ARG 29 HD3 ARG 29 1.364 -10.805 12.295 167 HE ARG 29 HE ARG 29 0.814 -8.558 11.425 168 HH11 ARG 29 HH11 ARG 29 3.756 -8.895 13.314 169 HH12 ARG 29 HH12 ARG 29 4.494 -7.486 12.631 170 HH21 ARG 29 HH21 ARG 29 1.790 -6.691 10.566 171 HH22 ARG 29 HH22 ARG 29 3.383 -6.240 11.082 172 H ASP 30 H ASP 30 -2.818 -7.123 12.801 173 HA ASP 30 HA ASP 30 -1.782 -5.284 14.728 174 HB2 ASP 30 HB2 ASP 30 -1.991 -4.707 12.328 175 HB3 ASP 30 HB3 ASP 30 -3.740 -4.874 12.420 176 H GLU 31 H GLU 31 -5.038 -6.490 14.004 177 HA GLU 31 HA GLU 31 -6.475 -4.992 15.949 178 HB2 GLU 31 HB2 GLU 31 -7.109 -7.484 14.341 179 HB3 GLU 31 HB3 GLU 31 -8.229 -6.903 15.568 180 HG2 GLU 31 HG2 GLU 31 -7.295 -5.277 13.178 181 HG3 GLU 31 HG3 GLU 31 -8.802 -6.194 13.249 182 H ALA 32 H ALA 32 -4.772 -8.059 16.014 183 HA ALA 32 HA ALA 32 -5.836 -8.886 18.573 184 HB1 ALA 32 HB1 ALA 32 -5.269 -10.546 16.874 185 HB2 ALA 32 HB2 ALA 32 -4.304 -10.800 18.330 186 HB3 ALA 32 HB3 ALA 32 -3.580 -10.039 16.908 187 H ALA 33 H ALA 33 -3.105 -7.065 17.411 188 HA ALA 33 HA ALA 33 -1.677 -6.909 19.908 189 HB1 ALA 33 HB1 ALA 33 -0.558 -6.421 17.774 190 HB2 ALA 33 HB2 ALA 33 -0.488 -5.014 18.838 191 HB3 ALA 33 HB3 ALA 33 -1.638 -5.055 17.496 192 H SER 34 H SER 34 -4.207 -5.026 18.296 193 HA SER 34 HA SER 34 -4.086 -2.788 20.122 194 HB2 SER 34 HB2 SER 34 -4.571 -2.539 17.681 195 HB3 SER 34 HB3 SER 34 -6.095 -3.399 17.910 196 HG SER 34 HG SER 34 -6.921 -1.588 18.496 197 H ARG 35 H ARG 35 -6.714 -5.038 19.227 198 HA ARG 35 HA ARG 35 -8.510 -4.459 21.301 199 HB2 ARG 35 HB2 ARG 35 -8.934 -5.785 19.122 200 HB3 ARG 35 HB3 ARG 35 -8.250 -7.179 19.937 201 HG2 ARG 35 HG2 ARG 35 -10.546 -7.514 20.204 202 HG3 ARG 35 HG3 ARG 35 -10.107 -6.758 21.738 203 HD2 ARG 35 HD2 ARG 35 -11.353 -5.337 19.344 204 HD3 ARG 35 HD3 ARG 35 -12.197 -5.803 20.822 205 HE ARG 35 HE ARG 35 -10.477 -4.257 21.943 206 HH11 ARG 35 HH11 ARG 35 -11.882 -3.640 18.791 207 HH12 ARG 35 HH12 ARG 35 -11.672 -1.928 18.902 208 HH21 ARG 35 HH21 ARG 35 -10.175 -2.016 22.060 209 HH22 ARG 35 HH22 ARG 35 -10.694 -1.006 20.751 210 H GLY 36 H GLY 36 -5.761 -6.632 21.122 211 HA2 GLY 36 HA2 GLY 36 -4.488 -7.410 22.933 212 HA3 GLY 36 HA3 GLY 36 -5.852 -7.150 24.015 213 H ARG 37 H ARG 37 -5.929 -8.806 20.921 214 HA ARG 37 HA ARG 37 -7.129 -11.175 22.119 215 HB2 ARG 37 HB2 ARG 37 -7.908 -9.975 19.935 216 HB3 ARG 37 HB3 ARG 37 -6.530 -10.741 19.163 217 HG2 ARG 37 HG2 ARG 37 -8.448 -12.084 18.710 218 HG3 ARG 37 HG3 ARG 37 -7.457 -12.976 19.870 219 HD2 ARG 37 HD2 ARG 37 -9.773 -13.159 20.542 220 HD3 ARG 37 HD3 ARG 37 -8.951 -12.115 21.706 221 HE ARG 37 HE ARG 37 -10.473 -10.936 19.466 222 HH11 ARG 37 HH11 ARG 37 -10.029 -11.244 22.944 223 HH12 ARG 37 HH12 ARG 37 -11.281 -10.101 23.313 224 HH21 ARG 37 HH21 ARG 37 -12.111 -9.474 19.965 225 HH22 ARG 37 HH22 ARG 37 -12.459 -9.103 21.624 226 H HIS 38 H HIS 38 -6.016 -13.057 22.468 227 HA HIS 38 HA HIS 38 -3.145 -13.033 22.419 228 HB2 HIS 38 HB2 HIS 38 -4.931 -15.428 23.017 229 HB3 HIS 38 HB3 HIS 38 -3.281 -15.165 23.575 230 HD1 HIS 38 HD1 HIS 38 -6.602 -15.045 24.754 231 HD2 HIS 38 HD2 HIS 38 -3.259 -12.646 25.327 232 HE1 HIS 38 HE1 HIS 38 -7.057 -13.755 26.860 233 HE2 HIS 38 HE2 HIS 38 -5.116 -12.174 27.068 234 H THR 39 H THR 39 -5.409 -13.876 20.054 235 HA THR 39 HA THR 39 -4.105 -16.070 18.769 236 HB THR 39 HB THR 39 -5.688 -15.545 16.868 237 HG1 THR 39 HG1 THR 39 -7.148 -13.837 17.173 238 HG21 THR 39 HG21 THR 39 -7.018 -15.620 19.614 239 HG22 THR 39 HG22 THR 39 -6.454 -17.032 18.715 240 HG23 THR 39 HG23 THR 39 -7.775 -16.053 18.079 241 H ARG 40 H ARG 40 -3.157 -12.842 18.956 242 HA ARG 40 HA ARG 40 -2.218 -12.134 16.428 243 HB2 ARG 40 HB2 ARG 40 -2.125 -10.626 18.377 244 HB3 ARG 40 HB3 ARG 40 -0.913 -11.645 19.137 245 HG2 ARG 40 HG2 ARG 40 0.707 -11.082 17.390 246 HG3 ARG 40 HG3 ARG 40 -0.511 -10.128 16.538 247 HD2 ARG 40 HD2 ARG 40 1.084 -8.749 17.869 248 HD3 ARG 40 HD3 ARG 40 -0.601 -8.522 18.345 249 HE ARG 40 HE ARG 40 0.279 -10.444 20.052 250 HH11 ARG 40 HH11 ARG 40 1.572 -7.277 19.268 251 HH12 ARG 40 HH12 ARG 40 2.140 -6.985 20.877 252 HH21 ARG 40 HH21 ARG 40 1.019 -10.058 22.134 253 HH22 ARG 40 HH22 ARG 40 1.821 -8.572 22.515 254 H PHE 41 H PHE 41 -0.886 -14.342 18.778 255 HA PHE 41 HA PHE 41 1.705 -14.752 17.774 256 HB2 PHE 41 HB2 PHE 41 -0.150 -16.531 19.412 257 HB3 PHE 41 HB3 PHE 41 1.514 -16.976 19.050 258 HD1 PHE 41 HD1 PHE 41 -0.409 -14.069 20.510 259 HD2 PHE 41 HD2 PHE 41 3.131 -16.466 20.655 260 HE1 PHE 41 HE1 PHE 41 0.353 -12.833 22.494 261 HE2 PHE 41 HE2 PHE 41 3.887 -15.222 22.638 262 HZ PHE 41 HZ PHE 41 2.503 -13.404 23.557 263 H VAL 42 H VAL 42 -1.329 -16.603 17.152 264 HA VAL 42 HA VAL 42 -0.078 -18.387 15.285 265 HB VAL 42 HB VAL 42 -2.087 -19.077 16.608 266 HG11 VAL 42 HG11 VAL 42 -3.689 -17.288 14.750 267 HG12 VAL 42 HG12 VAL 42 -3.471 -17.061 16.486 268 HG13 VAL 42 HG13 VAL 42 -4.365 -18.459 15.891 269 HG21 VAL 42 HG21 VAL 42 -2.388 -19.313 13.596 270 HG22 VAL 42 HG22 VAL 42 -3.178 -20.356 14.783 271 HG23 VAL 42 HG23 VAL 42 -1.420 -20.358 14.634 272 H PHE 43 H PHE 43 -1.953 -15.389 14.982 273 HA PHE 43 HA PHE 43 -2.287 -15.342 12.170 274 HB2 PHE 43 HB2 PHE 43 -2.092 -13.034 14.156 275 HB3 PHE 43 HB3 PHE 43 -2.534 -12.826 12.468 276 HD1 PHE 43 HD1 PHE 43 -4.256 -15.541 12.543 277 HD2 PHE 43 HD2 PHE 43 -4.178 -11.952 14.860 278 HE1 PHE 43 HE1 PHE 43 -6.621 -15.853 13.110 279 HE2 PHE 43 HE2 PHE 43 -6.553 -12.269 15.415 280 HZ PHE 43 HZ PHE 43 -7.774 -14.219 14.541 281 H GLN 44 H GLN 44 0.413 -14.400 14.248 282 HA GLN 44 HA GLN 44 1.895 -12.924 12.289 283 HB2 GLN 44 HB2 GLN 44 2.171 -12.594 14.748 284 HB3 GLN 44 HB3 GLN 44 2.857 -14.209 14.887 285 HG2 GLN 44 HG2 GLN 44 4.740 -13.494 13.404 286 HG3 GLN 44 HG3 GLN 44 4.059 -11.868 13.367 287 HE21 GLN 44 HE21 GLN 44 6.671 -12.667 14.294 288 HE22 GLN 44 HE22 GLN 44 6.785 -12.204 15.955 289 H LYS 45 H LYS 45 2.324 -16.187 13.726 290 HA LYS 45 HA LYS 45 4.584 -16.880 12.144 291 HB2 LYS 45 HB2 LYS 45 4.367 -19.124 13.066 292 HB3 LYS 45 HB3 LYS 45 4.092 -17.931 14.331 293 HG2 LYS 45 HG2 LYS 45 1.619 -18.292 14.062 294 HG3 LYS 45 HG3 LYS 45 1.972 -19.565 12.894 295 HD2 LYS 45 HD2 LYS 45 1.516 -20.600 15.038 296 HD3 LYS 45 HD3 LYS 45 3.234 -20.800 14.684 297 HE2 LYS 45 HE2 LYS 45 3.778 -18.938 16.208 298 HE3 LYS 45 HE3 LYS 45 2.062 -18.672 16.522 299 HZ1 LYS 45 HZ1 LYS 45 1.968 -20.923 17.455 300 HZ2 LYS 45 HZ2 LYS 45 3.022 -19.907 18.295 301 HZ3 LYS 45 HZ3 LYS 45 3.642 -21.078 17.243 302 H ALA 46 H ALA 46 1.135 -17.248 11.635 303 HA ALA 46 HA ALA 46 1.239 -18.992 9.360 304 HB1 ALA 46 HB1 ALA 46 -0.928 -17.049 10.232 305 HB2 ALA 46 HB2 ALA 46 -0.793 -18.736 10.729 306 HB3 ALA 46 HB3 ALA 46 -1.115 -18.345 9.041 307 H LEU 47 H LEU 47 0.957 -15.466 9.800 308 HA LEU 47 HA LEU 47 0.739 -14.628 7.137 309 HB2 LEU 47 HB2 LEU 47 0.314 -13.113 8.995 310 HB3 LEU 47 HB3 LEU 47 1.968 -13.257 9.557 311 HG LEU 47 HG LEU 47 2.769 -12.023 7.548 312 HD11 LEU 47 HD11 LEU 47 -0.158 -11.699 6.822 313 HD12 LEU 47 HD12 LEU 47 1.051 -12.628 5.929 314 HD13 LEU 47 HD13 LEU 47 1.203 -10.879 6.049 315 HD21 LEU 47 HD21 LEU 47 2.296 -10.786 9.614 316 HD22 LEU 47 HD22 LEU 47 0.624 -10.534 9.104 317 HD23 LEU 47 HD23 LEU 47 1.946 -9.800 8.194 318 H ARG 48 H ARG 48 3.616 -14.935 9.163 319 HA ARG 48 HA ARG 48 5.525 -14.086 7.270 320 HB2 ARG 48 HB2 ARG 48 5.865 -15.808 9.758 321 HB3 ARG 48 HB3 ARG 48 7.188 -15.053 8.867 322 HG2 ARG 48 HG2 ARG 48 4.943 -13.564 10.284 323 HG3 ARG 48 HG3 ARG 48 6.580 -13.792 10.907 324 HD2 ARG 48 HD2 ARG 48 5.806 -12.252 8.398 325 HD3 ARG 48 HD3 ARG 48 6.324 -11.555 9.939 326 HE ARG 48 HE ARG 48 8.091 -13.320 8.349 327 HH11 ARG 48 HH11 ARG 48 7.619 -10.236 9.988 328 HH12 ARG 48 HH12 ARG 48 9.267 -9.745 9.765 329 HH21 ARG 48 HH21 ARG 48 10.222 -12.669 8.088 330 HH22 ARG 48 HH22 ARG 48 10.735 -11.115 8.663 331 H SER 49 H SER 49 4.287 -17.295 8.132 332 HA SER 49 HA SER 49 5.988 -18.866 6.500 333 HB2 SER 49 HB2 SER 49 4.483 -19.731 8.353 334 HB3 SER 49 HB3 SER 49 3.110 -19.513 7.272 335 HG SER 49 HG SER 49 4.797 -20.895 5.877 336 H LEU 50 H LEU 50 2.885 -17.238 5.861 337 HA LEU 50 HA LEU 50 2.402 -18.266 3.246 338 HB2 LEU 50 HB2 LEU 50 0.868 -16.953 5.028 339 HB3 LEU 50 HB3 LEU 50 1.359 -15.553 4.101 340 HG LEU 50 HG LEU 50 -0.126 -17.967 2.964 341 HD11 LEU 50 HD11 LEU 50 -1.535 -16.763 4.553 342 HD12 LEU 50 HD12 LEU 50 -2.120 -16.551 2.907 343 HD13 LEU 50 HD13 LEU 50 -1.241 -15.242 3.704 344 HD21 LEU 50 HD21 LEU 50 0.428 -15.287 1.645 345 HD22 LEU 50 HD22 LEU 50 -0.555 -16.593 0.975 346 HD23 LEU 50 HD23 LEU 50 1.172 -16.830 1.220 347 H GLN 51 H GLN 51 4.134 -15.467 4.505 348 HA GLN 51 HA GLN 51 4.530 -14.038 2.092 349 HB2 GLN 51 HB2 GLN 51 6.108 -13.980 4.700 350 HB3 GLN 51 HB3 GLN 51 6.347 -12.840 3.379 351 HG2 GLN 51 HG2 GLN 51 3.837 -13.169 5.043 352 HG3 GLN 51 HG3 GLN 51 4.987 -11.840 5.127 353 HE21 GLN 51 HE21 GLN 51 4.953 -10.249 3.506 354 HE22 GLN 51 HE22 GLN 51 3.642 -10.098 2.391 355 H ARG 52 H ARG 52 6.368 -16.624 3.662 356 HA ARG 52 HA ARG 52 8.458 -16.517 1.563 357 HB2 ARG 52 HB2 ARG 52 9.739 -18.047 3.031 358 HB3 ARG 52 HB3 ARG 52 9.305 -16.547 3.848 359 HG2 ARG 52 HG2 ARG 52 7.478 -17.697 5.021 360 HG3 ARG 52 HG3 ARG 52 7.867 -19.202 4.186 361 HD2 ARG 52 HD2 ARG 52 10.049 -19.283 5.283 362 HD3 ARG 52 HD3 ARG 52 9.747 -17.719 6.053 363 HE ARG 52 HE ARG 52 7.971 -18.748 7.328 364 HH11 ARG 52 HH11 ARG 52 10.045 -21.072 5.694 365 HH12 ARG 52 HH12 ARG 52 9.782 -22.311 6.881 366 HH21 ARG 52 HH21 ARG 52 7.640 -20.362 8.858 367 HH22 ARG 52 HH22 ARG 52 8.424 -21.899 8.685 368 H TYR 53 H TYR 53 5.536 -18.113 2.044 369 HA TYR 53 HA TYR 53 6.305 -20.661 0.839 370 HB2 TYR 53 HB2 TYR 53 4.443 -20.416 2.574 371 HB3 TYR 53 HB3 TYR 53 3.481 -19.604 1.342 372 HD1 TYR 53 HD1 TYR 53 5.321 -22.821 1.983 373 HD2 TYR 53 HD2 TYR 53 2.075 -20.947 -0.063 374 HE1 TYR 53 HE1 TYR 53 4.526 -25.023 1.235 375 HE2 TYR 53 HE2 TYR 53 1.285 -23.150 -0.806 376 HH TYR 53 HH TYR 53 2.171 -25.403 -1.190 377 HA PRO 54 HA PRO 54 6.299 -18.644 -3.173 378 HB2 PRO 54 HB2 PRO 54 6.671 -20.832 -4.795 379 HB3 PRO 54 HB3 PRO 54 7.950 -20.157 -3.777 380 HG2 PRO 54 HG2 PRO 54 6.126 -22.497 -3.222 381 HG3 PRO 54 HG3 PRO 54 7.889 -22.384 -3.017 382 HD2 PRO 54 HD2 PRO 54 6.207 -22.098 -0.920 383 HD3 PRO 54 HD3 PRO 54 7.709 -21.149 -1.032 384 H LEU 55 H LEU 55 3.921 -21.208 -2.515 385 HA LEU 55 HA LEU 55 2.362 -20.580 -4.889 386 HB2 LEU 55 HB2 LEU 55 1.692 -22.395 -2.544 387 HB3 LEU 55 HB3 LEU 55 0.603 -22.095 -3.882 388 HG LEU 55 HG LEU 55 2.457 -23.035 -5.409 389 HD11 LEU 55 HD11 LEU 55 3.530 -24.110 -2.793 390 HD12 LEU 55 HD12 LEU 55 4.323 -22.935 -3.847 391 HD13 LEU 55 HD13 LEU 55 4.060 -24.586 -4.410 392 HD21 LEU 55 HD21 LEU 55 1.071 -24.913 -3.467 393 HD22 LEU 55 HD22 LEU 55 1.734 -25.357 -5.042 394 HD23 LEU 55 HD23 LEU 55 0.376 -24.237 -4.945 395 HA PRO 56 HA PRO 56 -0.079 -17.347 -2.792 396 HB2 PRO 56 HB2 PRO 56 -1.853 -17.444 -5.167 397 HB3 PRO 56 HB3 PRO 56 -0.824 -16.123 -4.608 398 HG2 PRO 56 HG2 PRO 56 -0.280 -17.560 -6.867 399 HG3 PRO 56 HG3 PRO 56 0.985 -16.814 -5.872 400 HD2 PRO 56 HD2 PRO 56 0.091 -19.693 -5.960 401 HD3 PRO 56 HD3 PRO 56 1.731 -19.009 -5.853 402 H LEU 57 H LEU 57 -1.280 -18.190 -1.163 403 HA LEU 57 HA LEU 57 -2.873 -20.601 -1.460 404 HB2 LEU 57 HB2 LEU 57 -2.257 -18.836 0.945 405 HB3 LEU 57 HB3 LEU 57 -3.179 -20.333 1.040 406 HG LEU 57 HG LEU 57 -0.285 -20.163 0.090 407 HD11 LEU 57 HD11 LEU 57 0.337 -21.152 2.248 408 HD12 LEU 57 HD12 LEU 57 -1.336 -21.040 2.800 409 HD13 LEU 57 HD13 LEU 57 -0.417 -19.572 2.457 410 HD21 LEU 57 HD21 LEU 57 -1.471 -22.074 -0.873 411 HD22 LEU 57 HD22 LEU 57 -2.025 -22.574 0.725 412 HD23 LEU 57 HD23 LEU 57 -0.307 -22.626 0.329 413 H ARG 58 H ARG 58 -4.237 -19.229 -3.056 414 HA ARG 58 HA ARG 58 -6.320 -17.589 -1.793 415 HB2 ARG 58 HB2 ARG 58 -5.163 -16.788 -3.877 416 HB3 ARG 58 HB3 ARG 58 -5.835 -18.161 -4.753 417 HG2 ARG 58 HG2 ARG 58 -8.129 -17.300 -4.294 418 HG3 ARG 58 HG3 ARG 58 -7.420 -15.926 -3.440 419 HD2 ARG 58 HD2 ARG 58 -6.226 -15.308 -5.572 420 HD3 ARG 58 HD3 ARG 58 -7.134 -16.585 -6.389 421 HE ARG 58 HE ARG 58 -9.168 -15.242 -5.455 422 HH11 ARG 58 HH11 ARG 58 -6.197 -13.815 -6.719 423 HH12 ARG 58 HH12 ARG 58 -6.987 -12.374 -7.275 424 HH21 ARG 58 HH21 ARG 58 -10.179 -13.346 -6.168 425 HH22 ARG 58 HH22 ARG 58 -9.248 -12.109 -6.951 426 H SER 59 H SER 59 -7.336 -19.284 -0.657 427 HA SER 59 HA SER 59 -9.482 -20.642 -1.924 428 HB2 SER 59 HB2 SER 59 -7.722 -22.189 -2.697 429 HB3 SER 59 HB3 SER 59 -7.125 -22.389 -1.051 430 HG SER 59 HG SER 59 -8.692 -23.999 -2.076 431 H GLY 60 H GLY 60 -7.210 -20.838 0.825 432 HA2 GLY 60 HA2 GLY 60 -7.757 -20.489 3.119 433 HA3 GLY 60 HA3 GLY 60 -9.438 -20.899 2.780 434 H LYS 61 H LYS 61 -9.229 -23.204 1.395 435 HA LYS 61 HA LYS 61 -8.692 -25.290 3.178 436 HB2 LYS 61 HB2 LYS 61 -10.157 -25.544 1.209 437 HB3 LYS 61 HB3 LYS 61 -8.783 -25.316 0.126 438 HG2 LYS 61 HG2 LYS 61 -7.772 -27.423 1.043 439 HG3 LYS 61 HG3 LYS 61 -9.227 -27.650 2.023 440 HD2 LYS 61 HD2 LYS 61 -10.585 -27.770 -0.065 441 HD3 LYS 61 HD3 LYS 61 -9.110 -27.582 -1.019 442 HE2 LYS 61 HE2 LYS 61 -8.240 -29.696 0.017 443 HE3 LYS 61 HE3 LYS 61 -9.797 -29.894 0.824 444 HZ1 LYS 61 HZ1 LYS 61 -9.654 -31.190 -1.199 445 HZ2 LYS 61 HZ2 LYS 61 -9.375 -29.795 -2.112 446 HZ3 LYS 61 HZ3 LYS 61 -10.862 -30.014 -1.331 447 H GLU 62 H GLU 62 -6.713 -23.967 0.536 448 HA GLU 62 HA GLU 62 -4.561 -25.810 0.715 449 HB2 GLU 62 HB2 GLU 62 -4.548 -23.004 -0.463 450 HB3 GLU 62 HB3 GLU 62 -3.364 -24.268 -0.785 451 HG2 GLU 62 HG2 GLU 62 -6.308 -24.368 -1.535 452 HG3 GLU 62 HG3 GLU 62 -4.986 -23.974 -2.632 453 H ALA 63 H ALA 63 -5.351 -23.120 2.695 454 HA ALA 63 HA ALA 63 -2.708 -22.409 3.597 455 HB1 ALA 63 HB1 ALA 63 -3.919 -21.097 5.305 456 HB2 ALA 63 HB2 ALA 63 -5.436 -21.876 4.845 457 HB3 ALA 63 HB3 ALA 63 -4.597 -20.827 3.700 458 H LYS 64 H LYS 64 -4.927 -24.946 4.336 459 HA LYS 64 HA LYS 64 -4.374 -25.310 7.109 460 HB2 LYS 64 HB2 LYS 64 -6.499 -26.001 5.943 461 HB3 LYS 64 HB3 LYS 64 -5.596 -27.288 5.158 462 HG2 LYS 64 HG2 LYS 64 -5.097 -28.219 7.448 463 HG3 LYS 64 HG3 LYS 64 -6.153 -26.976 8.126 464 HD2 LYS 64 HD2 LYS 64 -7.415 -29.024 7.915 465 HD3 LYS 64 HD3 LYS 64 -8.040 -27.877 6.741 466 HE2 LYS 64 HE2 LYS 64 -6.836 -29.003 4.938 467 HE3 LYS 64 HE3 LYS 64 -6.048 -30.084 6.088 468 HZ1 LYS 64 HZ1 LYS 64 -8.960 -29.968 5.584 469 HZ2 LYS 64 HZ2 LYS 64 -8.165 -31.042 6.619 470 HZ3 LYS 64 HZ3 LYS 64 -7.903 -31.123 4.950 471 H ILE 65 H ILE 65 -2.865 -26.549 4.189 472 HA ILE 65 HA ILE 65 -1.650 -28.878 5.267 473 HB ILE 65 HB ILE 65 -0.159 -28.873 3.300 474 HG12 ILE 65 HG12 ILE 65 -1.329 -26.121 2.691 475 HG13 ILE 65 HG13 ILE 65 0.336 -26.459 3.134 476 HG21 ILE 65 HG21 ILE 65 -2.444 -29.755 3.051 477 HG22 ILE 65 HG22 ILE 65 -1.894 -29.021 1.546 478 HG23 ILE 65 HG23 ILE 65 -3.028 -28.154 2.584 479 HD11 ILE 65 HD11 ILE 65 -1.058 -27.231 0.580 480 HD12 ILE 65 HD12 ILE 65 0.572 -27.746 1.016 481 HD13 ILE 65 HD13 ILE 65 0.217 -26.033 0.795 482 H LEU 66 H LEU 66 -0.782 -25.495 5.438 483 HA LEU 66 HA LEU 66 1.842 -26.034 6.614 484 HB2 LEU 66 HB2 LEU 66 0.417 -23.348 6.394 485 HB3 LEU 66 HB3 LEU 66 2.097 -23.624 6.819 486 HG LEU 66 HG LEU 66 2.233 -24.670 4.369 487 HD11 LEU 66 HD11 LEU 66 0.765 -23.605 2.743 488 HD12 LEU 66 HD12 LEU 66 -0.113 -22.780 4.033 489 HD13 LEU 66 HD13 LEU 66 -0.189 -24.537 3.900 490 HD21 LEU 66 HD21 LEU 66 2.112 -21.680 4.837 491 HD22 LEU 66 HD22 LEU 66 2.894 -22.488 3.477 492 HD23 LEU 66 HD23 LEU 66 3.509 -22.725 5.110 493 H GLN 67 H GLN 67 1.961 -26.581 8.706 494 HA GLN 67 HA GLN 67 -0.254 -26.529 10.486 495 HB2 GLN 67 HB2 GLN 67 2.694 -27.083 10.969 496 HB3 GLN 67 HB3 GLN 67 1.463 -27.254 12.221 497 HG2 GLN 67 HG2 GLN 67 0.314 -28.965 10.847 498 HG3 GLN 67 HG3 GLN 67 1.554 -28.801 9.607 499 HE21 GLN 67 HE21 GLN 67 3.575 -29.746 9.953 500 HE22 GLN 67 HE22 GLN 67 3.897 -30.836 11.255 501 H HIS 68 H HIS 68 2.241 -24.175 9.831 502 HA HIS 68 HA HIS 68 2.301 -22.618 12.158 503 HB2 HIS 68 HB2 HIS 68 2.487 -21.752 9.241 504 HB3 HIS 68 HB3 HIS 68 2.770 -20.652 10.587 505 HD1 HIS 68 HD1 HIS 68 4.518 -22.948 8.400 506 HD2 HIS 68 HD2 HIS 68 5.021 -21.544 12.285 507 HE1 HIS 68 HE1 HIS 68 6.905 -23.445 8.993 508 HE2 HIS 68 HE2 HIS 68 7.139 -22.740 11.403 509 H PHE 69 H PHE 69 -0.130 -22.731 9.588 510 HA PHE 69 HA PHE 69 -1.733 -20.561 10.664 511 HB2 PHE 69 HB2 PHE 69 -2.507 -22.670 8.590 512 HB3 PHE 69 HB3 PHE 69 -3.416 -21.235 8.973 513 HD1 PHE 69 HD1 PHE 69 0.202 -21.874 8.073 514 HD2 PHE 69 HD2 PHE 69 -3.376 -19.703 7.201 515 HE1 PHE 69 HE1 PHE 69 1.363 -20.663 6.280 516 HE2 PHE 69 HE2 PHE 69 -2.194 -18.499 5.411 517 HZ PHE 69 HZ PHE 69 0.169 -18.982 4.956 518 H GLY 70 H GLY 70 -2.148 -24.100 10.295 519 HA2 GLY 70 HA2 GLY 70 -3.079 -25.667 11.717 520 HA3 GLY 70 HA3 GLY 70 -3.343 -24.411 12.914 521 H ASP 71 H ASP 71 -5.159 -26.524 12.087 522 HA ASP 71 HA ASP 71 -7.068 -25.936 10.190 523 HB2 ASP 71 HB2 ASP 71 -7.434 -27.379 12.842 524 HB3 ASP 71 HB3 ASP 71 -8.627 -27.402 11.545 525 H ARG 72 H ARG 72 -6.869 -24.631 13.472 526 HA ARG 72 HA ARG 72 -9.437 -23.493 13.785 527 HB2 ARG 72 HB2 ARG 72 -6.773 -22.398 14.804 528 HB3 ARG 72 HB3 ARG 72 -8.360 -21.996 15.454 529 HG2 ARG 72 HG2 ARG 72 -7.149 -24.784 15.524 530 HG3 ARG 72 HG3 ARG 72 -6.989 -23.605 16.829 531 HD2 ARG 72 HD2 ARG 72 -9.470 -23.554 17.042 532 HD3 ARG 72 HD3 ARG 72 -9.581 -24.815 15.807 533 HE ARG 72 HE ARG 72 -7.896 -25.902 17.644 534 HH11 ARG 72 HH11 ARG 72 -11.137 -24.570 17.955 535 HH12 ARG 72 HH12 ARG 72 -11.518 -25.536 19.340 536 HH21 ARG 72 HH21 ARG 72 -8.410 -27.151 19.464 537 HH22 ARG 72 HH22 ARG 72 -9.978 -27.002 20.193 538 H LEU 73 H LEU 73 -6.414 -22.006 12.637 539 HA LEU 73 HA LEU 73 -7.560 -19.457 12.011 540 HB2 LEU 73 HB2 LEU 73 -5.254 -19.740 12.793 541 HB3 LEU 73 HB3 LEU 73 -4.851 -20.694 11.382 542 HG LEU 73 HG LEU 73 -5.716 -17.819 11.030 543 HD11 LEU 73 HD11 LEU 73 -2.908 -18.684 11.746 544 HD12 LEU 73 HD12 LEU 73 -3.992 -17.709 12.743 545 HD13 LEU 73 HD13 LEU 73 -3.388 -17.067 11.221 546 HD21 LEU 73 HD21 LEU 73 -5.480 -19.123 8.987 547 HD22 LEU 73 HD22 LEU 73 -3.824 -19.548 9.429 548 HD23 LEU 73 HD23 LEU 73 -4.240 -17.874 9.069 549 H CYS 74 H CYS 74 -6.710 -22.335 10.185 550 HA CYS 74 HA CYS 74 -6.875 -21.296 7.572 551 HB2 CYS 74 HB2 CYS 74 -7.338 -24.141 8.533 552 HB3 CYS 74 HB3 CYS 74 -6.984 -23.653 6.869 553 HG CYS 74 HG CYS 74 -4.434 -22.760 7.379 554 H ARG 75 H ARG 75 -9.317 -22.747 9.720 555 HA ARG 75 HA ARG 75 -11.513 -22.618 7.903 556 HB2 ARG 75 HB2 ARG 75 -11.446 -22.705 10.948 557 HB3 ARG 75 HB3 ARG 75 -12.944 -22.720 10.017 558 HG2 ARG 75 HG2 ARG 75 -12.282 -24.832 8.942 559 HG3 ARG 75 HG3 ARG 75 -10.749 -24.816 9.819 560 HD2 ARG 75 HD2 ARG 75 -12.040 -24.909 11.966 561 HD3 ARG 75 HD3 ARG 75 -13.528 -25.064 11.023 562 HE ARG 75 HE ARG 75 -11.717 -27.070 10.221 563 HH11 ARG 75 HH11 ARG 75 -13.694 -26.259 13.015 564 HH12 ARG 75 HH12 ARG 75 -13.861 -27.909 13.520 565 HH21 ARG 75 HH21 ARG 75 -11.973 -29.225 10.872 566 HH22 ARG 75 HH22 ARG 75 -12.903 -29.593 12.288 567 H MET 76 H MET 76 -10.185 -20.322 10.304 568 HA MET 76 HA MET 76 -12.202 -18.357 10.186 569 HB2 MET 76 HB2 MET 76 -9.210 -17.943 10.634 570 HB3 MET 76 HB3 MET 76 -10.447 -16.734 10.951 571 HG2 MET 76 HG2 MET 76 -11.430 -18.215 12.677 572 HG3 MET 76 HG3 MET 76 -10.165 -19.397 12.363 573 HE1 MET 76 HE1 MET 76 -9.973 -15.432 12.622 574 HE2 MET 76 HE2 MET 76 -9.461 -15.256 14.301 575 HE3 MET 76 HE3 MET 76 -11.054 -15.916 13.930 576 H LEU 77 H LEU 77 -9.194 -18.591 8.263 577 HA LEU 77 HA LEU 77 -9.708 -16.321 6.613 578 HB2 LEU 77 HB2 LEU 77 -7.704 -18.570 6.566 579 HB3 LEU 77 HB3 LEU 77 -7.867 -17.575 5.133 580 HG LEU 77 HG LEU 77 -7.275 -15.556 6.419 581 HD11 LEU 77 HD11 LEU 77 -8.127 -16.142 8.626 582 HD12 LEU 77 HD12 LEU 77 -6.427 -15.692 8.721 583 HD13 LEU 77 HD13 LEU 77 -6.894 -17.393 8.796 584 HD21 LEU 77 HD21 LEU 77 -5.262 -17.809 6.714 585 HD22 LEU 77 HD22 LEU 77 -4.898 -16.088 6.823 586 HD23 LEU 77 HD23 LEU 77 -5.474 -16.761 5.309 587 H ASP 78 H ASP 78 -10.438 -19.761 6.265 588 HA ASP 78 HA ASP 78 -11.148 -19.767 3.498 589 HB2 ASP 78 HB2 ASP 78 -10.589 -21.829 4.833 590 HB3 ASP 78 HB3 ASP 78 -12.095 -21.642 5.724 591 H GLU 79 H GLU 79 -12.995 -19.394 6.493 592 HA GLU 79 HA GLU 79 -15.596 -19.204 5.357 593 HB2 GLU 79 HB2 GLU 79 -14.450 -18.374 8.048 594 HB3 GLU 79 HB3 GLU 79 -16.148 -18.128 7.644 595 HG2 GLU 79 HG2 GLU 79 -16.470 -20.533 7.356 596 HG3 GLU 79 HG3 GLU 79 -14.751 -20.820 7.644 597 H LYS 80 H LYS 80 -13.194 -16.751 6.315 598 HA LYS 80 HA LYS 80 -14.776 -14.467 5.740 599 HB2 LYS 80 HB2 LYS 80 -11.768 -14.866 5.849 600 HB3 LYS 80 HB3 LYS 80 -12.499 -13.291 5.540 601 HG2 LYS 80 HG2 LYS 80 -13.001 -14.979 8.011 602 HG3 LYS 80 HG3 LYS 80 -11.852 -13.649 7.915 603 HD2 LYS 80 HD2 LYS 80 -14.869 -13.417 7.563 604 HD3 LYS 80 HD3 LYS 80 -13.957 -12.957 9.003 605 HE2 LYS 80 HE2 LYS 80 -12.729 -11.263 7.635 606 HE3 LYS 80 HE3 LYS 80 -13.747 -11.683 6.250 607 HZ1 LYS 80 HZ1 LYS 80 -14.569 -9.737 7.360 608 HZ2 LYS 80 HZ2 LYS 80 -14.665 -10.550 8.836 609 HZ3 LYS 80 HZ3 LYS 80 -15.682 -10.998 7.558 610 H LEU 81 H LEU 81 -12.532 -16.374 3.727 611 HA LEU 81 HA LEU 81 -12.673 -14.803 1.378 612 HB2 LEU 81 HB2 LEU 81 -11.001 -16.644 1.915 613 HB3 LEU 81 HB3 LEU 81 -12.241 -17.816 1.534 614 HG LEU 81 HG LEU 81 -10.434 -17.332 -0.248 615 HD11 LEU 81 HD11 LEU 81 -12.369 -18.644 -0.826 616 HD12 LEU 81 HD12 LEU 81 -11.936 -17.581 -2.161 617 HD13 LEU 81 HD13 LEU 81 -13.312 -17.187 -1.129 618 HD21 LEU 81 HD21 LEU 81 -10.749 -15.432 -1.729 619 HD22 LEU 81 HD22 LEU 81 -10.447 -14.890 -0.079 620 HD23 LEU 81 HD23 LEU 81 -12.087 -14.845 -0.735 621 H LYS 82 H LYS 82 -14.609 -17.470 2.610 622 HA LYS 82 HA LYS 82 -16.391 -17.903 0.476 623 HB2 LYS 82 HB2 LYS 82 -16.082 -19.414 2.446 624 HB3 LYS 82 HB3 LYS 82 -16.855 -18.218 3.475 625 HG2 LYS 82 HG2 LYS 82 -18.970 -18.515 2.171 626 HG3 LYS 82 HG3 LYS 82 -18.171 -19.775 1.225 627 HD2 LYS 82 HD2 LYS 82 -18.762 -19.834 4.216 628 HD3 LYS 82 HD3 LYS 82 -19.532 -20.815 2.966 629 HE2 LYS 82 HE2 LYS 82 -16.626 -20.976 3.859 630 HE3 LYS 82 HE3 LYS 82 -17.892 -22.153 4.192 631 HZ1 LYS 82 HZ1 LYS 82 -18.057 -22.552 1.793 632 HZ2 LYS 82 HZ2 LYS 82 -16.516 -22.902 2.394 633 HZ3 LYS 82 HZ3 LYS 82 -16.776 -21.486 1.524 634 H GLN 83 H GLN 83 -16.496 -15.622 3.225 635 HA GLN 83 HA GLN 83 -19.173 -14.661 2.717 636 HB2 GLN 83 HB2 GLN 83 -16.958 -13.547 4.495 637 HB3 GLN 83 HB3 GLN 83 -18.629 -12.980 4.496 638 HG2 GLN 83 HG2 GLN 83 -19.408 -15.125 5.299 639 HG3 GLN 83 HG3 GLN 83 -17.801 -15.816 5.162 640 HE21 GLN 83 HE21 GLN 83 -19.484 -15.683 7.508 641 HE22 GLN 83 HE22 GLN 83 -18.594 -14.815 8.707 642 H HIS 84 H HIS 84 -15.902 -13.679 1.953 643 HA HIS 84 HA HIS 84 -16.319 -11.114 0.870 644 HB2 HIS 84 HB2 HIS 84 -14.070 -11.883 1.429 645 HB3 HIS 84 HB3 HIS 84 -14.196 -13.234 0.311 646 HD1 HIS 84 HD1 HIS 84 -13.420 -9.586 0.471 647 HD2 HIS 84 HD2 HIS 84 -13.751 -12.555 -2.422 648 HE1 HIS 84 HE1 HIS 84 -12.405 -8.618 -1.611 649 HE2 HIS 84 HE2 HIS 84 -12.780 -10.358 -3.384 650 H LEU 85 H LEU 85 -16.405 -14.365 -0.625 651 HA LEU 85 HA LEU 85 -17.008 -13.331 -3.272 652 HB2 LEU 85 HB2 LEU 85 -16.959 -16.188 -2.225 653 HB3 LEU 85 HB3 LEU 85 -17.218 -15.751 -3.911 654 HG LEU 85 HG LEU 85 -14.670 -15.339 -2.291 655 HD11 LEU 85 HD11 LEU 85 -15.006 -17.638 -3.036 656 HD12 LEU 85 HD12 LEU 85 -13.657 -16.891 -3.887 657 HD13 LEU 85 HD13 LEU 85 -15.210 -17.094 -4.705 658 HD21 LEU 85 HD21 LEU 85 -15.228 -14.460 -5.149 659 HD22 LEU 85 HD22 LEU 85 -13.650 -14.439 -4.355 660 HD23 LEU 85 HD23 LEU 85 -14.945 -13.409 -3.756 661 H ALA 86 H ALA 86 -18.815 -14.648 -0.549 662 HA ALA 86 HA ALA 86 -21.281 -15.178 -1.886 663 HB1 ALA 86 HB1 ALA 86 -20.743 -16.183 0.298 664 HB2 ALA 86 HB2 ALA 86 -22.268 -15.301 0.374 665 HB3 ALA 86 HB3 ALA 86 -20.802 -14.594 1.064 666 H SER 87 H SER 87 -19.962 -12.354 -0.236 667 HA SER 87 HA SER 87 -22.313 -10.693 -0.730 668 HB2 SER 87 HB2 SER 87 -19.571 -9.960 0.400 669 HB3 SER 87 HB3 SER 87 -21.010 -8.935 0.412 670 HG SER 87 HG SER 87 -21.099 -11.504 1.572 671 H GLY 88 H GLY 88 -19.204 -11.385 -2.177 672 HA2 GLY 88 HA2 GLY 88 -18.788 -10.968 -4.508 673 HA3 GLY 88 HA3 GLY 88 -19.714 -9.477 -4.396 674 H GLY 89 H GLY 89 -18.578 -8.569 -1.946 675 HA2 GLY 89 HA2 GLY 89 -15.678 -8.332 -2.363 676 HA3 GLY 89 HA3 GLY 89 -16.646 -6.859 -2.312 677 H ASP 90 H ASP 90 -15.368 -6.269 -0.447 678 HA ASP 90 HA ASP 90 -15.714 -7.809 2.021 679 HB2 ASP 90 HB2 ASP 90 -14.062 -5.294 1.480 680 HB3 ASP 90 HB3 ASP 90 -14.088 -6.191 2.999 Start of MODEL 8 1 H ARG 11 H ARG 11 14.929 -7.367 1.763 2 HA ARG 11 HA ARG 11 14.681 -7.299 -0.621 3 HB2 ARG 11 HB2 ARG 11 12.457 -8.778 0.848 4 HB3 ARG 11 HB3 ARG 11 12.915 -9.094 -0.825 5 HG2 ARG 11 HG2 ARG 11 15.146 -9.817 -0.102 6 HG3 ARG 11 HG3 ARG 11 14.742 -9.451 1.577 7 HD2 ARG 11 HD2 ARG 11 13.048 -11.191 1.599 8 HD3 ARG 11 HD3 ARG 11 13.269 -11.485 -0.130 9 HE ARG 11 HE ARG 11 15.750 -11.915 0.964 10 HH11 ARG 11 HH11 ARG 11 12.578 -13.278 1.646 11 HH12 ARG 11 HH12 ARG 11 13.202 -14.849 2.025 12 HH21 ARG 11 HH21 ARG 11 16.554 -13.975 1.443 13 HH22 ARG 11 HH22 ARG 11 15.467 -15.238 1.921 14 HA PRO 12 HA PRO 12 11.449 -4.174 -1.756 15 HB2 PRO 12 HB2 PRO 12 12.482 -3.685 -4.277 16 HB3 PRO 12 HB3 PRO 12 13.036 -2.858 -2.814 17 HG2 PRO 12 HG2 PRO 12 14.249 -5.226 -4.233 18 HG3 PRO 12 HG3 PRO 12 15.054 -3.789 -3.563 19 HD2 PRO 12 HD2 PRO 12 15.033 -6.147 -2.231 20 HD3 PRO 12 HD3 PRO 12 14.953 -4.596 -1.366 21 H LEU 13 H LEU 13 9.830 -5.716 -1.759 22 HA LEU 13 HA LEU 13 9.215 -7.027 -4.339 23 HB2 LEU 13 HB2 LEU 13 8.191 -8.926 -3.018 24 HB3 LEU 13 HB3 LEU 13 9.935 -8.807 -2.928 25 HG LEU 13 HG LEU 13 9.530 -7.589 -0.643 26 HD11 LEU 13 HD11 LEU 13 7.532 -8.262 0.601 27 HD12 LEU 13 HD12 LEU 13 6.859 -8.999 -0.855 28 HD13 LEU 13 HD13 LEU 13 7.119 -7.255 -0.787 29 HD21 LEU 13 HD21 LEU 13 9.018 -10.570 -0.881 30 HD22 LEU 13 HD22 LEU 13 9.539 -9.719 0.577 31 HD23 LEU 13 HD23 LEU 13 10.596 -9.782 -0.830 32 HA PRO 14 HA PRO 14 5.283 -4.883 -3.901 33 HB2 PRO 14 HB2 PRO 14 3.584 -6.499 -5.340 34 HB3 PRO 14 HB3 PRO 14 4.776 -5.433 -6.099 35 HG2 PRO 14 HG2 PRO 14 4.955 -8.387 -5.541 36 HG3 PRO 14 HG3 PRO 14 5.425 -7.497 -7.005 37 HD2 PRO 14 HD2 PRO 14 7.247 -8.290 -5.135 38 HD3 PRO 14 HD3 PRO 14 7.451 -6.793 -6.079 39 H VAL 15 H VAL 15 4.285 -4.831 -1.991 40 HA VAL 15 HA VAL 15 3.592 -7.187 -0.445 41 HB VAL 15 HB VAL 15 2.808 -5.606 1.284 42 HG11 VAL 15 HG11 VAL 15 5.218 -6.097 1.195 43 HG12 VAL 15 HG12 VAL 15 4.950 -4.441 1.744 44 HG13 VAL 15 HG13 VAL 15 5.474 -4.748 0.085 45 HG21 VAL 15 HG21 VAL 15 1.752 -3.907 -0.148 46 HG22 VAL 15 HG22 VAL 15 3.327 -3.408 -0.764 47 HG23 VAL 15 HG23 VAL 15 2.918 -3.141 0.932 48 H CYS 16 H CYS 16 2.154 -5.752 -3.023 49 HA CYS 16 HA CYS 16 -0.537 -5.474 -2.610 50 HB2 CYS 16 HB2 CYS 16 0.795 -6.770 -5.027 51 HB3 CYS 16 HB3 CYS 16 -0.795 -6.001 -4.998 52 HG CYS 16 HG CYS 16 0.536 -3.497 -4.142 53 HA PRO 17 HA PRO 17 -1.373 -9.714 -1.134 54 HB2 PRO 17 HB2 PRO 17 -4.132 -8.731 -0.605 55 HB3 PRO 17 HB3 PRO 17 -2.924 -9.314 0.544 56 HG2 PRO 17 HG2 PRO 17 -3.612 -6.710 0.427 57 HG3 PRO 17 HG3 PRO 17 -1.947 -7.217 0.792 58 HD2 PRO 17 HD2 PRO 17 -3.104 -6.281 -1.845 59 HD3 PRO 17 HD3 PRO 17 -1.596 -5.782 -1.037 60 H ASN 18 H ASN 18 -1.272 -10.715 -3.229 61 HA ASN 18 HA ASN 18 -3.375 -10.677 -5.108 62 HB2 ASN 18 HB2 ASN 18 -1.279 -11.497 -5.904 63 HB3 ASN 18 HB3 ASN 18 -1.163 -12.697 -4.620 64 HD21 ASN 18 HD21 ASN 18 -2.760 -11.874 -7.645 65 HD22 ASN 18 HD22 ASN 18 -3.328 -13.469 -7.992 66 HA PRO 19 HA PRO 19 -5.679 -13.809 -2.372 67 HB2 PRO 19 HB2 PRO 19 -4.574 -14.944 -0.161 68 HB3 PRO 19 HB3 PRO 19 -4.427 -15.677 -1.762 69 HG2 PRO 19 HG2 PRO 19 -2.400 -14.125 -0.198 70 HG3 PRO 19 HG3 PRO 19 -2.167 -15.516 -1.276 71 HD2 PRO 19 HD2 PRO 19 -1.730 -12.825 -1.967 72 HD3 PRO 19 HD3 PRO 19 -1.920 -14.162 -3.119 73 H LEU 20 H LEU 20 -7.083 -12.819 -0.958 74 HA LEU 20 HA LEU 20 -6.487 -10.359 0.314 75 HB2 LEU 20 HB2 LEU 20 -8.824 -12.261 0.714 76 HB3 LEU 20 HB3 LEU 20 -8.714 -10.701 1.506 77 HG LEU 20 HG LEU 20 -8.644 -9.660 -0.845 78 HD11 LEU 20 HD11 LEU 20 -8.090 -11.646 -2.146 79 HD12 LEU 20 HD12 LEU 20 -9.620 -10.953 -2.679 80 HD13 LEU 20 HD13 LEU 20 -9.613 -12.407 -1.675 81 HD21 LEU 20 HD21 LEU 20 -10.615 -9.538 0.608 82 HD22 LEU 20 HD22 LEU 20 -11.170 -11.105 0.008 83 HD23 LEU 20 HD23 LEU 20 -11.084 -9.720 -1.084 84 H PHE 21 H PHE 21 -5.911 -13.561 1.270 85 HA PHE 21 HA PHE 21 -6.089 -13.534 4.050 86 HB2 PHE 21 HB2 PHE 21 -4.143 -15.103 2.309 87 HB3 PHE 21 HB3 PHE 21 -4.567 -15.487 3.975 88 HD1 PHE 21 HD1 PHE 21 -7.657 -14.655 3.178 89 HD2 PHE 21 HD2 PHE 21 -4.757 -17.469 1.811 90 HE1 PHE 21 HE1 PHE 21 -9.448 -16.125 2.393 91 HE2 PHE 21 HE2 PHE 21 -6.558 -18.931 1.032 92 HZ PHE 21 HZ PHE 21 -8.907 -18.271 1.317 93 H VAL 22 H VAL 22 -3.574 -12.243 1.934 94 HA VAL 22 HA VAL 22 -1.509 -12.029 3.883 95 HB VAL 22 HB VAL 22 -1.919 -10.260 1.424 96 HG11 VAL 22 HG11 VAL 22 -0.325 -9.265 3.004 97 HG12 VAL 22 HG12 VAL 22 0.522 -9.831 1.564 98 HG13 VAL 22 HG13 VAL 22 0.596 -10.769 3.060 99 HG21 VAL 22 HG21 VAL 22 -0.304 -12.828 1.664 100 HG22 VAL 22 HG22 VAL 22 -0.368 -11.780 0.244 101 HG23 VAL 22 HG23 VAL 22 -1.817 -12.634 0.775 102 H ARG 23 H ARG 23 -3.883 -9.610 2.669 103 HA ARG 23 HA ARG 23 -3.131 -7.603 4.557 104 HB2 ARG 23 HB2 ARG 23 -4.962 -6.281 3.748 105 HB3 ARG 23 HB3 ARG 23 -4.257 -7.094 2.360 106 HG2 ARG 23 HG2 ARG 23 -6.104 -8.677 2.278 107 HG3 ARG 23 HG3 ARG 23 -6.775 -8.033 3.778 108 HD2 ARG 23 HD2 ARG 23 -7.059 -5.811 2.598 109 HD3 ARG 23 HD3 ARG 23 -6.585 -6.618 1.103 110 HE ARG 23 HE ARG 23 -8.651 -7.569 0.963 111 HH11 ARG 23 HH11 ARG 23 -8.316 -6.396 4.275 112 HH12 ARG 23 HH12 ARG 23 -10.011 -6.507 4.606 113 HH21 ARG 23 HH21 ARG 23 -10.867 -7.699 1.418 114 HH22 ARG 23 HH22 ARG 23 -11.458 -7.242 2.983 115 H TRP 24 H TRP 24 -5.464 -10.247 4.626 116 HA TRP 24 HA TRP 24 -6.986 -9.321 6.863 117 HB2 TRP 24 HB2 TRP 24 -6.817 -11.983 5.421 118 HB3 TRP 24 HB3 TRP 24 -7.658 -11.887 6.962 119 HD1 TRP 24 HD1 TRP 24 -8.840 -8.826 6.154 120 HE1 TRP 24 HE1 TRP 24 -10.918 -8.773 4.655 121 HE3 TRP 24 HE3 TRP 24 -8.613 -13.565 4.195 122 HZ2 TRP 24 HZ2 TRP 24 -12.281 -10.461 2.888 123 HZ3 TRP 24 HZ3 TRP 24 -10.350 -14.257 2.611 124 HH2 TRP 24 HH2 TRP 24 -12.156 -12.740 1.972 125 H LEU 25 H LEU 25 -4.381 -11.777 6.592 126 HA LEU 25 HA LEU 25 -4.183 -12.294 9.358 127 HB2 LEU 25 HB2 LEU 25 -2.255 -12.757 7.081 128 HB3 LEU 25 HB3 LEU 25 -1.860 -13.213 8.733 129 HG LEU 25 HG LEU 25 -4.283 -14.269 7.214 130 HD11 LEU 25 HD11 LEU 25 -3.077 -16.386 6.987 131 HD12 LEU 25 HD12 LEU 25 -1.639 -15.667 7.720 132 HD13 LEU 25 HD13 LEU 25 -2.223 -15.083 6.160 133 HD21 LEU 25 HD21 LEU 25 -4.494 -15.856 9.048 134 HD22 LEU 25 HD22 LEU 25 -4.531 -14.219 9.687 135 HD23 LEU 25 HD23 LEU 25 -3.066 -15.191 9.843 136 H THR 26 H THR 26 -2.813 -9.760 7.373 137 HA THR 26 HA THR 26 -0.908 -8.766 9.261 138 HB THR 26 HB THR 26 -2.299 -7.311 6.964 139 HG1 THR 26 HG1 THR 26 -0.806 -9.226 6.609 140 HG21 THR 26 HG21 THR 26 -1.342 -5.703 8.594 141 HG22 THR 26 HG22 THR 26 -0.451 -5.688 7.072 142 HG23 THR 26 HG23 THR 26 0.220 -6.518 8.477 143 H GLU 27 H GLU 27 -4.305 -7.859 8.488 144 HA GLU 27 HA GLU 27 -4.364 -5.667 10.346 145 HB2 GLU 27 HB2 GLU 27 -6.732 -5.422 9.802 146 HB3 GLU 27 HB3 GLU 27 -5.809 -5.668 8.323 147 HG2 GLU 27 HG2 GLU 27 -6.553 -7.987 8.197 148 HG3 GLU 27 HG3 GLU 27 -7.385 -7.837 9.741 149 H TRP 28 H TRP 28 -5.325 -9.060 10.490 150 HA TRP 28 HA TRP 28 -6.741 -8.934 12.964 151 HB2 TRP 28 HB2 TRP 28 -5.410 -11.304 11.593 152 HB3 TRP 28 HB3 TRP 28 -6.447 -11.430 13.008 153 HD1 TRP 28 HD1 TRP 28 -8.588 -9.179 11.586 154 HE1 TRP 28 HE1 TRP 28 -10.218 -10.175 9.867 155 HE3 TRP 28 HE3 TRP 28 -6.132 -13.546 10.552 156 HZ2 TRP 28 HZ2 TRP 28 -10.449 -12.500 8.294 157 HZ3 TRP 28 HZ3 TRP 28 -7.125 -15.105 8.931 158 HH2 TRP 28 HH2 TRP 28 -9.243 -14.594 7.822 159 H ARG 29 H ARG 29 -3.381 -9.667 12.056 160 HA ARG 29 HA ARG 29 -2.273 -10.246 14.585 161 HB2 ARG 29 HB2 ARG 29 -1.082 -10.630 12.453 162 HB3 ARG 29 HB3 ARG 29 -1.035 -8.899 12.148 163 HG2 ARG 29 HG2 ARG 29 0.382 -8.726 14.296 164 HG3 ARG 29 HG3 ARG 29 0.524 -10.486 14.206 165 HD2 ARG 29 HD2 ARG 29 2.468 -9.423 13.149 166 HD3 ARG 29 HD3 ARG 29 1.509 -10.280 11.935 167 HE ARG 29 HE ARG 29 0.734 -7.538 12.119 168 HH11 ARG 29 HH11 ARG 29 3.263 -9.562 10.728 169 HH12 ARG 29 HH12 ARG 29 3.660 -8.405 9.501 170 HH21 ARG 29 HH21 ARG 29 1.254 -6.062 10.493 171 HH22 ARG 29 HH22 ARG 29 2.519 -6.427 9.364 172 H ASP 30 H ASP 30 -2.742 -7.200 12.863 173 HA ASP 30 HA ASP 30 -1.394 -5.449 14.651 174 HB2 ASP 30 HB2 ASP 30 -1.879 -4.927 12.253 175 HB3 ASP 30 HB3 ASP 30 -3.594 -4.849 12.618 176 H GLU 31 H GLU 31 -4.830 -6.218 14.192 177 HA GLU 31 HA GLU 31 -5.866 -4.539 16.233 178 HB2 GLU 31 HB2 GLU 31 -7.030 -6.844 14.640 179 HB3 GLU 31 HB3 GLU 31 -7.968 -6.040 15.898 180 HG2 GLU 31 HG2 GLU 31 -7.905 -3.941 14.724 181 HG3 GLU 31 HG3 GLU 31 -6.728 -4.560 13.567 182 H ALA 32 H ALA 32 -4.763 -7.886 16.172 183 HA ALA 32 HA ALA 32 -5.677 -8.595 18.789 184 HB1 ALA 32 HB1 ALA 32 -3.452 -9.812 17.125 185 HB2 ALA 32 HB2 ALA 32 -5.146 -10.304 17.114 186 HB3 ALA 32 HB3 ALA 32 -4.174 -10.536 18.568 187 H ALA 33 H ALA 33 -2.744 -7.133 17.496 188 HA ALA 33 HA ALA 33 -1.201 -7.077 19.891 189 HB1 ALA 33 HB1 ALA 33 0.190 -5.420 18.718 190 HB2 ALA 33 HB2 ALA 33 -1.054 -5.244 17.476 191 HB3 ALA 33 HB3 ALA 33 -0.203 -6.776 17.656 192 H SER 34 H SER 34 -3.605 -4.908 18.481 193 HA SER 34 HA SER 34 -3.167 -2.736 20.342 194 HB2 SER 34 HB2 SER 34 -5.376 -3.198 18.291 195 HB3 SER 34 HB3 SER 34 -5.097 -1.688 19.163 196 HG SER 34 HG SER 34 -3.397 -2.951 17.274 197 H ARG 35 H ARG 35 -5.412 -5.439 20.056 198 HA ARG 35 HA ARG 35 -7.222 -4.405 22.125 199 HB2 ARG 35 HB2 ARG 35 -7.855 -5.623 19.829 200 HB3 ARG 35 HB3 ARG 35 -7.603 -7.080 20.766 201 HG2 ARG 35 HG2 ARG 35 -9.930 -6.651 20.839 202 HG3 ARG 35 HG3 ARG 35 -9.312 -6.179 22.422 203 HD2 ARG 35 HD2 ARG 35 -9.389 -3.831 21.819 204 HD3 ARG 35 HD3 ARG 35 -9.797 -4.230 20.144 205 HE ARG 35 HE ARG 35 -11.638 -5.049 22.294 206 HH11 ARG 35 HH11 ARG 35 -11.038 -2.923 19.547 207 HH12 ARG 35 HH12 ARG 35 -12.697 -2.456 19.394 208 HH21 ARG 35 HH21 ARG 35 -13.801 -4.388 22.098 209 HH22 ARG 35 HH22 ARG 35 -14.263 -3.289 20.842 210 H GLY 36 H GLY 36 -4.427 -6.259 21.980 211 HA2 GLY 36 HA2 GLY 36 -3.268 -7.340 23.652 212 HA3 GLY 36 HA3 GLY 36 -4.658 -7.180 24.711 213 H ARG 37 H ARG 37 -5.464 -8.559 21.712 214 HA ARG 37 HA ARG 37 -6.139 -11.106 22.819 215 HB2 ARG 37 HB2 ARG 37 -5.956 -10.351 19.878 216 HB3 ARG 37 HB3 ARG 37 -6.807 -11.738 20.544 217 HG2 ARG 37 HG2 ARG 37 -7.564 -8.831 21.003 218 HG3 ARG 37 HG3 ARG 37 -8.296 -9.894 19.804 219 HD2 ARG 37 HD2 ARG 37 -8.990 -11.408 21.729 220 HD3 ARG 37 HD3 ARG 37 -8.462 -10.122 22.827 221 HE ARG 37 HE ARG 37 -10.272 -9.153 20.828 222 HH11 ARG 37 HH11 ARG 37 -10.248 -10.795 23.937 223 HH12 ARG 37 HH12 ARG 37 -11.877 -10.347 24.315 224 HH21 ARG 37 HH21 ARG 37 -12.385 -8.598 21.322 225 HH22 ARG 37 HH22 ARG 37 -13.102 -9.108 22.817 226 H HIS 38 H HIS 38 -4.798 -12.803 23.104 227 HA HIS 38 HA HIS 38 -2.048 -12.776 22.287 228 HB2 HIS 38 HB2 HIS 38 -3.675 -14.989 23.606 229 HB3 HIS 38 HB3 HIS 38 -1.920 -14.981 23.437 230 HD1 HIS 38 HD1 HIS 38 -4.605 -13.886 25.654 231 HD2 HIS 38 HD2 HIS 38 -0.653 -12.805 24.944 232 HE1 HIS 38 HE1 HIS 38 -3.919 -12.503 27.635 233 HE2 HIS 38 HE2 HIS 38 -1.589 -11.722 27.101 234 H THR 39 H THR 39 -4.823 -13.649 20.628 235 HA THR 39 HA THR 39 -3.889 -15.691 18.909 236 HB THR 39 HB THR 39 -5.658 -14.768 17.312 237 HG1 THR 39 HG1 THR 39 -6.396 -12.835 17.716 238 HG21 THR 39 HG21 THR 39 -6.571 -15.321 20.160 239 HG22 THR 39 HG22 THR 39 -6.252 -16.538 18.924 240 HG23 THR 39 HG23 THR 39 -7.585 -15.403 18.715 241 H ARG 40 H ARG 40 -2.802 -12.459 19.232 242 HA ARG 40 HA ARG 40 -2.023 -11.650 16.697 243 HB2 ARG 40 HB2 ARG 40 -1.608 -10.304 18.739 244 HB3 ARG 40 HB3 ARG 40 -0.379 -11.457 19.259 245 HG2 ARG 40 HG2 ARG 40 0.937 -10.894 17.184 246 HG3 ARG 40 HG3 ARG 40 -0.256 -9.643 16.820 247 HD2 ARG 40 HD2 ARG 40 1.723 -8.675 17.888 248 HD3 ARG 40 HD3 ARG 40 0.313 -8.499 18.930 249 HE ARG 40 HE ARG 40 1.208 -10.024 20.437 250 HH11 ARG 40 HH11 ARG 40 3.372 -9.739 17.659 251 HH12 ARG 40 HH12 ARG 40 4.705 -10.483 18.485 252 HH21 ARG 40 HH21 ARG 40 2.975 -10.992 21.485 253 HH22 ARG 40 HH22 ARG 40 4.478 -11.192 20.641 254 H PHE 41 H PHE 41 -0.571 -14.066 18.799 255 HA PHE 41 HA PHE 41 1.807 -14.596 17.389 256 HB2 PHE 41 HB2 PHE 41 0.176 -16.308 19.310 257 HB3 PHE 41 HB3 PHE 41 1.726 -16.825 18.656 258 HD1 PHE 41 HD1 PHE 41 0.154 -14.019 20.604 259 HD2 PHE 41 HD2 PHE 41 3.717 -16.238 19.774 260 HE1 PHE 41 HE1 PHE 41 1.325 -12.832 22.411 261 HE2 PHE 41 HE2 PHE 41 4.877 -15.044 21.584 262 HZ PHE 41 HZ PHE 41 3.686 -13.340 22.902 263 H VAL 42 H VAL 42 -1.406 -16.247 17.217 264 HA VAL 42 HA VAL 42 -0.514 -18.197 15.325 265 HB VAL 42 HB VAL 42 -2.459 -18.606 16.868 266 HG11 VAL 42 HG11 VAL 42 -4.045 -16.839 14.978 267 HG12 VAL 42 HG12 VAL 42 -3.668 -16.480 16.663 268 HG13 VAL 42 HG13 VAL 42 -4.723 -17.837 16.269 269 HG21 VAL 42 HG21 VAL 42 -3.043 -19.045 13.918 270 HG22 VAL 42 HG22 VAL 42 -3.787 -19.931 15.253 271 HG23 VAL 42 HG23 VAL 42 -2.055 -20.085 14.947 272 H PHE 43 H PHE 43 -2.048 -15.029 15.004 273 HA PHE 43 HA PHE 43 -2.543 -15.194 12.169 274 HB2 PHE 43 HB2 PHE 43 -2.400 -12.773 14.020 275 HB3 PHE 43 HB3 PHE 43 -2.922 -12.707 12.342 276 HD1 PHE 43 HD1 PHE 43 -4.666 -15.085 12.135 277 HD2 PHE 43 HD2 PHE 43 -4.331 -12.211 15.281 278 HE1 PHE 43 HE1 PHE 43 -6.984 -15.543 12.803 279 HE2 PHE 43 HE2 PHE 43 -6.661 -12.674 15.940 280 HZ PHE 43 HZ PHE 43 -7.987 -14.343 14.701 281 H GLN 44 H GLN 44 0.139 -14.144 14.189 282 HA GLN 44 HA GLN 44 1.586 -12.709 12.165 283 HB2 GLN 44 HB2 GLN 44 1.895 -12.128 14.507 284 HB3 GLN 44 HB3 GLN 44 2.411 -13.761 14.901 285 HG2 GLN 44 HG2 GLN 44 4.499 -13.468 13.749 286 HG3 GLN 44 HG3 GLN 44 3.968 -11.941 13.041 287 HE21 GLN 44 HE21 GLN 44 3.947 -10.082 14.334 288 HE22 GLN 44 HE22 GLN 44 4.786 -9.992 15.836 289 H LYS 45 H LYS 45 1.872 -15.949 13.619 290 HA LYS 45 HA LYS 45 4.181 -16.703 12.092 291 HB2 LYS 45 HB2 LYS 45 3.921 -18.922 13.040 292 HB3 LYS 45 HB3 LYS 45 3.665 -17.721 14.302 293 HG2 LYS 45 HG2 LYS 45 1.200 -18.040 14.067 294 HG3 LYS 45 HG3 LYS 45 1.497 -19.283 12.851 295 HD2 LYS 45 HD2 LYS 45 1.022 -20.320 15.013 296 HD3 LYS 45 HD3 LYS 45 2.690 -20.650 14.540 297 HE2 LYS 45 HE2 LYS 45 3.498 -18.926 16.090 298 HE3 LYS 45 HE3 LYS 45 1.838 -18.484 16.502 299 HZ1 LYS 45 HZ1 LYS 45 3.092 -21.127 17.019 300 HZ2 LYS 45 HZ2 LYS 45 1.516 -20.667 17.443 301 HZ3 LYS 45 HZ3 LYS 45 2.839 -19.909 18.166 302 H ALA 46 H ALA 46 0.688 -17.067 11.680 303 HA ALA 46 HA ALA 46 0.767 -18.832 9.436 304 HB1 ALA 46 HB1 ALA 46 -1.588 -18.204 9.103 305 HB2 ALA 46 HB2 ALA 46 -1.411 -16.882 10.264 306 HB3 ALA 46 HB3 ALA 46 -1.260 -18.556 10.802 307 H LEU 47 H LEU 47 0.629 -15.281 9.778 308 HA LEU 47 HA LEU 47 0.476 -14.628 7.021 309 HB2 LEU 47 HB2 LEU 47 -0.062 -12.983 8.754 310 HB3 LEU 47 HB3 LEU 47 1.586 -13.028 9.354 311 HG LEU 47 HG LEU 47 2.396 -12.022 7.220 312 HD11 LEU 47 HD11 LEU 47 0.814 -11.055 5.602 313 HD12 LEU 47 HD12 LEU 47 -0.537 -11.807 6.453 314 HD13 LEU 47 HD13 LEU 47 0.685 -12.812 5.666 315 HD21 LEU 47 HD21 LEU 47 1.900 -10.564 9.124 316 HD22 LEU 47 HD22 LEU 47 0.225 -10.404 8.591 317 HD23 LEU 47 HD23 LEU 47 1.533 -9.753 7.602 318 H ARG 48 H ARG 48 3.215 -14.988 9.240 319 HA ARG 48 HA ARG 48 5.240 -14.203 7.421 320 HB2 ARG 48 HB2 ARG 48 5.557 -14.220 9.892 321 HB3 ARG 48 HB3 ARG 48 5.507 -15.981 9.890 322 HG2 ARG 48 HG2 ARG 48 7.577 -16.083 8.602 323 HG3 ARG 48 HG3 ARG 48 7.590 -14.329 8.412 324 HD2 ARG 48 HD2 ARG 48 7.946 -14.046 10.822 325 HD3 ARG 48 HD3 ARG 48 7.831 -15.795 11.063 326 HE ARG 48 HE ARG 48 9.853 -15.333 9.185 327 HH11 ARG 48 HH11 ARG 48 9.321 -14.644 12.593 328 HH12 ARG 48 HH12 ARG 48 11.008 -14.742 12.991 329 HH21 ARG 48 HH21 ARG 48 12.042 -15.471 9.719 330 HH22 ARG 48 HH22 ARG 48 12.555 -15.207 11.357 331 H SER 49 H SER 49 3.808 -17.353 8.268 332 HA SER 49 HA SER 49 5.398 -19.006 6.609 333 HB2 SER 49 HB2 SER 49 2.537 -19.358 7.576 334 HB3 SER 49 HB3 SER 49 3.427 -20.603 6.692 335 HG SER 49 HG SER 49 4.476 -19.424 9.031 336 H LEU 50 H LEU 50 2.386 -17.232 6.003 337 HA LEU 50 HA LEU 50 1.764 -18.177 3.439 338 HB2 LEU 50 HB2 LEU 50 0.156 -16.993 4.825 339 HB3 LEU 50 HB3 LEU 50 1.152 -15.553 4.840 340 HG LEU 50 HG LEU 50 0.653 -15.159 2.447 341 HD11 LEU 50 HD11 LEU 50 -1.059 -16.472 1.275 342 HD12 LEU 50 HD12 LEU 50 -1.132 -17.601 2.629 343 HD13 LEU 50 HD13 LEU 50 0.347 -17.459 1.676 344 HD21 LEU 50 HD21 LEU 50 -0.785 -14.147 4.163 345 HD22 LEU 50 HD22 LEU 50 -1.831 -15.570 4.144 346 HD23 LEU 50 HD23 LEU 50 -1.712 -14.541 2.716 347 H GLN 51 H GLN 51 3.809 -15.481 4.484 348 HA GLN 51 HA GLN 51 4.280 -14.439 1.837 349 HB2 GLN 51 HB2 GLN 51 5.582 -13.805 4.516 350 HB3 GLN 51 HB3 GLN 51 5.918 -12.929 3.023 351 HG2 GLN 51 HG2 GLN 51 3.545 -12.219 2.915 352 HG3 GLN 51 HG3 GLN 51 3.221 -13.102 4.407 353 HE21 GLN 51 HE21 GLN 51 4.781 -10.295 3.016 354 HE22 GLN 51 HE22 GLN 51 5.019 -9.437 4.497 355 H ARG 52 H ARG 52 6.142 -16.470 4.121 356 HA ARG 52 HA ARG 52 8.542 -16.459 2.509 357 HB2 ARG 52 HB2 ARG 52 9.497 -17.982 4.143 358 HB3 ARG 52 HB3 ARG 52 8.625 -16.715 4.998 359 HG2 ARG 52 HG2 ARG 52 6.725 -18.284 5.333 360 HG3 ARG 52 HG3 ARG 52 7.646 -19.554 4.530 361 HD2 ARG 52 HD2 ARG 52 8.541 -18.123 7.061 362 HD3 ARG 52 HD3 ARG 52 7.691 -19.670 7.040 363 HE ARG 52 HE ARG 52 9.769 -20.220 5.464 364 HH11 ARG 52 HH11 ARG 52 9.733 -18.598 8.587 365 HH12 ARG 52 HH12 ARG 52 11.275 -19.227 9.064 366 HH21 ARG 52 HH21 ARG 52 11.764 -21.040 6.101 367 HH22 ARG 52 HH22 ARG 52 12.438 -20.605 7.636 368 H TYR 53 H TYR 53 5.693 -18.461 2.703 369 HA TYR 53 HA TYR 53 6.803 -20.822 1.464 370 HB2 TYR 53 HB2 TYR 53 4.742 -20.595 3.097 371 HB3 TYR 53 HB3 TYR 53 3.836 -20.192 1.652 372 HD1 TYR 53 HD1 TYR 53 6.392 -22.813 2.539 373 HD2 TYR 53 HD2 TYR 53 2.493 -22.013 0.983 374 HE1 TYR 53 HE1 TYR 53 6.022 -25.221 2.231 375 HE2 TYR 53 HE2 TYR 53 2.122 -24.425 0.681 376 HH TYR 53 HH TYR 53 3.366 -26.469 0.455 377 HA PRO 54 HA PRO 54 6.652 -18.777 -2.553 378 HB2 PRO 54 HB2 PRO 54 7.489 -20.831 -4.142 379 HB3 PRO 54 HB3 PRO 54 8.585 -19.986 -3.038 380 HG2 PRO 54 HG2 PRO 54 7.117 -22.599 -2.622 381 HG3 PRO 54 HG3 PRO 54 8.832 -22.228 -2.329 382 HD2 PRO 54 HD2 PRO 54 7.016 -22.233 -0.313 383 HD3 PRO 54 HD3 PRO 54 8.377 -21.086 -0.336 384 H LEU 55 H LEU 55 4.733 -21.528 -1.710 385 HA LEU 55 HA LEU 55 3.106 -21.650 -4.077 386 HB2 LEU 55 HB2 LEU 55 3.436 -23.577 -2.517 387 HB3 LEU 55 HB3 LEU 55 2.567 -22.695 -1.277 388 HG LEU 55 HG LEU 55 0.514 -22.743 -2.721 389 HD11 LEU 55 HD11 LEU 55 2.147 -24.575 -4.505 390 HD12 LEU 55 HD12 LEU 55 1.577 -22.956 -4.918 391 HD13 LEU 55 HD13 LEU 55 0.416 -24.253 -4.653 392 HD21 LEU 55 HD21 LEU 55 0.816 -24.414 -0.943 393 HD22 LEU 55 HD22 LEU 55 1.672 -25.474 -2.065 394 HD23 LEU 55 HD23 LEU 55 -0.037 -25.108 -2.322 395 HA PRO 56 HA PRO 56 0.706 -17.983 -2.811 396 HB2 PRO 56 HB2 PRO 56 -0.919 -18.423 -5.248 397 HB3 PRO 56 HB3 PRO 56 0.169 -17.082 -4.870 398 HG2 PRO 56 HG2 PRO 56 0.764 -18.920 -6.773 399 HG3 PRO 56 HG3 PRO 56 2.019 -18.147 -5.782 400 HD2 PRO 56 HD2 PRO 56 0.754 -20.874 -5.435 401 HD3 PRO 56 HD3 PRO 56 2.474 -20.421 -5.379 402 H LEU 57 H LEU 57 -0.391 -18.750 -1.026 403 HA LEU 57 HA LEU 57 -2.531 -20.713 -1.209 404 HB2 LEU 57 HB2 LEU 57 -1.790 -18.993 1.194 405 HB3 LEU 57 HB3 LEU 57 -2.710 -20.489 1.205 406 HG LEU 57 HG LEU 57 0.241 -20.271 0.481 407 HD11 LEU 57 HD11 LEU 57 -0.992 -21.260 3.071 408 HD12 LEU 57 HD12 LEU 57 -0.114 -19.744 2.847 409 HD13 LEU 57 HD13 LEU 57 0.724 -21.281 2.650 410 HD21 LEU 57 HD21 LEU 57 -1.452 -22.755 0.932 411 HD22 LEU 57 HD22 LEU 57 0.284 -22.718 0.611 412 HD23 LEU 57 HD23 LEU 57 -0.847 -22.176 -0.624 413 H ARG 58 H ARG 58 -3.810 -19.544 -2.724 414 HA ARG 58 HA ARG 58 -5.265 -17.157 -1.885 415 HB2 ARG 58 HB2 ARG 58 -4.368 -17.612 -4.263 416 HB3 ARG 58 HB3 ARG 58 -5.653 -18.803 -4.423 417 HG2 ARG 58 HG2 ARG 58 -7.341 -17.027 -4.120 418 HG3 ARG 58 HG3 ARG 58 -6.055 -15.830 -3.928 419 HD2 ARG 58 HD2 ARG 58 -6.598 -17.485 -6.428 420 HD3 ARG 58 HD3 ARG 58 -6.996 -15.782 -6.206 421 HE ARG 58 HE ARG 58 -4.474 -15.493 -5.898 422 HH11 ARG 58 HH11 ARG 58 -5.795 -17.983 -8.000 423 HH12 ARG 58 HH12 ARG 58 -4.456 -17.926 -9.102 424 HH21 ARG 58 HH21 ARG 58 -2.717 -15.445 -7.368 425 HH22 ARG 58 HH22 ARG 58 -2.732 -16.488 -8.755 426 H SER 59 H SER 59 -5.532 -20.490 -1.481 427 HA SER 59 HA SER 59 -8.406 -20.346 -0.779 428 HB2 SER 59 HB2 SER 59 -8.101 -21.896 -2.655 429 HB3 SER 59 HB3 SER 59 -6.796 -22.723 -1.807 430 HG SER 59 HG SER 59 -9.014 -23.670 -1.761 431 H GLY 60 H GLY 60 -8.902 -20.807 1.304 432 HA2 GLY 60 HA2 GLY 60 -6.970 -21.041 3.369 433 HA3 GLY 60 HA3 GLY 60 -8.706 -21.278 3.543 434 H LYS 61 H LYS 61 -8.634 -23.437 1.466 435 HA LYS 61 HA LYS 61 -8.208 -25.755 3.050 436 HB2 LYS 61 HB2 LYS 61 -9.765 -25.665 1.115 437 HB3 LYS 61 HB3 LYS 61 -8.397 -25.443 0.029 438 HG2 LYS 61 HG2 LYS 61 -7.559 -27.728 0.779 439 HG3 LYS 61 HG3 LYS 61 -9.091 -27.926 1.631 440 HD2 LYS 61 HD2 LYS 61 -9.213 -29.043 -0.539 441 HD3 LYS 61 HD3 LYS 61 -10.311 -27.660 -0.522 442 HE2 LYS 61 HE2 LYS 61 -8.655 -26.324 -1.778 443 HE3 LYS 61 HE3 LYS 61 -7.539 -27.689 -1.777 444 HZ1 LYS 61 HZ1 LYS 61 -9.237 -28.946 -3.017 445 HZ2 LYS 61 HZ2 LYS 61 -8.652 -27.600 -3.853 446 HZ3 LYS 61 HZ3 LYS 61 -10.177 -27.543 -3.121 447 H GLU 62 H GLU 62 -6.248 -24.074 0.626 448 HA GLU 62 HA GLU 62 -4.097 -25.976 0.525 449 HB2 GLU 62 HB2 GLU 62 -4.203 -23.060 -0.368 450 HB3 GLU 62 HB3 GLU 62 -2.918 -24.198 -0.777 451 HG2 GLU 62 HG2 GLU 62 -5.836 -24.455 -1.592 452 HG3 GLU 62 HG3 GLU 62 -4.532 -23.864 -2.620 453 H ALA 63 H ALA 63 -4.920 -23.306 2.564 454 HA ALA 63 HA ALA 63 -2.345 -22.823 3.723 455 HB1 ALA 63 HB1 ALA 63 -3.608 -21.531 5.402 456 HB2 ALA 63 HB2 ALA 63 -5.122 -22.192 4.778 457 HB3 ALA 63 HB3 ALA 63 -4.133 -21.139 3.764 458 H LYS 64 H LYS 64 -4.759 -25.264 4.187 459 HA LYS 64 HA LYS 64 -4.351 -25.955 6.908 460 HB2 LYS 64 HB2 LYS 64 -6.387 -26.658 5.893 461 HB3 LYS 64 HB3 LYS 64 -5.557 -27.417 4.549 462 HG2 LYS 64 HG2 LYS 64 -6.526 -29.115 5.975 463 HG3 LYS 64 HG3 LYS 64 -4.769 -29.226 6.034 464 HD2 LYS 64 HD2 LYS 64 -4.844 -27.982 8.237 465 HD3 LYS 64 HD3 LYS 64 -6.609 -28.072 8.169 466 HE2 LYS 64 HE2 LYS 64 -6.483 -30.546 8.163 467 HE3 LYS 64 HE3 LYS 64 -4.721 -30.464 8.196 468 HZ1 LYS 64 HZ1 LYS 64 -6.563 -29.525 10.314 469 HZ2 LYS 64 HZ2 LYS 64 -4.881 -29.370 10.359 470 HZ3 LYS 64 HZ3 LYS 64 -5.591 -30.905 10.371 471 H ILE 65 H ILE 65 -2.551 -26.837 3.982 472 HA ILE 65 HA ILE 65 -1.253 -29.139 5.062 473 HB ILE 65 HB ILE 65 0.324 -29.057 3.208 474 HG12 ILE 65 HG12 ILE 65 -0.792 -26.294 2.572 475 HG13 ILE 65 HG13 ILE 65 0.827 -26.637 3.158 476 HG21 ILE 65 HG21 ILE 65 -1.257 -29.147 1.306 477 HG22 ILE 65 HG22 ILE 65 -2.472 -28.309 2.271 478 HG23 ILE 65 HG23 ILE 65 -1.936 -29.924 2.739 479 HD11 ILE 65 HD11 ILE 65 0.877 -26.151 0.809 480 HD12 ILE 65 HD12 ILE 65 -0.321 -27.401 0.478 481 HD13 ILE 65 HD13 ILE 65 1.289 -27.850 1.051 482 H LEU 66 H LEU 66 -0.798 -25.777 5.619 483 HA LEU 66 HA LEU 66 1.772 -26.212 7.005 484 HB2 LEU 66 HB2 LEU 66 0.307 -23.560 6.677 485 HB3 LEU 66 HB3 LEU 66 1.953 -23.816 7.228 486 HG LEU 66 HG LEU 66 2.338 -24.783 4.790 487 HD11 LEU 66 HD11 LEU 66 -0.023 -24.799 4.114 488 HD12 LEU 66 HD12 LEU 66 0.946 -23.771 3.060 489 HD13 LEU 66 HD13 LEU 66 -0.093 -23.044 4.290 490 HD21 LEU 66 HD21 LEU 66 2.949 -22.556 3.971 491 HD22 LEU 66 HD22 LEU 66 3.426 -22.763 5.653 492 HD23 LEU 66 HD23 LEU 66 1.997 -21.806 5.256 493 H GLN 67 H GLN 67 1.727 -26.624 9.117 494 HA GLN 67 HA GLN 67 -0.755 -26.544 10.621 495 HB2 GLN 67 HB2 GLN 67 2.012 -27.567 11.383 496 HB3 GLN 67 HB3 GLN 67 0.590 -27.692 12.407 497 HG2 GLN 67 HG2 GLN 67 0.897 -29.826 11.383 498 HG3 GLN 67 HG3 GLN 67 -0.500 -29.087 10.605 499 HE21 GLN 67 HE21 GLN 67 -0.302 -30.387 8.760 500 HE22 GLN 67 HE22 GLN 67 0.966 -30.185 7.606 501 H HIS 68 H HIS 68 1.845 -24.391 10.148 502 HA HIS 68 HA HIS 68 1.790 -22.935 12.605 503 HB2 HIS 68 HB2 HIS 68 2.378 -21.929 9.779 504 HB3 HIS 68 HB3 HIS 68 2.666 -21.006 11.253 505 HD1 HIS 68 HD1 HIS 68 4.773 -22.203 9.012 506 HD2 HIS 68 HD2 HIS 68 4.220 -23.398 12.961 507 HE1 HIS 68 HE1 HIS 68 6.926 -23.321 9.688 508 HE2 HIS 68 HE2 HIS 68 6.581 -24.002 12.086 509 H PHE 69 H PHE 69 -0.212 -22.883 9.694 510 HA PHE 69 HA PHE 69 -2.117 -20.955 10.656 511 HB2 PHE 69 HB2 PHE 69 -2.309 -23.110 8.496 512 HB3 PHE 69 HB3 PHE 69 -3.595 -21.963 8.844 513 HD1 PHE 69 HD1 PHE 69 0.031 -22.052 7.828 514 HD2 PHE 69 HD2 PHE 69 -3.682 -19.954 7.605 515 HE1 PHE 69 HE1 PHE 69 0.987 -20.513 6.161 516 HE2 PHE 69 HE2 PHE 69 -2.714 -18.421 5.947 517 HZ PHE 69 HZ PHE 69 -0.384 -18.701 5.219 518 H GLY 70 H GLY 70 -2.521 -24.493 10.040 519 HA2 GLY 70 HA2 GLY 70 -3.440 -26.158 11.383 520 HA3 GLY 70 HA3 GLY 70 -3.671 -24.991 12.675 521 H ASP 71 H ASP 71 -5.715 -26.645 12.452 522 HA ASP 71 HA ASP 71 -7.624 -26.420 10.441 523 HB2 ASP 71 HB2 ASP 71 -8.026 -27.005 13.399 524 HB3 ASP 71 HB3 ASP 71 -9.316 -27.155 12.209 525 H ARG 72 H ARG 72 -7.433 -24.541 13.467 526 HA ARG 72 HA ARG 72 -9.949 -23.251 13.233 527 HB2 ARG 72 HB2 ARG 72 -7.483 -22.364 14.806 528 HB3 ARG 72 HB3 ARG 72 -9.121 -21.749 15.040 529 HG2 ARG 72 HG2 ARG 72 -8.212 -24.615 15.514 530 HG3 ARG 72 HG3 ARG 72 -8.513 -23.399 16.763 531 HD2 ARG 72 HD2 ARG 72 -10.869 -23.301 16.161 532 HD3 ARG 72 HD3 ARG 72 -10.611 -24.402 14.805 533 HE ARG 72 HE ARG 72 -9.763 -25.755 17.077 534 HH11 ARG 72 HH11 ARG 72 -12.802 -24.387 15.941 535 HH12 ARG 72 HH12 ARG 72 -13.774 -25.571 16.753 536 HH21 ARG 72 HH21 ARG 72 -11.045 -27.313 18.113 537 HH22 ARG 72 HH22 ARG 72 -12.772 -27.238 17.989 538 H LEU 73 H LEU 73 -6.644 -22.201 12.409 539 HA LEU 73 HA LEU 73 -7.316 -19.565 11.568 540 HB2 LEU 73 HB2 LEU 73 -4.998 -20.635 12.185 541 HB3 LEU 73 HB3 LEU 73 -4.947 -21.154 10.522 542 HG LEU 73 HG LEU 73 -3.588 -19.199 10.729 543 HD11 LEU 73 HD11 LEU 73 -6.115 -18.176 9.432 544 HD12 LEU 73 HD12 LEU 73 -4.980 -19.293 8.676 545 HD13 LEU 73 HD13 LEU 73 -4.446 -17.678 9.122 546 HD21 LEU 73 HD21 LEU 73 -4.462 -18.341 12.818 547 HD22 LEU 73 HD22 LEU 73 -5.921 -17.765 12.004 548 HD23 LEU 73 HD23 LEU 73 -4.348 -17.061 11.614 549 H CYS 74 H CYS 74 -6.662 -22.574 9.752 550 HA CYS 74 HA CYS 74 -6.944 -21.548 7.151 551 HB2 CYS 74 HB2 CYS 74 -7.306 -24.406 8.118 552 HB3 CYS 74 HB3 CYS 74 -7.021 -23.921 6.444 553 HG CYS 74 HG CYS 74 -4.468 -22.815 7.088 554 H ARG 75 H ARG 75 -9.296 -22.901 9.384 555 HA ARG 75 HA ARG 75 -11.386 -23.296 7.465 556 HB2 ARG 75 HB2 ARG 75 -11.207 -24.548 9.668 557 HB3 ARG 75 HB3 ARG 75 -11.688 -23.072 10.492 558 HG2 ARG 75 HG2 ARG 75 -13.623 -24.512 10.264 559 HG3 ARG 75 HG3 ARG 75 -13.840 -23.094 9.236 560 HD2 ARG 75 HD2 ARG 75 -12.891 -24.583 7.322 561 HD3 ARG 75 HD3 ARG 75 -13.202 -25.934 8.414 562 HE ARG 75 HE ARG 75 -15.511 -25.581 8.208 563 HH11 ARG 75 HH11 ARG 75 -13.717 -23.168 6.378 564 HH12 ARG 75 HH12 ARG 75 -15.085 -22.680 5.434 565 HH21 ARG 75 HH21 ARG 75 -17.320 -24.899 6.969 566 HH22 ARG 75 HH22 ARG 75 -17.125 -23.643 5.784 567 H MET 76 H MET 76 -10.625 -20.760 9.870 568 HA MET 76 HA MET 76 -12.912 -19.114 9.307 569 HB2 MET 76 HB2 MET 76 -10.259 -18.408 10.630 570 HB3 MET 76 HB3 MET 76 -11.650 -17.332 10.562 571 HG2 MET 76 HG2 MET 76 -12.944 -18.996 11.888 572 HG3 MET 76 HG3 MET 76 -11.490 -19.982 12.021 573 HE1 MET 76 HE1 MET 76 -9.126 -17.496 14.060 574 HE2 MET 76 HE2 MET 76 -9.275 -17.519 12.304 575 HE3 MET 76 HE3 MET 76 -9.197 -19.037 13.204 576 H LEU 77 H LEU 77 -9.642 -19.332 8.115 577 HA LEU 77 HA LEU 77 -9.427 -16.979 6.599 578 HB2 LEU 77 HB2 LEU 77 -7.679 -18.841 7.323 579 HB3 LEU 77 HB3 LEU 77 -8.125 -19.597 5.808 580 HG LEU 77 HG LEU 77 -7.360 -17.528 4.608 581 HD11 LEU 77 HD11 LEU 77 -5.995 -15.869 5.821 582 HD12 LEU 77 HD12 LEU 77 -6.394 -16.658 7.352 583 HD13 LEU 77 HD13 LEU 77 -7.662 -15.887 6.397 584 HD21 LEU 77 HD21 LEU 77 -5.871 -19.466 4.824 585 HD22 LEU 77 HD22 LEU 77 -5.277 -18.864 6.372 586 HD23 LEU 77 HD23 LEU 77 -4.948 -17.963 4.888 587 H ASP 78 H ASP 78 -10.491 -20.245 5.794 588 HA ASP 78 HA ASP 78 -11.234 -19.860 3.091 589 HB2 ASP 78 HB2 ASP 78 -10.848 -22.102 4.027 590 HB3 ASP 78 HB3 ASP 78 -12.184 -21.899 5.156 591 H GLU 79 H GLU 79 -12.988 -19.570 6.147 592 HA GLU 79 HA GLU 79 -15.582 -19.192 5.063 593 HB2 GLU 79 HB2 GLU 79 -14.394 -18.695 7.793 594 HB3 GLU 79 HB3 GLU 79 -16.045 -18.204 7.428 595 HG2 GLU 79 HG2 GLU 79 -14.953 -21.028 7.219 596 HG3 GLU 79 HG3 GLU 79 -15.956 -20.391 8.516 597 H LYS 80 H LYS 80 -13.043 -16.928 5.954 598 HA LYS 80 HA LYS 80 -14.526 -14.532 5.605 599 HB2 LYS 80 HB2 LYS 80 -11.536 -15.070 5.438 600 HB3 LYS 80 HB3 LYS 80 -12.238 -13.458 5.364 601 HG2 LYS 80 HG2 LYS 80 -12.313 -15.378 7.712 602 HG3 LYS 80 HG3 LYS 80 -11.388 -13.884 7.590 603 HD2 LYS 80 HD2 LYS 80 -14.413 -14.144 7.724 604 HD3 LYS 80 HD3 LYS 80 -13.350 -13.553 9.002 605 HE2 LYS 80 HE2 LYS 80 -12.747 -11.607 7.607 606 HE3 LYS 80 HE3 LYS 80 -13.783 -12.209 6.306 607 HZ1 LYS 80 HZ1 LYS 80 -14.938 -10.546 7.566 608 HZ2 LYS 80 HZ2 LYS 80 -14.661 -11.375 9.014 609 HZ3 LYS 80 HZ3 LYS 80 -15.675 -12.046 7.838 610 H LEU 81 H LEU 81 -12.403 -16.431 3.483 611 HA LEU 81 HA LEU 81 -12.576 -14.849 1.164 612 HB2 LEU 81 HB2 LEU 81 -10.960 -16.760 1.733 613 HB3 LEU 81 HB3 LEU 81 -12.216 -17.872 1.264 614 HG LEU 81 HG LEU 81 -10.353 -17.439 -0.430 615 HD11 LEU 81 HD11 LEU 81 -13.158 -16.952 -1.440 616 HD12 LEU 81 HD12 LEU 81 -12.400 -18.517 -1.142 617 HD13 LEU 81 HD13 LEU 81 -11.771 -17.466 -2.407 618 HD21 LEU 81 HD21 LEU 81 -10.434 -15.429 -1.809 619 HD22 LEU 81 HD22 LEU 81 -10.134 -15.021 -0.122 620 HD23 LEU 81 HD23 LEU 81 -11.739 -14.771 -0.816 621 H LYS 82 H LYS 82 -14.608 -17.407 2.483 622 HA LYS 82 HA LYS 82 -16.474 -17.707 0.375 623 HB2 LYS 82 HB2 LYS 82 -16.280 -19.432 2.061 624 HB3 LYS 82 HB3 LYS 82 -16.625 -18.308 3.358 625 HG2 LYS 82 HG2 LYS 82 -18.764 -18.808 1.293 626 HG3 LYS 82 HG3 LYS 82 -18.444 -20.064 2.490 627 HD2 LYS 82 HD2 LYS 82 -18.994 -18.554 4.319 628 HD3 LYS 82 HD3 LYS 82 -19.104 -17.176 3.220 629 HE2 LYS 82 HE2 LYS 82 -21.347 -17.899 3.811 630 HE3 LYS 82 HE3 LYS 82 -21.065 -18.275 2.111 631 HZ1 LYS 82 HZ1 LYS 82 -22.141 -20.106 3.180 632 HZ2 LYS 82 HZ2 LYS 82 -20.962 -20.176 4.384 633 HZ3 LYS 82 HZ3 LYS 82 -20.562 -20.574 2.792 634 H GLN 83 H GLN 83 -16.340 -15.502 3.183 635 HA GLN 83 HA GLN 83 -18.947 -14.364 2.845 636 HB2 GLN 83 HB2 GLN 83 -16.470 -13.316 4.282 637 HB3 GLN 83 HB3 GLN 83 -18.027 -12.490 4.310 638 HG2 GLN 83 HG2 GLN 83 -19.026 -14.540 5.338 639 HG3 GLN 83 HG3 GLN 83 -17.413 -15.237 5.411 640 HE21 GLN 83 HE21 GLN 83 -19.509 -12.721 6.688 641 HE22 GLN 83 HE22 GLN 83 -18.564 -12.377 8.092 642 H HIS 84 H HIS 84 -15.730 -13.575 1.652 643 HA HIS 84 HA HIS 84 -16.278 -11.104 0.406 644 HB2 HIS 84 HB2 HIS 84 -13.967 -11.835 0.820 645 HB3 HIS 84 HB3 HIS 84 -14.175 -13.211 -0.261 646 HD1 HIS 84 HD1 HIS 84 -14.602 -9.427 -0.594 647 HD2 HIS 84 HD2 HIS 84 -13.046 -12.672 -2.684 648 HE1 HIS 84 HE1 HIS 84 -13.678 -8.472 -2.719 649 HE2 HIS 84 HE2 HIS 84 -12.736 -10.447 -3.970 650 H LEU 85 H LEU 85 -16.323 -14.443 -0.908 651 HA LEU 85 HA LEU 85 -17.008 -13.725 -3.580 652 HB2 LEU 85 HB2 LEU 85 -17.500 -16.371 -2.157 653 HB3 LEU 85 HB3 LEU 85 -17.577 -16.117 -3.895 654 HG LEU 85 HG LEU 85 -15.090 -16.015 -2.147 655 HD11 LEU 85 HD11 LEU 85 -14.361 -17.964 -3.424 656 HD12 LEU 85 HD12 LEU 85 -15.862 -17.945 -4.353 657 HD13 LEU 85 HD13 LEU 85 -15.897 -18.277 -2.620 658 HD21 LEU 85 HD21 LEU 85 -13.785 -15.635 -4.193 659 HD22 LEU 85 HD22 LEU 85 -14.882 -14.296 -3.877 660 HD23 LEU 85 HD23 LEU 85 -15.274 -15.477 -5.130 661 H ALA 86 H ALA 86 -18.928 -14.709 -0.769 662 HA ALA 86 HA ALA 86 -21.409 -15.081 -2.104 663 HB1 ALA 86 HB1 ALA 86 -20.874 -16.185 0.029 664 HB2 ALA 86 HB2 ALA 86 -22.369 -15.255 0.160 665 HB3 ALA 86 HB3 ALA 86 -20.870 -14.623 0.850 666 H SER 87 H SER 87 -20.207 -12.434 -0.027 667 HA SER 87 HA SER 87 -22.510 -10.760 -0.359 668 HB2 SER 87 HB2 SER 87 -20.994 -10.639 1.633 669 HB3 SER 87 HB3 SER 87 -19.716 -9.996 0.608 670 HG SER 87 HG SER 87 -21.227 -8.237 0.134 671 H GLY 88 H GLY 88 -19.428 -11.120 -2.011 672 HA2 GLY 88 HA2 GLY 88 -19.877 -8.747 -3.716 673 HA3 GLY 88 HA3 GLY 88 -18.375 -9.642 -3.536 674 H GLY 89 H GLY 89 -21.670 -10.795 -4.244 675 HA2 GLY 89 HA2 GLY 89 -20.781 -12.344 -6.548 676 HA3 GLY 89 HA3 GLY 89 -22.405 -12.266 -5.876 677 H ASP 90 H ASP 90 -23.887 -10.937 -6.805 678 HA ASP 90 HA ASP 90 -23.045 -9.043 -8.924 679 HB2 ASP 90 HB2 ASP 90 -25.664 -10.616 -8.737 680 HB3 ASP 90 HB3 ASP 90 -25.239 -9.482 -10.016 Start of MODEL 9 1 H ARG 11 H ARG 11 16.884 -13.479 -2.152 2 HA ARG 11 HA ARG 11 17.764 -11.701 -3.498 3 HB2 ARG 11 HB2 ARG 11 17.051 -14.316 -4.842 4 HB3 ARG 11 HB3 ARG 11 18.032 -13.121 -5.680 5 HG2 ARG 11 HG2 ARG 11 18.752 -14.352 -2.995 6 HG3 ARG 11 HG3 ARG 11 19.353 -14.922 -4.558 7 HD2 ARG 11 HD2 ARG 11 19.821 -12.179 -3.324 8 HD3 ARG 11 HD3 ARG 11 21.006 -13.478 -3.479 9 HE ARG 11 HE ARG 11 20.717 -13.217 -5.964 10 HH11 ARG 11 HH11 ARG 11 20.187 -10.462 -3.828 11 HH12 ARG 11 HH12 ARG 11 20.517 -9.301 -5.069 12 HH21 ARG 11 HH21 ARG 11 21.156 -11.656 -7.565 13 HH22 ARG 11 HH22 ARG 11 21.074 -9.971 -7.175 14 HA PRO 12 HA PRO 12 14.808 -10.563 -7.037 15 HB2 PRO 12 HB2 PRO 12 12.726 -12.011 -7.873 16 HB3 PRO 12 HB3 PRO 12 14.375 -12.603 -8.126 17 HG2 PRO 12 HG2 PRO 12 12.368 -13.411 -6.028 18 HG3 PRO 12 HG3 PRO 12 13.458 -14.436 -6.988 19 HD2 PRO 12 HD2 PRO 12 13.971 -13.530 -4.378 20 HD3 PRO 12 HD3 PRO 12 15.193 -14.151 -5.504 21 H LEU 13 H LEU 13 13.595 -11.088 -3.974 22 HA LEU 13 HA LEU 13 11.861 -10.492 -2.667 23 HB2 LEU 13 HB2 LEU 13 11.963 -8.044 -4.471 24 HB3 LEU 13 HB3 LEU 13 10.922 -8.139 -3.068 25 HG LEU 13 HG LEU 13 12.851 -6.826 -2.495 26 HD11 LEU 13 HD11 LEU 13 13.113 -9.530 -1.167 27 HD12 LEU 13 HD12 LEU 13 11.999 -8.238 -0.713 28 HD13 LEU 13 HD13 LEU 13 13.736 -7.994 -0.553 29 HD21 LEU 13 HD21 LEU 13 14.625 -9.130 -3.361 30 HD22 LEU 13 HD22 LEU 13 15.168 -7.637 -2.586 31 HD23 LEU 13 HD23 LEU 13 14.435 -7.581 -4.187 32 HA PRO 14 HA PRO 14 8.941 -12.254 -5.923 33 HB2 PRO 14 HB2 PRO 14 7.999 -14.347 -4.366 34 HB3 PRO 14 HB3 PRO 14 9.429 -14.444 -5.401 35 HG2 PRO 14 HG2 PRO 14 9.254 -13.965 -2.435 36 HG3 PRO 14 HG3 PRO 14 10.388 -14.991 -3.340 37 HD2 PRO 14 HD2 PRO 14 11.099 -12.539 -2.424 38 HD3 PRO 14 HD3 PRO 14 11.740 -13.185 -3.951 39 H VAL 15 H VAL 15 7.436 -10.718 -6.005 40 HA VAL 15 HA VAL 15 5.991 -9.586 -3.899 41 HB VAL 15 HB VAL 15 6.292 -8.395 -5.994 42 HG11 VAL 15 HG11 VAL 15 6.248 -10.257 -7.599 43 HG12 VAL 15 HG12 VAL 15 5.131 -8.988 -8.103 44 HG13 VAL 15 HG13 VAL 15 4.510 -10.462 -7.353 45 HG21 VAL 15 HG21 VAL 15 4.332 -7.734 -4.652 46 HG22 VAL 15 HG22 VAL 15 3.320 -8.887 -5.530 47 HG23 VAL 15 HG23 VAL 15 4.020 -7.505 -6.375 48 H CYS 16 H CYS 16 5.151 -12.234 -6.088 49 HA CYS 16 HA CYS 16 3.575 -13.824 -6.175 50 HB2 CYS 16 HB2 CYS 16 2.898 -13.097 -3.292 51 HB3 CYS 16 HB3 CYS 16 2.409 -14.567 -4.132 52 HG CYS 16 HG CYS 16 5.618 -14.450 -4.438 53 HA PRO 17 HA PRO 17 -0.342 -11.751 -7.378 54 HB2 PRO 17 HB2 PRO 17 -1.533 -14.509 -7.145 55 HB3 PRO 17 HB3 PRO 17 -1.562 -13.381 -8.507 56 HG2 PRO 17 HG2 PRO 17 0.019 -15.548 -8.561 57 HG3 PRO 17 HG3 PRO 17 0.552 -14.002 -9.254 58 HD2 PRO 17 HD2 PRO 17 1.305 -15.252 -6.612 59 HD3 PRO 17 HD3 PRO 17 2.332 -14.400 -7.789 60 H ASN 18 H ASN 18 -0.916 -10.578 -5.638 61 HA ASN 18 HA ASN 18 -0.878 -11.182 -2.987 62 HB2 ASN 18 HB2 ASN 18 -0.989 -8.889 -3.891 63 HB3 ASN 18 HB3 ASN 18 -2.669 -9.126 -4.363 64 HD21 ASN 18 HD21 ASN 18 -3.504 -7.484 -3.100 65 HD22 ASN 18 HD22 ASN 18 -3.488 -7.504 -1.372 66 HA PRO 19 HA PRO 19 -4.750 -13.657 -2.676 67 HB2 PRO 19 HB2 PRO 19 -4.102 -15.012 -0.401 68 HB3 PRO 19 HB3 PRO 19 -3.486 -15.499 -1.989 69 HG2 PRO 19 HG2 PRO 19 -2.112 -13.911 0.174 70 HG3 PRO 19 HG3 PRO 19 -1.466 -15.221 -0.835 71 HD2 PRO 19 HD2 PRO 19 -1.005 -12.555 -1.358 72 HD3 PRO 19 HD3 PRO 19 -1.033 -13.804 -2.621 73 H LEU 20 H LEU 20 -6.496 -13.477 -1.158 74 HA LEU 20 HA LEU 20 -6.699 -11.023 0.270 75 HB2 LEU 20 HB2 LEU 20 -8.452 -13.509 0.276 76 HB3 LEU 20 HB3 LEU 20 -8.884 -12.005 1.080 77 HG LEU 20 HG LEU 20 -8.431 -12.291 -1.925 78 HD11 LEU 20 HD11 LEU 20 -10.864 -12.032 -2.156 79 HD12 LEU 20 HD12 LEU 20 -11.048 -12.086 -0.400 80 HD13 LEU 20 HD13 LEU 20 -10.439 -13.496 -1.271 81 HD21 LEU 20 HD21 LEU 20 -7.897 -10.038 -1.133 82 HD22 LEU 20 HD22 LEU 20 -9.457 -9.924 -0.312 83 HD23 LEU 20 HD23 LEU 20 -9.389 -10.020 -2.074 84 H PHE 21 H PHE 21 -5.686 -14.249 1.142 85 HA PHE 21 HA PHE 21 -6.160 -14.187 3.927 86 HB2 PHE 21 HB2 PHE 21 -4.175 -15.806 2.288 87 HB3 PHE 21 HB3 PHE 21 -4.466 -16.072 4.006 88 HD1 PHE 21 HD1 PHE 21 -7.630 -15.230 2.876 89 HD2 PHE 21 HD2 PHE 21 -4.745 -18.371 2.533 90 HE1 PHE 21 HE1 PHE 21 -9.418 -16.819 2.357 91 HE2 PHE 21 HE2 PHE 21 -6.553 -19.943 2.016 92 HZ PHE 21 HZ PHE 21 -8.887 -19.178 1.921 93 H VAL 22 H VAL 22 -3.298 -13.150 2.046 94 HA VAL 22 HA VAL 22 -1.529 -12.994 4.269 95 HB VAL 22 HB VAL 22 -0.676 -13.153 1.970 96 HG11 VAL 22 HG11 VAL 22 -2.313 -11.732 0.805 97 HG12 VAL 22 HG12 VAL 22 -0.661 -11.250 0.425 98 HG13 VAL 22 HG13 VAL 22 -1.620 -10.298 1.561 99 HG21 VAL 22 HG21 VAL 22 1.161 -11.517 2.131 100 HG22 VAL 22 HG22 VAL 22 0.821 -12.255 3.696 101 HG23 VAL 22 HG23 VAL 22 0.261 -10.617 3.357 102 H ARG 23 H ARG 23 -3.462 -10.482 2.602 103 HA ARG 23 HA ARG 23 -2.687 -8.325 4.287 104 HB2 ARG 23 HB2 ARG 23 -4.690 -7.131 3.350 105 HB3 ARG 23 HB3 ARG 23 -3.615 -7.780 2.122 106 HG2 ARG 23 HG2 ARG 23 -5.141 -9.461 1.479 107 HG3 ARG 23 HG3 ARG 23 -6.055 -9.347 2.982 108 HD2 ARG 23 HD2 ARG 23 -5.977 -7.189 0.845 109 HD3 ARG 23 HD3 ARG 23 -7.255 -8.399 1.018 110 HE ARG 23 HE ARG 23 -7.278 -7.339 3.455 111 HH11 ARG 23 HH11 ARG 23 -7.132 -5.629 0.376 112 HH12 ARG 23 HH12 ARG 23 -8.036 -4.272 0.964 113 HH21 ARG 23 HH21 ARG 23 -8.424 -5.583 4.196 114 HH22 ARG 23 HH22 ARG 23 -8.764 -4.241 3.152 115 H TRP 24 H TRP 24 -5.250 -10.745 4.454 116 HA TRP 24 HA TRP 24 -6.721 -9.599 6.597 117 HB2 TRP 24 HB2 TRP 24 -6.610 -12.421 5.478 118 HB3 TRP 24 HB3 TRP 24 -7.616 -12.016 6.864 119 HD1 TRP 24 HD1 TRP 24 -8.117 -9.004 5.116 120 HE1 TRP 24 HE1 TRP 24 -10.080 -9.080 3.478 121 HE3 TRP 24 HE3 TRP 24 -8.705 -14.085 4.745 122 HZ2 TRP 24 HZ2 TRP 24 -11.682 -10.983 2.202 123 HZ3 TRP 24 HZ3 TRP 24 -10.490 -14.944 3.291 124 HH2 TRP 24 HH2 TRP 24 -11.948 -13.425 2.046 125 H LEU 25 H LEU 25 -4.069 -11.997 6.535 126 HA LEU 25 HA LEU 25 -4.050 -12.561 9.310 127 HB2 LEU 25 HB2 LEU 25 -1.835 -12.768 7.241 128 HB3 LEU 25 HB3 LEU 25 -1.659 -13.336 8.900 129 HG LEU 25 HG LEU 25 -3.672 -14.404 6.874 130 HD11 LEU 25 HD11 LEU 25 -1.408 -15.088 6.298 131 HD12 LEU 25 HD12 LEU 25 -2.339 -16.461 6.892 132 HD13 LEU 25 HD13 LEU 25 -1.143 -15.689 7.939 133 HD21 LEU 25 HD21 LEU 25 -3.106 -15.313 9.714 134 HD22 LEU 25 HD22 LEU 25 -4.157 -16.141 8.560 135 HD23 LEU 25 HD23 LEU 25 -4.579 -14.530 9.131 136 H THR 26 H THR 26 -2.615 -9.984 7.392 137 HA THR 26 HA THR 26 -0.932 -8.918 9.457 138 HB THR 26 HB THR 26 -1.991 -7.499 6.972 139 HG1 THR 26 HG1 THR 26 -0.767 -9.515 6.633 140 HG21 THR 26 HG21 THR 26 0.449 -6.925 8.703 141 HG22 THR 26 HG22 THR 26 -1.015 -5.939 8.622 142 HG23 THR 26 HG23 THR 26 0.029 -6.082 7.207 143 H GLU 27 H GLU 27 -4.158 -7.972 8.152 144 HA GLU 27 HA GLU 27 -4.388 -5.654 9.835 145 HB2 GLU 27 HB2 GLU 27 -6.621 -5.350 8.862 146 HB3 GLU 27 HB3 GLU 27 -5.440 -5.701 7.605 147 HG2 GLU 27 HG2 GLU 27 -6.234 -8.078 7.600 148 HG3 GLU 27 HG3 GLU 27 -7.487 -7.624 8.752 149 H TRP 28 H TRP 28 -5.584 -8.974 10.034 150 HA TRP 28 HA TRP 28 -7.319 -8.532 12.286 151 HB2 TRP 28 HB2 TRP 28 -6.179 -11.155 11.238 152 HB3 TRP 28 HB3 TRP 28 -7.448 -11.007 12.448 153 HD1 TRP 28 HD1 TRP 28 -8.654 -8.528 10.197 154 HE1 TRP 28 HE1 TRP 28 -10.193 -9.491 8.382 155 HE3 TRP 28 HE3 TRP 28 -7.452 -13.470 10.659 156 HZ2 TRP 28 HZ2 TRP 28 -10.831 -12.010 7.296 157 HZ3 TRP 28 HZ3 TRP 28 -8.575 -15.096 9.205 158 HH2 TRP 28 HH2 TRP 28 -10.232 -14.386 7.557 159 H ARG 29 H ARG 29 -3.942 -9.527 11.803 160 HA ARG 29 HA ARG 29 -3.287 -10.041 14.533 161 HB2 ARG 29 HB2 ARG 29 -1.846 -10.724 12.654 162 HB3 ARG 29 HB3 ARG 29 -1.548 -9.041 12.240 163 HG2 ARG 29 HG2 ARG 29 -0.418 -8.765 14.472 164 HG3 ARG 29 HG3 ARG 29 -0.614 -10.503 14.734 165 HD2 ARG 29 HD2 ARG 29 1.644 -9.897 13.871 166 HD3 ARG 29 HD3 ARG 29 0.774 -10.993 12.799 167 HE ARG 29 HE ARG 29 0.746 -9.384 11.181 168 HH11 ARG 29 HH11 ARG 29 1.663 -7.789 14.183 169 HH12 ARG 29 HH12 ARG 29 2.093 -6.304 13.406 170 HH21 ARG 29 HH21 ARG 29 1.300 -7.417 10.184 171 HH22 ARG 29 HH22 ARG 29 1.886 -6.097 11.139 172 H ASP 30 H ASP 30 -3.417 -7.124 12.578 173 HA ASP 30 HA ASP 30 -2.293 -5.289 14.459 174 HB2 ASP 30 HB2 ASP 30 -2.349 -4.748 12.075 175 HB3 ASP 30 HB3 ASP 30 -4.101 -4.903 12.036 176 H GLU 31 H GLU 31 -5.624 -6.346 13.723 177 HA GLU 31 HA GLU 31 -6.961 -4.826 15.740 178 HB2 GLU 31 HB2 GLU 31 -7.758 -7.456 14.413 179 HB3 GLU 31 HB3 GLU 31 -8.813 -6.514 15.468 180 HG2 GLU 31 HG2 GLU 31 -8.679 -4.628 13.851 181 HG3 GLU 31 HG3 GLU 31 -7.709 -5.641 12.782 182 H ALA 32 H ALA 32 -5.353 -7.946 15.681 183 HA ALA 32 HA ALA 32 -6.119 -8.799 18.306 184 HB1 ALA 32 HB1 ALA 32 -4.522 -10.629 17.954 185 HB2 ALA 32 HB2 ALA 32 -3.886 -9.815 16.518 186 HB3 ALA 32 HB3 ALA 32 -5.549 -10.407 16.535 187 H ALA 33 H ALA 33 -3.659 -6.724 17.046 188 HA ALA 33 HA ALA 33 -1.947 -6.760 19.378 189 HB1 ALA 33 HB1 ALA 33 -2.097 -4.807 17.052 190 HB2 ALA 33 HB2 ALA 33 -1.043 -6.219 17.163 191 HB3 ALA 33 HB3 ALA 33 -0.815 -4.867 18.272 192 H SER 34 H SER 34 -4.357 -4.528 17.983 193 HA SER 34 HA SER 34 -4.178 -2.545 20.018 194 HB2 SER 34 HB2 SER 34 -6.242 -1.621 18.888 195 HB3 SER 34 HB3 SER 34 -4.902 -1.949 17.786 196 HG SER 34 HG SER 34 -6.197 -3.216 16.749 197 H ARG 35 H ARG 35 -6.668 -5.042 19.370 198 HA ARG 35 HA ARG 35 -8.181 -4.564 21.757 199 HB2 ARG 35 HB2 ARG 35 -8.150 -7.081 20.033 200 HB3 ARG 35 HB3 ARG 35 -9.362 -6.675 21.242 201 HG2 ARG 35 HG2 ARG 35 -8.875 -5.178 18.641 202 HG3 ARG 35 HG3 ARG 35 -10.174 -6.330 18.944 203 HD2 ARG 35 HD2 ARG 35 -11.217 -4.239 19.179 204 HD3 ARG 35 HD3 ARG 35 -10.897 -4.720 20.842 205 HE ARG 35 HE ARG 35 -9.442 -2.964 21.060 206 HH11 ARG 35 HH11 ARG 35 -10.147 -3.328 17.614 207 HH12 ARG 35 HH12 ARG 35 -9.378 -1.834 17.185 208 HH21 ARG 35 HH21 ARG 35 -8.484 -0.982 20.458 209 HH22 ARG 35 HH22 ARG 35 -8.455 -0.511 18.786 210 H GLY 36 H GLY 36 -5.370 -6.505 21.018 211 HA2 GLY 36 HA2 GLY 36 -3.877 -7.531 22.458 212 HA3 GLY 36 HA3 GLY 36 -4.955 -7.202 23.807 213 H ARG 37 H ARG 37 -5.754 -8.875 20.818 214 HA ARG 37 HA ARG 37 -6.757 -11.230 22.141 215 HB2 ARG 37 HB2 ARG 37 -6.298 -10.634 19.187 216 HB3 ARG 37 HB3 ARG 37 -7.133 -12.058 19.790 217 HG2 ARG 37 HG2 ARG 37 -9.032 -10.849 20.424 218 HG3 ARG 37 HG3 ARG 37 -8.152 -9.323 20.538 219 HD2 ARG 37 HD2 ARG 37 -9.714 -9.456 18.579 220 HD3 ARG 37 HD3 ARG 37 -8.041 -9.104 18.148 221 HE ARG 37 HE ARG 37 -8.545 -11.900 17.966 222 HH11 ARG 37 HH11 ARG 37 -9.226 -8.896 16.274 223 HH12 ARG 37 HH12 ARG 37 -9.361 -9.664 14.732 224 HH21 ARG 37 HH21 ARG 37 -8.741 -12.884 15.916 225 HH22 ARG 37 HH22 ARG 37 -9.097 -11.909 14.527 226 H HIS 38 H HIS 38 -5.841 -13.281 22.168 227 HA HIS 38 HA HIS 38 -2.963 -13.446 22.154 228 HB2 HIS 38 HB2 HIS 38 -4.991 -15.696 22.516 229 HB3 HIS 38 HB3 HIS 38 -3.282 -15.763 22.937 230 HD1 HIS 38 HD1 HIS 38 -5.340 -16.395 25.065 231 HD2 HIS 38 HD2 HIS 38 -3.879 -12.548 24.439 232 HE1 HIS 38 HE1 HIS 38 -5.722 -15.167 27.229 233 HE2 HIS 38 HE2 HIS 38 -4.732 -12.883 26.863 234 H THR 39 H THR 39 -5.363 -13.892 19.775 235 HA THR 39 HA THR 39 -4.057 -15.821 18.121 236 HB THR 39 HB THR 39 -5.652 -14.915 16.326 237 HG1 THR 39 HG1 THR 39 -7.205 -13.671 18.245 238 HG21 THR 39 HG21 THR 39 -6.889 -15.869 18.936 239 HG22 THR 39 HG22 THR 39 -6.223 -16.907 17.672 240 HG23 THR 39 HG23 THR 39 -7.654 -15.927 17.346 241 H ARG 40 H ARG 40 -3.243 -12.577 18.764 242 HA ARG 40 HA ARG 40 -2.227 -11.600 16.346 243 HB2 ARG 40 HB2 ARG 40 -2.275 -10.271 18.436 244 HB3 ARG 40 HB3 ARG 40 -1.042 -11.312 19.147 245 HG2 ARG 40 HG2 ARG 40 0.585 -10.550 17.439 246 HG3 ARG 40 HG3 ARG 40 -0.649 -9.504 16.727 247 HD2 ARG 40 HD2 ARG 40 0.910 -8.257 18.178 248 HD3 ARG 40 HD3 ARG 40 -0.749 -8.181 18.783 249 HE ARG 40 HE ARG 40 1.257 -10.071 19.884 250 HH11 ARG 40 HH11 ARG 40 -1.169 -7.595 20.429 251 HH12 ARG 40 HH12 ARG 40 -1.073 -7.706 22.151 252 HH21 ARG 40 HH21 ARG 40 1.382 -10.212 22.125 253 HH22 ARG 40 HH22 ARG 40 0.392 -9.197 23.120 254 H PHE 41 H PHE 41 -0.975 -13.977 18.544 255 HA PHE 41 HA PHE 41 1.693 -14.204 17.563 256 HB2 PHE 41 HB2 PHE 41 0.039 -16.129 19.264 257 HB3 PHE 41 HB3 PHE 41 1.780 -16.228 19.024 258 HD1 PHE 41 HD1 PHE 41 -0.820 -13.790 20.285 259 HD2 PHE 41 HD2 PHE 41 3.163 -15.292 20.684 260 HE1 PHE 41 HE1 PHE 41 -0.484 -12.387 22.272 261 HE2 PHE 41 HE2 PHE 41 3.483 -13.887 22.674 262 HZ PHE 41 HZ PHE 41 1.664 -12.440 23.468 263 H VAL 42 H VAL 42 -1.343 -16.039 17.023 264 HA VAL 42 HA VAL 42 -0.074 -18.011 15.347 265 HB VAL 42 HB VAL 42 -2.098 -18.529 16.784 266 HG11 VAL 42 HG11 VAL 42 -3.505 -16.585 16.264 267 HG12 VAL 42 HG12 VAL 42 -4.354 -18.093 15.926 268 HG13 VAL 42 HG13 VAL 42 -3.678 -17.142 14.600 269 HG21 VAL 42 HG21 VAL 42 -3.070 -20.142 15.180 270 HG22 VAL 42 HG22 VAL 42 -1.311 -20.086 15.039 271 HG23 VAL 42 HG23 VAL 42 -2.316 -19.268 13.841 272 H PHE 43 H PHE 43 -1.894 -15.039 14.788 273 HA PHE 43 HA PHE 43 -2.095 -15.238 11.944 274 HB2 PHE 43 HB2 PHE 43 -2.097 -12.787 13.763 275 HB3 PHE 43 HB3 PHE 43 -2.373 -12.704 12.028 276 HD1 PHE 43 HD1 PHE 43 -4.200 -15.086 11.674 277 HD2 PHE 43 HD2 PHE 43 -4.156 -12.001 14.633 278 HE1 PHE 43 HE1 PHE 43 -6.615 -15.372 12.023 279 HE2 PHE 43 HE2 PHE 43 -6.575 -12.291 14.966 280 HZ PHE 43 HZ PHE 43 -7.805 -13.980 13.664 281 H GLN 44 H GLN 44 0.399 -14.097 14.185 282 HA GLN 44 HA GLN 44 2.071 -12.747 12.317 283 HB2 GLN 44 HB2 GLN 44 2.188 -12.401 14.791 284 HB3 GLN 44 HB3 GLN 44 2.816 -14.033 14.984 285 HG2 GLN 44 HG2 GLN 44 4.813 -13.387 13.636 286 HG3 GLN 44 HG3 GLN 44 4.194 -11.743 13.539 287 HE21 GLN 44 HE21 GLN 44 4.126 -10.479 15.476 288 HE22 GLN 44 HE22 GLN 44 5.151 -10.860 16.814 289 H LYS 45 H LYS 45 2.215 -16.022 13.736 290 HA LYS 45 HA LYS 45 4.550 -16.822 12.286 291 HB2 LYS 45 HB2 LYS 45 4.192 -19.031 13.234 292 HB3 LYS 45 HB3 LYS 45 3.921 -17.803 14.466 293 HG2 LYS 45 HG2 LYS 45 1.404 -18.072 13.908 294 HG3 LYS 45 HG3 LYS 45 1.880 -19.551 13.066 295 HD2 LYS 45 HD2 LYS 45 2.329 -18.922 16.018 296 HD3 LYS 45 HD3 LYS 45 1.122 -20.032 15.365 297 HE2 LYS 45 HE2 LYS 45 2.890 -21.528 14.570 298 HE3 LYS 45 HE3 LYS 45 4.131 -20.389 15.094 299 HZ1 LYS 45 HZ1 LYS 45 3.841 -22.181 16.669 300 HZ2 LYS 45 HZ2 LYS 45 2.210 -21.783 16.874 301 HZ3 LYS 45 HZ3 LYS 45 3.416 -20.703 17.372 302 H ALA 46 H ALA 46 1.085 -17.062 11.676 303 HA ALA 46 HA ALA 46 1.239 -18.807 9.406 304 HB1 ALA 46 HB1 ALA 46 -0.942 -16.843 10.206 305 HB2 ALA 46 HB2 ALA 46 -0.846 -18.536 10.693 306 HB3 ALA 46 HB3 ALA 46 -1.100 -18.126 8.995 307 H LEU 47 H LEU 47 1.319 -15.287 9.892 308 HA LEU 47 HA LEU 47 1.064 -14.504 7.167 309 HB2 LEU 47 HB2 LEU 47 0.602 -12.939 9.011 310 HB3 LEU 47 HB3 LEU 47 2.279 -13.010 9.526 311 HG LEU 47 HG LEU 47 2.982 -11.906 7.398 312 HD11 LEU 47 HD11 LEU 47 0.009 -11.667 6.809 313 HD12 LEU 47 HD12 LEU 47 1.176 -12.660 5.926 314 HD13 LEU 47 HD13 LEU 47 1.320 -10.906 5.900 315 HD21 LEU 47 HD21 LEU 47 0.874 -10.355 8.953 316 HD22 LEU 47 HD22 LEU 47 2.107 -9.653 7.901 317 HD23 LEU 47 HD23 LEU 47 2.586 -10.505 9.363 318 H ARG 48 H ARG 48 3.905 -14.835 9.303 319 HA ARG 48 HA ARG 48 5.859 -14.040 7.422 320 HB2 ARG 48 HB2 ARG 48 5.920 -15.388 10.104 321 HB3 ARG 48 HB3 ARG 48 7.359 -15.556 9.120 322 HG2 ARG 48 HG2 ARG 48 7.647 -13.704 10.607 323 HG3 ARG 48 HG3 ARG 48 7.546 -13.104 8.953 324 HD2 ARG 48 HD2 ARG 48 5.136 -12.531 9.389 325 HD3 ARG 48 HD3 ARG 48 5.379 -12.989 11.078 326 HE ARG 48 HE ARG 48 6.294 -10.592 9.738 327 HH11 ARG 48 HH11 ARG 48 6.814 -12.621 12.579 328 HH12 ARG 48 HH12 ARG 48 7.496 -11.325 13.511 329 HH21 ARG 48 HH21 ARG 48 7.163 -8.925 10.974 330 HH22 ARG 48 HH22 ARG 48 7.681 -9.227 12.601 331 H SER 49 H SER 49 4.713 -17.276 8.378 332 HA SER 49 HA SER 49 6.372 -18.788 6.677 333 HB2 SER 49 HB2 SER 49 4.656 -20.599 6.868 334 HB3 SER 49 HB3 SER 49 5.083 -19.895 8.424 335 HG SER 49 HG SER 49 2.802 -19.103 6.925 336 H LEU 50 H LEU 50 3.236 -17.213 6.055 337 HA LEU 50 HA LEU 50 2.822 -18.183 3.397 338 HB2 LEU 50 HB2 LEU 50 1.121 -17.156 5.059 339 HB3 LEU 50 HB3 LEU 50 1.708 -15.588 4.553 340 HG LEU 50 HG LEU 50 0.457 -17.585 2.604 341 HD11 LEU 50 HD11 LEU 50 -0.983 -15.369 4.109 342 HD12 LEU 50 HD12 LEU 50 -1.206 -17.105 4.340 343 HD13 LEU 50 HD13 LEU 50 -1.667 -16.358 2.814 344 HD21 LEU 50 HD21 LEU 50 0.837 -14.576 2.367 345 HD22 LEU 50 HD22 LEU 50 0.018 -15.608 1.189 346 HD23 LEU 50 HD23 LEU 50 1.742 -15.812 1.492 347 H GLN 51 H GLN 51 4.551 -15.429 4.756 348 HA GLN 51 HA GLN 51 4.909 -13.920 2.364 349 HB2 GLN 51 HB2 GLN 51 6.297 -13.881 5.068 350 HB3 GLN 51 HB3 GLN 51 6.817 -12.822 3.757 351 HG2 GLN 51 HG2 GLN 51 4.012 -12.866 4.929 352 HG3 GLN 51 HG3 GLN 51 5.284 -11.731 5.385 353 HE21 GLN 51 HE21 GLN 51 3.167 -12.763 2.775 354 HE22 GLN 51 HE22 GLN 51 3.256 -11.304 1.858 355 H ARG 52 H ARG 52 6.819 -16.469 3.922 356 HA ARG 52 HA ARG 52 8.871 -16.301 1.819 357 HB2 ARG 52 HB2 ARG 52 10.172 -17.873 3.150 358 HB3 ARG 52 HB3 ARG 52 9.652 -16.524 4.155 359 HG2 ARG 52 HG2 ARG 52 7.924 -17.921 5.189 360 HG3 ARG 52 HG3 ARG 52 8.340 -19.265 4.122 361 HD2 ARG 52 HD2 ARG 52 10.652 -19.257 5.113 362 HD3 ARG 52 HD3 ARG 52 10.106 -18.032 6.263 363 HE ARG 52 HE ARG 52 8.519 -19.668 7.145 364 HH11 ARG 52 HH11 ARG 52 11.199 -20.927 5.250 365 HH12 ARG 52 HH12 ARG 52 11.076 -22.522 5.915 366 HH21 ARG 52 HH21 ARG 52 8.384 -21.772 8.024 367 HH22 ARG 52 HH22 ARG 52 9.499 -22.997 7.510 368 H TYR 53 H TYR 53 5.939 -17.883 2.317 369 HA TYR 53 HA TYR 53 6.578 -20.253 0.696 370 HB2 TYR 53 HB2 TYR 53 5.008 -20.220 2.764 371 HB3 TYR 53 HB3 TYR 53 3.843 -19.390 1.745 372 HD1 TYR 53 HD1 TYR 53 6.051 -22.437 1.533 373 HD2 TYR 53 HD2 TYR 53 2.151 -20.810 0.899 374 HE1 TYR 53 HE1 TYR 53 5.241 -24.649 0.840 375 HE2 TYR 53 HE2 TYR 53 1.344 -23.026 0.213 376 HH TYR 53 HH TYR 53 2.244 -25.120 -0.685 377 HA PRO 54 HA PRO 54 5.739 -17.249 -2.648 378 HB2 PRO 54 HB2 PRO 54 6.689 -19.287 -4.573 379 HB3 PRO 54 HB3 PRO 54 7.435 -17.752 -4.115 380 HG2 PRO 54 HG2 PRO 54 8.499 -20.147 -3.400 381 HG3 PRO 54 HG3 PRO 54 8.651 -18.700 -2.379 382 HD2 PRO 54 HD2 PRO 54 6.697 -21.001 -2.127 383 HD3 PRO 54 HD3 PRO 54 7.682 -20.215 -0.866 384 H LEU 55 H LEU 55 4.045 -20.061 -2.063 385 HA LEU 55 HA LEU 55 2.457 -20.161 -4.478 386 HB2 LEU 55 HB2 LEU 55 2.261 -21.643 -1.835 387 HB3 LEU 55 HB3 LEU 55 1.066 -21.821 -3.103 388 HG LEU 55 HG LEU 55 2.911 -22.622 -4.641 389 HD11 LEU 55 HD11 LEU 55 4.851 -21.692 -3.497 390 HD12 LEU 55 HD12 LEU 55 5.008 -23.438 -3.691 391 HD13 LEU 55 HD13 LEU 55 4.575 -22.762 -2.116 392 HD21 LEU 55 HD21 LEU 55 2.980 -24.900 -3.724 393 HD22 LEU 55 HD22 LEU 55 1.367 -24.201 -3.608 394 HD23 LEU 55 HD23 LEU 55 2.390 -24.302 -2.170 395 HA PRO 56 HA PRO 56 -0.365 -16.950 -2.939 396 HB2 PRO 56 HB2 PRO 56 -2.034 -17.449 -5.320 397 HB3 PRO 56 HB3 PRO 56 -1.027 -16.046 -4.954 398 HG2 PRO 56 HG2 PRO 56 -0.418 -17.832 -6.936 399 HG3 PRO 56 HG3 PRO 56 0.810 -16.903 -6.058 400 HD2 PRO 56 HD2 PRO 56 -0.036 -19.770 -5.653 401 HD3 PRO 56 HD3 PRO 56 1.591 -19.050 -5.670 402 H LEU 57 H LEU 57 -1.279 -17.964 -1.158 403 HA LEU 57 HA LEU 57 -3.009 -20.253 -1.324 404 HB2 LEU 57 HB2 LEU 57 -2.530 -18.399 1.051 405 HB3 LEU 57 HB3 LEU 57 -3.243 -20.008 1.112 406 HG LEU 57 HG LEU 57 -0.351 -19.325 0.421 407 HD11 LEU 57 HD11 LEU 57 -1.496 -20.842 2.788 408 HD12 LEU 57 HD12 LEU 57 -0.811 -19.215 2.816 409 HD13 LEU 57 HD13 LEU 57 0.219 -20.592 2.443 410 HD21 LEU 57 HD21 LEU 57 0.052 -21.749 0.228 411 HD22 LEU 57 HD22 LEU 57 -1.070 -21.178 -1.000 412 HD23 LEU 57 HD23 LEU 57 -1.678 -22.060 0.404 413 H ARG 58 H ARG 58 -4.824 -19.863 -2.481 414 HA ARG 58 HA ARG 58 -6.498 -17.487 -1.958 415 HB2 ARG 58 HB2 ARG 58 -6.711 -19.555 -4.198 416 HB3 ARG 58 HB3 ARG 58 -7.595 -18.030 -4.087 417 HG2 ARG 58 HG2 ARG 58 -5.476 -16.775 -4.321 418 HG3 ARG 58 HG3 ARG 58 -4.578 -18.294 -4.389 419 HD2 ARG 58 HD2 ARG 58 -5.918 -18.873 -6.468 420 HD3 ARG 58 HD3 ARG 58 -6.563 -17.226 -6.422 421 HE ARG 58 HE ARG 58 -3.659 -17.801 -6.633 422 HH11 ARG 58 HH11 ARG 58 -6.469 -16.010 -7.769 423 HH12 ARG 58 HH12 ARG 58 -5.563 -15.109 -8.938 424 HH21 ARG 58 HH21 ARG 58 -2.510 -16.661 -8.200 425 HH22 ARG 58 HH22 ARG 58 -3.317 -15.489 -9.192 426 H SER 59 H SER 59 -6.370 -20.898 -1.394 427 HA SER 59 HA SER 59 -9.154 -20.936 -0.368 428 HB2 SER 59 HB2 SER 59 -8.894 -22.445 -2.319 429 HB3 SER 59 HB3 SER 59 -7.547 -23.261 -1.525 430 HG SER 59 HG SER 59 -10.259 -23.191 -0.682 431 H GLY 60 H GLY 60 -9.464 -21.774 1.692 432 HA2 GLY 60 HA2 GLY 60 -7.391 -21.701 3.612 433 HA3 GLY 60 HA3 GLY 60 -8.995 -22.391 3.859 434 H LYS 61 H LYS 61 -8.544 -24.255 1.576 435 HA LYS 61 HA LYS 61 -7.453 -26.545 2.797 436 HB2 LYS 61 HB2 LYS 61 -9.090 -26.595 0.944 437 HB3 LYS 61 HB3 LYS 61 -7.910 -25.872 -0.143 438 HG2 LYS 61 HG2 LYS 61 -6.507 -27.905 0.042 439 HG3 LYS 61 HG3 LYS 61 -7.707 -28.628 1.122 440 HD2 LYS 61 HD2 LYS 61 -8.220 -27.798 -1.774 441 HD3 LYS 61 HD3 LYS 61 -7.901 -29.449 -1.230 442 HE2 LYS 61 HE2 LYS 61 -10.272 -27.748 -0.359 443 HE3 LYS 61 HE3 LYS 61 -10.324 -29.018 -1.581 444 HZ1 LYS 61 HZ1 LYS 61 -9.593 -29.436 1.264 445 HZ2 LYS 61 HZ2 LYS 61 -9.739 -30.634 0.079 446 HZ3 LYS 61 HZ3 LYS 61 -11.104 -29.775 0.585 447 H GLU 62 H GLU 62 -6.078 -24.164 0.544 448 HA GLU 62 HA GLU 62 -3.523 -25.435 0.206 449 HB2 GLU 62 HB2 GLU 62 -4.248 -22.515 -0.280 450 HB3 GLU 62 HB3 GLU 62 -2.866 -23.395 -0.943 451 HG2 GLU 62 HG2 GLU 62 -4.419 -24.824 -2.234 452 HG3 GLU 62 HG3 GLU 62 -5.787 -23.924 -1.582 453 H ALA 63 H ALA 63 -4.875 -23.147 2.463 454 HA ALA 63 HA ALA 63 -2.397 -22.316 3.695 455 HB1 ALA 63 HB1 ALA 63 -3.881 -21.269 5.378 456 HB2 ALA 63 HB2 ALA 63 -5.274 -22.091 4.669 457 HB3 ALA 63 HB3 ALA 63 -4.395 -20.875 3.737 458 H LYS 64 H LYS 64 -4.674 -24.920 4.092 459 HA LYS 64 HA LYS 64 -4.288 -25.681 6.772 460 HB2 LYS 64 HB2 LYS 64 -6.224 -26.452 5.589 461 HB3 LYS 64 HB3 LYS 64 -5.257 -27.160 4.310 462 HG2 LYS 64 HG2 LYS 64 -6.273 -28.892 5.677 463 HG3 LYS 64 HG3 LYS 64 -4.514 -28.948 5.820 464 HD2 LYS 64 HD2 LYS 64 -4.671 -27.782 8.014 465 HD3 LYS 64 HD3 LYS 64 -6.434 -27.738 7.853 466 HE2 LYS 64 HE2 LYS 64 -4.763 -30.279 7.949 467 HE3 LYS 64 HE3 LYS 64 -5.645 -29.590 9.311 468 HZ1 LYS 64 HZ1 LYS 64 -6.888 -31.373 8.232 469 HZ2 LYS 64 HZ2 LYS 64 -6.885 -30.517 6.774 470 HZ3 LYS 64 HZ3 LYS 64 -7.710 -29.898 8.118 471 H ILE 65 H ILE 65 -2.413 -26.470 3.884 472 HA ILE 65 HA ILE 65 -1.066 -28.759 4.956 473 HB ILE 65 HB ILE 65 0.390 -28.655 2.968 474 HG12 ILE 65 HG12 ILE 65 -0.972 -25.973 2.446 475 HG13 ILE 65 HG13 ILE 65 0.740 -26.237 2.749 476 HG21 ILE 65 HG21 ILE 65 -1.356 -28.956 1.262 477 HG22 ILE 65 HG22 ILE 65 -2.522 -28.101 2.272 478 HG23 ILE 65 HG23 ILE 65 -1.879 -29.663 2.796 479 HD11 ILE 65 HD11 ILE 65 -0.821 -27.058 0.307 480 HD12 ILE 65 HD12 ILE 65 0.872 -27.469 0.595 481 HD13 ILE 65 HD13 ILE 65 0.388 -25.781 0.428 482 H LEU 66 H LEU 66 -0.643 -25.446 5.578 483 HA LEU 66 HA LEU 66 2.070 -25.861 6.683 484 HB2 LEU 66 HB2 LEU 66 0.536 -23.238 6.455 485 HB3 LEU 66 HB3 LEU 66 2.204 -23.444 6.961 486 HG LEU 66 HG LEU 66 2.461 -24.471 4.490 487 HD11 LEU 66 HD11 LEU 66 1.071 -23.344 2.833 488 HD12 LEU 66 HD12 LEU 66 0.126 -22.572 4.108 489 HD13 LEU 66 HD13 LEU 66 0.074 -24.326 3.908 490 HD21 LEU 66 HD21 LEU 66 3.715 -22.546 5.339 491 HD22 LEU 66 HD22 LEU 66 2.344 -21.485 5.007 492 HD23 LEU 66 HD23 LEU 66 3.188 -22.287 3.677 493 H GLN 67 H GLN 67 2.287 -26.180 8.810 494 HA GLN 67 HA GLN 67 -0.031 -26.456 10.494 495 HB2 GLN 67 HB2 GLN 67 2.919 -27.062 10.872 496 HB3 GLN 67 HB3 GLN 67 1.791 -27.203 12.208 497 HG2 GLN 67 HG2 GLN 67 2.204 -29.375 11.178 498 HG3 GLN 67 HG3 GLN 67 0.514 -28.907 11.007 499 HE21 GLN 67 HE21 GLN 67 3.503 -29.561 9.327 500 HE22 GLN 67 HE22 GLN 67 2.839 -29.558 7.730 501 H HIS 68 H HIS 68 2.156 -23.874 9.936 502 HA HIS 68 HA HIS 68 2.025 -22.479 12.418 503 HB2 HIS 68 HB2 HIS 68 2.265 -21.397 9.573 504 HB3 HIS 68 HB3 HIS 68 2.475 -20.419 11.027 505 HD1 HIS 68 HD1 HIS 68 4.239 -22.843 8.844 506 HD2 HIS 68 HD2 HIS 68 4.823 -21.013 12.529 507 HE1 HIS 68 HE1 HIS 68 6.635 -23.301 9.445 508 HE2 HIS 68 HE2 HIS 68 6.922 -22.309 11.751 509 H PHE 69 H PHE 69 -0.152 -22.776 9.707 510 HA PHE 69 HA PHE 69 -2.202 -21.049 10.765 511 HB2 PHE 69 HB2 PHE 69 -2.294 -23.060 8.463 512 HB3 PHE 69 HB3 PHE 69 -3.540 -21.880 8.842 513 HD1 PHE 69 HD1 PHE 69 0.159 -21.930 8.069 514 HD2 PHE 69 HD2 PHE 69 -3.585 -19.957 7.481 515 HE1 PHE 69 HE1 PHE 69 1.215 -20.376 6.479 516 HE2 PHE 69 HE2 PHE 69 -2.517 -18.410 5.901 517 HZ PHE 69 HZ PHE 69 -0.123 -18.619 5.396 518 H GLY 70 H GLY 70 -2.364 -24.517 9.785 519 HA2 GLY 70 HA2 GLY 70 -3.206 -26.375 10.907 520 HA3 GLY 70 HA3 GLY 70 -3.500 -25.389 12.328 521 H ASP 71 H ASP 71 -5.462 -27.107 11.863 522 HA ASP 71 HA ASP 71 -7.456 -26.633 9.982 523 HB2 ASP 71 HB2 ASP 71 -7.645 -27.697 12.826 524 HB3 ASP 71 HB3 ASP 71 -9.061 -27.590 11.797 525 H ARG 72 H ARG 72 -7.058 -25.121 13.164 526 HA ARG 72 HA ARG 72 -9.547 -23.792 13.342 527 HB2 ARG 72 HB2 ARG 72 -6.874 -23.153 14.656 528 HB3 ARG 72 HB3 ARG 72 -8.415 -22.449 15.147 529 HG2 ARG 72 HG2 ARG 72 -7.760 -25.426 15.234 530 HG3 ARG 72 HG3 ARG 72 -7.658 -24.326 16.616 531 HD2 ARG 72 HD2 ARG 72 -10.192 -24.918 15.038 532 HD3 ARG 72 HD3 ARG 72 -9.774 -25.645 16.595 533 HE ARG 72 HE ARG 72 -9.656 -22.925 17.026 534 HH11 ARG 72 HH11 ARG 72 -12.192 -25.086 15.896 535 HH12 ARG 72 HH12 ARG 72 -13.465 -24.127 16.565 536 HH21 ARG 72 HH21 ARG 72 -11.339 -21.692 17.896 537 HH22 ARG 72 HH22 ARG 72 -12.984 -22.208 17.710 538 H LEU 73 H LEU 73 -6.353 -22.565 12.384 539 HA LEU 73 HA LEU 73 -7.139 -19.850 11.973 540 HB2 LEU 73 HB2 LEU 73 -4.829 -20.859 12.558 541 HB3 LEU 73 HB3 LEU 73 -4.683 -21.265 10.867 542 HG LEU 73 HG LEU 73 -3.378 -19.267 11.522 543 HD11 LEU 73 HD11 LEU 73 -4.007 -17.760 9.717 544 HD12 LEU 73 HD12 LEU 73 -5.554 -18.599 9.539 545 HD13 LEU 73 HD13 LEU 73 -4.045 -19.448 9.207 546 HD21 LEU 73 HD21 LEU 73 -6.035 -17.946 12.071 547 HD22 LEU 73 HD22 LEU 73 -4.445 -17.172 12.097 548 HD23 LEU 73 HD23 LEU 73 -4.831 -18.426 13.272 549 H CYS 74 H CYS 74 -6.486 -22.598 9.806 550 HA CYS 74 HA CYS 74 -6.880 -21.278 7.334 551 HB2 CYS 74 HB2 CYS 74 -7.192 -24.227 7.997 552 HB3 CYS 74 HB3 CYS 74 -7.009 -23.544 6.373 553 HG CYS 74 HG CYS 74 -4.691 -24.627 8.240 554 H ARG 75 H ARG 75 -9.112 -22.830 9.567 555 HA ARG 75 HA ARG 75 -11.392 -22.906 7.862 556 HB2 ARG 75 HB2 ARG 75 -11.256 -24.240 9.980 557 HB3 ARG 75 HB3 ARG 75 -11.339 -22.752 10.913 558 HG2 ARG 75 HG2 ARG 75 -13.520 -23.817 10.897 559 HG3 ARG 75 HG3 ARG 75 -13.599 -22.302 9.994 560 HD2 ARG 75 HD2 ARG 75 -13.329 -23.675 7.868 561 HD3 ARG 75 HD3 ARG 75 -13.506 -25.125 8.866 562 HE ARG 75 HE ARG 75 -15.600 -23.028 8.744 563 HH11 ARG 75 HH11 ARG 75 -14.725 -26.434 8.486 564 HH12 ARG 75 HH12 ARG 75 -16.360 -26.941 8.217 565 HH21 ARG 75 HH21 ARG 75 -17.710 -23.709 8.413 566 HH22 ARG 75 HH22 ARG 75 -18.058 -25.397 8.201 567 H MET 76 H MET 76 -10.171 -20.496 10.200 568 HA MET 76 HA MET 76 -12.249 -18.593 10.024 569 HB2 MET 76 HB2 MET 76 -9.273 -18.160 10.500 570 HB3 MET 76 HB3 MET 76 -10.501 -16.924 10.744 571 HG2 MET 76 HG2 MET 76 -11.510 -18.272 12.532 572 HG3 MET 76 HG3 MET 76 -10.310 -19.538 12.261 573 HE1 MET 76 HE1 MET 76 -9.576 -15.644 12.080 574 HE2 MET 76 HE2 MET 76 -9.177 -15.301 13.762 575 HE3 MET 76 HE3 MET 76 -10.822 -15.761 13.324 576 H LEU 77 H LEU 77 -9.237 -18.905 8.179 577 HA LEU 77 HA LEU 77 -9.578 -16.758 6.384 578 HB2 LEU 77 HB2 LEU 77 -7.886 -19.250 6.446 579 HB3 LEU 77 HB3 LEU 77 -7.975 -18.369 4.935 580 HG LEU 77 HG LEU 77 -7.002 -16.385 5.920 581 HD11 LEU 77 HD11 LEU 77 -8.012 -16.411 8.138 582 HD12 LEU 77 HD12 LEU 77 -6.264 -16.250 8.264 583 HD13 LEU 77 HD13 LEU 77 -7.032 -17.804 8.598 584 HD21 LEU 77 HD21 LEU 77 -5.411 -18.835 6.765 585 HD22 LEU 77 HD22 LEU 77 -4.766 -17.207 6.535 586 HD23 LEU 77 HD23 LEU 77 -5.416 -18.096 5.160 587 H ASP 78 H ASP 78 -10.675 -20.116 6.217 588 HA ASP 78 HA ASP 78 -11.564 -20.146 3.499 589 HB2 ASP 78 HB2 ASP 78 -11.049 -22.231 4.625 590 HB3 ASP 78 HB3 ASP 78 -12.212 -21.903 5.901 591 H GLU 79 H GLU 79 -13.295 -19.769 6.576 592 HA GLU 79 HA GLU 79 -15.926 -19.419 5.731 593 HB2 GLU 79 HB2 GLU 79 -14.439 -18.241 8.104 594 HB3 GLU 79 HB3 GLU 79 -16.183 -18.099 7.884 595 HG2 GLU 79 HG2 GLU 79 -14.685 -20.727 8.123 596 HG3 GLU 79 HG3 GLU 79 -15.476 -19.896 9.449 597 H LYS 80 H LYS 80 -13.435 -16.988 6.410 598 HA LYS 80 HA LYS 80 -14.954 -14.714 5.695 599 HB2 LYS 80 HB2 LYS 80 -12.035 -15.229 6.285 600 HB3 LYS 80 HB3 LYS 80 -12.514 -13.665 5.627 601 HG2 LYS 80 HG2 LYS 80 -13.729 -14.874 8.134 602 HG3 LYS 80 HG3 LYS 80 -12.363 -13.756 8.148 603 HD2 LYS 80 HD2 LYS 80 -15.152 -13.146 7.060 604 HD3 LYS 80 HD3 LYS 80 -14.509 -12.598 8.611 605 HE2 LYS 80 HE2 LYS 80 -12.822 -11.245 7.488 606 HE3 LYS 80 HE3 LYS 80 -13.301 -11.882 5.913 607 HZ1 LYS 80 HZ1 LYS 80 -15.447 -10.831 6.188 608 HZ2 LYS 80 HZ2 LYS 80 -14.197 -9.703 6.300 609 HZ3 LYS 80 HZ3 LYS 80 -14.983 -10.229 7.698 610 H LEU 81 H LEU 81 -12.675 -16.714 3.836 611 HA LEU 81 HA LEU 81 -12.437 -15.165 1.506 612 HB2 LEU 81 HB2 LEU 81 -11.216 -17.343 2.137 613 HB3 LEU 81 HB3 LEU 81 -12.618 -18.214 1.563 614 HG LEU 81 HG LEU 81 -10.617 -18.133 0.001 615 HD11 LEU 81 HD11 LEU 81 -11.864 -17.849 -2.061 616 HD12 LEU 81 HD12 LEU 81 -13.180 -17.068 -1.180 617 HD13 LEU 81 HD13 LEU 81 -12.789 -18.759 -0.866 618 HD21 LEU 81 HD21 LEU 81 -11.403 -15.235 -0.390 619 HD22 LEU 81 HD22 LEU 81 -10.215 -16.129 -1.344 620 HD23 LEU 81 HD23 LEU 81 -9.924 -15.828 0.367 621 H LYS 82 H LYS 82 -14.839 -17.613 2.390 622 HA LYS 82 HA LYS 82 -16.542 -17.386 0.142 623 HB2 LYS 82 HB2 LYS 82 -16.589 -19.344 1.590 624 HB3 LYS 82 HB3 LYS 82 -17.059 -18.375 2.977 625 HG2 LYS 82 HG2 LYS 82 -18.917 -18.398 0.614 626 HG3 LYS 82 HG3 LYS 82 -18.807 -19.876 1.569 627 HD2 LYS 82 HD2 LYS 82 -19.596 -18.780 3.550 628 HD3 LYS 82 HD3 LYS 82 -19.374 -17.174 2.853 629 HE2 LYS 82 HE2 LYS 82 -21.751 -17.811 2.942 630 HE3 LYS 82 HE3 LYS 82 -21.212 -17.574 1.280 631 HZ1 LYS 82 HZ1 LYS 82 -21.532 -20.204 2.626 632 HZ2 LYS 82 HZ2 LYS 82 -21.051 -19.963 1.023 633 HZ3 LYS 82 HZ3 LYS 82 -22.611 -19.528 1.512 634 H GLN 83 H GLN 83 -16.421 -15.597 3.215 635 HA GLN 83 HA GLN 83 -19.013 -14.374 2.965 636 HB2 GLN 83 HB2 GLN 83 -16.632 -13.715 4.744 637 HB3 GLN 83 HB3 GLN 83 -18.207 -12.933 4.877 638 HG2 GLN 83 HG2 GLN 83 -17.822 -15.919 5.146 639 HG3 GLN 83 HG3 GLN 83 -17.729 -14.817 6.508 640 HE21 GLN 83 HE21 GLN 83 -19.624 -13.932 7.330 641 HE22 GLN 83 HE22 GLN 83 -21.197 -14.460 6.842 642 H HIS 84 H HIS 84 -15.773 -13.541 1.938 643 HA HIS 84 HA HIS 84 -16.315 -10.768 1.333 644 HB2 HIS 84 HB2 HIS 84 -14.016 -11.702 1.930 645 HB3 HIS 84 HB3 HIS 84 -13.983 -12.486 0.354 646 HD1 HIS 84 HD1 HIS 84 -12.755 -11.157 -1.335 647 HD2 HIS 84 HD2 HIS 84 -14.491 -8.715 1.538 648 HE1 HIS 84 HE1 HIS 84 -12.029 -8.822 -1.916 649 HE2 HIS 84 HE2 HIS 84 -13.181 -7.351 -0.230 650 H LEU 85 H LEU 85 -16.255 -13.839 -0.422 651 HA LEU 85 HA LEU 85 -16.811 -12.820 -3.039 652 HB2 LEU 85 HB2 LEU 85 -17.354 -15.546 -1.804 653 HB3 LEU 85 HB3 LEU 85 -17.547 -15.183 -3.514 654 HG LEU 85 HG LEU 85 -14.896 -15.046 -2.013 655 HD11 LEU 85 HD11 LEU 85 -15.932 -17.203 -3.880 656 HD12 LEU 85 HD12 LEU 85 -15.681 -17.352 -2.137 657 HD13 LEU 85 HD13 LEU 85 -14.302 -17.110 -3.206 658 HD21 LEU 85 HD21 LEU 85 -13.877 -14.887 -4.249 659 HD22 LEU 85 HD22 LEU 85 -14.951 -13.526 -3.934 660 HD23 LEU 85 HD23 LEU 85 -15.480 -14.840 -4.989 661 H ALA 86 H ALA 86 -18.786 -13.800 -0.291 662 HA ALA 86 HA ALA 86 -21.329 -13.805 -1.617 663 HB1 ALA 86 HB1 ALA 86 -22.254 -14.111 0.645 664 HB2 ALA 86 HB2 ALA 86 -20.686 -13.714 1.357 665 HB3 ALA 86 HB3 ALA 86 -20.870 -15.179 0.389 666 H SER 87 H SER 87 -19.580 -11.487 0.430 667 HA SER 87 HA SER 87 -21.721 -9.565 0.558 668 HB2 SER 87 HB2 SER 87 -20.000 -9.798 2.372 669 HB3 SER 87 HB3 SER 87 -18.767 -9.204 1.263 670 HG SER 87 HG SER 87 -20.783 -7.847 2.599 671 H GLY 88 H GLY 88 -18.473 -9.564 -0.970 672 HA2 GLY 88 HA2 GLY 88 -19.155 -7.256 -2.650 673 HA3 GLY 88 HA3 GLY 88 -17.576 -8.001 -2.455 674 H GLY 89 H GLY 89 -20.678 -9.484 -3.340 675 HA2 GLY 89 HA2 GLY 89 -19.427 -10.891 -5.575 676 HA3 GLY 89 HA3 GLY 89 -21.002 -11.210 -4.870 677 H ASP 90 H ASP 90 -21.725 -8.273 -5.063 678 HA ASP 90 HA ASP 90 -21.898 -7.802 -7.934 679 HB2 ASP 90 HB2 ASP 90 -23.784 -9.411 -7.446 680 HB3 ASP 90 HB3 ASP 90 -24.461 -8.237 -6.322 Start of MODEL 10 1 H ARG 11 H ARG 11 -8.752 -0.825 -2.849 2 HA ARG 11 HA ARG 11 -7.426 -0.752 -4.819 3 HB2 ARG 11 HB2 ARG 11 -7.845 -3.772 -4.813 4 HB3 ARG 11 HB3 ARG 11 -7.282 -2.884 -6.228 5 HG2 ARG 11 HG2 ARG 11 -5.839 -3.068 -3.551 6 HG3 ARG 11 HG3 ARG 11 -5.401 -3.924 -5.035 7 HD2 ARG 11 HD2 ARG 11 -4.949 -1.762 -6.152 8 HD3 ARG 11 HD3 ARG 11 -5.421 -0.899 -4.682 9 HE ARG 11 HE ARG 11 -3.248 -2.796 -4.347 10 HH11 ARG 11 HH11 ARG 11 -4.078 0.571 -4.994 11 HH12 ARG 11 HH12 ARG 11 -2.496 1.152 -4.596 12 HH21 ARG 11 HH21 ARG 11 -1.178 -2.004 -3.834 13 HH22 ARG 11 HH22 ARG 11 -0.854 -0.303 -3.940 14 HA PRO 12 HA PRO 12 -11.754 -0.028 -6.149 15 HB2 PRO 12 HB2 PRO 12 -11.100 1.594 -8.319 16 HB3 PRO 12 HB3 PRO 12 -11.229 2.170 -6.654 17 HG2 PRO 12 HG2 PRO 12 -8.772 1.375 -8.206 18 HG3 PRO 12 HG3 PRO 12 -9.017 2.775 -7.139 19 HD2 PRO 12 HD2 PRO 12 -7.690 0.599 -6.283 20 HD3 PRO 12 HD3 PRO 12 -8.766 1.496 -5.188 21 H LEU 13 H LEU 13 -9.123 -0.943 -8.322 22 HA LEU 13 HA LEU 13 -10.959 -2.577 -9.983 23 HB2 LEU 13 HB2 LEU 13 -8.267 -1.357 -10.748 24 HB3 LEU 13 HB3 LEU 13 -9.295 -2.322 -11.803 25 HG LEU 13 HG LEU 13 -10.035 0.412 -10.666 26 HD11 LEU 13 HD11 LEU 13 -9.735 1.274 -12.941 27 HD12 LEU 13 HD12 LEU 13 -9.164 -0.307 -13.480 28 HD13 LEU 13 HD13 LEU 13 -8.234 0.616 -12.297 29 HD21 LEU 13 HD21 LEU 13 -12.021 -0.983 -11.053 30 HD22 LEU 13 HD22 LEU 13 -11.506 -1.292 -12.715 31 HD23 LEU 13 HD23 LEU 13 -11.948 0.343 -12.214 32 HA PRO 14 HA PRO 14 -8.255 -5.604 -7.731 33 HB2 PRO 14 HB2 PRO 14 -10.123 -7.411 -7.081 34 HB3 PRO 14 HB3 PRO 14 -10.103 -5.827 -6.284 35 HG2 PRO 14 HG2 PRO 14 -11.841 -6.789 -8.560 36 HG3 PRO 14 HG3 PRO 14 -12.309 -5.880 -7.107 37 HD2 PRO 14 HD2 PRO 14 -11.801 -4.716 -9.587 38 HD3 PRO 14 HD3 PRO 14 -11.698 -3.852 -8.037 39 H VAL 15 H VAL 15 -8.616 -5.359 -10.677 40 HA VAL 15 HA VAL 15 -9.009 -7.832 -11.952 41 HB VAL 15 HB VAL 15 -9.043 -5.682 -13.152 42 HG11 VAL 15 HG11 VAL 15 -6.043 -5.521 -12.686 43 HG12 VAL 15 HG12 VAL 15 -7.266 -4.480 -11.952 44 HG13 VAL 15 HG13 VAL 15 -6.989 -4.420 -13.696 45 HG21 VAL 15 HG21 VAL 15 -7.767 -6.314 -15.184 46 HG22 VAL 15 HG22 VAL 15 -8.630 -7.695 -14.506 47 HG23 VAL 15 HG23 VAL 15 -6.892 -7.534 -14.254 48 H CYS 16 H CYS 16 -6.159 -6.373 -10.452 49 HA CYS 16 HA CYS 16 -4.277 -8.414 -11.097 50 HB2 CYS 16 HB2 CYS 16 -3.030 -7.411 -9.076 51 HB3 CYS 16 HB3 CYS 16 -3.398 -6.297 -10.390 52 HG CYS 16 HG CYS 16 -4.318 -4.550 -8.759 53 HA PRO 17 HA PRO 17 -5.975 -11.595 -8.341 54 HB2 PRO 17 HB2 PRO 17 -3.381 -13.030 -8.632 55 HB3 PRO 17 HB3 PRO 17 -4.998 -13.530 -9.139 56 HG2 PRO 17 HG2 PRO 17 -3.117 -12.803 -10.936 57 HG3 PRO 17 HG3 PRO 17 -4.841 -12.461 -11.191 58 HD2 PRO 17 HD2 PRO 17 -2.668 -10.594 -10.225 59 HD3 PRO 17 HD3 PRO 17 -3.963 -10.306 -11.413 60 H ASN 18 H ASN 18 -5.967 -10.295 -6.436 61 HA ASN 18 HA ASN 18 -3.605 -10.015 -4.779 62 HB2 ASN 18 HB2 ASN 18 -6.541 -9.367 -4.320 63 HB3 ASN 18 HB3 ASN 18 -5.336 -9.169 -3.055 64 HD21 ASN 18 HD21 ASN 18 -4.808 -8.440 -6.503 65 HD22 ASN 18 HD22 ASN 18 -4.637 -6.741 -6.279 66 HA PRO 19 HA PRO 19 -3.890 -14.164 -3.056 67 HB2 PRO 19 HB2 PRO 19 -2.169 -13.133 -0.834 68 HB3 PRO 19 HB3 PRO 19 -1.861 -14.447 -1.975 69 HG2 PRO 19 HG2 PRO 19 -0.563 -12.102 -2.183 70 HG3 PRO 19 HG3 PRO 19 -1.066 -13.006 -3.627 71 HD2 PRO 19 HD2 PRO 19 -2.368 -10.601 -2.350 72 HD3 PRO 19 HD3 PRO 19 -2.072 -10.941 -4.072 73 H LEU 20 H LEU 20 -4.496 -11.310 -1.082 74 HA LEU 20 HA LEU 20 -6.333 -10.705 0.071 75 HB2 LEU 20 HB2 LEU 20 -7.623 -12.159 -1.459 76 HB3 LEU 20 HB3 LEU 20 -7.360 -13.522 -0.394 77 HG LEU 20 HG LEU 20 -8.719 -12.415 1.372 78 HD11 LEU 20 HD11 LEU 20 -9.214 -10.236 -0.688 79 HD12 LEU 20 HD12 LEU 20 -8.319 -10.060 0.824 80 HD13 LEU 20 HD13 LEU 20 -10.046 -10.404 0.861 81 HD21 LEU 20 HD21 LEU 20 -9.781 -13.980 -0.182 82 HD22 LEU 20 HD22 LEU 20 -10.130 -12.660 -1.305 83 HD23 LEU 20 HD23 LEU 20 -10.900 -12.699 0.283 84 H PHE 21 H PHE 21 -5.406 -14.033 1.099 85 HA PHE 21 HA PHE 21 -6.029 -13.685 3.833 86 HB2 PHE 21 HB2 PHE 21 -4.023 -15.618 2.608 87 HB3 PHE 21 HB3 PHE 21 -4.733 -15.750 4.218 88 HD1 PHE 21 HD1 PHE 21 -7.503 -15.415 4.010 89 HD2 PHE 21 HD2 PHE 21 -4.910 -17.199 1.134 90 HE1 PHE 21 HE1 PHE 21 -9.392 -16.675 3.086 91 HE2 PHE 21 HE2 PHE 21 -6.809 -18.458 0.216 92 HZ PHE 21 HZ PHE 21 -9.049 -18.189 1.186 93 H VAL 22 H VAL 22 -3.292 -12.682 1.957 94 HA VAL 22 HA VAL 22 -1.380 -12.277 3.992 95 HB VAL 22 HB VAL 22 -1.795 -10.642 1.430 96 HG11 VAL 22 HG11 VAL 22 -0.372 -9.424 3.022 97 HG12 VAL 22 HG12 VAL 22 0.593 -10.001 1.664 98 HG13 VAL 22 HG13 VAL 22 0.663 -10.841 3.216 99 HG21 VAL 22 HG21 VAL 22 -0.067 -12.089 0.424 100 HG22 VAL 22 HG22 VAL 22 -1.450 -13.047 0.959 101 HG23 VAL 22 HG23 VAL 22 0.033 -13.029 1.918 102 H ARG 23 H ARG 23 -3.767 -9.946 2.586 103 HA ARG 23 HA ARG 23 -3.184 -7.841 4.398 104 HB2 ARG 23 HB2 ARG 23 -5.091 -6.665 3.537 105 HB3 ARG 23 HB3 ARG 23 -4.394 -7.535 2.177 106 HG2 ARG 23 HG2 ARG 23 -6.164 -9.211 2.290 107 HG3 ARG 23 HG3 ARG 23 -6.810 -8.480 3.757 108 HD2 ARG 23 HD2 ARG 23 -8.222 -7.805 1.952 109 HD3 ARG 23 HD3 ARG 23 -7.277 -6.389 2.410 110 HE ARG 23 HE ARG 23 -5.792 -7.297 0.408 111 HH11 ARG 23 HH11 ARG 23 -9.304 -7.086 0.554 112 HH12 ARG 23 HH12 ARG 23 -9.477 -6.744 -1.135 113 HH21 ARG 23 HH21 ARG 23 -6.044 -6.861 -1.820 114 HH22 ARG 23 HH22 ARG 23 -7.627 -6.611 -2.481 115 H TRP 24 H TRP 24 -5.445 -10.536 4.530 116 HA TRP 24 HA TRP 24 -7.015 -9.644 6.721 117 HB2 TRP 24 HB2 TRP 24 -6.705 -12.250 5.242 118 HB3 TRP 24 HB3 TRP 24 -7.505 -12.287 6.805 119 HD1 TRP 24 HD1 TRP 24 -8.779 -9.175 5.939 120 HE1 TRP 24 HE1 TRP 24 -10.982 -9.282 4.636 121 HE3 TRP 24 HE3 TRP 24 -8.549 -14.019 4.311 122 HZ2 TRP 24 HZ2 TRP 24 -12.446 -11.141 3.141 123 HZ3 TRP 24 HZ3 TRP 24 -10.411 -14.889 2.971 124 HH2 TRP 24 HH2 TRP 24 -12.316 -13.480 2.394 125 H LEU 25 H LEU 25 -4.330 -12.019 6.581 126 HA LEU 25 HA LEU 25 -4.247 -12.533 9.354 127 HB2 LEU 25 HB2 LEU 25 -2.111 -12.868 7.233 128 HB3 LEU 25 HB3 LEU 25 -1.911 -13.418 8.889 129 HG LEU 25 HG LEU 25 -4.023 -14.429 6.935 130 HD11 LEU 25 HD11 LEU 25 -1.521 -15.799 7.958 131 HD12 LEU 25 HD12 LEU 25 -1.797 -15.200 6.320 132 HD13 LEU 25 HD13 LEU 25 -2.766 -16.532 6.941 133 HD21 LEU 25 HD21 LEU 25 -4.872 -14.500 9.226 134 HD22 LEU 25 HD22 LEU 25 -3.422 -15.350 9.768 135 HD23 LEU 25 HD23 LEU 25 -4.539 -16.131 8.644 136 H THR 26 H THR 26 -2.874 -9.951 7.425 137 HA THR 26 HA THR 26 -1.023 -8.982 9.404 138 HB THR 26 HB THR 26 -2.148 -7.488 6.989 139 HG1 THR 26 HG1 THR 26 -0.883 -9.606 6.757 140 HG21 THR 26 HG21 THR 26 0.407 -7.022 8.578 141 HG22 THR 26 HG22 THR 26 -1.027 -5.991 8.617 142 HG23 THR 26 HG23 THR 26 -0.084 -6.140 7.132 143 H GLU 27 H GLU 27 -4.349 -8.082 8.410 144 HA GLU 27 HA GLU 27 -4.458 -5.726 10.051 145 HB2 GLU 27 HB2 GLU 27 -6.789 -5.516 9.369 146 HB3 GLU 27 HB3 GLU 27 -5.807 -5.935 7.973 147 HG2 GLU 27 HG2 GLU 27 -6.566 -8.297 8.188 148 HG3 GLU 27 HG3 GLU 27 -7.603 -7.822 9.525 149 H TRP 28 H TRP 28 -5.599 -9.070 10.431 150 HA TRP 28 HA TRP 28 -7.005 -8.632 12.896 151 HB2 TRP 28 HB2 TRP 28 -5.936 -11.235 11.731 152 HB3 TRP 28 HB3 TRP 28 -7.071 -11.105 13.069 153 HD1 TRP 28 HD1 TRP 28 -8.905 -8.801 11.513 154 HE1 TRP 28 HE1 TRP 28 -10.508 -9.653 9.699 155 HE3 TRP 28 HE3 TRP 28 -6.721 -13.313 10.560 156 HZ2 TRP 28 HZ2 TRP 28 -10.823 -11.941 8.086 157 HZ3 TRP 28 HZ3 TRP 28 -7.737 -14.778 8.877 158 HH2 TRP 28 HH2 TRP 28 -9.751 -14.116 7.658 159 H ARG 29 H ARG 29 -3.728 -9.665 12.020 160 HA ARG 29 HA ARG 29 -2.677 -10.171 14.598 161 HB2 ARG 29 HB2 ARG 29 -1.511 -10.738 12.479 162 HB3 ARG 29 HB3 ARG 29 -1.311 -9.025 12.126 163 HG2 ARG 29 HG2 ARG 29 0.080 -8.883 14.270 164 HG3 ARG 29 HG3 ARG 29 0.040 -10.651 14.302 165 HD2 ARG 29 HD2 ARG 29 2.096 -9.896 13.249 166 HD3 ARG 29 HD3 ARG 29 1.079 -10.687 12.042 167 HE ARG 29 HE ARG 29 0.431 -8.059 11.784 168 HH11 ARG 29 HH11 ARG 29 3.522 -9.738 11.704 169 HH12 ARG 29 HH12 ARG 29 4.254 -8.582 10.636 170 HH21 ARG 29 HH21 ARG 29 1.397 -6.575 10.366 171 HH22 ARG 29 HH22 ARG 29 3.043 -6.795 9.868 172 H ASP 30 H ASP 30 -3.101 -7.188 12.739 173 HA ASP 30 HA ASP 30 -1.626 -5.447 14.468 174 HB2 ASP 30 HB2 ASP 30 -2.111 -4.987 12.022 175 HB3 ASP 30 HB3 ASP 30 -3.787 -4.678 12.451 176 H GLU 31 H GLU 31 -5.081 -6.198 14.058 177 HA GLU 31 HA GLU 31 -6.096 -4.549 16.118 178 HB2 GLU 31 HB2 GLU 31 -7.194 -7.135 14.945 179 HB3 GLU 31 HB3 GLU 31 -8.083 -6.113 16.074 180 HG2 GLU 31 HG2 GLU 31 -7.171 -5.355 13.281 181 HG3 GLU 31 HG3 GLU 31 -8.819 -5.728 13.778 182 H ALA 32 H ALA 32 -4.794 -7.836 16.107 183 HA ALA 32 HA ALA 32 -5.448 -8.434 18.812 184 HB1 ALA 32 HB1 ALA 32 -3.316 -9.642 17.008 185 HB2 ALA 32 HB2 ALA 32 -4.988 -10.188 17.144 186 HB3 ALA 32 HB3 ALA 32 -3.900 -10.343 18.524 187 H ALA 33 H ALA 33 -2.771 -6.832 17.230 188 HA ALA 33 HA ALA 33 -0.951 -6.793 19.461 189 HB1 ALA 33 HB1 ALA 33 0.382 -5.284 18.030 190 HB2 ALA 33 HB2 ALA 33 -0.967 -5.168 16.894 191 HB3 ALA 33 HB3 ALA 33 -0.150 -6.712 17.139 192 H SER 34 H SER 34 -3.415 -4.608 18.163 193 HA SER 34 HA SER 34 -2.617 -2.422 19.969 194 HB2 SER 34 HB2 SER 34 -2.891 -1.828 17.591 195 HB3 SER 34 HB3 SER 34 -4.545 -2.438 17.607 196 HG SER 34 HG SER 34 -5.204 -0.695 18.627 197 H ARG 35 H ARG 35 -5.666 -4.014 18.921 198 HA ARG 35 HA ARG 35 -7.296 -2.882 20.944 199 HB2 ARG 35 HB2 ARG 35 -8.083 -3.847 18.724 200 HB3 ARG 35 HB3 ARG 35 -7.842 -5.460 19.401 201 HG2 ARG 35 HG2 ARG 35 -9.566 -5.034 21.092 202 HG3 ARG 35 HG3 ARG 35 -9.739 -3.369 20.532 203 HD2 ARG 35 HD2 ARG 35 -10.384 -5.866 18.927 204 HD3 ARG 35 HD3 ARG 35 -11.566 -4.792 19.683 205 HE ARG 35 HE ARG 35 -10.041 -4.334 17.233 206 HH11 ARG 35 HH11 ARG 35 -12.003 -2.779 19.714 207 HH12 ARG 35 HH12 ARG 35 -12.556 -1.523 18.656 208 HH21 ARG 35 HH21 ARG 35 -10.754 -2.675 15.873 209 HH22 ARG 35 HH22 ARG 35 -11.828 -1.453 16.476 210 H GLY 36 H GLY 36 -6.021 -6.229 20.614 211 HA2 GLY 36 HA2 GLY 36 -4.676 -7.013 22.556 212 HA3 GLY 36 HA3 GLY 36 -5.989 -6.465 23.588 213 H ARG 37 H ARG 37 -5.345 -8.614 20.844 214 HA ARG 37 HA ARG 37 -7.269 -10.603 21.927 215 HB2 ARG 37 HB2 ARG 37 -7.960 -9.580 19.726 216 HB3 ARG 37 HB3 ARG 37 -6.475 -10.179 19.005 217 HG2 ARG 37 HG2 ARG 37 -8.184 -11.690 18.361 218 HG3 ARG 37 HG3 ARG 37 -7.240 -12.525 19.596 219 HD2 ARG 37 HD2 ARG 37 -9.602 -12.927 19.984 220 HD3 ARG 37 HD3 ARG 37 -8.983 -11.897 21.276 221 HE ARG 37 HE ARG 37 -10.189 -10.095 20.440 222 HH11 ARG 37 HH11 ARG 37 -10.708 -12.904 18.381 223 HH12 ARG 37 HH12 ARG 37 -12.059 -12.198 17.563 224 HH21 ARG 37 HH21 ARG 37 -11.957 -9.178 19.337 225 HH22 ARG 37 HH22 ARG 37 -12.774 -10.088 18.106 226 H HIS 38 H HIS 38 -6.480 -12.676 22.232 227 HA HIS 38 HA HIS 38 -3.631 -12.976 22.458 228 HB2 HIS 38 HB2 HIS 38 -5.905 -14.898 23.041 229 HB3 HIS 38 HB3 HIS 38 -4.219 -15.265 23.374 230 HD1 HIS 38 HD1 HIS 38 -7.149 -13.851 24.927 231 HD2 HIS 38 HD2 HIS 38 -3.044 -13.287 25.284 232 HE1 HIS 38 HE1 HIS 38 -6.814 -12.766 27.161 233 HE2 HIS 38 HE2 HIS 38 -4.331 -12.420 27.350 234 H THR 39 H THR 39 -5.638 -13.435 19.835 235 HA THR 39 HA THR 39 -4.334 -15.707 18.618 236 HB THR 39 HB THR 39 -5.642 -15.068 16.591 237 HG1 THR 39 HG1 THR 39 -6.956 -13.238 16.668 238 HG21 THR 39 HG21 THR 39 -7.902 -15.386 17.514 239 HG22 THR 39 HG22 THR 39 -7.316 -15.005 19.133 240 HG23 THR 39 HG23 THR 39 -6.755 -16.464 18.310 241 H ARG 40 H ARG 40 -3.176 -12.734 19.303 242 HA ARG 40 HA ARG 40 -1.926 -11.614 17.129 243 HB2 ARG 40 HB2 ARG 40 -1.874 -10.638 19.378 244 HB3 ARG 40 HB3 ARG 40 -0.913 -11.978 19.980 245 HG2 ARG 40 HG2 ARG 40 0.448 -9.965 19.714 246 HG3 ARG 40 HG3 ARG 40 1.008 -11.247 18.639 247 HD2 ARG 40 HD2 ARG 40 -0.071 -10.170 16.729 248 HD3 ARG 40 HD3 ARG 40 -0.782 -8.950 17.787 249 HE ARG 40 HE ARG 40 1.261 -7.888 17.976 250 HH11 ARG 40 HH11 ARG 40 1.749 -10.887 16.188 251 HH12 ARG 40 HH12 ARG 40 3.283 -10.379 15.563 252 HH21 ARG 40 HH21 ARG 40 3.266 -7.278 17.168 253 HH22 ARG 40 HH22 ARG 40 4.147 -8.346 16.127 254 H PHE 41 H PHE 41 -0.881 -14.377 19.050 255 HA PHE 41 HA PHE 41 1.694 -14.688 17.848 256 HB2 PHE 41 HB2 PHE 41 0.060 -16.504 19.672 257 HB3 PHE 41 HB3 PHE 41 1.706 -16.866 19.161 258 HD1 PHE 41 HD1 PHE 41 -0.252 -14.100 20.824 259 HD2 PHE 41 HD2 PHE 41 3.470 -16.190 20.558 260 HE1 PHE 41 HE1 PHE 41 0.633 -12.779 22.704 261 HE2 PHE 41 HE2 PHE 41 4.341 -14.866 22.436 262 HZ PHE 41 HZ PHE 41 2.927 -13.160 23.510 263 H VAL 42 H VAL 42 -1.436 -16.390 17.464 264 HA VAL 42 HA VAL 42 -0.376 -18.357 15.671 265 HB VAL 42 HB VAL 42 -2.386 -18.741 17.159 266 HG11 VAL 42 HG11 VAL 42 -3.912 -17.150 15.071 267 HG12 VAL 42 HG12 VAL 42 -3.627 -16.656 16.739 268 HG13 VAL 42 HG13 VAL 42 -4.628 -18.070 16.401 269 HG21 VAL 42 HG21 VAL 42 -1.818 -20.322 15.371 270 HG22 VAL 42 HG22 VAL 42 -2.756 -19.381 14.209 271 HG23 VAL 42 HG23 VAL 42 -3.572 -20.203 15.542 272 H PHE 43 H PHE 43 -1.993 -15.233 15.205 273 HA PHE 43 HA PHE 43 -2.176 -15.452 12.332 274 HB2 PHE 43 HB2 PHE 43 -2.512 -13.089 14.220 275 HB3 PHE 43 HB3 PHE 43 -2.591 -12.902 12.470 276 HD1 PHE 43 HD1 PHE 43 -4.089 -15.417 11.753 277 HD2 PHE 43 HD2 PHE 43 -4.759 -12.566 14.864 278 HE1 PHE 43 HE1 PHE 43 -6.481 -15.967 11.744 279 HE2 PHE 43 HE2 PHE 43 -7.159 -13.136 14.852 280 HZ PHE 43 HZ PHE 43 -8.018 -14.837 13.294 281 H GLN 44 H GLN 44 0.243 -14.289 14.614 282 HA GLN 44 HA GLN 44 1.910 -12.854 12.816 283 HB2 GLN 44 HB2 GLN 44 2.185 -12.637 15.242 284 HB3 GLN 44 HB3 GLN 44 2.577 -14.340 15.392 285 HG2 GLN 44 HG2 GLN 44 4.600 -13.118 15.657 286 HG3 GLN 44 HG3 GLN 44 4.680 -13.911 14.089 287 HE21 GLN 44 HE21 GLN 44 6.116 -11.548 15.175 288 HE22 GLN 44 HE22 GLN 44 5.830 -10.270 14.043 289 H LYS 45 H LYS 45 1.938 -16.269 13.876 290 HA LYS 45 HA LYS 45 4.236 -16.974 12.287 291 HB2 LYS 45 HB2 LYS 45 3.839 -19.274 13.073 292 HB3 LYS 45 HB3 LYS 45 3.805 -18.119 14.399 293 HG2 LYS 45 HG2 LYS 45 1.295 -18.187 14.328 294 HG3 LYS 45 HG3 LYS 45 1.403 -19.443 13.095 295 HD2 LYS 45 HD2 LYS 45 1.005 -20.490 15.249 296 HD3 LYS 45 HD3 LYS 45 2.643 -20.887 14.722 297 HE2 LYS 45 HE2 LYS 45 3.530 -19.112 16.226 298 HE3 LYS 45 HE3 LYS 45 1.884 -18.754 16.758 299 HZ1 LYS 45 HZ1 LYS 45 2.990 -20.167 18.327 300 HZ2 LYS 45 HZ2 LYS 45 3.340 -21.315 17.141 301 HZ3 LYS 45 HZ3 LYS 45 1.736 -21.033 17.599 302 H ALA 46 H ALA 46 0.742 -17.292 11.899 303 HA ALA 46 HA ALA 46 0.704 -18.901 9.559 304 HB1 ALA 46 HB1 ALA 46 -1.321 -16.825 10.483 305 HB2 ALA 46 HB2 ALA 46 -1.303 -18.526 10.948 306 HB3 ALA 46 HB3 ALA 46 -1.608 -18.081 9.267 307 H LEU 47 H LEU 47 0.716 -15.389 10.068 308 HA LEU 47 HA LEU 47 0.725 -14.652 7.323 309 HB2 LEU 47 HB2 LEU 47 0.048 -13.090 9.115 310 HB3 LEU 47 HB3 LEU 47 1.688 -13.087 9.745 311 HG LEU 47 HG LEU 47 2.501 -12.030 7.641 312 HD11 LEU 47 HD11 LEU 47 0.804 -12.869 6.066 313 HD12 LEU 47 HD12 LEU 47 0.902 -11.112 6.008 314 HD13 LEU 47 HD13 LEU 47 -0.443 -11.891 6.848 315 HD21 LEU 47 HD21 LEU 47 1.939 -10.620 9.551 316 HD22 LEU 47 HD22 LEU 47 0.252 -10.532 9.039 317 HD23 LEU 47 HD23 LEU 47 1.515 -9.797 8.050 318 H ARG 48 H ARG 48 3.284 -15.311 9.695 319 HA ARG 48 HA ARG 48 5.461 -14.150 8.351 320 HB2 ARG 48 HB2 ARG 48 5.105 -15.680 10.769 321 HB3 ARG 48 HB3 ARG 48 6.370 -16.494 9.875 322 HG2 ARG 48 HG2 ARG 48 7.539 -15.004 11.245 323 HG3 ARG 48 HG3 ARG 48 7.506 -14.180 9.688 324 HD2 ARG 48 HD2 ARG 48 5.729 -13.597 12.084 325 HD3 ARG 48 HD3 ARG 48 7.067 -12.597 11.509 326 HE ARG 48 HE ARG 48 4.489 -13.021 10.101 327 HH11 ARG 48 HH11 ARG 48 7.237 -10.946 10.793 328 HH12 ARG 48 HH12 ARG 48 6.670 -9.656 9.784 329 HH21 ARG 48 HH21 ARG 48 3.781 -11.313 8.762 330 HH22 ARG 48 HH22 ARG 48 4.723 -9.865 8.634 331 H SER 49 H SER 49 4.287 -17.495 8.386 332 HA SER 49 HA SER 49 6.053 -18.633 6.537 333 HB2 SER 49 HB2 SER 49 4.215 -20.354 6.218 334 HB3 SER 49 HB3 SER 49 4.665 -20.064 7.896 335 HG SER 49 HG SER 49 2.394 -19.022 6.541 336 H LEU 50 H LEU 50 2.875 -17.090 6.065 337 HA LEU 50 HA LEU 50 2.632 -17.550 3.290 338 HB2 LEU 50 HB2 LEU 50 0.747 -17.046 4.796 339 HB3 LEU 50 HB3 LEU 50 1.354 -15.421 5.040 340 HG LEU 50 HG LEU 50 0.808 -14.791 2.753 341 HD11 LEU 50 HD11 LEU 50 -0.024 -17.668 2.285 342 HD12 LEU 50 HD12 LEU 50 1.361 -16.844 1.563 343 HD13 LEU 50 HD13 LEU 50 -0.275 -16.327 1.165 344 HD21 LEU 50 HD21 LEU 50 -1.015 -14.656 4.404 345 HD22 LEU 50 HD22 LEU 50 -1.520 -16.298 3.992 346 HD23 LEU 50 HD23 LEU 50 -1.633 -15.010 2.791 347 H GLN 51 H GLN 51 4.299 -14.980 5.054 348 HA GLN 51 HA GLN 51 4.638 -13.180 2.846 349 HB2 GLN 51 HB2 GLN 51 6.283 -13.400 5.407 350 HB3 GLN 51 HB3 GLN 51 6.378 -12.070 4.255 351 HG2 GLN 51 HG2 GLN 51 3.958 -12.805 5.930 352 HG3 GLN 51 HG3 GLN 51 5.063 -11.472 6.238 353 HE21 GLN 51 HE21 GLN 51 4.853 -9.580 5.030 354 HE22 GLN 51 HE22 GLN 51 3.523 -9.290 3.965 355 H ARG 52 H ARG 52 6.595 -15.801 4.251 356 HA ARG 52 HA ARG 52 8.608 -15.552 2.093 357 HB2 ARG 52 HB2 ARG 52 10.039 -16.999 3.521 358 HB3 ARG 52 HB3 ARG 52 9.518 -15.536 4.354 359 HG2 ARG 52 HG2 ARG 52 7.720 -16.893 5.472 360 HG3 ARG 52 HG3 ARG 52 8.425 -18.341 4.754 361 HD2 ARG 52 HD2 ARG 52 10.464 -18.046 6.004 362 HD3 ARG 52 HD3 ARG 52 9.966 -16.444 6.554 363 HE ARG 52 HE ARG 52 8.499 -18.879 7.318 364 HH11 ARG 52 HH11 ARG 52 10.086 -15.901 8.282 365 HH12 ARG 52 HH12 ARG 52 9.646 -16.071 9.950 366 HH21 ARG 52 HH21 ARG 52 7.901 -19.080 9.482 367 HH22 ARG 52 HH22 ARG 52 8.404 -17.881 10.626 368 H TYR 53 H TYR 53 5.782 -16.987 2.186 369 HA TYR 53 HA TYR 53 6.707 -19.184 0.425 370 HB2 TYR 53 HB2 TYR 53 5.704 -20.052 2.607 371 HB3 TYR 53 HB3 TYR 53 4.179 -19.320 2.130 372 HD1 TYR 53 HD1 TYR 53 6.778 -21.679 0.774 373 HD2 TYR 53 HD2 TYR 53 2.615 -20.741 1.016 374 HE1 TYR 53 HE1 TYR 53 6.240 -23.755 -0.423 375 HE2 TYR 53 HE2 TYR 53 2.084 -22.821 -0.181 376 HH TYR 53 HH TYR 53 4.392 -25.286 -0.730 377 HA PRO 54 HA PRO 54 4.291 -16.076 -1.915 378 HB2 PRO 54 HB2 PRO 54 5.964 -16.571 -4.245 379 HB3 PRO 54 HB3 PRO 54 6.028 -15.207 -3.128 380 HG2 PRO 54 HG2 PRO 54 8.023 -17.103 -3.335 381 HG3 PRO 54 HG3 PRO 54 7.719 -16.139 -1.876 382 HD2 PRO 54 HD2 PRO 54 6.816 -18.961 -2.499 383 HD3 PRO 54 HD3 PRO 54 7.542 -18.308 -1.008 384 H LEU 55 H LEU 55 3.323 -18.872 -1.740 385 HA LEU 55 HA LEU 55 2.344 -19.523 -4.419 386 HB2 LEU 55 HB2 LEU 55 2.870 -21.210 -2.510 387 HB3 LEU 55 HB3 LEU 55 1.371 -20.689 -1.779 388 HG LEU 55 HG LEU 55 1.204 -22.863 -2.978 389 HD11 LEU 55 HD11 LEU 55 -0.878 -22.524 -4.159 390 HD12 LEU 55 HD12 LEU 55 -0.588 -20.785 -4.245 391 HD13 LEU 55 HD13 LEU 55 -0.840 -21.563 -2.684 392 HD21 LEU 55 HD21 LEU 55 1.234 -22.980 -5.425 393 HD22 LEU 55 HD22 LEU 55 2.792 -22.476 -4.778 394 HD23 LEU 55 HD23 LEU 55 1.717 -21.282 -5.511 395 HA PRO 56 HA PRO 56 -1.215 -16.679 -3.871 396 HB2 PRO 56 HB2 PRO 56 -2.669 -17.470 -6.072 397 HB3 PRO 56 HB3 PRO 56 -1.269 -16.393 -6.182 398 HG2 PRO 56 HG2 PRO 56 -1.416 -19.374 -6.637 399 HG3 PRO 56 HG3 PRO 56 -0.612 -18.137 -7.626 400 HD2 PRO 56 HD2 PRO 56 0.782 -19.675 -5.893 401 HD3 PRO 56 HD3 PRO 56 1.217 -17.967 -6.162 402 H LEU 57 H LEU 57 -1.770 -17.831 -1.896 403 HA LEU 57 HA LEU 57 -3.679 -19.994 -1.942 404 HB2 LEU 57 HB2 LEU 57 -3.117 -17.974 0.280 405 HB3 LEU 57 HB3 LEU 57 -4.038 -19.463 0.450 406 HG LEU 57 HG LEU 57 -1.045 -19.235 -0.084 407 HD11 LEU 57 HD11 LEU 57 -0.790 -20.268 2.133 408 HD12 LEU 57 HD12 LEU 57 -2.539 -20.231 2.363 409 HD13 LEU 57 HD13 LEU 57 -1.632 -18.723 2.224 410 HD21 LEU 57 HD21 LEU 57 -1.938 -21.181 -1.284 411 HD22 LEU 57 HD22 LEU 57 -2.704 -21.769 0.191 412 HD23 LEU 57 HD23 LEU 57 -0.943 -21.689 0.078 413 H ARG 58 H ARG 58 -5.513 -19.598 -3.052 414 HA ARG 58 HA ARG 58 -6.903 -16.995 -2.879 415 HB2 ARG 58 HB2 ARG 58 -7.206 -19.347 -4.790 416 HB3 ARG 58 HB3 ARG 58 -8.220 -17.910 -4.846 417 HG2 ARG 58 HG2 ARG 58 -6.621 -16.643 -5.890 418 HG3 ARG 58 HG3 ARG 58 -5.305 -17.321 -4.932 419 HD2 ARG 58 HD2 ARG 58 -6.638 -18.708 -7.286 420 HD3 ARG 58 HD3 ARG 58 -5.091 -17.846 -7.339 421 HE ARG 58 HE ARG 58 -5.207 -19.926 -5.331 422 HH11 ARG 58 HH11 ARG 58 -4.482 -19.320 -8.715 423 HH12 ARG 58 HH12 ARG 58 -3.402 -20.670 -8.831 424 HH21 ARG 58 HH21 ARG 58 -3.812 -21.658 -5.494 425 HH22 ARG 58 HH22 ARG 58 -3.034 -22.016 -7.003 426 H SER 59 H SER 59 -7.502 -20.506 -2.596 427 HA SER 59 HA SER 59 -10.031 -20.063 -1.184 428 HB2 SER 59 HB2 SER 59 -9.976 -21.919 -2.785 429 HB3 SER 59 HB3 SER 59 -8.576 -22.623 -1.977 430 HG SER 59 HG SER 59 -11.162 -22.286 -0.827 431 H GLY 60 H GLY 60 -10.335 -20.473 0.992 432 HA2 GLY 60 HA2 GLY 60 -8.198 -20.326 2.843 433 HA3 GLY 60 HA3 GLY 60 -9.856 -20.779 3.213 434 H LYS 61 H LYS 61 -9.817 -23.035 1.320 435 HA LYS 61 HA LYS 61 -8.835 -25.144 2.919 436 HB2 LYS 61 HB2 LYS 61 -10.675 -25.465 1.323 437 HB3 LYS 61 HB3 LYS 61 -9.604 -25.114 -0.027 438 HG2 LYS 61 HG2 LYS 61 -8.371 -27.166 0.319 439 HG3 LYS 61 HG3 LYS 61 -9.228 -27.493 1.826 440 HD2 LYS 61 HD2 LYS 61 -10.525 -27.410 -0.935 441 HD3 LYS 61 HD3 LYS 61 -10.035 -28.887 -0.096 442 HE2 LYS 61 HE2 LYS 61 -11.623 -28.326 1.746 443 HE3 LYS 61 HE3 LYS 61 -12.135 -26.896 0.848 444 HZ1 LYS 61 HZ1 LYS 61 -12.891 -28.378 -0.933 445 HZ2 LYS 61 HZ2 LYS 61 -13.676 -28.688 0.529 446 HZ3 LYS 61 HZ3 LYS 61 -12.453 -29.723 -0.006 447 H GLU 62 H GLU 62 -7.359 -23.315 0.255 448 HA GLU 62 HA GLU 62 -5.065 -24.985 -0.107 449 HB2 GLU 62 HB2 GLU 62 -5.407 -22.024 -0.747 450 HB3 GLU 62 HB3 GLU 62 -4.058 -23.026 -1.283 451 HG2 GLU 62 HG2 GLU 62 -5.766 -24.471 -2.487 452 HG3 GLU 62 HG3 GLU 62 -6.964 -23.236 -2.106 453 H ALA 63 H ALA 63 -5.887 -22.474 2.174 454 HA ALA 63 HA ALA 63 -3.272 -21.806 3.100 455 HB1 ALA 63 HB1 ALA 63 -5.952 -21.512 4.506 456 HB2 ALA 63 HB2 ALA 63 -5.216 -20.326 3.427 457 HB3 ALA 63 HB3 ALA 63 -4.450 -20.707 4.969 458 H LYS 64 H LYS 64 -5.194 -24.579 3.588 459 HA LYS 64 HA LYS 64 -4.423 -25.408 6.187 460 HB2 LYS 64 HB2 LYS 64 -6.417 -26.285 5.047 461 HB3 LYS 64 HB3 LYS 64 -5.419 -27.008 3.800 462 HG2 LYS 64 HG2 LYS 64 -6.242 -28.701 5.358 463 HG3 LYS 64 HG3 LYS 64 -4.482 -28.586 5.427 464 HD2 LYS 64 HD2 LYS 64 -4.727 -27.148 7.489 465 HD3 LYS 64 HD3 LYS 64 -6.467 -27.451 7.436 466 HE2 LYS 64 HE2 LYS 64 -4.309 -29.573 7.742 467 HE3 LYS 64 HE3 LYS 64 -5.326 -28.941 9.036 468 HZ1 LYS 64 HZ1 LYS 64 -6.099 -31.080 8.138 469 HZ2 LYS 64 HZ2 LYS 64 -6.366 -30.348 6.640 470 HZ3 LYS 64 HZ3 LYS 64 -7.258 -29.854 7.990 471 H ILE 65 H ILE 65 -2.777 -25.578 3.096 472 HA ILE 65 HA ILE 65 -1.162 -27.877 3.526 473 HB ILE 65 HB ILE 65 0.192 -27.185 1.626 474 HG12 ILE 65 HG12 ILE 65 -1.165 -24.449 1.830 475 HG13 ILE 65 HG13 ILE 65 0.521 -24.781 2.194 476 HG21 ILE 65 HG21 ILE 65 -1.559 -26.927 -0.102 477 HG22 ILE 65 HG22 ILE 65 -2.728 -26.476 1.141 478 HG23 ILE 65 HG23 ILE 65 -2.039 -28.102 1.127 479 HD11 ILE 65 HD11 ILE 65 -0.794 -24.954 -0.516 480 HD12 ILE 65 HD12 ILE 65 0.894 -25.351 -0.178 481 HD13 ILE 65 HD13 ILE 65 0.309 -23.702 0.051 482 H LEU 66 H LEU 66 -0.881 -24.600 4.631 483 HA LEU 66 HA LEU 66 1.849 -24.994 5.662 484 HB2 LEU 66 HB2 LEU 66 0.049 -22.535 5.600 485 HB3 LEU 66 HB3 LEU 66 1.678 -22.563 6.268 486 HG LEU 66 HG LEU 66 0.989 -23.123 3.361 487 HD11 LEU 66 HD11 LEU 66 1.946 -20.906 2.849 488 HD12 LEU 66 HD12 LEU 66 2.159 -20.593 4.575 489 HD13 LEU 66 HD13 LEU 66 0.537 -20.773 3.901 490 HD21 LEU 66 HD21 LEU 66 3.420 -22.940 2.954 491 HD22 LEU 66 HD22 LEU 66 3.035 -24.268 4.043 492 HD23 LEU 66 HD23 LEU 66 3.697 -22.767 4.691 493 H GLN 67 H GLN 67 1.928 -25.981 7.547 494 HA GLN 67 HA GLN 67 -0.275 -26.169 9.396 495 HB2 GLN 67 HB2 GLN 67 2.587 -27.194 9.536 496 HB3 GLN 67 HB3 GLN 67 1.369 -27.538 10.762 497 HG2 GLN 67 HG2 GLN 67 1.211 -28.349 7.841 498 HG3 GLN 67 HG3 GLN 67 1.668 -29.407 9.176 499 HE21 GLN 67 HE21 GLN 67 -0.535 -29.713 7.289 500 HE22 GLN 67 HE22 GLN 67 -1.985 -29.757 8.221 501 H HIS 68 H HIS 68 2.002 -23.769 8.938 502 HA HIS 68 HA HIS 68 2.413 -22.867 11.635 503 HB2 HIS 68 HB2 HIS 68 2.467 -21.289 9.021 504 HB3 HIS 68 HB3 HIS 68 3.059 -20.703 10.575 505 HD1 HIS 68 HD1 HIS 68 5.403 -21.391 11.269 506 HD2 HIS 68 HD2 HIS 68 4.077 -23.376 7.864 507 HE1 HIS 68 HE1 HIS 68 7.404 -22.627 10.386 508 HE2 HIS 68 HE2 HIS 68 6.619 -23.710 8.251 509 H PHE 69 H PHE 69 -0.073 -22.440 9.194 510 HA PHE 69 HA PHE 69 -1.823 -20.752 10.685 511 HB2 PHE 69 HB2 PHE 69 -2.430 -22.740 8.424 512 HB3 PHE 69 HB3 PHE 69 -3.570 -21.566 9.064 513 HD1 PHE 69 HD1 PHE 69 0.028 -21.192 7.957 514 HD2 PHE 69 HD2 PHE 69 -4.042 -20.049 7.346 515 HE1 PHE 69 HE1 PHE 69 0.720 -19.634 6.193 516 HE2 PHE 69 HE2 PHE 69 -3.324 -18.490 5.587 517 HZ PHE 69 HZ PHE 69 -0.952 -18.282 5.006 518 H GLY 70 H GLY 70 -1.990 -24.217 9.805 519 HA2 GLY 70 HA2 GLY 70 -2.620 -26.035 11.167 520 HA3 GLY 70 HA3 GLY 70 -3.216 -24.923 12.395 521 H ASP 71 H ASP 71 -4.851 -26.903 11.867 522 HA ASP 71 HA ASP 71 -6.547 -26.697 9.603 523 HB2 ASP 71 HB2 ASP 71 -6.239 -28.778 10.932 524 HB3 ASP 71 HB3 ASP 71 -7.064 -28.030 12.296 525 H ARG 72 H ARG 72 -6.865 -25.488 12.920 526 HA ARG 72 HA ARG 72 -9.546 -24.531 12.743 527 HB2 ARG 72 HB2 ARG 72 -7.279 -23.789 14.637 528 HB3 ARG 72 HB3 ARG 72 -8.959 -23.289 14.860 529 HG2 ARG 72 HG2 ARG 72 -9.670 -25.584 15.176 530 HG3 ARG 72 HG3 ARG 72 -8.068 -26.193 14.738 531 HD2 ARG 72 HD2 ARG 72 -8.686 -24.471 17.164 532 HD3 ARG 72 HD3 ARG 72 -8.468 -26.225 17.190 533 HE ARG 72 HE ARG 72 -6.163 -25.556 16.134 534 HH11 ARG 72 HH11 ARG 72 -7.787 -23.886 18.764 535 HH12 ARG 72 HH12 ARG 72 -6.308 -23.375 19.507 536 HH21 ARG 72 HH21 ARG 72 -4.242 -24.887 17.121 537 HH22 ARG 72 HH22 ARG 72 -4.303 -23.934 18.565 538 H LEU 73 H LEU 73 -6.401 -22.941 12.427 539 HA LEU 73 HA LEU 73 -7.263 -20.282 11.969 540 HB2 LEU 73 HB2 LEU 73 -4.900 -21.339 12.499 541 HB3 LEU 73 HB3 LEU 73 -4.749 -21.479 10.769 542 HG LEU 73 HG LEU 73 -3.538 -19.542 11.638 543 HD11 LEU 73 HD11 LEU 73 -5.878 -18.688 9.932 544 HD12 LEU 73 HD12 LEU 73 -4.322 -19.315 9.381 545 HD13 LEU 73 HD13 LEU 73 -4.398 -17.755 10.196 546 HD21 LEU 73 HD21 LEU 73 -4.642 -17.650 12.661 547 HD22 LEU 73 HD22 LEU 73 -4.890 -19.116 13.604 548 HD23 LEU 73 HD23 LEU 73 -6.197 -18.486 12.594 549 H CYS 74 H CYS 74 -6.444 -22.943 9.779 550 HA CYS 74 HA CYS 74 -6.860 -21.774 7.274 551 HB2 CYS 74 HB2 CYS 74 -5.820 -23.931 7.354 552 HB3 CYS 74 HB3 CYS 74 -7.161 -24.637 8.252 553 HG CYS 74 HG CYS 74 -8.382 -23.525 5.466 554 H ARG 75 H ARG 75 -9.172 -23.290 9.508 555 HA ARG 75 HA ARG 75 -11.409 -23.225 7.731 556 HB2 ARG 75 HB2 ARG 75 -11.292 -24.815 9.631 557 HB3 ARG 75 HB3 ARG 75 -11.394 -23.479 10.767 558 HG2 ARG 75 HG2 ARG 75 -13.550 -24.658 10.533 559 HG3 ARG 75 HG3 ARG 75 -13.676 -22.971 10.035 560 HD2 ARG 75 HD2 ARG 75 -13.625 -23.629 7.672 561 HD3 ARG 75 HD3 ARG 75 -13.365 -25.322 8.117 562 HE ARG 75 HE ARG 75 -15.716 -24.467 9.368 563 HH11 ARG 75 HH11 ARG 75 -14.664 -24.877 6.025 564 HH12 ARG 75 HH12 ARG 75 -16.236 -25.359 5.479 565 HH21 ARG 75 HH21 ARG 75 -17.745 -25.093 8.620 566 HH22 ARG 75 HH22 ARG 75 -17.979 -25.491 6.949 567 H MET 76 H MET 76 -10.189 -20.971 10.212 568 HA MET 76 HA MET 76 -12.303 -19.109 10.189 569 HB2 MET 76 HB2 MET 76 -9.317 -18.635 10.562 570 HB3 MET 76 HB3 MET 76 -10.569 -17.447 10.923 571 HG2 MET 76 HG2 MET 76 -10.281 -20.149 12.259 572 HG3 MET 76 HG3 MET 76 -9.757 -18.611 12.936 573 HE1 MET 76 HE1 MET 76 -12.197 -16.679 12.010 574 HE2 MET 76 HE2 MET 76 -11.501 -16.635 13.632 575 HE3 MET 76 HE3 MET 76 -13.246 -16.786 13.424 576 H LEU 77 H LEU 77 -9.347 -19.265 8.216 577 HA LEU 77 HA LEU 77 -9.950 -17.083 6.489 578 HB2 LEU 77 HB2 LEU 77 -7.961 -19.352 6.418 579 HB3 LEU 77 HB3 LEU 77 -8.162 -18.354 4.991 580 HG LEU 77 HG LEU 77 -7.488 -16.348 6.223 581 HD11 LEU 77 HD11 LEU 77 -7.155 -18.131 8.650 582 HD12 LEU 77 HD12 LEU 77 -8.342 -16.841 8.446 583 HD13 LEU 77 HD13 LEU 77 -6.627 -16.450 8.526 584 HD21 LEU 77 HD21 LEU 77 -5.746 -17.682 5.136 585 HD22 LEU 77 HD22 LEU 77 -5.520 -18.623 6.613 586 HD23 LEU 77 HD23 LEU 77 -5.129 -16.902 6.592 587 H ASP 78 H ASP 78 -10.820 -20.466 6.400 588 HA ASP 78 HA ASP 78 -11.610 -20.654 3.657 589 HB2 ASP 78 HB2 ASP 78 -11.016 -22.625 5.040 590 HB3 ASP 78 HB3 ASP 78 -12.414 -22.339 6.071 591 H GLU 79 H GLU 79 -13.351 -20.159 6.689 592 HA GLU 79 HA GLU 79 -15.950 -19.807 5.691 593 HB2 GLU 79 HB2 GLU 79 -14.606 -18.764 8.204 594 HB3 GLU 79 HB3 GLU 79 -16.325 -18.547 7.870 595 HG2 GLU 79 HG2 GLU 79 -14.961 -21.258 8.026 596 HG3 GLU 79 HG3 GLU 79 -15.752 -20.467 9.376 597 H LYS 80 H LYS 80 -13.440 -17.425 6.558 598 HA LYS 80 HA LYS 80 -14.799 -15.075 5.888 599 HB2 LYS 80 HB2 LYS 80 -11.844 -15.726 6.111 600 HB3 LYS 80 HB3 LYS 80 -12.370 -14.117 5.625 601 HG2 LYS 80 HG2 LYS 80 -13.157 -15.484 8.220 602 HG3 LYS 80 HG3 LYS 80 -11.856 -14.300 8.057 603 HD2 LYS 80 HD2 LYS 80 -14.813 -13.777 7.489 604 HD3 LYS 80 HD3 LYS 80 -13.946 -13.295 8.949 605 HE2 LYS 80 HE2 LYS 80 -12.499 -11.817 7.629 606 HE3 LYS 80 HE3 LYS 80 -13.286 -12.338 6.139 607 HZ1 LYS 80 HZ1 LYS 80 -14.665 -10.965 8.372 608 HZ2 LYS 80 HZ2 LYS 80 -15.303 -11.330 6.848 609 HZ3 LYS 80 HZ3 LYS 80 -14.064 -10.191 6.996 610 H LEU 81 H LEU 81 -12.717 -17.134 3.862 611 HA LEU 81 HA LEU 81 -12.576 -15.470 1.597 612 HB2 LEU 81 HB2 LEU 81 -11.108 -17.434 1.981 613 HB3 LEU 81 HB3 LEU 81 -12.461 -18.513 1.730 614 HG LEU 81 HG LEU 81 -10.708 -18.182 -0.179 615 HD11 LEU 81 HD11 LEU 81 -12.723 -19.483 -0.517 616 HD12 LEU 81 HD12 LEU 81 -12.341 -18.539 -1.953 617 HD13 LEU 81 HD13 LEU 81 -13.644 -18.023 -0.876 618 HD21 LEU 81 HD21 LEU 81 -10.686 -15.730 -0.167 619 HD22 LEU 81 HD22 LEU 81 -12.371 -15.702 -0.698 620 HD23 LEU 81 HD23 LEU 81 -11.121 -16.371 -1.751 621 H LYS 82 H LYS 82 -14.838 -18.101 2.412 622 HA LYS 82 HA LYS 82 -16.468 -17.904 0.104 623 HB2 LYS 82 HB2 LYS 82 -16.484 -19.894 1.555 624 HB3 LYS 82 HB3 LYS 82 -17.140 -18.942 2.886 625 HG2 LYS 82 HG2 LYS 82 -19.206 -18.543 1.543 626 HG3 LYS 82 HG3 LYS 82 -18.544 -19.563 0.263 627 HD2 LYS 82 HD2 LYS 82 -18.600 -21.517 1.717 628 HD3 LYS 82 HD3 LYS 82 -19.067 -20.522 3.102 629 HE2 LYS 82 HE2 LYS 82 -21.194 -19.949 1.921 630 HE3 LYS 82 HE3 LYS 82 -20.733 -21.041 0.613 631 HZ1 LYS 82 HZ1 LYS 82 -22.266 -22.034 2.215 632 HZ2 LYS 82 HZ2 LYS 82 -21.119 -21.852 3.442 633 HZ3 LYS 82 HZ3 LYS 82 -20.805 -22.877 2.132 634 H GLN 83 H GLN 83 -16.472 -16.107 3.159 635 HA GLN 83 HA GLN 83 -19.047 -14.846 2.816 636 HB2 GLN 83 HB2 GLN 83 -16.673 -14.126 4.587 637 HB3 GLN 83 HB3 GLN 83 -18.251 -13.342 4.677 638 HG2 GLN 83 HG2 GLN 83 -19.280 -15.466 5.334 639 HG3 GLN 83 HG3 GLN 83 -17.733 -16.283 5.182 640 HE21 GLN 83 HE21 GLN 83 -19.612 -14.055 7.118 641 HE22 GLN 83 HE22 GLN 83 -18.582 -14.094 8.507 642 H HIS 84 H HIS 84 -15.739 -14.153 1.931 643 HA HIS 84 HA HIS 84 -16.116 -11.454 1.050 644 HB2 HIS 84 HB2 HIS 84 -13.885 -12.412 1.711 645 HB3 HIS 84 HB3 HIS 84 -13.923 -13.434 0.280 646 HD1 HIS 84 HD1 HIS 84 -13.742 -9.786 1.270 647 HD2 HIS 84 HD2 HIS 84 -12.976 -12.210 -2.016 648 HE1 HIS 84 HE1 HIS 84 -12.582 -8.306 -0.394 649 HE2 HIS 84 HE2 HIS 84 -12.290 -9.755 -2.439 650 H LEU 85 H LEU 85 -16.332 -14.659 -0.445 651 HA LEU 85 HA LEU 85 -16.762 -13.733 -3.135 652 HB2 LEU 85 HB2 LEU 85 -17.502 -16.416 -1.889 653 HB3 LEU 85 HB3 LEU 85 -17.505 -16.052 -3.611 654 HG LEU 85 HG LEU 85 -15.093 -16.289 -1.776 655 HD11 LEU 85 HD11 LEU 85 -14.417 -18.096 -3.307 656 HD12 LEU 85 HD12 LEU 85 -15.920 -17.892 -4.211 657 HD13 LEU 85 HD13 LEU 85 -15.965 -18.419 -2.528 658 HD21 LEU 85 HD21 LEU 85 -14.659 -14.397 -3.242 659 HD22 LEU 85 HD22 LEU 85 -15.098 -15.348 -4.662 660 HD23 LEU 85 HD23 LEU 85 -13.664 -15.770 -3.722 661 H ALA 86 H ALA 86 -18.789 -14.414 -0.346 662 HA ALA 86 HA ALA 86 -21.346 -14.293 -1.577 663 HB1 ALA 86 HB1 ALA 86 -20.595 -13.654 1.301 664 HB2 ALA 86 HB2 ALA 86 -20.976 -15.258 0.673 665 HB3 ALA 86 HB3 ALA 86 -22.222 -14.006 0.704 666 H SER 87 H SER 87 -19.300 -11.821 -0.020 667 HA SER 87 HA SER 87 -21.114 -9.626 -0.563 668 HB2 SER 87 HB2 SER 87 -19.228 -8.224 0.356 669 HB3 SER 87 HB3 SER 87 -19.715 -9.531 1.435 670 HG SER 87 HG SER 87 -17.525 -9.689 -0.376 671 H GLY 88 H GLY 88 -18.558 -11.227 -2.258 672 HA2 GLY 88 HA2 GLY 88 -17.918 -11.012 -4.479 673 HA3 GLY 88 HA3 GLY 88 -18.857 -9.531 -4.603 674 H GLY 89 H GLY 89 -17.647 -7.777 -4.965 675 HA2 GLY 89 HA2 GLY 89 -15.559 -6.779 -3.456 676 HA3 GLY 89 HA3 GLY 89 -14.785 -7.743 -4.715 677 H ASP 90 H ASP 90 -16.474 -7.339 -6.826 678 HA ASP 90 HA ASP 90 -17.046 -4.617 -7.401 679 HB2 ASP 90 HB2 ASP 90 -14.595 -4.394 -7.475 680 HB3 ASP 90 HB3 ASP 90 -14.474 -5.759 -8.582 Start of MODEL 11 1 H ARG 11 H ARG 11 0.809 -0.601 13.928 2 HA ARG 11 HA ARG 11 1.598 0.700 12.127 3 HB2 ARG 11 HB2 ARG 11 2.906 -2.062 12.067 4 HB3 ARG 11 HB3 ARG 11 3.642 -0.574 11.496 5 HG2 ARG 11 HG2 ARG 11 4.659 -0.938 13.565 6 HG3 ARG 11 HG3 ARG 11 3.429 0.272 13.930 7 HD2 ARG 11 HD2 ARG 11 1.976 -1.442 14.863 8 HD3 ARG 11 HD3 ARG 11 3.101 -2.719 14.395 9 HE ARG 11 HE ARG 11 3.480 -0.735 16.557 10 HH11 ARG 11 HH11 ARG 11 4.597 -3.650 14.933 11 HH12 ARG 11 HH12 ARG 11 5.691 -4.078 16.209 12 HH21 ARG 11 HH21 ARG 11 4.888 -1.345 18.237 13 HH22 ARG 11 HH22 ARG 11 5.844 -2.781 18.079 14 HA PRO 12 HA PRO 12 0.176 -0.631 7.971 15 HB2 PRO 12 HB2 PRO 12 1.192 1.388 6.497 16 HB3 PRO 12 HB3 PRO 12 -0.163 1.665 7.606 17 HG2 PRO 12 HG2 PRO 12 2.773 2.249 8.009 18 HG3 PRO 12 HG3 PRO 12 1.370 3.264 8.397 19 HD2 PRO 12 HD2 PRO 12 2.697 1.693 10.249 20 HD3 PRO 12 HD3 PRO 12 0.999 2.189 10.410 21 H LEU 13 H LEU 13 2.073 0.082 5.749 22 HA LEU 13 HA LEU 13 3.778 -0.733 4.540 23 HB2 LEU 13 HB2 LEU 13 5.252 0.153 6.311 24 HB3 LEU 13 HB3 LEU 13 5.077 -1.336 7.220 25 HG LEU 13 HG LEU 13 6.229 -2.555 5.304 26 HD11 LEU 13 HD11 LEU 13 6.836 0.244 4.298 27 HD12 LEU 13 HD12 LEU 13 5.798 -0.945 3.505 28 HD13 LEU 13 HD13 LEU 13 7.523 -1.259 3.675 29 HD21 LEU 13 HD21 LEU 13 7.453 -1.977 7.351 30 HD22 LEU 13 HD22 LEU 13 7.859 -0.391 6.685 31 HD23 LEU 13 HD23 LEU 13 8.498 -1.858 5.937 32 HA PRO 14 HA PRO 14 2.223 -5.091 4.778 33 HB2 PRO 14 HB2 PRO 14 1.743 -4.777 1.870 34 HB3 PRO 14 HB3 PRO 14 0.603 -5.192 3.150 35 HG2 PRO 14 HG2 PRO 14 0.522 -2.796 1.883 36 HG3 PRO 14 HG3 PRO 14 0.075 -2.974 3.594 37 HD2 PRO 14 HD2 PRO 14 2.690 -2.002 2.411 38 HD3 PRO 14 HD3 PRO 14 1.727 -1.313 3.746 39 H VAL 15 H VAL 15 3.552 -6.846 4.437 40 HA VAL 15 HA VAL 15 6.203 -6.450 3.420 41 HB VAL 15 HB VAL 15 4.834 -9.026 4.294 42 HG11 VAL 15 HG11 VAL 15 6.780 -9.558 2.894 43 HG12 VAL 15 HG12 VAL 15 7.113 -9.966 4.576 44 HG13 VAL 15 HG13 VAL 15 7.804 -8.502 3.873 45 HG21 VAL 15 HG21 VAL 15 6.658 -7.179 5.878 46 HG22 VAL 15 HG22 VAL 15 6.000 -8.717 6.444 47 HG23 VAL 15 HG23 VAL 15 4.916 -7.367 6.107 48 H CYS 16 H CYS 16 3.646 -8.797 2.380 49 HA CYS 16 HA CYS 16 4.305 -8.296 -0.435 50 HB2 CYS 16 HB2 CYS 16 5.732 -10.221 0.214 51 HB3 CYS 16 HB3 CYS 16 4.312 -11.097 0.778 52 HG CYS 16 HG CYS 16 3.893 -12.262 -1.467 53 HA PRO 17 HA PRO 17 -0.273 -8.767 0.239 54 HB2 PRO 17 HB2 PRO 17 -1.118 -6.342 -0.544 55 HB3 PRO 17 HB3 PRO 17 -0.333 -6.551 1.030 56 HG2 PRO 17 HG2 PRO 17 0.844 -5.507 -1.549 57 HG3 PRO 17 HG3 PRO 17 1.033 -4.871 0.098 58 HD2 PRO 17 HD2 PRO 17 2.880 -6.542 -1.163 59 HD3 PRO 17 HD3 PRO 17 2.737 -6.352 0.598 60 H ASN 18 H ASN 18 -1.468 -9.790 -1.329 61 HA ASN 18 HA ASN 18 -2.038 -8.585 -3.803 62 HB2 ASN 18 HB2 ASN 18 0.272 -10.300 -3.967 63 HB3 ASN 18 HB3 ASN 18 -1.032 -11.191 -4.743 64 HD21 ASN 18 HD21 ASN 18 0.934 -8.295 -4.849 65 HD22 ASN 18 HD22 ASN 18 0.555 -7.847 -6.474 66 HA PRO 19 HA PRO 19 -4.963 -12.320 -2.979 67 HB2 PRO 19 HB2 PRO 19 -4.438 -14.162 -1.046 68 HB3 PRO 19 HB3 PRO 19 -3.835 -14.358 -2.699 69 HG2 PRO 19 HG2 PRO 19 -2.386 -13.326 -0.262 70 HG3 PRO 19 HG3 PRO 19 -1.828 -14.486 -1.488 71 HD2 PRO 19 HD2 PRO 19 -1.123 -11.830 -1.547 72 HD3 PRO 19 HD3 PRO 19 -1.285 -12.812 -3.018 73 H LEU 20 H LEU 20 -6.594 -12.586 -1.261 74 HA LEU 20 HA LEU 20 -6.712 -10.321 0.494 75 HB2 LEU 20 HB2 LEU 20 -8.555 -12.717 0.201 76 HB3 LEU 20 HB3 LEU 20 -8.916 -11.294 1.173 77 HG LEU 20 HG LEU 20 -8.517 -11.269 -1.852 78 HD11 LEU 20 HD11 LEU 20 -10.557 -12.477 -1.251 79 HD12 LEU 20 HD12 LEU 20 -10.928 -10.945 -2.031 80 HD13 LEU 20 HD13 LEU 20 -11.109 -11.107 -0.281 81 HD21 LEU 20 HD21 LEU 20 -9.456 -9.053 0.008 82 HD22 LEU 20 HD22 LEU 20 -9.386 -8.969 -1.756 83 HD23 LEU 20 HD23 LEU 20 -7.900 -9.131 -0.826 84 H PHE 21 H PHE 21 -5.785 -13.650 0.810 85 HA PHE 21 HA PHE 21 -6.250 -14.120 3.551 86 HB2 PHE 21 HB2 PHE 21 -4.258 -15.385 1.610 87 HB3 PHE 21 HB3 PHE 21 -4.578 -16.004 3.231 88 HD1 PHE 21 HD1 PHE 21 -6.231 -15.260 -0.037 89 HD2 PHE 21 HD2 PHE 21 -6.416 -17.429 3.626 90 HE1 PHE 21 HE1 PHE 21 -8.199 -16.486 -0.851 91 HE2 PHE 21 HE2 PHE 21 -8.373 -18.649 2.804 92 HZ PHE 21 HZ PHE 21 -9.272 -18.174 0.577 93 H VAL 22 H VAL 22 -3.341 -12.923 1.854 94 HA VAL 22 HA VAL 22 -1.646 -12.934 4.130 95 HB VAL 22 HB VAL 22 -0.748 -12.931 1.828 96 HG11 VAL 22 HG11 VAL 22 -0.647 -10.882 0.456 97 HG12 VAL 22 HG12 VAL 22 -1.652 -10.041 1.638 98 HG13 VAL 22 HG13 VAL 22 -2.317 -11.396 0.726 99 HG21 VAL 22 HG21 VAL 22 1.117 -11.356 2.190 100 HG22 VAL 22 HG22 VAL 22 0.709 -12.225 3.671 101 HG23 VAL 22 HG23 VAL 22 0.189 -10.552 3.461 102 H ARG 23 H ARG 23 -3.630 -10.358 2.638 103 HA ARG 23 HA ARG 23 -2.732 -8.282 4.402 104 HB2 ARG 23 HB2 ARG 23 -4.566 -6.911 3.410 105 HB3 ARG 23 HB3 ARG 23 -3.513 -7.636 2.202 106 HG2 ARG 23 HG2 ARG 23 -5.177 -9.265 1.602 107 HG3 ARG 23 HG3 ARG 23 -6.200 -8.823 2.971 108 HD2 ARG 23 HD2 ARG 23 -5.530 -6.989 0.639 109 HD3 ARG 23 HD3 ARG 23 -7.025 -7.920 0.805 110 HE ARG 23 HE ARG 23 -6.964 -6.542 3.115 111 HH11 ARG 23 HH11 ARG 23 -6.627 -5.418 -0.207 112 HH12 ARG 23 HH12 ARG 23 -7.295 -3.860 0.148 113 HH21 ARG 23 HH21 ARG 23 -7.802 -4.534 3.539 114 HH22 ARG 23 HH22 ARG 23 -7.972 -3.369 2.274 115 H TRP 24 H TRP 24 -5.398 -10.579 4.449 116 HA TRP 24 HA TRP 24 -6.829 -9.430 6.634 117 HB2 TRP 24 HB2 TRP 24 -6.850 -12.186 5.355 118 HB3 TRP 24 HB3 TRP 24 -7.753 -11.884 6.833 119 HD1 TRP 24 HD1 TRP 24 -8.599 -8.808 5.724 120 HE1 TRP 24 HE1 TRP 24 -10.592 -8.700 4.122 121 HE3 TRP 24 HE3 TRP 24 -8.678 -13.691 4.132 122 HZ2 TRP 24 HZ2 TRP 24 -12.022 -10.405 2.423 123 HZ3 TRP 24 HZ3 TRP 24 -10.403 -14.360 2.521 124 HH2 TRP 24 HH2 TRP 24 -12.045 -12.752 1.678 125 H LEU 25 H LEU 25 -4.315 -11.994 6.453 126 HA LEU 25 HA LEU 25 -4.172 -12.460 9.261 127 HB2 LEU 25 HB2 LEU 25 -2.161 -12.924 7.040 128 HB3 LEU 25 HB3 LEU 25 -1.846 -13.392 8.705 129 HG LEU 25 HG LEU 25 -4.079 -14.500 6.949 130 HD11 LEU 25 HD11 LEU 25 -1.510 -15.812 7.911 131 HD12 LEU 25 HD12 LEU 25 -1.865 -15.295 6.258 132 HD13 LEU 25 HD13 LEU 25 -2.801 -16.593 6.990 133 HD21 LEU 25 HD21 LEU 25 -4.459 -16.100 8.799 134 HD22 LEU 25 HD22 LEU 25 -4.784 -14.439 9.284 135 HD23 LEU 25 HD23 LEU 25 -3.286 -15.227 9.792 136 H THR 26 H THR 26 -2.696 -10.039 7.176 137 HA THR 26 HA THR 26 -0.735 -9.034 8.973 138 HB THR 26 HB THR 26 -2.119 -7.646 6.633 139 HG1 THR 26 HG1 THR 26 -0.665 -9.584 6.345 140 HG21 THR 26 HG21 THR 26 -0.218 -6.045 6.652 141 HG22 THR 26 HG22 THR 26 0.389 -6.783 8.136 142 HG23 THR 26 HG23 THR 26 -1.160 -5.938 8.143 143 H GLU 27 H GLU 27 -4.076 -7.974 8.232 144 HA GLU 27 HA GLU 27 -4.060 -5.800 10.065 145 HB2 GLU 27 HB2 GLU 27 -6.481 -5.608 9.703 146 HB3 GLU 27 HB3 GLU 27 -5.635 -5.793 8.173 147 HG2 GLU 27 HG2 GLU 27 -6.390 -8.044 7.910 148 HG3 GLU 27 HG3 GLU 27 -6.968 -8.127 9.568 149 H TRP 28 H TRP 28 -5.309 -9.168 10.309 150 HA TRP 28 HA TRP 28 -6.584 -8.873 12.811 151 HB2 TRP 28 HB2 TRP 28 -5.526 -11.373 11.432 152 HB3 TRP 28 HB3 TRP 28 -6.505 -11.407 12.894 153 HD1 TRP 28 HD1 TRP 28 -8.576 -9.049 11.748 154 HE1 TRP 28 HE1 TRP 28 -10.342 -9.823 10.060 155 HE3 TRP 28 HE3 TRP 28 -6.383 -13.397 10.196 156 HZ2 TRP 28 HZ2 TRP 28 -10.771 -11.973 8.304 157 HZ3 TRP 28 HZ3 TRP 28 -7.540 -14.747 8.510 158 HH2 TRP 28 HH2 TRP 28 -9.689 -14.063 7.579 159 H ARG 29 H ARG 29 -3.266 -9.792 11.954 160 HA ARG 29 HA ARG 29 -2.334 -10.603 14.516 161 HB2 ARG 29 HB2 ARG 29 -1.047 -11.099 12.508 162 HB3 ARG 29 HB3 ARG 29 -0.898 -9.390 12.116 163 HG2 ARG 29 HG2 ARG 29 0.418 -9.198 14.364 164 HG3 ARG 29 HG3 ARG 29 0.527 -10.962 14.291 165 HD2 ARG 29 HD2 ARG 29 2.524 -9.740 13.321 166 HD3 ARG 29 HD3 ARG 29 1.748 -10.853 12.195 167 HE ARG 29 HE ARG 29 1.349 -9.095 10.820 168 HH11 ARG 29 HH11 ARG 29 1.687 -7.642 14.021 169 HH12 ARG 29 HH12 ARG 29 1.552 -6.024 13.411 170 HH21 ARG 29 HH21 ARG 29 1.154 -6.974 10.079 171 HH22 ARG 29 HH22 ARG 29 1.247 -5.654 11.196 172 H ASP 30 H ASP 30 -2.188 -7.492 12.818 173 HA ASP 30 HA ASP 30 -0.741 -6.107 14.858 174 HB2 ASP 30 HB2 ASP 30 -0.746 -5.553 12.366 175 HB3 ASP 30 HB3 ASP 30 -2.357 -4.879 12.589 176 H GLU 31 H GLU 31 -4.121 -6.188 13.876 177 HA GLU 31 HA GLU 31 -5.231 -4.429 15.759 178 HB2 GLU 31 HB2 GLU 31 -6.435 -6.757 14.215 179 HB3 GLU 31 HB3 GLU 31 -7.396 -5.743 15.291 180 HG2 GLU 31 HG2 GLU 31 -5.851 -4.698 12.894 181 HG3 GLU 31 HG3 GLU 31 -7.546 -5.169 12.845 182 H ALA 32 H ALA 32 -4.426 -7.898 15.910 183 HA ALA 32 HA ALA 32 -5.722 -8.543 18.324 184 HB1 ALA 32 HB1 ALA 32 -4.785 -10.272 16.838 185 HB2 ALA 32 HB2 ALA 32 -4.182 -10.456 18.488 186 HB3 ALA 32 HB3 ALA 32 -3.152 -9.741 17.242 187 H ALA 33 H ALA 33 -2.490 -7.240 17.685 188 HA ALA 33 HA ALA 33 -1.644 -7.016 20.398 189 HB1 ALA 33 HB1 ALA 33 0.110 -5.520 19.497 190 HB2 ALA 33 HB2 ALA 33 -0.744 -5.449 17.951 191 HB3 ALA 33 HB3 ALA 33 -0.064 -6.977 18.513 192 H SER 34 H SER 34 -3.276 -4.750 18.163 193 HA SER 34 HA SER 34 -3.077 -2.468 19.926 194 HB2 SER 34 HB2 SER 34 -4.627 -2.801 17.316 195 HB3 SER 34 HB3 SER 34 -4.258 -1.266 18.112 196 HG SER 34 HG SER 34 -2.705 -2.814 16.484 197 H ARG 35 H ARG 35 -5.367 -5.008 19.624 198 HA ARG 35 HA ARG 35 -7.596 -3.430 20.780 199 HB2 ARG 35 HB2 ARG 35 -7.941 -4.889 18.673 200 HB3 ARG 35 HB3 ARG 35 -7.734 -6.291 19.707 201 HG2 ARG 35 HG2 ARG 35 -10.084 -5.939 19.380 202 HG3 ARG 35 HG3 ARG 35 -9.711 -5.529 21.056 203 HD2 ARG 35 HD2 ARG 35 -9.729 -3.144 20.497 204 HD3 ARG 35 HD3 ARG 35 -10.016 -3.523 18.795 205 HE ARG 35 HE ARG 35 -12.076 -4.710 20.234 206 HH11 ARG 35 HH11 ARG 35 -10.936 -1.451 19.610 207 HH12 ARG 35 HH12 ARG 35 -12.509 -0.748 19.773 208 HH21 ARG 35 HH21 ARG 35 -14.113 -3.783 20.429 209 HH22 ARG 35 HH22 ARG 35 -14.311 -2.073 20.243 210 H GLY 36 H GLY 36 -5.511 -6.253 21.261 211 HA2 GLY 36 HA2 GLY 36 -4.811 -6.887 23.488 212 HA3 GLY 36 HA3 GLY 36 -6.412 -6.487 24.087 213 H ARG 37 H ARG 37 -6.216 -8.194 21.083 214 HA ARG 37 HA ARG 37 -7.345 -10.630 22.138 215 HB2 ARG 37 HB2 ARG 37 -6.554 -9.699 19.378 216 HB3 ARG 37 HB3 ARG 37 -6.695 -11.423 19.639 217 HG2 ARG 37 HG2 ARG 37 -8.739 -10.533 18.672 218 HG3 ARG 37 HG3 ARG 37 -9.047 -11.172 20.286 219 HD2 ARG 37 HD2 ARG 37 -9.063 -8.894 21.197 220 HD3 ARG 37 HD3 ARG 37 -8.687 -8.238 19.599 221 HE ARG 37 HE ARG 37 -10.897 -9.477 18.977 222 HH11 ARG 37 HH11 ARG 37 -10.369 -7.688 21.945 223 HH12 ARG 37 HH12 ARG 37 -12.032 -7.240 22.086 224 HH21 ARG 37 HH21 ARG 37 -13.056 -8.906 19.196 225 HH22 ARG 37 HH22 ARG 37 -13.543 -7.916 20.538 226 H HIS 38 H HIS 38 -6.372 -12.549 22.500 227 HA HIS 38 HA HIS 38 -3.495 -12.693 22.849 228 HB2 HIS 38 HB2 HIS 38 -5.656 -14.810 23.246 229 HB3 HIS 38 HB3 HIS 38 -3.972 -14.972 23.740 230 HD1 HIS 38 HD1 HIS 38 -7.201 -13.384 24.724 231 HD2 HIS 38 HD2 HIS 38 -3.256 -13.481 26.032 232 HE1 HIS 38 HE1 HIS 38 -7.225 -12.357 27.016 233 HE2 HIS 38 HE2 HIS 38 -4.819 -12.325 27.736 234 H THR 39 H THR 39 -5.524 -13.127 20.205 235 HA THR 39 HA THR 39 -4.286 -15.363 18.902 236 HB THR 39 HB THR 39 -5.557 -14.544 16.883 237 HG1 THR 39 HG1 THR 39 -5.972 -12.464 16.944 238 HG21 THR 39 HG21 THR 39 -6.670 -16.075 18.474 239 HG22 THR 39 HG22 THR 39 -7.823 -14.922 17.793 240 HG23 THR 39 HG23 THR 39 -7.208 -14.694 19.432 241 H ARG 40 H ARG 40 -2.865 -12.573 19.645 242 HA ARG 40 HA ARG 40 -1.553 -11.434 17.518 243 HB2 ARG 40 HB2 ARG 40 -1.254 -10.602 19.763 244 HB3 ARG 40 HB3 ARG 40 -0.630 -12.142 20.331 245 HG2 ARG 40 HG2 ARG 40 1.183 -10.572 20.213 246 HG3 ARG 40 HG3 ARG 40 1.427 -11.790 18.961 247 HD2 ARG 40 HD2 ARG 40 0.599 -10.226 17.259 248 HD3 ARG 40 HD3 ARG 40 0.255 -9.031 18.511 249 HE ARG 40 HE ARG 40 2.833 -9.705 17.368 250 HH11 ARG 40 HH11 ARG 40 1.234 -8.134 20.093 251 HH12 ARG 40 HH12 ARG 40 2.623 -7.177 20.493 252 HH21 ARG 40 HH21 ARG 40 4.626 -8.462 17.931 253 HH22 ARG 40 HH22 ARG 40 4.536 -7.369 19.276 254 H PHE 41 H PHE 41 -0.675 -14.420 19.233 255 HA PHE 41 HA PHE 41 1.875 -14.719 17.969 256 HB2 PHE 41 HB2 PHE 41 0.322 -16.726 19.666 257 HB3 PHE 41 HB3 PHE 41 2.038 -16.798 19.281 258 HD1 PHE 41 HD1 PHE 41 -0.530 -15.015 21.276 259 HD2 PHE 41 HD2 PHE 41 3.649 -15.409 20.468 260 HE1 PHE 41 HE1 PHE 41 -0.012 -13.739 23.314 261 HE2 PHE 41 HE2 PHE 41 4.157 -14.123 22.500 262 HZ PHE 41 HZ PHE 41 2.330 -13.288 23.921 263 H VAL 42 H VAL 42 -1.309 -16.261 17.574 264 HA VAL 42 HA VAL 42 -0.423 -18.335 15.822 265 HB VAL 42 HB VAL 42 -2.497 -18.560 17.191 266 HG11 VAL 42 HG11 VAL 42 -3.764 -16.587 15.261 267 HG12 VAL 42 HG12 VAL 42 -3.453 -16.312 16.974 268 HG13 VAL 42 HG13 VAL 42 -4.630 -17.529 16.480 269 HG21 VAL 42 HG21 VAL 42 -2.912 -18.882 14.199 270 HG22 VAL 42 HG22 VAL 42 -3.867 -19.688 15.446 271 HG23 VAL 42 HG23 VAL 42 -2.148 -20.050 15.279 272 H PHE 43 H PHE 43 -1.886 -15.124 15.299 273 HA PHE 43 HA PHE 43 -1.974 -15.352 12.428 274 HB2 PHE 43 HB2 PHE 43 -2.275 -12.946 14.273 275 HB3 PHE 43 HB3 PHE 43 -2.387 -12.826 12.518 276 HD1 PHE 43 HD1 PHE 43 -3.959 -15.131 11.724 277 HD2 PHE 43 HD2 PHE 43 -4.450 -12.612 15.139 278 HE1 PHE 43 HE1 PHE 43 -6.347 -15.684 11.791 279 HE2 PHE 43 HE2 PHE 43 -6.848 -13.174 15.195 280 HZ PHE 43 HZ PHE 43 -7.796 -14.711 13.522 281 H GLN 44 H GLN 44 0.411 -14.252 14.770 282 HA GLN 44 HA GLN 44 2.172 -12.850 13.057 283 HB2 GLN 44 HB2 GLN 44 2.259 -12.822 15.559 284 HB3 GLN 44 HB3 GLN 44 2.839 -14.476 15.562 285 HG2 GLN 44 HG2 GLN 44 4.398 -12.288 14.168 286 HG3 GLN 44 HG3 GLN 44 4.513 -12.502 15.910 287 HE21 GLN 44 HE21 GLN 44 5.458 -14.444 16.724 288 HE22 GLN 44 HE22 GLN 44 6.522 -15.394 15.748 289 H LYS 45 H LYS 45 2.236 -16.251 14.158 290 HA LYS 45 HA LYS 45 4.482 -16.986 12.545 291 HB2 LYS 45 HB2 LYS 45 4.032 -19.292 13.346 292 HB3 LYS 45 HB3 LYS 45 4.054 -18.113 14.654 293 HG2 LYS 45 HG2 LYS 45 1.518 -18.090 14.557 294 HG3 LYS 45 HG3 LYS 45 1.609 -19.446 13.429 295 HD2 LYS 45 HD2 LYS 45 2.688 -19.433 16.284 296 HD3 LYS 45 HD3 LYS 45 1.166 -20.167 15.774 297 HE2 LYS 45 HE2 LYS 45 2.418 -21.732 14.317 298 HE3 LYS 45 HE3 LYS 45 3.936 -20.997 14.840 299 HZ1 LYS 45 HZ1 LYS 45 3.480 -23.014 16.037 300 HZ2 LYS 45 HZ2 LYS 45 1.999 -22.409 16.573 301 HZ3 LYS 45 HZ3 LYS 45 3.439 -21.694 17.093 302 H ALA 46 H ALA 46 0.973 -17.336 12.129 303 HA ALA 46 HA ALA 46 1.012 -19.047 9.852 304 HB1 ALA 46 HB1 ALA 46 -1.348 -18.405 9.558 305 HB2 ALA 46 HB2 ALA 46 -1.146 -17.086 10.717 306 HB3 ALA 46 HB3 ALA 46 -0.998 -18.761 11.252 307 H LEU 47 H LEU 47 0.709 -15.499 10.194 308 HA LEU 47 HA LEU 47 0.581 -14.837 7.455 309 HB2 LEU 47 HB2 LEU 47 -0.041 -13.232 9.172 310 HB3 LEU 47 HB3 LEU 47 1.585 -13.243 9.833 311 HG LEU 47 HG LEU 47 2.432 -12.172 7.737 312 HD11 LEU 47 HD11 LEU 47 0.897 -11.232 6.101 313 HD12 LEU 47 HD12 LEU 47 -0.477 -11.982 6.909 314 HD13 LEU 47 HD13 LEU 47 0.760 -12.987 6.148 315 HD21 LEU 47 HD21 LEU 47 1.878 -10.789 9.669 316 HD22 LEU 47 HD22 LEU 47 0.205 -10.653 9.121 317 HD23 LEU 47 HD23 LEU 47 1.509 -9.940 8.169 318 H ARG 48 H ARG 48 3.332 -14.983 9.698 319 HA ARG 48 HA ARG 48 5.391 -14.035 8.101 320 HB2 ARG 48 HB2 ARG 48 5.521 -14.516 10.558 321 HB3 ARG 48 HB3 ARG 48 5.571 -16.237 10.199 322 HG2 ARG 48 HG2 ARG 48 7.729 -15.776 8.892 323 HG3 ARG 48 HG3 ARG 48 7.686 -14.144 9.572 324 HD2 ARG 48 HD2 ARG 48 9.150 -15.529 10.929 325 HD3 ARG 48 HD3 ARG 48 7.703 -15.155 11.875 326 HE ARG 48 HE ARG 48 8.152 -17.733 10.462 327 HH11 ARG 48 HH11 ARG 48 6.931 -16.024 13.292 328 HH12 ARG 48 HH12 ARG 48 6.450 -17.484 14.096 329 HH21 ARG 48 HH21 ARG 48 7.498 -19.607 11.523 330 HH22 ARG 48 HH22 ARG 48 6.766 -19.509 13.092 331 H SER 49 H SER 49 4.126 -17.322 8.441 332 HA SER 49 HA SER 49 5.869 -18.650 6.660 333 HB2 SER 49 HB2 SER 49 3.032 -19.350 7.483 334 HB3 SER 49 HB3 SER 49 4.141 -20.438 6.642 335 HG SER 49 HG SER 49 4.504 -19.285 9.200 336 H LEU 50 H LEU 50 2.646 -17.155 6.125 337 HA LEU 50 HA LEU 50 2.345 -17.926 3.419 338 HB2 LEU 50 HB2 LEU 50 0.609 -16.992 5.143 339 HB3 LEU 50 HB3 LEU 50 1.107 -15.405 4.592 340 HG LEU 50 HG LEU 50 -0.018 -17.530 2.701 341 HD11 LEU 50 HD11 LEU 50 -1.595 -15.344 4.104 342 HD12 LEU 50 HD12 LEU 50 -1.700 -17.079 4.425 343 HD13 LEU 50 HD13 LEU 50 -2.203 -16.445 2.861 344 HD21 LEU 50 HD21 LEU 50 0.201 -14.518 2.357 345 HD22 LEU 50 HD22 LEU 50 -0.534 -15.639 1.206 346 HD23 LEU 50 HD23 LEU 50 1.191 -15.734 1.548 347 H GLN 51 H GLN 51 3.914 -15.162 4.945 348 HA GLN 51 HA GLN 51 4.352 -13.514 2.683 349 HB2 GLN 51 HB2 GLN 51 5.935 -13.686 5.288 350 HB3 GLN 51 HB3 GLN 51 6.075 -12.382 4.110 351 HG2 GLN 51 HG2 GLN 51 3.488 -13.042 5.544 352 HG3 GLN 51 HG3 GLN 51 4.680 -11.921 6.184 353 HE21 GLN 51 HE21 GLN 51 3.054 -10.301 6.176 354 HE22 GLN 51 HE22 GLN 51 2.581 -9.511 4.715 355 H ARG 52 H ARG 52 6.250 -16.129 4.177 356 HA ARG 52 HA ARG 52 8.384 -15.876 2.160 357 HB2 ARG 52 HB2 ARG 52 9.651 -17.466 3.550 358 HB3 ARG 52 HB3 ARG 52 9.084 -16.113 4.524 359 HG2 ARG 52 HG2 ARG 52 7.287 -17.496 5.450 360 HG3 ARG 52 HG3 ARG 52 7.762 -18.852 4.427 361 HD2 ARG 52 HD2 ARG 52 9.540 -17.602 6.557 362 HD3 ARG 52 HD3 ARG 52 8.537 -19.033 6.808 363 HE ARG 52 HE ARG 52 9.880 -20.020 4.877 364 HH11 ARG 52 HH11 ARG 52 11.311 -17.652 7.038 365 HH12 ARG 52 HH12 ARG 52 12.898 -18.340 6.924 366 HH21 ARG 52 HH21 ARG 52 11.944 -20.906 4.738 367 HH22 ARG 52 HH22 ARG 52 13.252 -20.189 5.622 368 H TYR 53 H TYR 53 5.449 -17.440 2.258 369 HA TYR 53 HA TYR 53 6.303 -20.072 1.340 370 HB2 TYR 53 HB2 TYR 53 4.240 -19.535 2.843 371 HB3 TYR 53 HB3 TYR 53 3.432 -19.054 1.358 372 HD1 TYR 53 HD1 TYR 53 5.689 -21.955 2.265 373 HD2 TYR 53 HD2 TYR 53 1.865 -20.732 0.784 374 HE1 TYR 53 HE1 TYR 53 5.048 -24.312 1.955 375 HE2 TYR 53 HE2 TYR 53 1.244 -23.083 0.481 376 HH TYR 53 HH TYR 53 2.871 -25.625 1.840 377 HA PRO 54 HA PRO 54 6.434 -18.471 -2.896 378 HB2 PRO 54 HB2 PRO 54 7.239 -20.727 -4.186 379 HB3 PRO 54 HB3 PRO 54 8.323 -19.815 -3.125 380 HG2 PRO 54 HG2 PRO 54 6.729 -22.305 -2.515 381 HG3 PRO 54 HG3 PRO 54 8.428 -21.951 -2.138 382 HD2 PRO 54 HD2 PRO 54 6.428 -21.680 -0.296 383 HD3 PRO 54 HD3 PRO 54 7.880 -20.654 -0.285 384 H LEU 55 H LEU 55 4.287 -20.954 -1.804 385 HA LEU 55 HA LEU 55 2.833 -21.190 -4.315 386 HB2 LEU 55 HB2 LEU 55 2.219 -22.302 -1.553 387 HB3 LEU 55 HB3 LEU 55 1.188 -22.535 -2.950 388 HG LEU 55 HG LEU 55 3.176 -23.706 -4.071 389 HD11 LEU 55 HD11 LEU 55 4.978 -22.913 -2.631 390 HD12 LEU 55 HD12 LEU 55 4.901 -24.673 -2.622 391 HD13 LEU 55 HD13 LEU 55 4.273 -23.756 -1.249 392 HD21 LEU 55 HD21 LEU 55 1.951 -24.992 -1.611 393 HD22 LEU 55 HD22 LEU 55 2.703 -25.848 -2.963 394 HD23 LEU 55 HD23 LEU 55 1.229 -24.915 -3.223 395 HA PRO 56 HA PRO 56 0.265 -17.629 -3.207 396 HB2 PRO 56 HB2 PRO 56 -1.280 -17.537 -5.434 397 HB3 PRO 56 HB3 PRO 56 0.441 -17.130 -5.485 398 HG2 PRO 56 HG2 PRO 56 -0.942 -19.653 -6.354 399 HG3 PRO 56 HG3 PRO 56 0.438 -18.822 -7.094 400 HD2 PRO 56 HD2 PRO 56 0.591 -21.062 -5.401 401 HD3 PRO 56 HD3 PRO 56 1.942 -19.979 -5.795 402 H LEU 57 H LEU 57 -0.900 -18.335 -1.422 403 HA LEU 57 HA LEU 57 -2.899 -20.412 -1.527 404 HB2 LEU 57 HB2 LEU 57 -2.330 -18.406 0.700 405 HB3 LEU 57 HB3 LEU 57 -3.296 -19.872 0.856 406 HG LEU 57 HG LEU 57 -0.299 -19.747 0.299 407 HD11 LEU 57 HD11 LEU 57 -0.805 -19.165 2.598 408 HD12 LEU 57 HD12 LEU 57 -0.029 -20.743 2.524 409 HD13 LEU 57 HD13 LEU 57 -1.771 -20.631 2.800 410 HD21 LEU 57 HD21 LEU 57 -0.308 -22.206 0.534 411 HD22 LEU 57 HD22 LEU 57 -1.245 -21.671 -0.853 412 HD23 LEU 57 HD23 LEU 57 -2.071 -22.194 0.617 413 H ARG 58 H ARG 58 -4.561 -19.877 -2.900 414 HA ARG 58 HA ARG 58 -6.065 -17.364 -2.530 415 HB2 ARG 58 HB2 ARG 58 -5.248 -18.053 -4.854 416 HB3 ARG 58 HB3 ARG 58 -6.363 -19.415 -4.780 417 HG2 ARG 58 HG2 ARG 58 -8.270 -17.867 -4.625 418 HG3 ARG 58 HG3 ARG 58 -7.172 -16.489 -4.616 419 HD2 ARG 58 HD2 ARG 58 -6.438 -17.125 -6.935 420 HD3 ARG 58 HD3 ARG 58 -7.646 -18.423 -6.918 421 HE ARG 58 HE ARG 58 -8.785 -15.874 -6.272 422 HH11 ARG 58 HH11 ARG 58 -7.844 -17.861 -9.021 423 HH12 ARG 58 HH12 ARG 58 -8.887 -17.014 -10.113 424 HH21 ARG 58 HH21 ARG 58 -10.112 -14.803 -7.713 425 HH22 ARG 58 HH22 ARG 58 -10.156 -15.280 -9.377 426 H SER 59 H SER 59 -6.107 -20.441 -1.324 427 HA SER 59 HA SER 59 -8.886 -20.153 -0.424 428 HB2 SER 59 HB2 SER 59 -8.980 -21.789 -2.293 429 HB3 SER 59 HB3 SER 59 -7.725 -22.761 -1.522 430 HG SER 59 HG SER 59 -10.229 -22.160 -0.303 431 H GLY 60 H GLY 60 -9.233 -20.923 1.668 432 HA2 GLY 60 HA2 GLY 60 -7.015 -21.196 3.454 433 HA3 GLY 60 HA3 GLY 60 -8.713 -21.475 3.841 434 H LYS 61 H LYS 61 -8.931 -23.424 1.595 435 HA LYS 61 HA LYS 61 -8.313 -25.912 2.702 436 HB2 LYS 61 HB2 LYS 61 -9.904 -25.458 0.807 437 HB3 LYS 61 HB3 LYS 61 -8.526 -25.151 -0.244 438 HG2 LYS 61 HG2 LYS 61 -7.789 -27.545 0.194 439 HG3 LYS 61 HG3 LYS 61 -9.334 -27.799 1.012 440 HD2 LYS 61 HD2 LYS 61 -8.913 -27.031 -1.905 441 HD3 LYS 61 HD3 LYS 61 -9.470 -28.595 -1.304 442 HE2 LYS 61 HE2 LYS 61 -11.544 -27.562 -0.489 443 HE3 LYS 61 HE3 LYS 61 -10.972 -25.968 -0.989 444 HZ1 LYS 61 HZ1 LYS 61 -10.957 -26.734 -3.271 445 HZ2 LYS 61 HZ2 LYS 61 -12.495 -26.898 -2.589 446 HZ3 LYS 61 HZ3 LYS 61 -11.507 -28.256 -2.789 447 H GLU 62 H GLU 62 -6.422 -23.765 0.634 448 HA GLU 62 HA GLU 62 -4.197 -25.581 0.221 449 HB2 GLU 62 HB2 GLU 62 -4.431 -22.593 -0.369 450 HB3 GLU 62 HB3 GLU 62 -3.159 -23.672 -0.955 451 HG2 GLU 62 HG2 GLU 62 -4.831 -24.945 -2.243 452 HG3 GLU 62 HG3 GLU 62 -6.106 -23.880 -1.647 453 H ALA 63 H ALA 63 -4.981 -22.849 2.305 454 HA ALA 63 HA ALA 63 -2.418 -22.575 3.567 455 HB1 ALA 63 HB1 ALA 63 -4.080 -20.745 3.554 456 HB2 ALA 63 HB2 ALA 63 -3.624 -21.172 5.204 457 HB3 ALA 63 HB3 ALA 63 -5.172 -21.716 4.548 458 H LYS 64 H LYS 64 -5.104 -24.707 3.957 459 HA LYS 64 HA LYS 64 -5.041 -25.505 6.619 460 HB2 LYS 64 HB2 LYS 64 -6.835 -26.023 5.038 461 HB3 LYS 64 HB3 LYS 64 -5.761 -27.083 4.134 462 HG2 LYS 64 HG2 LYS 64 -5.634 -28.603 6.092 463 HG3 LYS 64 HG3 LYS 64 -6.746 -27.542 6.969 464 HD2 LYS 64 HD2 LYS 64 -8.537 -28.008 5.396 465 HD3 LYS 64 HD3 LYS 64 -7.435 -28.860 4.312 466 HE2 LYS 64 HE2 LYS 64 -8.766 -30.482 5.510 467 HE3 LYS 64 HE3 LYS 64 -7.100 -30.588 6.079 468 HZ1 LYS 64 HZ1 LYS 64 -8.678 -30.686 7.889 469 HZ2 LYS 64 HZ2 LYS 64 -9.311 -29.181 7.466 470 HZ3 LYS 64 HZ3 LYS 64 -7.720 -29.305 8.011 471 H ILE 65 H ILE 65 -3.008 -26.579 3.935 472 HA ILE 65 HA ILE 65 -2.029 -28.972 5.120 473 HB ILE 65 HB ILE 65 -0.354 -29.024 3.336 474 HG12 ILE 65 HG12 ILE 65 -1.205 -26.159 2.731 475 HG13 ILE 65 HG13 ILE 65 0.373 -26.677 3.301 476 HG21 ILE 65 HG21 ILE 65 -1.870 -28.978 1.377 477 HG22 ILE 65 HG22 ILE 65 -3.048 -28.044 2.303 478 HG23 ILE 65 HG23 ILE 65 -2.664 -29.702 2.778 479 HD11 ILE 65 HD11 ILE 65 0.459 -26.122 0.964 480 HD12 ILE 65 HD12 ILE 65 -0.841 -27.256 0.604 481 HD13 ILE 65 HD13 ILE 65 0.724 -27.855 1.163 482 H LEU 66 H LEU 66 -1.096 -25.612 5.474 483 HA LEU 66 HA LEU 66 1.468 -26.225 6.702 484 HB2 LEU 66 HB2 LEU 66 0.015 -23.547 6.587 485 HB3 LEU 66 HB3 LEU 66 1.667 -23.814 7.120 486 HG LEU 66 HG LEU 66 1.948 -24.784 4.619 487 HD11 LEU 66 HD11 LEU 66 0.637 -23.569 2.966 488 HD12 LEU 66 HD12 LEU 66 -0.297 -22.779 4.238 489 HD13 LEU 66 HD13 LEU 66 -0.426 -24.524 4.000 490 HD21 LEU 66 HD21 LEU 66 1.924 -21.821 5.238 491 HD22 LEU 66 HD22 LEU 66 2.767 -22.600 3.894 492 HD23 LEU 66 HD23 LEU 66 3.250 -22.944 5.554 493 H GLN 67 H GLN 67 1.523 -26.999 8.695 494 HA GLN 67 HA GLN 67 -0.491 -26.778 10.695 495 HB2 GLN 67 HB2 GLN 67 2.447 -27.525 11.014 496 HB3 GLN 67 HB3 GLN 67 1.162 -27.874 12.165 497 HG2 GLN 67 HG2 GLN 67 1.484 -29.063 9.389 498 HG3 GLN 67 HG3 GLN 67 1.795 -29.874 10.920 499 HE21 GLN 67 HE21 GLN 67 -0.007 -30.434 12.251 500 HE22 GLN 67 HE22 GLN 67 -1.590 -30.598 11.581 501 H HIS 68 H HIS 68 1.996 -24.647 9.666 502 HA HIS 68 HA HIS 68 2.553 -23.050 11.912 503 HB2 HIS 68 HB2 HIS 68 2.312 -22.289 8.970 504 HB3 HIS 68 HB3 HIS 68 2.974 -21.227 10.211 505 HD1 HIS 68 HD1 HIS 68 3.893 -24.009 7.955 506 HD2 HIS 68 HD2 HIS 68 5.477 -22.109 11.294 507 HE1 HIS 68 HE1 HIS 68 6.327 -24.631 8.000 508 HE2 HIS 68 HE2 HIS 68 7.278 -23.396 9.971 509 H PHE 69 H PHE 69 -0.210 -23.108 9.742 510 HA PHE 69 HA PHE 69 -1.556 -20.825 10.906 511 HB2 PHE 69 HB2 PHE 69 -2.406 -22.851 8.763 512 HB3 PHE 69 HB3 PHE 69 -3.395 -21.496 9.288 513 HD1 PHE 69 HD1 PHE 69 0.202 -21.885 8.179 514 HD2 PHE 69 HD2 PHE 69 -3.504 -19.818 7.680 515 HE1 PHE 69 HE1 PHE 69 1.197 -20.508 6.402 516 HE2 PHE 69 HE2 PHE 69 -2.495 -18.446 5.914 517 HZ PHE 69 HZ PHE 69 -0.150 -18.788 5.273 518 H GLY 70 H GLY 70 -2.350 -24.284 10.374 519 HA2 GLY 70 HA2 GLY 70 -3.297 -25.749 12.017 520 HA3 GLY 70 HA3 GLY 70 -3.940 -24.358 12.886 521 H ASP 71 H ASP 71 -5.436 -26.674 11.975 522 HA ASP 71 HA ASP 71 -6.796 -26.326 9.549 523 HB2 ASP 71 HB2 ASP 71 -6.936 -28.451 10.619 524 HB3 ASP 71 HB3 ASP 71 -7.550 -27.753 12.112 525 H ARG 72 H ARG 72 -7.811 -25.296 12.825 526 HA ARG 72 HA ARG 72 -10.309 -24.150 12.146 527 HB2 ARG 72 HB2 ARG 72 -8.468 -23.397 14.459 528 HB3 ARG 72 HB3 ARG 72 -10.180 -22.980 14.336 529 HG2 ARG 72 HG2 ARG 72 -10.784 -25.365 14.461 530 HG3 ARG 72 HG3 ARG 72 -9.071 -25.803 14.529 531 HD2 ARG 72 HD2 ARG 72 -8.879 -24.430 16.640 532 HD3 ARG 72 HD3 ARG 72 -10.632 -24.218 16.603 533 HE ARG 72 HE ARG 72 -10.653 -26.798 16.651 534 HH11 ARG 72 HH11 ARG 72 -8.224 -24.836 18.266 535 HH12 ARG 72 HH12 ARG 72 -7.967 -25.975 19.539 536 HH21 ARG 72 HH21 ARG 72 -10.309 -28.287 18.348 537 HH22 ARG 72 HH22 ARG 72 -9.143 -27.942 19.580 538 H LEU 73 H LEU 73 -7.056 -22.801 12.358 539 HA LEU 73 HA LEU 73 -7.548 -20.060 11.966 540 HB2 LEU 73 HB2 LEU 73 -5.367 -21.284 12.642 541 HB3 LEU 73 HB3 LEU 73 -5.128 -21.623 10.948 542 HG LEU 73 HG LEU 73 -3.701 -19.785 11.747 543 HD11 LEU 73 HD11 LEU 73 -5.728 -18.766 9.760 544 HD12 LEU 73 HD12 LEU 73 -4.278 -19.709 9.410 545 HD13 LEU 73 HD13 LEU 73 -4.125 -18.077 10.059 546 HD21 LEU 73 HD21 LEU 73 -5.123 -18.951 13.515 547 HD22 LEU 73 HD22 LEU 73 -6.239 -18.266 12.327 548 HD23 LEU 73 HD23 LEU 73 -4.586 -17.653 12.455 549 H CYS 74 H CYS 74 -6.735 -22.614 9.647 550 HA CYS 74 HA CYS 74 -6.848 -21.047 7.295 551 HB2 CYS 74 HB2 CYS 74 -7.095 -24.056 7.638 552 HB3 CYS 74 HB3 CYS 74 -6.688 -23.202 6.142 553 HG CYS 74 HG CYS 74 -4.678 -24.313 8.396 554 H ARG 75 H ARG 75 -9.268 -22.832 9.088 555 HA ARG 75 HA ARG 75 -11.307 -22.853 7.092 556 HB2 ARG 75 HB2 ARG 75 -11.311 -24.444 9.029 557 HB3 ARG 75 HB3 ARG 75 -11.607 -23.104 10.129 558 HG2 ARG 75 HG2 ARG 75 -13.679 -24.361 9.657 559 HG3 ARG 75 HG3 ARG 75 -13.800 -22.693 9.090 560 HD2 ARG 75 HD2 ARG 75 -13.264 -23.463 6.784 561 HD3 ARG 75 HD3 ARG 75 -13.228 -25.132 7.360 562 HE ARG 75 HE ARG 75 -15.672 -24.487 8.101 563 HH11 ARG 75 HH11 ARG 75 -14.079 -23.651 5.073 564 HH12 ARG 75 HH12 ARG 75 -15.557 -23.607 4.179 565 HH21 ARG 75 HH21 ARG 75 -17.593 -24.422 6.910 566 HH22 ARG 75 HH22 ARG 75 -17.554 -24.025 5.221 567 H MET 76 H MET 76 -10.422 -20.627 9.725 568 HA MET 76 HA MET 76 -12.539 -18.777 9.466 569 HB2 MET 76 HB2 MET 76 -9.639 -18.324 10.294 570 HB3 MET 76 HB3 MET 76 -10.915 -17.123 10.467 571 HG2 MET 76 HG2 MET 76 -10.975 -19.843 11.788 572 HG3 MET 76 HG3 MET 76 -10.381 -18.377 12.557 573 HE1 MET 76 HE1 MET 76 -13.677 -16.199 12.735 574 HE2 MET 76 HE2 MET 76 -12.504 -16.171 11.422 575 HE3 MET 76 HE3 MET 76 -11.951 -16.245 13.097 576 H LEU 77 H LEU 77 -9.305 -18.861 7.954 577 HA LEU 77 HA LEU 77 -9.547 -16.640 6.245 578 HB2 LEU 77 HB2 LEU 77 -7.834 -19.124 6.240 579 HB3 LEU 77 HB3 LEU 77 -7.799 -18.090 4.828 580 HG LEU 77 HG LEU 77 -7.044 -16.181 6.213 581 HD11 LEU 77 HD11 LEU 77 -6.958 -18.156 8.505 582 HD12 LEU 77 HD12 LEU 77 -8.043 -16.773 8.358 583 HD13 LEU 77 HD13 LEU 77 -6.311 -16.515 8.529 584 HD21 LEU 77 HD21 LEU 77 -5.374 -17.598 5.090 585 HD22 LEU 77 HD22 LEU 77 -5.298 -18.658 6.502 586 HD23 LEU 77 HD23 LEU 77 -4.753 -16.982 6.620 587 H ASP 78 H ASP 78 -10.499 -19.997 5.750 588 HA ASP 78 HA ASP 78 -11.008 -19.833 2.942 589 HB2 ASP 78 HB2 ASP 78 -10.485 -21.960 4.272 590 HB3 ASP 78 HB3 ASP 78 -12.129 -21.894 4.903 591 H GLU 79 H GLU 79 -13.018 -19.730 5.846 592 HA GLU 79 HA GLU 79 -15.527 -19.360 4.593 593 HB2 GLU 79 HB2 GLU 79 -14.526 -18.936 7.413 594 HB3 GLU 79 HB3 GLU 79 -16.120 -18.348 6.953 595 HG2 GLU 79 HG2 GLU 79 -15.200 -21.229 6.713 596 HG3 GLU 79 HG3 GLU 79 -16.184 -20.572 8.014 597 H LYS 80 H LYS 80 -13.050 -17.089 5.697 598 HA LYS 80 HA LYS 80 -14.511 -14.697 5.392 599 HB2 LYS 80 HB2 LYS 80 -11.570 -15.376 5.521 600 HB3 LYS 80 HB3 LYS 80 -12.030 -13.752 5.018 601 HG2 LYS 80 HG2 LYS 80 -12.895 -15.057 7.617 602 HG3 LYS 80 HG3 LYS 80 -11.538 -13.943 7.452 603 HD2 LYS 80 HD2 LYS 80 -14.460 -13.287 6.864 604 HD3 LYS 80 HD3 LYS 80 -13.572 -12.809 8.314 605 HE2 LYS 80 HE2 LYS 80 -12.073 -11.405 6.971 606 HE3 LYS 80 HE3 LYS 80 -12.854 -11.956 5.483 607 HZ1 LYS 80 HZ1 LYS 80 -13.598 -9.768 6.263 608 HZ2 LYS 80 HZ2 LYS 80 -14.238 -10.494 7.644 609 HZ3 LYS 80 HZ3 LYS 80 -14.857 -10.885 6.123 610 H LEU 81 H LEU 81 -12.279 -16.347 3.124 611 HA LEU 81 HA LEU 81 -12.592 -14.637 0.918 612 HB2 LEU 81 HB2 LEU 81 -10.877 -16.459 1.195 613 HB3 LEU 81 HB3 LEU 81 -12.115 -17.650 0.878 614 HG LEU 81 HG LEU 81 -10.478 -17.112 -1.024 615 HD11 LEU 81 HD11 LEU 81 -12.096 -17.298 -2.823 616 HD12 LEU 81 HD12 LEU 81 -13.404 -16.856 -1.722 617 HD13 LEU 81 HD13 LEU 81 -12.510 -18.356 -1.476 618 HD21 LEU 81 HD21 LEU 81 -10.879 -15.143 -2.412 619 HD22 LEU 81 HD22 LEU 81 -10.410 -14.682 -0.778 620 HD23 LEU 81 HD23 LEU 81 -12.100 -14.563 -1.274 621 H LYS 82 H LYS 82 -14.426 -17.434 1.968 622 HA LYS 82 HA LYS 82 -16.324 -17.637 -0.098 623 HB2 LYS 82 HB2 LYS 82 -15.884 -19.490 1.361 624 HB3 LYS 82 HB3 LYS 82 -16.231 -18.554 2.798 625 HG2 LYS 82 HG2 LYS 82 -18.437 -19.160 0.819 626 HG3 LYS 82 HG3 LYS 82 -17.910 -20.387 1.975 627 HD2 LYS 82 HD2 LYS 82 -18.335 -18.556 3.797 628 HD3 LYS 82 HD3 LYS 82 -19.228 -17.700 2.534 629 HE2 LYS 82 HE2 LYS 82 -20.792 -18.992 3.854 630 HE3 LYS 82 HE3 LYS 82 -20.670 -19.752 2.265 631 HZ1 LYS 82 HZ1 LYS 82 -19.209 -20.623 4.695 632 HZ2 LYS 82 HZ2 LYS 82 -19.168 -21.377 3.184 633 HZ3 LYS 82 HZ3 LYS 82 -20.601 -21.356 4.077 634 H GLN 83 H GLN 83 -16.325 -15.669 2.909 635 HA GLN 83 HA GLN 83 -19.058 -14.794 2.732 636 HB2 GLN 83 HB2 GLN 83 -16.700 -13.721 4.348 637 HB3 GLN 83 HB3 GLN 83 -18.347 -13.103 4.495 638 HG2 GLN 83 HG2 GLN 83 -19.117 -15.258 5.305 639 HG3 GLN 83 HG3 GLN 83 -17.531 -15.957 5.044 640 HE21 GLN 83 HE21 GLN 83 -19.374 -13.767 7.074 641 HE22 GLN 83 HE22 GLN 83 -18.230 -13.710 8.367 642 H HIS 84 H HIS 84 -15.946 -13.585 1.673 643 HA HIS 84 HA HIS 84 -16.608 -11.010 0.752 644 HB2 HIS 84 HB2 HIS 84 -14.290 -11.827 1.014 645 HB3 HIS 84 HB3 HIS 84 -14.533 -13.014 -0.254 646 HD1 HIS 84 HD1 HIS 84 -13.613 -9.473 0.329 647 HD2 HIS 84 HD2 HIS 84 -14.569 -11.890 -2.913 648 HE1 HIS 84 HE1 HIS 84 -12.813 -8.232 -1.700 649 HE2 HIS 84 HE2 HIS 84 -13.280 -9.768 -3.624 650 H LEU 85 H LEU 85 -16.779 -14.205 -0.798 651 HA LEU 85 HA LEU 85 -17.742 -13.241 -3.349 652 HB2 LEU 85 HB2 LEU 85 -17.619 -16.053 -2.204 653 HB3 LEU 85 HB3 LEU 85 -18.024 -15.670 -3.874 654 HG LEU 85 HG LEU 85 -15.337 -15.182 -2.517 655 HD11 LEU 85 HD11 LEU 85 -16.106 -17.159 -4.687 656 HD12 LEU 85 HD12 LEU 85 -15.746 -17.538 -2.999 657 HD13 LEU 85 HD13 LEU 85 -14.483 -16.893 -4.040 658 HD21 LEU 85 HD21 LEU 85 -16.146 -14.583 -5.389 659 HD22 LEU 85 HD22 LEU 85 -14.515 -14.462 -4.722 660 HD23 LEU 85 HD23 LEU 85 -15.782 -13.395 -4.132 661 H ALA 86 H ALA 86 -19.217 -14.650 -0.451 662 HA ALA 86 HA ALA 86 -21.806 -15.189 -1.543 663 HB1 ALA 86 HB1 ALA 86 -22.486 -15.610 0.787 664 HB2 ALA 86 HB2 ALA 86 -20.982 -14.885 1.372 665 HB3 ALA 86 HB3 ALA 86 -20.935 -16.379 0.434 666 H SER 87 H SER 87 -20.424 -12.499 0.281 667 HA SER 87 HA SER 87 -22.845 -10.908 0.300 668 HB2 SER 87 HB2 SER 87 -21.167 -10.751 2.144 669 HB3 SER 87 HB3 SER 87 -19.969 -10.143 1.005 670 HG SER 87 HG SER 87 -22.066 -8.580 0.732 671 H GLY 88 H GLY 88 -20.072 -11.380 -1.774 672 HA2 GLY 88 HA2 GLY 88 -19.456 -10.479 -3.804 673 HA3 GLY 88 HA3 GLY 88 -21.018 -9.674 -3.873 674 H GLY 89 H GLY 89 -18.888 -9.267 -1.164 675 HA2 GLY 89 HA2 GLY 89 -18.737 -6.387 -1.590 676 HA3 GLY 89 HA3 GLY 89 -18.293 -7.270 -0.140 677 H ASP 90 H ASP 90 -17.268 -6.173 -3.260 678 HA ASP 90 HA ASP 90 -14.452 -6.859 -2.650 679 HB2 ASP 90 HB2 ASP 90 -15.412 -8.185 -4.559 680 HB3 ASP 90 HB3 ASP 90 -15.724 -6.685 -5.420 Start of MODEL 12 1 H ARG 11 H ARG 11 11.278 -17.405 -12.545 2 HA ARG 11 HA ARG 11 13.462 -18.011 -11.796 3 HB2 ARG 11 HB2 ARG 11 14.352 -17.084 -14.556 4 HB3 ARG 11 HB3 ARG 11 15.452 -17.361 -13.211 5 HG2 ARG 11 HG2 ARG 11 13.691 -19.485 -14.495 6 HG3 ARG 11 HG3 ARG 11 15.410 -19.246 -14.819 7 HD2 ARG 11 HD2 ARG 11 15.832 -19.681 -12.349 8 HD3 ARG 11 HD3 ARG 11 14.129 -20.128 -12.213 9 HE ARG 11 HE ARG 11 14.585 -21.915 -13.860 10 HH11 ARG 11 HH11 ARG 11 17.325 -20.646 -12.058 11 HH12 ARG 11 HH12 ARG 11 18.266 -22.091 -12.240 12 HH21 ARG 11 HH21 ARG 11 15.832 -23.806 -14.094 13 HH22 ARG 11 HH22 ARG 11 17.418 -23.882 -13.392 14 HA PRO 12 HA PRO 12 14.132 -13.273 -11.774 15 HB2 PRO 12 HB2 PRO 12 13.307 -11.576 -13.663 16 HB3 PRO 12 HB3 PRO 12 14.652 -12.684 -13.991 17 HG2 PRO 12 HG2 PRO 12 11.755 -12.920 -14.800 18 HG3 PRO 12 HG3 PRO 12 13.214 -13.218 -15.771 19 HD2 PRO 12 HD2 PRO 12 11.739 -15.206 -14.467 20 HD3 PRO 12 HD3 PRO 12 13.432 -15.376 -14.973 21 H LEU 13 H LEU 13 11.781 -14.635 -10.802 22 HA LEU 13 HA LEU 13 10.021 -12.338 -10.145 23 HB2 LEU 13 HB2 LEU 13 9.078 -14.126 -11.838 24 HB3 LEU 13 HB3 LEU 13 8.943 -15.173 -10.440 25 HG LEU 13 HG LEU 13 7.534 -12.468 -10.637 26 HD11 LEU 13 HD11 LEU 13 6.748 -13.895 -12.473 27 HD12 LEU 13 HD12 LEU 13 5.490 -13.680 -11.261 28 HD13 LEU 13 HD13 LEU 13 6.388 -15.200 -11.337 29 HD21 LEU 13 HD21 LEU 13 7.748 -13.303 -8.330 30 HD22 LEU 13 HD22 LEU 13 6.998 -14.831 -8.797 31 HD23 LEU 13 HD23 LEU 13 6.065 -13.332 -8.858 32 HA PRO 14 HA PRO 14 11.609 -14.344 -6.241 33 HB2 PRO 14 HB2 PRO 14 12.852 -12.255 -5.113 34 HB3 PRO 14 HB3 PRO 14 13.593 -13.098 -6.484 35 HG2 PRO 14 HG2 PRO 14 12.010 -10.523 -6.473 36 HG3 PRO 14 HG3 PRO 14 13.561 -10.864 -7.273 37 HD2 PRO 14 HD2 PRO 14 11.106 -10.972 -8.556 38 HD3 PRO 14 HD3 PRO 14 12.531 -11.895 -9.081 39 H VAL 15 H VAL 15 9.536 -11.680 -6.951 40 HA VAL 15 HA VAL 15 8.838 -10.924 -4.270 41 HB VAL 15 HB VAL 15 7.128 -9.455 -5.334 42 HG11 VAL 15 HG11 VAL 15 9.869 -9.304 -6.665 43 HG12 VAL 15 HG12 VAL 15 9.434 -8.616 -5.098 44 HG13 VAL 15 HG13 VAL 15 8.702 -7.981 -6.572 45 HG21 VAL 15 HG21 VAL 15 6.441 -10.894 -7.224 46 HG22 VAL 15 HG22 VAL 15 8.026 -10.700 -7.973 47 HG23 VAL 15 HG23 VAL 15 6.949 -9.308 -7.818 48 H CYS 16 H CYS 16 6.875 -11.236 -3.213 49 HA CYS 16 HA CYS 16 5.536 -13.738 -3.602 50 HB2 CYS 16 HB2 CYS 16 4.844 -11.420 -1.742 51 HB3 CYS 16 HB3 CYS 16 4.208 -13.061 -1.625 52 HG CYS 16 HG CYS 16 6.578 -14.234 -0.896 53 HA PRO 17 HA PRO 17 2.187 -11.902 -6.142 54 HB2 PRO 17 HB2 PRO 17 0.867 -14.517 -6.211 55 HB3 PRO 17 HB3 PRO 17 1.735 -13.697 -7.510 56 HG2 PRO 17 HG2 PRO 17 2.638 -16.002 -6.293 57 HG3 PRO 17 HG3 PRO 17 3.695 -14.824 -7.095 58 HD2 PRO 17 HD2 PRO 17 3.108 -15.143 -4.148 59 HD3 PRO 17 HD3 PRO 17 4.660 -14.839 -4.970 60 H ASN 18 H ASN 18 1.704 -10.747 -4.146 61 HA ASN 18 HA ASN 18 0.526 -11.862 -1.862 62 HB2 ASN 18 HB2 ASN 18 0.651 -8.957 -2.780 63 HB3 ASN 18 HB3 ASN 18 0.139 -9.456 -1.175 64 HD21 ASN 18 HD21 ASN 18 1.700 -10.417 0.227 65 HD22 ASN 18 HD22 ASN 18 3.386 -10.122 0.014 66 HA PRO 19 HA PRO 19 -3.859 -11.601 -3.211 67 HB2 PRO 19 HB2 PRO 19 -4.786 -13.727 -1.904 68 HB3 PRO 19 HB3 PRO 19 -3.668 -13.959 -3.260 69 HG2 PRO 19 HG2 PRO 19 -3.108 -14.066 -0.299 70 HG3 PRO 19 HG3 PRO 19 -2.504 -15.119 -1.594 71 HD2 PRO 19 HD2 PRO 19 -1.132 -12.903 -0.495 72 HD3 PRO 19 HD3 PRO 19 -0.727 -13.726 -2.018 73 H LEU 20 H LEU 20 -5.928 -12.023 -1.569 74 HA LEU 20 HA LEU 20 -6.034 -9.860 0.249 75 HB2 LEU 20 HB2 LEU 20 -7.855 -12.271 -0.071 76 HB3 LEU 20 HB3 LEU 20 -8.239 -10.890 0.949 77 HG LEU 20 HG LEU 20 -7.845 -10.751 -2.075 78 HD11 LEU 20 HD11 LEU 20 -10.424 -10.707 -0.469 79 HD12 LEU 20 HD12 LEU 20 -9.867 -12.015 -1.517 80 HD13 LEU 20 HD13 LEU 20 -10.280 -10.449 -2.211 81 HD21 LEU 20 HD21 LEU 20 -8.757 -8.465 -1.870 82 HD22 LEU 20 HD22 LEU 20 -7.258 -8.644 -0.963 83 HD23 LEU 20 HD23 LEU 20 -8.806 -8.634 -0.112 84 H PHE 21 H PHE 21 -5.055 -13.157 0.662 85 HA PHE 21 HA PHE 21 -5.710 -13.551 3.379 86 HB2 PHE 21 HB2 PHE 21 -3.564 -14.913 1.705 87 HB3 PHE 21 HB3 PHE 21 -4.185 -15.506 3.245 88 HD1 PHE 21 HD1 PHE 21 -6.854 -15.740 3.312 89 HD2 PHE 21 HD2 PHE 21 -4.496 -15.855 -0.239 90 HE1 PHE 21 HE1 PHE 21 -8.635 -16.980 2.172 91 HE2 PHE 21 HE2 PHE 21 -6.287 -17.093 -1.378 92 HZ PHE 21 HZ PHE 21 -8.350 -17.660 -0.172 93 H VAL 22 H VAL 22 -2.770 -12.191 1.845 94 HA VAL 22 HA VAL 22 -1.175 -12.309 4.216 95 HB VAL 22 HB VAL 22 0.426 -10.756 3.140 96 HG11 VAL 22 HG11 VAL 22 -0.510 -12.965 1.270 97 HG12 VAL 22 HG12 VAL 22 0.607 -13.147 2.625 98 HG13 VAL 22 HG13 VAL 22 1.075 -12.183 1.223 99 HG21 VAL 22 HG21 VAL 22 0.082 -9.935 0.826 100 HG22 VAL 22 HG22 VAL 22 -1.108 -9.259 1.940 101 HG23 VAL 22 HG23 VAL 22 -1.567 -10.568 0.850 102 H ARG 23 H ARG 23 -3.156 -9.662 2.784 103 HA ARG 23 HA ARG 23 -2.459 -7.725 4.774 104 HB2 ARG 23 HB2 ARG 23 -4.303 -6.350 3.928 105 HB3 ARG 23 HB3 ARG 23 -3.350 -6.987 2.596 106 HG2 ARG 23 HG2 ARG 23 -5.062 -8.395 1.847 107 HG3 ARG 23 HG3 ARG 23 -5.850 -8.461 3.422 108 HD2 ARG 23 HD2 ARG 23 -5.791 -5.997 1.640 109 HD3 ARG 23 HD3 ARG 23 -7.127 -7.153 1.716 110 HE ARG 23 HE ARG 23 -6.803 -6.440 4.313 111 HH11 ARG 23 HH11 ARG 23 -7.248 -4.483 1.419 112 HH12 ARG 23 HH12 ARG 23 -8.074 -3.218 2.270 113 HH21 ARG 23 HH21 ARG 23 -7.842 -4.784 5.396 114 HH22 ARG 23 HH22 ARG 23 -8.400 -3.383 4.533 115 H TRP 24 H TRP 24 -4.956 -10.182 4.529 116 HA TRP 24 HA TRP 24 -6.588 -9.334 6.691 117 HB2 TRP 24 HB2 TRP 24 -6.278 -12.001 5.266 118 HB3 TRP 24 HB3 TRP 24 -7.355 -11.823 6.642 119 HD1 TRP 24 HD1 TRP 24 -7.931 -8.654 5.194 120 HE1 TRP 24 HE1 TRP 24 -9.855 -8.645 3.500 121 HE3 TRP 24 HE3 TRP 24 -8.324 -13.704 4.284 122 HZ2 TRP 24 HZ2 TRP 24 -11.356 -10.471 2.006 123 HZ3 TRP 24 HZ3 TRP 24 -10.040 -14.476 2.712 124 HH2 TRP 24 HH2 TRP 24 -11.530 -12.891 1.593 125 H LEU 25 H LEU 25 -3.974 -11.791 6.523 126 HA LEU 25 HA LEU 25 -4.010 -12.492 9.274 127 HB2 LEU 25 HB2 LEU 25 -1.778 -12.695 7.221 128 HB3 LEU 25 HB3 LEU 25 -1.703 -13.422 8.824 129 HG LEU 25 HG LEU 25 -3.759 -14.128 6.688 130 HD11 LEU 25 HD11 LEU 25 -1.346 -15.720 7.595 131 HD12 LEU 25 HD12 LEU 25 -1.521 -14.887 6.047 132 HD13 LEU 25 HD13 LEU 25 -2.576 -16.242 6.440 133 HD21 LEU 25 HD21 LEU 25 -4.650 -14.422 8.948 134 HD22 LEU 25 HD22 LEU 25 -3.247 -15.398 9.398 135 HD23 LEU 25 HD23 LEU 25 -4.380 -15.984 8.176 136 H THR 26 H THR 26 -2.442 -9.876 7.535 137 HA THR 26 HA THR 26 -0.656 -9.016 9.594 138 HB THR 26 HB THR 26 -1.813 -7.489 7.219 139 HG1 THR 26 HG1 THR 26 -0.359 -9.428 6.959 140 HG21 THR 26 HG21 THR 26 0.544 -6.752 8.997 141 HG22 THR 26 HG22 THR 26 -0.990 -5.886 8.898 142 HG23 THR 26 HG23 THR 26 0.091 -5.925 7.505 143 H GLU 27 H GLU 27 -3.932 -7.932 8.588 144 HA GLU 27 HA GLU 27 -4.008 -5.788 10.504 145 HB2 GLU 27 HB2 GLU 27 -6.284 -5.366 9.727 146 HB3 GLU 27 HB3 GLU 27 -5.230 -5.649 8.348 147 HG2 GLU 27 HG2 GLU 27 -6.129 -7.979 8.201 148 HG3 GLU 27 HG3 GLU 27 -7.244 -7.604 9.513 149 H TRP 28 H TRP 28 -5.405 -9.072 10.377 150 HA TRP 28 HA TRP 28 -6.857 -8.960 12.798 151 HB2 TRP 28 HB2 TRP 28 -5.618 -11.383 11.434 152 HB3 TRP 28 HB3 TRP 28 -6.762 -11.463 12.768 153 HD1 TRP 28 HD1 TRP 28 -8.717 -9.092 11.389 154 HE1 TRP 28 HE1 TRP 28 -10.263 -9.879 9.493 155 HE3 TRP 28 HE3 TRP 28 -6.315 -13.430 10.115 156 HZ2 TRP 28 HZ2 TRP 28 -10.452 -12.037 7.706 157 HZ3 TRP 28 HZ3 TRP 28 -7.251 -14.807 8.307 158 HH2 TRP 28 HH2 TRP 28 -9.280 -14.125 7.125 159 H ARG 29 H ARG 29 -3.484 -9.764 12.071 160 HA ARG 29 HA ARG 29 -2.566 -10.744 14.518 161 HB2 ARG 29 HB2 ARG 29 -1.215 -10.762 12.471 162 HB3 ARG 29 HB3 ARG 29 -1.185 -9.007 12.421 163 HG2 ARG 29 HG2 ARG 29 0.148 -9.062 14.570 164 HG3 ARG 29 HG3 ARG 29 0.236 -10.818 14.392 165 HD2 ARG 29 HD2 ARG 29 2.272 -9.808 13.531 166 HD3 ARG 29 HD3 ARG 29 1.361 -10.500 12.186 167 HE ARG 29 HE ARG 29 0.776 -7.712 12.608 168 HH11 ARG 29 HH11 ARG 29 3.068 -9.871 11.049 169 HH12 ARG 29 HH12 ARG 29 3.620 -8.667 9.938 170 HH21 ARG 29 HH21 ARG 29 1.522 -6.155 11.160 171 HH22 ARG 29 HH22 ARG 29 2.754 -6.553 10.002 172 H ASP 30 H ASP 30 -2.523 -7.368 13.351 173 HA ASP 30 HA ASP 30 -1.331 -6.416 15.809 174 HB2 ASP 30 HB2 ASP 30 -2.215 -4.982 13.285 175 HB3 ASP 30 HB3 ASP 30 -1.370 -4.198 14.612 176 H GLU 31 H GLU 31 -4.532 -6.176 14.295 177 HA GLU 31 HA GLU 31 -5.687 -4.435 16.241 178 HB2 GLU 31 HB2 GLU 31 -6.972 -6.362 14.277 179 HB3 GLU 31 HB3 GLU 31 -7.899 -5.294 15.329 180 HG2 GLU 31 HG2 GLU 31 -6.865 -3.330 14.262 181 HG3 GLU 31 HG3 GLU 31 -5.912 -4.387 13.218 182 H ALA 32 H ALA 32 -5.240 -7.943 16.098 183 HA ALA 32 HA ALA 32 -6.944 -8.702 18.247 184 HB1 ALA 32 HB1 ALA 32 -5.966 -10.378 16.729 185 HB2 ALA 32 HB2 ALA 32 -5.553 -10.750 18.403 186 HB3 ALA 32 HB3 ALA 32 -4.351 -10.013 17.338 187 H ALA 33 H ALA 33 -3.482 -7.882 18.142 188 HA ALA 33 HA ALA 33 -2.901 -8.053 20.902 189 HB1 ALA 33 HB1 ALA 33 -0.915 -6.688 20.356 190 HB2 ALA 33 HB2 ALA 33 -1.617 -6.304 18.778 191 HB3 ALA 33 HB3 ALA 33 -1.172 -7.966 19.168 192 H SER 34 H SER 34 -4.092 -5.399 18.911 193 HA SER 34 HA SER 34 -3.996 -3.337 20.872 194 HB2 SER 34 HB2 SER 34 -4.017 -2.942 18.402 195 HB3 SER 34 HB3 SER 34 -5.687 -3.507 18.341 196 HG SER 34 HG SER 34 -4.776 -1.303 19.892 197 H ARG 35 H ARG 35 -6.368 -5.787 20.046 198 HA ARG 35 HA ARG 35 -8.560 -4.602 21.566 199 HB2 ARG 35 HB2 ARG 35 -8.887 -5.864 19.406 200 HB3 ARG 35 HB3 ARG 35 -8.386 -7.341 20.220 201 HG2 ARG 35 HG2 ARG 35 -10.344 -7.270 21.665 202 HG3 ARG 35 HG3 ARG 35 -10.803 -5.683 21.040 203 HD2 ARG 35 HD2 ARG 35 -11.124 -6.701 18.784 204 HD3 ARG 35 HD3 ARG 35 -10.741 -8.285 19.464 205 HE ARG 35 HE ARG 35 -12.774 -7.656 21.014 206 HH11 ARG 35 HH11 ARG 35 -12.541 -6.991 17.574 207 HH12 ARG 35 HH12 ARG 35 -14.236 -7.220 17.293 208 HH21 ARG 35 HH21 ARG 35 -14.991 -7.975 20.629 209 HH22 ARG 35 HH22 ARG 35 -15.623 -7.778 19.027 210 H GLY 36 H GLY 36 -6.021 -6.967 22.033 211 HA2 GLY 36 HA2 GLY 36 -5.424 -7.271 24.456 212 HA3 GLY 36 HA3 GLY 36 -7.100 -7.734 24.702 213 H ARG 37 H ARG 37 -7.011 -9.121 22.008 214 HA ARG 37 HA ARG 37 -6.604 -11.764 22.842 215 HB2 ARG 37 HB2 ARG 37 -6.603 -10.649 20.003 216 HB3 ARG 37 HB3 ARG 37 -6.751 -12.355 20.411 217 HG2 ARG 37 HG2 ARG 37 -8.748 -10.188 21.149 218 HG3 ARG 37 HG3 ARG 37 -8.906 -11.313 19.795 219 HD2 ARG 37 HD2 ARG 37 -8.910 -13.207 21.424 220 HD3 ARG 37 HD3 ARG 37 -8.853 -12.032 22.746 221 HE ARG 37 HE ARG 37 -11.051 -11.825 20.816 222 HH11 ARG 37 HH11 ARG 37 -10.074 -12.760 24.060 223 HH12 ARG 37 HH12 ARG 37 -11.702 -12.874 24.637 224 HH21 ARG 37 HH21 ARG 37 -13.162 -11.953 21.587 225 HH22 ARG 37 HH22 ARG 37 -13.463 -12.391 23.238 226 H HIS 38 H HIS 38 -4.861 -13.097 22.867 227 HA HIS 38 HA HIS 38 -2.218 -12.162 22.034 228 HB2 HIS 38 HB2 HIS 38 -3.016 -14.774 23.395 229 HB3 HIS 38 HB3 HIS 38 -1.372 -14.174 23.188 230 HD1 HIS 38 HD1 HIS 38 -3.775 -14.442 25.722 231 HD2 HIS 38 HD2 HIS 38 -1.274 -11.364 24.483 232 HE1 HIS 38 HE1 HIS 38 -3.656 -12.858 27.663 233 HE2 HIS 38 HE2 HIS 38 -1.952 -11.141 26.971 234 H THR 39 H THR 39 -4.696 -13.351 20.369 235 HA THR 39 HA THR 39 -3.578 -15.414 18.773 236 HB THR 39 HB THR 39 -5.435 -14.802 17.145 237 HG1 THR 39 HG1 THR 39 -6.806 -13.145 17.664 238 HG21 THR 39 HG21 THR 39 -7.292 -15.502 18.603 239 HG22 THR 39 HG22 THR 39 -6.330 -15.145 20.038 240 HG23 THR 39 HG23 THR 39 -5.852 -16.457 18.957 241 H ARG 40 H ARG 40 -2.656 -12.174 19.013 242 HA ARG 40 HA ARG 40 -1.953 -11.333 16.488 243 HB2 ARG 40 HB2 ARG 40 -1.441 -10.005 18.565 244 HB3 ARG 40 HB3 ARG 40 -0.139 -11.133 18.956 245 HG2 ARG 40 HG2 ARG 40 0.948 -10.540 16.755 246 HG3 ARG 40 HG3 ARG 40 -0.309 -9.336 16.511 247 HD2 ARG 40 HD2 ARG 40 0.569 -8.327 18.761 248 HD3 ARG 40 HD3 ARG 40 2.001 -9.315 18.444 249 HE ARG 40 HE ARG 40 1.094 -7.651 16.227 250 HH11 ARG 40 HH11 ARG 40 3.368 -7.870 18.898 251 HH12 ARG 40 HH12 ARG 40 4.341 -6.560 18.317 252 HH21 ARG 40 HH21 ARG 40 2.392 -5.966 15.482 253 HH22 ARG 40 HH22 ARG 40 3.791 -5.484 16.391 254 H PHE 41 H PHE 41 -0.339 -13.689 18.562 255 HA PHE 41 HA PHE 41 2.030 -13.972 17.006 256 HB2 PHE 41 HB2 PHE 41 0.911 -15.806 19.164 257 HB3 PHE 41 HB3 PHE 41 2.566 -15.816 18.559 258 HD1 PHE 41 HD1 PHE 41 3.881 -13.528 18.772 259 HD2 PHE 41 HD2 PHE 41 0.429 -14.522 21.091 260 HE1 PHE 41 HE1 PHE 41 4.522 -11.856 20.458 261 HE2 PHE 41 HE2 PHE 41 1.073 -12.842 22.767 262 HZ PHE 41 HZ PHE 41 3.121 -11.510 22.450 263 H VAL 42 H VAL 42 -1.054 -15.789 17.079 264 HA VAL 42 HA VAL 42 -0.030 -17.932 15.423 265 HB VAL 42 HB VAL 42 -1.888 -18.299 17.083 266 HG11 VAL 42 HG11 VAL 42 -4.221 -17.779 16.480 267 HG12 VAL 42 HG12 VAL 42 -3.663 -16.901 15.054 268 HG13 VAL 42 HG13 VAL 42 -3.264 -16.305 16.665 269 HG21 VAL 42 HG21 VAL 42 -3.139 -19.905 15.675 270 HG22 VAL 42 HG22 VAL 42 -1.406 -19.959 15.341 271 HG23 VAL 42 HG23 VAL 42 -2.492 -19.129 14.225 272 H PHE 43 H PHE 43 -1.971 -14.997 14.860 273 HA PHE 43 HA PHE 43 -2.297 -15.341 12.031 274 HB2 PHE 43 HB2 PHE 43 -2.431 -12.861 13.800 275 HB3 PHE 43 HB3 PHE 43 -2.751 -12.814 12.073 276 HD1 PHE 43 HD1 PHE 43 -4.460 -14.943 11.414 277 HD2 PHE 43 HD2 PHE 43 -4.420 -12.706 15.054 278 HE1 PHE 43 HE1 PHE 43 -6.826 -15.488 11.777 279 HE2 PHE 43 HE2 PHE 43 -6.791 -13.264 15.416 280 HZ PHE 43 HZ PHE 43 -7.996 -14.660 13.778 281 H GLN 44 H GLN 44 0.257 -14.106 14.067 282 HA GLN 44 HA GLN 44 1.824 -12.694 12.167 283 HB2 GLN 44 HB2 GLN 44 2.094 -12.405 14.590 284 HB3 GLN 44 HB3 GLN 44 2.584 -14.083 14.767 285 HG2 GLN 44 HG2 GLN 44 4.632 -13.563 13.397 286 HG3 GLN 44 HG3 GLN 44 4.148 -11.866 13.408 287 HE21 GLN 44 HE21 GLN 44 5.336 -14.527 15.350 288 HE22 GLN 44 HE22 GLN 44 5.846 -13.575 16.699 289 H LYS 45 H LYS 45 2.150 -16.010 13.495 290 HA LYS 45 HA LYS 45 4.368 -16.692 11.794 291 HB2 LYS 45 HB2 LYS 45 4.179 -18.951 12.754 292 HB3 LYS 45 HB3 LYS 45 4.152 -17.714 14.004 293 HG2 LYS 45 HG2 LYS 45 1.742 -17.962 14.277 294 HG3 LYS 45 HG3 LYS 45 1.669 -19.107 12.935 295 HD2 LYS 45 HD2 LYS 45 3.182 -19.557 15.543 296 HD3 LYS 45 HD3 LYS 45 1.583 -20.210 15.174 297 HE2 LYS 45 HE2 LYS 45 2.567 -21.461 13.257 298 HE3 LYS 45 HE3 LYS 45 4.163 -20.845 13.694 299 HZ1 LYS 45 HZ1 LYS 45 3.763 -23.075 14.520 300 HZ2 LYS 45 HZ2 LYS 45 2.440 -22.534 15.418 301 HZ3 LYS 45 HZ3 LYS 45 4.000 -21.993 15.796 302 H ALA 46 H ALA 46 0.892 -17.133 11.607 303 HA ALA 46 HA ALA 46 0.698 -18.893 9.405 304 HB1 ALA 46 HB1 ALA 46 -1.554 -17.923 9.087 305 HB2 ALA 46 HB2 ALA 46 -1.140 -16.594 10.175 306 HB3 ALA 46 HB3 ALA 46 -1.238 -18.242 10.795 307 H LEU 47 H LEU 47 0.898 -15.368 9.624 308 HA LEU 47 HA LEU 47 0.839 -14.712 6.877 309 HB2 LEU 47 HB2 LEU 47 0.384 -13.066 8.625 310 HB3 LEU 47 HB3 LEU 47 2.001 -13.257 9.278 311 HG LEU 47 HG LEU 47 2.945 -12.255 7.190 312 HD11 LEU 47 HD11 LEU 47 0.054 -11.735 6.430 313 HD12 LEU 47 HD12 LEU 47 1.179 -12.817 5.600 314 HD13 LEU 47 HD13 LEU 47 1.478 -11.081 5.613 315 HD21 LEU 47 HD21 LEU 47 2.567 -10.855 9.166 316 HD22 LEU 47 HD22 LEU 47 0.923 -10.502 8.625 317 HD23 LEU 47 HD23 LEU 47 2.304 -9.939 7.682 318 H ARG 48 H ARG 48 3.578 -15.111 9.121 319 HA ARG 48 HA ARG 48 5.695 -14.496 7.386 320 HB2 ARG 48 HB2 ARG 48 5.605 -16.295 9.840 321 HB3 ARG 48 HB3 ARG 48 7.104 -15.840 9.036 322 HG2 ARG 48 HG2 ARG 48 5.229 -13.697 10.054 323 HG3 ARG 48 HG3 ARG 48 6.299 -14.540 11.170 324 HD2 ARG 48 HD2 ARG 48 7.315 -12.435 10.444 325 HD3 ARG 48 HD3 ARG 48 8.262 -13.804 9.868 326 HE ARG 48 HE ARG 48 6.499 -13.046 7.822 327 HH11 ARG 48 HH11 ARG 48 9.197 -11.597 9.525 328 HH12 ARG 48 HH12 ARG 48 9.800 -10.782 8.120 329 HH21 ARG 48 HH21 ARG 48 7.303 -11.961 5.992 330 HH22 ARG 48 HH22 ARG 48 8.731 -10.985 6.126 331 H SER 49 H SER 49 4.093 -17.571 8.084 332 HA SER 49 HA SER 49 5.707 -19.260 6.481 333 HB2 SER 49 HB2 SER 49 4.146 -20.110 8.228 334 HB3 SER 49 HB3 SER 49 2.774 -19.605 7.242 335 HG SER 49 HG SER 49 4.240 -21.080 5.661 336 H LEU 50 H LEU 50 2.708 -17.452 5.821 337 HA LEU 50 HA LEU 50 2.158 -18.468 3.239 338 HB2 LEU 50 HB2 LEU 50 0.491 -17.361 4.677 339 HB3 LEU 50 HB3 LEU 50 1.363 -15.844 4.563 340 HG LEU 50 HG LEU 50 0.782 -15.653 2.171 341 HD11 LEU 50 HD11 LEU 50 0.715 -18.022 1.544 342 HD12 LEU 50 HD12 LEU 50 -0.777 -17.203 1.089 343 HD13 LEU 50 HD13 LEU 50 -0.746 -18.250 2.510 344 HD21 LEU 50 HD21 LEU 50 -0.745 -14.692 3.838 345 HD22 LEU 50 HD22 LEU 50 -1.644 -16.210 3.909 346 HD23 LEU 50 HD23 LEU 50 -1.627 -15.262 2.421 347 H GLN 51 H GLN 51 4.036 -15.664 4.330 348 HA GLN 51 HA GLN 51 4.449 -14.418 1.800 349 HB2 GLN 51 HB2 GLN 51 6.065 -14.224 4.381 350 HB3 GLN 51 HB3 GLN 51 6.272 -13.157 2.994 351 HG2 GLN 51 HG2 GLN 51 4.048 -12.231 3.308 352 HG3 GLN 51 HG3 GLN 51 3.696 -13.406 4.574 353 HE21 GLN 51 HE21 GLN 51 5.441 -10.471 3.794 354 HE22 GLN 51 HE22 GLN 51 5.829 -10.041 5.422 355 H ARG 52 H ARG 52 6.344 -16.777 3.698 356 HA ARG 52 HA ARG 52 8.548 -16.839 1.792 357 HB2 ARG 52 HB2 ARG 52 9.647 -18.316 3.314 358 HB3 ARG 52 HB3 ARG 52 8.763 -17.188 4.339 359 HG2 ARG 52 HG2 ARG 52 6.965 -18.897 4.616 360 HG3 ARG 52 HG3 ARG 52 7.912 -20.018 3.642 361 HD2 ARG 52 HD2 ARG 52 9.761 -19.742 5.395 362 HD3 ARG 52 HD3 ARG 52 8.539 -18.946 6.400 363 HE ARG 52 HE ARG 52 7.893 -21.591 5.309 364 HH11 ARG 52 HH11 ARG 52 8.758 -19.743 8.163 365 HH12 ARG 52 HH12 ARG 52 8.455 -21.061 9.246 366 HH21 ARG 52 HH21 ARG 52 7.514 -23.304 6.722 367 HH22 ARG 52 HH22 ARG 52 7.753 -23.081 8.426 368 H TYR 53 H TYR 53 5.506 -18.441 2.099 369 HA TYR 53 HA TYR 53 6.249 -21.031 1.074 370 HB2 TYR 53 HB2 TYR 53 4.317 -20.501 2.681 371 HB3 TYR 53 HB3 TYR 53 3.437 -19.880 1.295 372 HD1 TYR 53 HD1 TYR 53 5.537 -22.985 1.746 373 HD2 TYR 53 HD2 TYR 53 1.661 -21.394 0.897 374 HE1 TYR 53 HE1 TYR 53 4.680 -25.261 1.381 375 HE2 TYR 53 HE2 TYR 53 0.818 -23.671 0.549 376 HH TYR 53 HH TYR 53 1.670 -25.896 -0.041 377 HA PRO 54 HA PRO 54 6.202 -19.424 -3.175 378 HB2 PRO 54 HB2 PRO 54 7.171 -21.593 -4.459 379 HB3 PRO 54 HB3 PRO 54 8.183 -20.668 -3.338 380 HG2 PRO 54 HG2 PRO 54 6.641 -23.222 -2.817 381 HG3 PRO 54 HG3 PRO 54 8.340 -22.856 -2.446 382 HD2 PRO 54 HD2 PRO 54 6.366 -22.640 -0.574 383 HD3 PRO 54 HD3 PRO 54 7.796 -21.581 -0.575 384 H LEU 55 H LEU 55 4.335 -22.105 -2.055 385 HA LEU 55 HA LEU 55 2.853 -22.668 -4.456 386 HB2 LEU 55 HB2 LEU 55 3.341 -24.233 -2.430 387 HB3 LEU 55 HB3 LEU 55 2.076 -23.369 -1.604 388 HG LEU 55 HG LEU 55 1.346 -25.571 -2.462 389 HD11 LEU 55 HD11 LEU 55 -0.770 -24.939 -3.451 390 HD12 LEU 55 HD12 LEU 55 -0.159 -23.324 -3.816 391 HD13 LEU 55 HD13 LEU 55 -0.352 -23.837 -2.139 392 HD21 LEU 55 HD21 LEU 55 1.822 -24.431 -5.230 393 HD22 LEU 55 HD22 LEU 55 1.053 -25.977 -4.861 394 HD23 LEU 55 HD23 LEU 55 2.746 -25.717 -4.449 395 HA PRO 56 HA PRO 56 0.212 -18.976 -3.760 396 HB2 PRO 56 HB2 PRO 56 -1.360 -19.212 -5.994 397 HB3 PRO 56 HB3 PRO 56 0.305 -18.614 -6.058 398 HG2 PRO 56 HG2 PRO 56 -0.750 -21.374 -6.663 399 HG3 PRO 56 HG3 PRO 56 0.438 -20.411 -7.566 400 HD2 PRO 56 HD2 PRO 56 1.165 -22.409 -5.845 401 HD3 PRO 56 HD3 PRO 56 2.180 -20.975 -6.126 402 H LEU 57 H LEU 57 -0.933 -19.533 -1.925 403 HA LEU 57 HA LEU 57 -3.072 -21.476 -1.888 404 HB2 LEU 57 HB2 LEU 57 -2.356 -19.318 0.142 405 HB3 LEU 57 HB3 LEU 57 -3.516 -20.617 0.407 406 HG LEU 57 HG LEU 57 -0.519 -20.978 -0.040 407 HD11 LEU 57 HD11 LEU 57 -2.142 -21.327 2.496 408 HD12 LEU 57 HD12 LEU 57 -0.986 -20.040 2.160 409 HD13 LEU 57 HD13 LEU 57 -0.429 -21.702 2.294 410 HD21 LEU 57 HD21 LEU 57 -0.906 -23.362 0.508 411 HD22 LEU 57 HD22 LEU 57 -1.725 -22.880 -0.972 412 HD23 LEU 57 HD23 LEU 57 -2.647 -23.074 0.521 413 H ARG 58 H ARG 58 -4.723 -21.031 -3.207 414 HA ARG 58 HA ARG 58 -5.773 -18.353 -3.697 415 HB2 ARG 58 HB2 ARG 58 -5.467 -20.160 -5.456 416 HB3 ARG 58 HB3 ARG 58 -6.767 -21.059 -4.687 417 HG2 ARG 58 HG2 ARG 58 -8.317 -19.164 -5.205 418 HG3 ARG 58 HG3 ARG 58 -6.991 -18.359 -6.056 419 HD2 ARG 58 HD2 ARG 58 -6.812 -20.487 -7.481 420 HD3 ARG 58 HD3 ARG 58 -8.354 -20.972 -6.769 421 HE ARG 58 HE ARG 58 -9.082 -18.646 -7.712 422 HH11 ARG 58 HH11 ARG 58 -6.889 -20.898 -9.281 423 HH12 ARG 58 HH12 ARG 58 -7.368 -20.435 -10.883 424 HH21 ARG 58 HH21 ARG 58 -9.700 -18.059 -9.834 425 HH22 ARG 58 HH22 ARG 58 -8.944 -18.833 -11.188 426 H SER 59 H SER 59 -6.489 -21.110 -1.717 427 HA SER 59 HA SER 59 -8.782 -19.720 -0.483 428 HB2 SER 59 HB2 SER 59 -8.699 -22.663 -1.303 429 HB3 SER 59 HB3 SER 59 -9.927 -21.967 -0.242 430 HG SER 59 HG SER 59 -9.551 -20.609 -2.615 431 H GLY 60 H GLY 60 -9.173 -20.349 1.737 432 HA2 GLY 60 HA2 GLY 60 -6.824 -20.894 3.326 433 HA3 GLY 60 HA3 GLY 60 -8.471 -20.691 3.916 434 H LYS 61 H LYS 61 -9.344 -22.813 1.930 435 HA LYS 61 HA LYS 61 -9.168 -25.231 3.344 436 HB2 LYS 61 HB2 LYS 61 -10.894 -24.837 1.650 437 HB3 LYS 61 HB3 LYS 61 -9.673 -24.628 0.401 438 HG2 LYS 61 HG2 LYS 61 -9.044 -27.060 0.716 439 HG3 LYS 61 HG3 LYS 61 -10.422 -27.218 1.806 440 HD2 LYS 61 HD2 LYS 61 -10.991 -28.009 -0.462 441 HD3 LYS 61 HD3 LYS 61 -11.957 -26.594 -0.037 442 HE2 LYS 61 HE2 LYS 61 -10.483 -25.159 -1.392 443 HE3 LYS 61 HE3 LYS 61 -9.453 -26.540 -1.775 444 HZ1 LYS 61 HZ1 LYS 61 -11.015 -25.977 -3.541 445 HZ2 LYS 61 HZ2 LYS 61 -12.317 -26.302 -2.515 446 HZ3 LYS 61 HZ3 LYS 61 -11.258 -27.543 -2.961 447 H GLU 62 H GLU 62 -7.110 -23.798 0.861 448 HA GLU 62 HA GLU 62 -5.344 -26.101 0.644 449 HB2 GLU 62 HB2 GLU 62 -5.068 -23.278 -0.482 450 HB3 GLU 62 HB3 GLU 62 -4.058 -24.659 -0.913 451 HG2 GLU 62 HG2 GLU 62 -6.042 -25.805 -1.835 452 HG3 GLU 62 HG3 GLU 62 -7.037 -24.405 -1.429 453 H ALA 63 H ALA 63 -5.518 -23.081 2.413 454 HA ALA 63 HA ALA 63 -2.846 -23.141 3.490 455 HB1 ALA 63 HB1 ALA 63 -5.304 -21.688 4.537 456 HB2 ALA 63 HB2 ALA 63 -4.143 -21.047 3.373 457 HB3 ALA 63 HB3 ALA 63 -3.630 -21.391 5.025 458 H LYS 64 H LYS 64 -5.633 -24.982 4.096 459 HA LYS 64 HA LYS 64 -5.458 -25.645 6.827 460 HB2 LYS 64 HB2 LYS 64 -7.394 -26.152 5.364 461 HB3 LYS 64 HB3 LYS 64 -6.420 -27.322 4.482 462 HG2 LYS 64 HG2 LYS 64 -6.192 -28.617 6.654 463 HG3 LYS 64 HG3 LYS 64 -7.374 -27.505 7.355 464 HD2 LYS 64 HD2 LYS 64 -9.035 -28.216 5.654 465 HD3 LYS 64 HD3 LYS 64 -7.844 -29.317 4.952 466 HE2 LYS 64 HE2 LYS 64 -9.327 -30.595 6.365 467 HE3 LYS 64 HE3 LYS 64 -7.750 -30.522 7.151 468 HZ1 LYS 64 HZ1 LYS 64 -8.611 -28.717 8.549 469 HZ2 LYS 64 HZ2 LYS 64 -9.480 -30.150 8.747 470 HZ3 LYS 64 HZ3 LYS 64 -10.134 -28.889 7.831 471 H ILE 65 H ILE 65 -3.666 -26.816 4.013 472 HA ILE 65 HA ILE 65 -2.563 -29.148 5.248 473 HB ILE 65 HB ILE 65 -1.124 -29.404 3.331 474 HG12 ILE 65 HG12 ILE 65 -1.812 -26.537 2.554 475 HG13 ILE 65 HG13 ILE 65 -0.247 -27.104 3.107 476 HG21 ILE 65 HG21 ILE 65 -3.514 -29.924 2.966 477 HG22 ILE 65 HG22 ILE 65 -2.764 -29.364 1.474 478 HG23 ILE 65 HG23 ILE 65 -3.802 -28.276 2.400 479 HD11 ILE 65 HD11 ILE 65 -1.603 -27.817 0.508 480 HD12 ILE 65 HD12 ILE 65 -0.065 -28.486 1.059 481 HD13 ILE 65 HD13 ILE 65 -0.210 -26.760 0.732 482 H LEU 66 H LEU 66 -1.862 -25.834 5.653 483 HA LEU 66 HA LEU 66 0.766 -26.399 6.876 484 HB2 LEU 66 HB2 LEU 66 -0.501 -23.673 6.375 485 HB3 LEU 66 HB3 LEU 66 1.125 -23.992 6.953 486 HG LEU 66 HG LEU 66 1.341 -25.257 4.588 487 HD11 LEU 66 HD11 LEU 66 0.124 -24.148 2.796 488 HD12 LEU 66 HD12 LEU 66 -0.761 -23.166 3.967 489 HD13 LEU 66 HD13 LEU 66 -0.999 -24.916 3.920 490 HD21 LEU 66 HD21 LEU 66 1.523 -22.242 4.824 491 HD22 LEU 66 HD22 LEU 66 2.337 -23.259 3.629 492 HD23 LEU 66 HD23 LEU 66 2.758 -23.397 5.333 493 H GLN 67 H GLN 67 0.571 -26.990 8.924 494 HA GLN 67 HA GLN 67 -1.489 -26.226 10.756 495 HB2 GLN 67 HB2 GLN 67 1.259 -27.456 11.255 496 HB3 GLN 67 HB3 GLN 67 -0.018 -27.326 12.461 497 HG2 GLN 67 HG2 GLN 67 -0.152 -28.944 9.900 498 HG3 GLN 67 HG3 GLN 67 0.130 -29.593 11.517 499 HE21 GLN 67 HE21 GLN 67 -1.610 -29.624 13.016 500 HE22 GLN 67 HE22 GLN 67 -3.254 -29.487 12.499 501 H HIS 68 H HIS 68 1.241 -24.597 9.578 502 HA HIS 68 HA HIS 68 2.114 -22.936 11.653 503 HB2 HIS 68 HB2 HIS 68 1.765 -22.129 8.731 504 HB3 HIS 68 HB3 HIS 68 2.851 -21.378 9.898 505 HD1 HIS 68 HD1 HIS 68 4.669 -23.302 10.917 506 HD2 HIS 68 HD2 HIS 68 3.073 -23.857 7.125 507 HE1 HIS 68 HE1 HIS 68 6.211 -24.922 9.770 508 HE2 HIS 68 HE2 HIS 68 5.164 -25.327 7.513 509 H PHE 69 H PHE 69 -0.632 -22.602 9.434 510 HA PHE 69 HA PHE 69 -1.738 -20.228 10.669 511 HB2 PHE 69 HB2 PHE 69 -3.084 -22.277 8.828 512 HB3 PHE 69 HB3 PHE 69 -3.744 -20.717 9.274 513 HD1 PHE 69 HD1 PHE 69 -0.562 -22.053 7.725 514 HD2 PHE 69 HD2 PHE 69 -3.605 -19.056 7.625 515 HE1 PHE 69 HE1 PHE 69 0.480 -21.050 5.732 516 HE2 PHE 69 HE2 PHE 69 -2.557 -18.067 5.638 517 HZ PHE 69 HZ PHE 69 -0.521 -19.060 4.687 518 H GLY 70 H GLY 70 -2.536 -23.701 10.571 519 HA2 GLY 70 HA2 GLY 70 -3.212 -25.049 12.386 520 HA3 GLY 70 HA3 GLY 70 -3.710 -23.612 13.270 521 H ASP 71 H ASP 71 -5.214 -26.052 12.690 522 HA ASP 71 HA ASP 71 -6.857 -26.096 10.494 523 HB2 ASP 71 HB2 ASP 71 -6.605 -27.980 12.027 524 HB3 ASP 71 HB3 ASP 71 -7.394 -27.084 13.321 525 H ARG 72 H ARG 72 -7.428 -24.363 13.549 526 HA ARG 72 HA ARG 72 -10.141 -23.595 12.958 527 HB2 ARG 72 HB2 ARG 72 -8.189 -22.525 15.025 528 HB3 ARG 72 HB3 ARG 72 -9.902 -22.119 14.966 529 HG2 ARG 72 HG2 ARG 72 -8.755 -24.898 15.462 530 HG3 ARG 72 HG3 ARG 72 -9.393 -23.814 16.697 531 HD2 ARG 72 HD2 ARG 72 -11.140 -25.371 16.275 532 HD3 ARG 72 HD3 ARG 72 -11.624 -23.901 15.430 533 HE ARG 72 HE ARG 72 -10.245 -26.020 13.918 534 HH11 ARG 72 HH11 ARG 72 -13.262 -24.297 14.519 535 HH12 ARG 72 HH12 ARG 72 -14.043 -24.954 13.118 536 HH21 ARG 72 HH21 ARG 72 -11.288 -26.844 12.097 537 HH22 ARG 72 HH22 ARG 72 -12.931 -26.405 11.757 538 H LEU 73 H LEU 73 -6.980 -21.993 12.687 539 HA LEU 73 HA LEU 73 -7.969 -19.437 11.841 540 HB2 LEU 73 HB2 LEU 73 -5.686 -19.959 12.857 541 HB3 LEU 73 HB3 LEU 73 -5.205 -20.608 11.306 542 HG LEU 73 HG LEU 73 -6.088 -17.715 11.639 543 HD11 LEU 73 HD11 LEU 73 -4.212 -18.094 13.172 544 HD12 LEU 73 HD12 LEU 73 -3.743 -17.056 11.831 545 HD13 LEU 73 HD13 LEU 73 -3.246 -18.751 11.848 546 HD21 LEU 73 HD21 LEU 73 -6.047 -18.496 9.306 547 HD22 LEU 73 HD22 LEU 73 -4.366 -19.000 9.492 548 HD23 LEU 73 HD23 LEU 73 -4.796 -17.294 9.599 549 H CYS 74 H CYS 74 -6.967 -22.375 10.182 550 HA CYS 74 HA CYS 74 -6.934 -21.476 7.510 551 HB2 CYS 74 HB2 CYS 74 -7.501 -24.252 8.618 552 HB3 CYS 74 HB3 CYS 74 -7.079 -23.891 6.942 553 HG CYS 74 HG CYS 74 -4.509 -23.092 7.459 554 H ARG 75 H ARG 75 -9.461 -22.786 9.599 555 HA ARG 75 HA ARG 75 -11.603 -22.723 7.732 556 HB2 ARG 75 HB2 ARG 75 -11.481 -22.792 10.761 557 HB3 ARG 75 HB3 ARG 75 -13.026 -22.564 9.944 558 HG2 ARG 75 HG2 ARG 75 -11.170 -24.913 9.463 559 HG3 ARG 75 HG3 ARG 75 -12.556 -24.931 10.559 560 HD2 ARG 75 HD2 ARG 75 -14.076 -24.499 8.686 561 HD3 ARG 75 HD3 ARG 75 -12.707 -24.385 7.573 562 HE ARG 75 HE ARG 75 -12.345 -26.833 8.547 563 HH11 ARG 75 HH11 ARG 75 -15.329 -25.391 7.404 564 HH12 ARG 75 HH12 ARG 75 -15.963 -26.887 6.808 565 HH21 ARG 75 HH21 ARG 75 -13.168 -28.780 7.775 566 HH22 ARG 75 HH22 ARG 75 -14.734 -28.825 7.030 567 H MET 76 H MET 76 -10.430 -20.301 10.122 568 HA MET 76 HA MET 76 -12.473 -18.377 9.769 569 HB2 MET 76 HB2 MET 76 -9.555 -18.073 10.615 570 HB3 MET 76 HB3 MET 76 -10.712 -16.747 10.672 571 HG2 MET 76 HG2 MET 76 -11.026 -19.346 12.192 572 HG3 MET 76 HG3 MET 76 -10.325 -17.876 12.855 573 HE1 MET 76 HE1 MET 76 -12.251 -15.576 11.559 574 HE2 MET 76 HE2 MET 76 -11.724 -15.599 13.243 575 HE3 MET 76 HE3 MET 76 -13.436 -15.434 12.857 576 H LEU 77 H LEU 77 -9.477 -19.000 8.118 577 HA LEU 77 HA LEU 77 -9.235 -16.629 6.595 578 HB2 LEU 77 HB2 LEU 77 -7.468 -18.394 7.327 579 HB3 LEU 77 HB3 LEU 77 -8.015 -19.339 5.959 580 HG LEU 77 HG LEU 77 -7.356 -17.436 4.449 581 HD11 LEU 77 HD11 LEU 77 -5.882 -15.667 5.341 582 HD12 LEU 77 HD12 LEU 77 -6.179 -16.252 6.982 583 HD13 LEU 77 HD13 LEU 77 -7.505 -15.582 6.028 584 HD21 LEU 77 HD21 LEU 77 -5.140 -18.564 6.183 585 HD22 LEU 77 HD22 LEU 77 -4.938 -17.863 4.573 586 HD23 LEU 77 HD23 LEU 77 -5.864 -19.351 4.777 587 H ASP 78 H ASP 78 -10.390 -19.904 5.892 588 HA ASP 78 HA ASP 78 -10.991 -19.448 3.118 589 HB2 ASP 78 HB2 ASP 78 -10.409 -21.713 4.158 590 HB3 ASP 78 HB3 ASP 78 -12.026 -21.732 4.858 591 H GLU 79 H GLU 79 -12.843 -19.419 6.110 592 HA GLU 79 HA GLU 79 -15.447 -19.153 4.987 593 HB2 GLU 79 HB2 GLU 79 -14.341 -18.534 7.754 594 HB3 GLU 79 HB3 GLU 79 -16.030 -18.252 7.335 595 HG2 GLU 79 HG2 GLU 79 -16.314 -20.640 6.819 596 HG3 GLU 79 HG3 GLU 79 -14.623 -20.943 7.208 597 H LYS 80 H LYS 80 -13.032 -16.800 6.081 598 HA LYS 80 HA LYS 80 -14.493 -14.432 5.533 599 HB2 LYS 80 HB2 LYS 80 -11.510 -14.998 5.659 600 HB3 LYS 80 HB3 LYS 80 -12.134 -13.387 5.315 601 HG2 LYS 80 HG2 LYS 80 -12.701 -14.987 7.831 602 HG3 LYS 80 HG3 LYS 80 -11.529 -13.682 7.694 603 HD2 LYS 80 HD2 LYS 80 -14.542 -13.448 7.373 604 HD3 LYS 80 HD3 LYS 80 -13.592 -12.893 8.755 605 HE2 LYS 80 HE2 LYS 80 -12.467 -11.226 7.347 606 HE3 LYS 80 HE3 LYS 80 -13.322 -11.819 5.917 607 HZ1 LYS 80 HZ1 LYS 80 -14.416 -9.891 6.717 608 HZ2 LYS 80 HZ2 LYS 80 -14.507 -10.504 8.288 609 HZ3 LYS 80 HZ3 LYS 80 -15.417 -11.214 7.051 610 H LEU 81 H LEU 81 -12.237 -16.338 3.541 611 HA LEU 81 HA LEU 81 -12.340 -14.766 1.200 612 HB2 LEU 81 HB2 LEU 81 -10.685 -16.612 1.759 613 HB3 LEU 81 HB3 LEU 81 -11.925 -17.783 1.373 614 HG LEU 81 HG LEU 81 -10.082 -17.313 -0.378 615 HD11 LEU 81 HD11 LEU 81 -11.532 -17.635 -2.305 616 HD12 LEU 81 HD12 LEU 81 -12.941 -17.199 -1.334 617 HD13 LEU 81 HD13 LEU 81 -12.016 -18.650 -0.947 618 HD21 LEU 81 HD21 LEU 81 -10.388 -15.431 -1.889 619 HD22 LEU 81 HD22 LEU 81 -10.115 -14.868 -0.242 620 HD23 LEU 81 HD23 LEU 81 -11.745 -14.842 -0.923 621 H LYS 82 H LYS 82 -14.397 -17.339 2.453 622 HA LYS 82 HA LYS 82 -16.152 -17.661 0.247 623 HB2 LYS 82 HB2 LYS 82 -15.893 -19.334 2.060 624 HB3 LYS 82 HB3 LYS 82 -16.591 -18.222 3.220 625 HG2 LYS 82 HG2 LYS 82 -18.173 -19.171 0.821 626 HG3 LYS 82 HG3 LYS 82 -18.033 -20.171 2.265 627 HD2 LYS 82 HD2 LYS 82 -19.259 -17.381 2.116 628 HD3 LYS 82 HD3 LYS 82 -20.140 -18.900 2.277 629 HE2 LYS 82 HE2 LYS 82 -18.208 -17.754 4.333 630 HE3 LYS 82 HE3 LYS 82 -19.971 -17.707 4.432 631 HZ1 LYS 82 HZ1 LYS 82 -18.951 -19.524 5.727 632 HZ2 LYS 82 HZ2 LYS 82 -18.382 -20.209 4.294 633 HZ3 LYS 82 HZ3 LYS 82 -20.045 -20.076 4.565 634 H GLN 83 H GLN 83 -16.197 -15.484 3.100 635 HA GLN 83 HA GLN 83 -18.848 -14.460 2.738 636 HB2 GLN 83 HB2 GLN 83 -16.453 -13.242 4.186 637 HB3 GLN 83 HB3 GLN 83 -18.079 -12.567 4.239 638 HG2 GLN 83 HG2 GLN 83 -18.885 -14.658 5.292 639 HG3 GLN 83 HG3 GLN 83 -17.240 -15.276 5.301 640 HE21 GLN 83 HE21 GLN 83 -18.984 -14.805 7.588 641 HE22 GLN 83 HE22 GLN 83 -18.152 -13.693 8.615 642 H HIS 84 H HIS 84 -15.673 -13.509 1.631 643 HA HIS 84 HA HIS 84 -16.219 -11.173 0.171 644 HB2 HIS 84 HB2 HIS 84 -13.943 -11.792 0.630 645 HB3 HIS 84 HB3 HIS 84 -14.151 -13.388 -0.066 646 HD1 HIS 84 HD1 HIS 84 -13.715 -9.771 -1.077 647 HD2 HIS 84 HD2 HIS 84 -13.554 -13.570 -2.758 648 HE1 HIS 84 HE1 HIS 84 -12.737 -9.455 -3.373 649 HE2 HIS 84 HE2 HIS 84 -12.874 -11.728 -4.439 650 H LEU 85 H LEU 85 -16.277 -14.613 -0.856 651 HA LEU 85 HA LEU 85 -17.214 -14.116 -3.527 652 HB2 LEU 85 HB2 LEU 85 -17.322 -16.707 -1.933 653 HB3 LEU 85 HB3 LEU 85 -17.516 -16.562 -3.674 654 HG LEU 85 HG LEU 85 -14.959 -16.072 -2.099 655 HD11 LEU 85 HD11 LEU 85 -15.681 -18.311 -4.013 656 HD12 LEU 85 HD12 LEU 85 -15.501 -18.434 -2.260 657 HD13 LEU 85 HD13 LEU 85 -14.102 -18.060 -3.260 658 HD21 LEU 85 HD21 LEU 85 -14.997 -14.527 -3.975 659 HD22 LEU 85 HD22 LEU 85 -15.398 -15.831 -5.094 660 HD23 LEU 85 HD23 LEU 85 -13.828 -15.810 -4.286 661 H ALA 86 H ALA 86 -18.843 -14.352 -0.472 662 HA ALA 86 HA ALA 86 -21.376 -15.331 -1.559 663 HB1 ALA 86 HB1 ALA 86 -20.584 -16.170 0.627 664 HB2 ALA 86 HB2 ALA 86 -22.146 -15.357 0.773 665 HB3 ALA 86 HB3 ALA 86 -20.669 -14.536 1.293 666 H SER 87 H SER 87 -20.383 -12.480 0.374 667 HA SER 87 HA SER 87 -22.822 -11.055 -0.136 668 HB2 SER 87 HB2 SER 87 -20.220 -10.034 1.085 669 HB3 SER 87 HB3 SER 87 -21.805 -9.260 1.202 670 HG SER 87 HG SER 87 -22.025 -11.798 2.032 671 H GLY 88 H GLY 88 -19.513 -10.927 -1.419 672 HA2 GLY 88 HA2 GLY 88 -20.051 -8.564 -3.064 673 HA3 GLY 88 HA3 GLY 88 -18.535 -9.432 -2.927 674 H GLY 89 H GLY 89 -19.866 -12.036 -3.442 675 HA2 GLY 89 HA2 GLY 89 -20.449 -13.413 -5.195 676 HA3 GLY 89 HA3 GLY 89 -20.954 -11.997 -6.105 677 H ASP 90 H ASP 90 -19.407 -10.834 -7.292 678 HA ASP 90 HA ASP 90 -16.667 -11.692 -7.555 679 HB2 ASP 90 HB2 ASP 90 -17.622 -13.388 -9.018 680 HB3 ASP 90 HB3 ASP 90 -18.644 -12.202 -9.828 Start of MODEL 13 1 H ARG 11 H ARG 11 12.977 -7.203 -11.163 2 HA ARG 11 HA ARG 11 13.437 -9.687 -9.632 3 HB2 ARG 11 HB2 ARG 11 11.784 -7.198 -8.985 4 HB3 ARG 11 HB3 ARG 11 11.739 -8.681 -8.044 5 HG2 ARG 11 HG2 ARG 11 13.106 -7.160 -6.844 6 HG3 ARG 11 HG3 ARG 11 14.201 -8.346 -7.554 7 HD2 ARG 11 HD2 ARG 11 15.093 -6.044 -7.711 8 HD3 ARG 11 HD3 ARG 11 14.832 -6.758 -9.303 9 HE ARG 11 HE ARG 11 12.520 -5.367 -8.781 10 HH11 ARG 11 HH11 ARG 11 15.900 -4.443 -8.887 11 HH12 ARG 11 HH12 ARG 11 15.567 -2.865 -9.513 12 HH21 ARG 11 HH21 ARG 11 12.104 -3.290 -9.592 13 HH22 ARG 11 HH22 ARG 11 13.418 -2.202 -9.893 14 HA PRO 12 HA PRO 12 9.867 -11.111 -12.121 15 HB2 PRO 12 HB2 PRO 12 9.386 -13.474 -10.800 16 HB3 PRO 12 HB3 PRO 12 10.716 -13.273 -11.948 17 HG2 PRO 12 HG2 PRO 12 10.772 -13.141 -8.936 18 HG3 PRO 12 HG3 PRO 12 11.898 -13.957 -10.041 19 HD2 PRO 12 HD2 PRO 12 12.458 -11.535 -8.936 20 HD3 PRO 12 HD3 PRO 12 13.026 -11.981 -10.558 21 H LEU 13 H LEU 13 8.650 -9.303 -11.345 22 HA LEU 13 HA LEU 13 7.310 -9.215 -8.852 23 HB2 LEU 13 HB2 LEU 13 6.168 -7.196 -9.663 24 HB3 LEU 13 HB3 LEU 13 7.888 -7.138 -9.912 25 HG LEU 13 HG LEU 13 6.790 -6.005 -11.715 26 HD11 LEU 13 HD11 LEU 13 7.633 -7.076 -13.700 27 HD12 LEU 13 HD12 LEU 13 7.834 -8.596 -12.823 28 HD13 LEU 13 HD13 LEU 13 8.787 -7.181 -12.370 29 HD21 LEU 13 HD21 LEU 13 5.191 -8.489 -12.334 30 HD22 LEU 13 HD22 LEU 13 5.189 -6.978 -13.251 31 HD23 LEU 13 HD23 LEU 13 4.584 -7.006 -11.597 32 HA PRO 14 HA PRO 14 3.692 -11.742 -9.403 33 HB2 PRO 14 HB2 PRO 14 1.739 -10.259 -8.072 34 HB3 PRO 14 HB3 PRO 14 2.941 -11.289 -7.282 35 HG2 PRO 14 HG2 PRO 14 3.001 -8.308 -7.734 36 HG3 PRO 14 HG3 PRO 14 3.429 -9.229 -6.276 37 HD2 PRO 14 HD2 PRO 14 5.336 -8.283 -7.916 38 HD3 PRO 14 HD3 PRO 14 5.517 -9.881 -7.149 39 H VAL 15 H VAL 15 3.111 -11.869 -11.476 40 HA VAL 15 HA VAL 15 1.962 -9.753 -13.039 41 HB VAL 15 HB VAL 15 1.694 -11.410 -14.825 42 HG11 VAL 15 HG11 VAL 15 4.041 -12.200 -15.045 43 HG12 VAL 15 HG12 VAL 15 4.325 -11.826 -13.344 44 HG13 VAL 15 HG13 VAL 15 3.966 -10.525 -14.482 45 HG21 VAL 15 HG21 VAL 15 0.814 -13.320 -13.553 46 HG22 VAL 15 HG22 VAL 15 2.366 -13.536 -12.744 47 HG23 VAL 15 HG23 VAL 15 2.229 -13.831 -14.480 48 H CYS 16 H CYS 16 0.746 -12.398 -11.105 49 HA CYS 16 HA CYS 16 -2.063 -12.042 -11.787 50 HB2 CYS 16 HB2 CYS 16 -0.710 -13.739 -9.634 51 HB3 CYS 16 HB3 CYS 16 -2.388 -13.879 -10.161 52 HG CYS 16 HG CYS 16 -0.562 -14.166 -12.823 53 HA PRO 17 HA PRO 17 -3.158 -9.158 -8.379 54 HB2 PRO 17 HB2 PRO 17 -5.216 -11.223 -7.557 55 HB3 PRO 17 HB3 PRO 17 -5.416 -9.487 -7.842 56 HG2 PRO 17 HG2 PRO 17 -6.263 -11.238 -9.655 57 HG3 PRO 17 HG3 PRO 17 -5.462 -9.739 -10.170 58 HD2 PRO 17 HD2 PRO 17 -4.345 -12.537 -10.038 59 HD3 PRO 17 HD3 PRO 17 -4.104 -11.282 -11.275 60 H ASN 18 H ASN 18 -2.463 -8.902 -6.288 61 HA ASN 18 HA ASN 18 -0.827 -10.821 -5.001 62 HB2 ASN 18 HB2 ASN 18 -0.527 -8.376 -4.713 63 HB3 ASN 18 HB3 ASN 18 -2.092 -8.252 -3.919 64 HD21 ASN 18 HD21 ASN 18 1.212 -9.375 -3.601 65 HD22 ASN 18 HD22 ASN 18 1.203 -9.515 -1.878 66 HA PRO 19 HA PRO 19 -3.886 -13.465 -3.012 67 HB2 PRO 19 HB2 PRO 19 -2.406 -14.341 -0.806 68 HB3 PRO 19 HB3 PRO 19 -2.255 -15.001 -2.440 69 HG2 PRO 19 HG2 PRO 19 -0.567 -12.906 -1.075 70 HG3 PRO 19 HG3 PRO 19 -0.049 -14.290 -2.062 71 HD2 PRO 19 HD2 PRO 19 -0.122 -11.825 -3.117 72 HD3 PRO 19 HD3 PRO 19 -0.628 -13.230 -4.087 73 H LEU 20 H LEU 20 -5.438 -13.358 -1.399 74 HA LEU 20 HA LEU 20 -5.800 -10.717 -0.289 75 HB2 LEU 20 HB2 LEU 20 -7.532 -12.113 -1.513 76 HB3 LEU 20 HB3 LEU 20 -7.620 -13.140 -0.097 77 HG LEU 20 HG LEU 20 -8.515 -11.277 1.242 78 HD11 LEU 20 HD11 LEU 20 -9.095 -9.114 0.226 79 HD12 LEU 20 HD12 LEU 20 -8.307 -9.593 -1.279 80 HD13 LEU 20 HD13 LEU 20 -7.353 -9.389 0.194 81 HD21 LEU 20 HD21 LEU 20 -9.992 -11.640 -1.388 82 HD22 LEU 20 HD22 LEU 20 -10.694 -11.051 0.122 83 HD23 LEU 20 HD23 LEU 20 -10.092 -12.704 0.019 84 H PHE 21 H PHE 21 -4.978 -13.859 0.944 85 HA PHE 21 HA PHE 21 -5.790 -13.464 3.651 86 HB2 PHE 21 HB2 PHE 21 -3.866 -15.485 2.462 87 HB3 PHE 21 HB3 PHE 21 -4.489 -15.542 4.108 88 HD1 PHE 21 HD1 PHE 21 -7.382 -14.622 3.191 89 HD2 PHE 21 HD2 PHE 21 -4.703 -17.705 1.943 90 HE1 PHE 21 HE1 PHE 21 -9.287 -15.991 2.469 91 HE2 PHE 21 HE2 PHE 21 -6.614 -19.058 1.220 92 HZ PHE 21 HZ PHE 21 -8.903 -18.205 1.480 93 H VAL 22 H VAL 22 -2.941 -12.477 1.890 94 HA VAL 22 HA VAL 22 -1.153 -12.450 4.128 95 HB VAL 22 HB VAL 22 -0.407 -12.478 1.701 96 HG11 VAL 22 HG11 VAL 22 -1.827 -10.682 0.802 97 HG12 VAL 22 HG12 VAL 22 -0.123 -10.379 0.471 98 HG13 VAL 22 HG13 VAL 22 -0.945 -9.493 1.759 99 HG21 VAL 22 HG21 VAL 22 1.647 -11.171 2.093 100 HG22 VAL 22 HG22 VAL 22 1.195 -12.093 3.528 101 HG23 VAL 22 HG23 VAL 22 0.877 -10.359 3.460 102 H ARG 23 H ARG 23 -3.321 -9.992 2.668 103 HA ARG 23 HA ARG 23 -2.538 -7.905 4.500 104 HB2 ARG 23 HB2 ARG 23 -4.326 -6.566 3.616 105 HB3 ARG 23 HB3 ARG 23 -3.578 -7.396 2.260 106 HG2 ARG 23 HG2 ARG 23 -5.445 -8.890 2.030 107 HG3 ARG 23 HG3 ARG 23 -6.128 -8.381 3.574 108 HD2 ARG 23 HD2 ARG 23 -7.382 -7.388 1.734 109 HD3 ARG 23 HD3 ARG 23 -6.552 -6.129 2.652 110 HE ARG 23 HE ARG 23 -5.388 -7.192 0.151 111 HH11 ARG 23 HH11 ARG 23 -6.565 -4.435 1.987 112 HH12 ARG 23 HH12 ARG 23 -6.173 -3.294 0.744 113 HH21 ARG 23 HH21 ARG 23 -4.865 -5.700 -1.452 114 HH22 ARG 23 HH22 ARG 23 -5.203 -4.017 -1.209 115 H TRP 24 H TRP 24 -5.062 -10.370 4.372 116 HA TRP 24 HA TRP 24 -6.609 -9.472 6.558 117 HB2 TRP 24 HB2 TRP 24 -6.426 -12.082 5.038 118 HB3 TRP 24 HB3 TRP 24 -7.314 -12.053 6.552 119 HD1 TRP 24 HD1 TRP 24 -8.109 -8.791 5.381 120 HE1 TRP 24 HE1 TRP 24 -10.315 -8.726 4.084 121 HE3 TRP 24 HE3 TRP 24 -8.575 -13.767 4.252 122 HZ2 TRP 24 HZ2 TRP 24 -12.035 -10.503 2.775 123 HZ3 TRP 24 HZ3 TRP 24 -10.544 -14.497 2.987 124 HH2 TRP 24 HH2 TRP 24 -12.239 -12.899 2.250 125 H LEU 25 H LEU 25 -3.859 -11.731 6.421 126 HA LEU 25 HA LEU 25 -3.977 -12.406 9.212 127 HB2 LEU 25 HB2 LEU 25 -1.894 -12.862 7.061 128 HB3 LEU 25 HB3 LEU 25 -1.614 -13.347 8.730 129 HG LEU 25 HG LEU 25 -3.965 -14.340 7.060 130 HD11 LEU 25 HD11 LEU 25 -1.912 -15.169 6.052 131 HD12 LEU 25 HD12 LEU 25 -2.771 -16.477 6.862 132 HD13 LEU 25 HD13 LEU 25 -1.344 -15.761 7.617 133 HD21 LEU 25 HD21 LEU 25 -4.226 -16.009 8.844 134 HD22 LEU 25 HD22 LEU 25 -4.372 -14.374 9.481 135 HD23 LEU 25 HD23 LEU 25 -2.882 -15.290 9.737 136 H THR 26 H THR 26 -2.296 -9.915 7.328 137 HA THR 26 HA THR 26 -0.568 -8.982 9.395 138 HB THR 26 HB THR 26 -1.722 -7.403 7.045 139 HG1 THR 26 HG1 THR 26 -0.319 -9.365 6.723 140 HG21 THR 26 HG21 THR 26 0.699 -6.781 8.799 141 HG22 THR 26 HG22 THR 26 -0.822 -5.885 8.789 142 HG23 THR 26 HG23 THR 26 0.212 -5.878 7.361 143 H GLU 27 H GLU 27 -3.869 -8.008 8.377 144 HA GLU 27 HA GLU 27 -4.048 -5.854 10.250 145 HB2 GLU 27 HB2 GLU 27 -6.375 -5.585 9.556 146 HB3 GLU 27 HB3 GLU 27 -5.339 -5.787 8.151 147 HG2 GLU 27 HG2 GLU 27 -6.073 -8.187 8.039 148 HG3 GLU 27 HG3 GLU 27 -7.211 -7.854 9.344 149 H TRP 28 H TRP 28 -5.295 -9.222 10.256 150 HA TRP 28 HA TRP 28 -6.765 -8.994 12.668 151 HB2 TRP 28 HB2 TRP 28 -5.607 -11.486 11.356 152 HB3 TRP 28 HB3 TRP 28 -6.700 -11.515 12.735 153 HD1 TRP 28 HD1 TRP 28 -8.609 -9.103 11.395 154 HE1 TRP 28 HE1 TRP 28 -10.254 -9.831 9.570 155 HE3 TRP 28 HE3 TRP 28 -6.467 -13.562 10.090 156 HZ2 TRP 28 HZ2 TRP 28 -10.618 -11.983 7.819 157 HZ3 TRP 28 HZ3 TRP 28 -7.543 -14.891 8.328 158 HH2 TRP 28 HH2 TRP 28 -9.575 -14.128 7.213 159 H ARG 29 H ARG 29 -3.384 -9.730 12.034 160 HA ARG 29 HA ARG 29 -2.575 -10.446 14.675 161 HB2 ARG 29 HB2 ARG 29 -1.194 -10.946 12.720 162 HB3 ARG 29 HB3 ARG 29 -1.085 -9.235 12.312 163 HG2 ARG 29 HG2 ARG 29 0.089 -9.068 14.700 164 HG3 ARG 29 HG3 ARG 29 0.370 -10.796 14.443 165 HD2 ARG 29 HD2 ARG 29 2.279 -9.429 13.656 166 HD3 ARG 29 HD3 ARG 29 1.521 -10.296 12.316 167 HE ARG 29 HE ARG 29 0.239 -8.022 12.059 168 HH11 ARG 29 HH11 ARG 29 3.653 -8.396 12.762 169 HH12 ARG 29 HH12 ARG 29 4.082 -6.868 12.071 170 HH21 ARG 29 HH21 ARG 29 0.819 -6.018 11.167 171 HH22 ARG 29 HH22 ARG 29 2.478 -5.518 11.170 172 H ASP 30 H ASP 30 -2.648 -7.347 12.914 173 HA ASP 30 HA ASP 30 -1.369 -5.761 14.927 174 HB2 ASP 30 HB2 ASP 30 -1.376 -5.143 12.505 175 HB3 ASP 30 HB3 ASP 30 -3.116 -4.904 12.575 176 H GLU 31 H GLU 31 -4.728 -6.340 14.029 177 HA GLU 31 HA GLU 31 -5.985 -4.610 15.891 178 HB2 GLU 31 HB2 GLU 31 -7.051 -7.077 14.449 179 HB3 GLU 31 HB3 GLU 31 -8.051 -5.952 15.371 180 HG2 GLU 31 HG2 GLU 31 -7.563 -4.162 13.817 181 HG3 GLU 31 HG3 GLU 31 -6.410 -5.175 12.945 182 H ALA 32 H ALA 32 -4.927 -8.000 15.948 183 HA ALA 32 HA ALA 32 -6.033 -8.775 18.429 184 HB1 ALA 32 HB1 ALA 32 -5.144 -10.410 16.816 185 HB2 ALA 32 HB2 ALA 32 -4.397 -10.614 18.403 186 HB3 ALA 32 HB3 ALA 32 -3.509 -9.811 17.102 187 H ALA 33 H ALA 33 -3.080 -7.028 17.605 188 HA ALA 33 HA ALA 33 -1.979 -6.914 20.248 189 HB1 ALA 33 HB1 ALA 33 -0.615 -6.494 18.245 190 HB2 ALA 33 HB2 ALA 33 -0.556 -5.113 19.343 191 HB3 ALA 33 HB3 ALA 33 -1.559 -5.047 17.889 192 H SER 34 H SER 34 -4.060 -4.740 18.338 193 HA SER 34 HA SER 34 -4.183 -2.649 20.296 194 HB2 SER 34 HB2 SER 34 -4.387 -2.232 17.853 195 HB3 SER 34 HB3 SER 34 -5.921 -3.101 17.825 196 HG SER 34 HG SER 34 -5.718 -1.049 19.691 197 H ARG 35 H ARG 35 -6.007 -5.567 19.847 198 HA ARG 35 HA ARG 35 -8.212 -4.641 21.608 199 HB2 ARG 35 HB2 ARG 35 -8.169 -6.996 19.669 200 HB3 ARG 35 HB3 ARG 35 -9.532 -6.552 20.692 201 HG2 ARG 35 HG2 ARG 35 -8.398 -4.807 18.469 202 HG3 ARG 35 HG3 ARG 35 -9.776 -5.892 18.290 203 HD2 ARG 35 HD2 ARG 35 -10.726 -3.746 18.609 204 HD3 ARG 35 HD3 ARG 35 -10.889 -4.544 20.175 205 HE ARG 35 HE ARG 35 -8.486 -3.056 20.114 206 HH11 ARG 35 HH11 ARG 35 -11.945 -2.469 20.232 207 HH12 ARG 35 HH12 ARG 35 -11.776 -0.970 21.084 208 HH21 ARG 35 HH21 ARG 35 -8.283 -1.107 21.235 209 HH22 ARG 35 HH22 ARG 35 -9.705 -0.205 21.648 210 H GLY 36 H GLY 36 -5.358 -6.339 21.731 211 HA2 GLY 36 HA2 GLY 36 -4.383 -7.439 23.505 212 HA3 GLY 36 HA3 GLY 36 -5.898 -7.310 24.378 213 H ARG 37 H ARG 37 -6.140 -8.780 21.292 214 HA ARG 37 HA ARG 37 -7.067 -11.275 22.302 215 HB2 ARG 37 HB2 ARG 37 -6.220 -10.563 19.466 216 HB3 ARG 37 HB3 ARG 37 -7.208 -11.943 19.928 217 HG2 ARG 37 HG2 ARG 37 -8.020 -9.034 20.263 218 HG3 ARG 37 HG3 ARG 37 -8.492 -10.070 18.914 219 HD2 ARG 37 HD2 ARG 37 -9.595 -11.611 20.578 220 HD3 ARG 37 HD3 ARG 37 -9.247 -10.417 21.833 221 HE ARG 37 HE ARG 37 -11.006 -9.168 21.091 222 HH11 ARG 37 HH11 ARG 37 -10.169 -11.371 18.459 223 HH12 ARG 37 HH12 ARG 37 -11.544 -10.925 17.506 224 HH21 ARG 37 HH21 ARG 37 -12.794 -8.622 19.809 225 HH22 ARG 37 HH22 ARG 37 -13.030 -9.388 18.271 226 H HIS 38 H HIS 38 -6.034 -13.240 22.490 227 HA HIS 38 HA HIS 38 -3.142 -13.195 22.666 228 HB2 HIS 38 HB2 HIS 38 -5.138 -15.388 23.352 229 HB3 HIS 38 HB3 HIS 38 -3.410 -15.462 23.690 230 HD1 HIS 38 HD1 HIS 38 -6.133 -15.199 25.638 231 HD2 HIS 38 HD2 HIS 38 -2.980 -12.546 25.087 232 HE1 HIS 38 HE1 HIS 38 -6.077 -13.781 27.718 233 HE2 HIS 38 HE2 HIS 38 -4.270 -12.080 27.278 234 H THR 39 H THR 39 -5.309 -13.971 20.214 235 HA THR 39 HA THR 39 -3.859 -16.123 18.941 236 HB THR 39 HB THR 39 -5.454 -15.559 16.985 237 HG1 THR 39 HG1 THR 39 -7.020 -14.056 17.361 238 HG21 THR 39 HG21 THR 39 -7.433 -16.517 18.085 239 HG22 THR 39 HG22 THR 39 -6.723 -16.214 19.672 240 HG23 THR 39 HG23 THR 39 -5.974 -17.378 18.573 241 H ARG 40 H ARG 40 -2.888 -13.033 19.322 242 HA ARG 40 HA ARG 40 -2.314 -11.977 16.806 243 HB2 ARG 40 HB2 ARG 40 -2.052 -10.709 18.906 244 HB3 ARG 40 HB3 ARG 40 -0.680 -11.718 19.365 245 HG2 ARG 40 HG2 ARG 40 0.637 -10.859 17.498 246 HG3 ARG 40 HG3 ARG 40 -0.748 -9.946 16.896 247 HD2 ARG 40 HD2 ARG 40 0.758 -8.446 18.039 248 HD3 ARG 40 HD3 ARG 40 -0.720 -8.595 18.976 249 HE ARG 40 HE ARG 40 0.480 -10.067 20.510 250 HH11 ARG 40 HH11 ARG 40 2.480 -8.128 18.349 251 HH12 ARG 40 HH12 ARG 40 3.822 -8.085 19.452 252 HH21 ARG 40 HH21 ARG 40 2.248 -9.979 21.930 253 HH22 ARG 40 HH22 ARG 40 3.693 -9.139 21.471 254 H PHE 41 H PHE 41 -0.501 -14.321 18.716 255 HA PHE 41 HA PHE 41 1.890 -14.254 17.147 256 HB2 PHE 41 HB2 PHE 41 1.007 -16.380 19.139 257 HB3 PHE 41 HB3 PHE 41 2.652 -16.094 18.571 258 HD1 PHE 41 HD1 PHE 41 3.458 -13.524 18.920 259 HD2 PHE 41 HD2 PHE 41 0.479 -15.510 21.257 260 HE1 PHE 41 HE1 PHE 41 3.835 -11.940 20.758 261 HE2 PHE 41 HE2 PHE 41 0.868 -13.919 23.089 262 HZ PHE 41 HZ PHE 41 2.540 -12.130 22.840 263 H VAL 42 H VAL 42 -1.001 -16.341 17.130 264 HA VAL 42 HA VAL 42 0.123 -18.224 15.247 265 HB VAL 42 HB VAL 42 -1.647 -18.893 16.913 266 HG11 VAL 42 HG11 VAL 42 -4.030 -18.476 16.434 267 HG12 VAL 42 HG12 VAL 42 -3.574 -17.398 15.110 268 HG13 VAL 42 HG13 VAL 42 -3.157 -16.978 16.772 269 HG21 VAL 42 HG21 VAL 42 -1.133 -20.342 15.000 270 HG22 VAL 42 HG22 VAL 42 -2.305 -19.478 14.002 271 HG23 VAL 42 HG23 VAL 42 -2.857 -20.429 15.383 272 H PHE 43 H PHE 43 -1.903 -15.316 15.039 273 HA PHE 43 HA PHE 43 -2.341 -15.391 12.206 274 HB2 PHE 43 HB2 PHE 43 -2.364 -13.085 14.200 275 HB3 PHE 43 HB3 PHE 43 -2.675 -12.839 12.486 276 HD1 PHE 43 HD1 PHE 43 -4.425 -15.064 11.760 277 HD2 PHE 43 HD2 PHE 43 -4.404 -12.704 15.321 278 HE1 PHE 43 HE1 PHE 43 -6.828 -15.485 12.054 279 HE2 PHE 43 HE2 PHE 43 -6.808 -13.143 15.619 280 HZ PHE 43 HZ PHE 43 -8.023 -14.536 13.986 281 H GLN 44 H GLN 44 0.286 -14.286 14.265 282 HA GLN 44 HA GLN 44 1.729 -12.707 12.370 283 HB2 GLN 44 HB2 GLN 44 1.913 -12.636 14.934 284 HB3 GLN 44 HB3 GLN 44 2.871 -14.104 14.841 285 HG2 GLN 44 HG2 GLN 44 3.651 -11.490 13.495 286 HG3 GLN 44 HG3 GLN 44 4.154 -11.937 15.125 287 HE21 GLN 44 HE21 GLN 44 4.676 -12.448 11.722 288 HE22 GLN 44 HE22 GLN 44 6.074 -13.444 11.872 289 H LYS 45 H LYS 45 2.144 -16.051 13.594 290 HA LYS 45 HA LYS 45 4.412 -16.606 11.929 291 HB2 LYS 45 HB2 LYS 45 4.268 -18.909 12.731 292 HB3 LYS 45 HB3 LYS 45 4.105 -17.778 14.069 293 HG2 LYS 45 HG2 LYS 45 1.706 -18.165 14.180 294 HG3 LYS 45 HG3 LYS 45 1.757 -19.162 12.725 295 HD2 LYS 45 HD2 LYS 45 1.587 -20.556 14.739 296 HD3 LYS 45 HD3 LYS 45 3.113 -20.845 13.901 297 HE2 LYS 45 HE2 LYS 45 4.294 -19.435 15.546 298 HE3 LYS 45 HE3 LYS 45 2.768 -19.084 16.362 299 HZ1 LYS 45 HZ1 LYS 45 2.552 -21.412 16.894 300 HZ2 LYS 45 HZ2 LYS 45 4.026 -20.816 17.475 301 HZ3 LYS 45 HZ3 LYS 45 3.990 -21.777 16.082 302 H ALA 46 H ALA 46 0.940 -17.086 11.588 303 HA ALA 46 HA ALA 46 0.999 -18.783 9.282 304 HB1 ALA 46 HB1 ALA 46 -1.372 -18.152 9.017 305 HB2 ALA 46 HB2 ALA 46 -1.174 -16.879 10.227 306 HB3 ALA 46 HB3 ALA 46 -1.006 -18.572 10.694 307 H LEU 47 H LEU 47 0.757 -15.279 9.779 308 HA LEU 47 HA LEU 47 0.700 -14.370 7.127 309 HB2 LEU 47 HB2 LEU 47 0.319 -12.866 9.018 310 HB3 LEU 47 HB3 LEU 47 1.939 -13.149 9.625 311 HG LEU 47 HG LEU 47 2.892 -11.967 7.652 312 HD11 LEU 47 HD11 LEU 47 1.143 -12.410 6.009 313 HD12 LEU 47 HD12 LEU 47 1.453 -10.683 6.148 314 HD13 LEU 47 HD13 LEU 47 0.015 -11.379 6.897 315 HD21 LEU 47 HD21 LEU 47 2.502 -10.719 9.727 316 HD22 LEU 47 HD22 LEU 47 0.860 -10.325 9.208 317 HD23 LEU 47 HD23 LEU 47 2.245 -9.689 8.318 318 H ARG 48 H ARG 48 3.437 -14.995 9.277 319 HA ARG 48 HA ARG 48 5.564 -14.276 7.593 320 HB2 ARG 48 HB2 ARG 48 5.635 -14.658 10.118 321 HB3 ARG 48 HB3 ARG 48 5.614 -16.384 9.795 322 HG2 ARG 48 HG2 ARG 48 7.878 -15.931 10.154 323 HG3 ARG 48 HG3 ARG 48 7.762 -15.967 8.393 324 HD2 ARG 48 HD2 ARG 48 9.109 -14.072 8.970 325 HD3 ARG 48 HD3 ARG 48 7.546 -13.431 8.461 326 HE ARG 48 HE ARG 48 7.667 -13.831 11.293 327 HH11 ARG 48 HH11 ARG 48 8.680 -11.592 8.797 328 HH12 ARG 48 HH12 ARG 48 8.755 -10.239 9.874 329 HH21 ARG 48 HH21 ARG 48 7.754 -12.052 12.699 330 HH22 ARG 48 HH22 ARG 48 8.227 -10.501 12.086 331 H SER 49 H SER 49 3.841 -17.278 8.083 332 HA SER 49 HA SER 49 5.499 -19.040 6.598 333 HB2 SER 49 HB2 SER 49 3.831 -19.676 8.408 334 HB3 SER 49 HB3 SER 49 2.541 -19.380 7.245 335 HG SER 49 HG SER 49 4.073 -20.956 5.961 336 H LEU 50 H LEU 50 2.709 -17.030 5.805 337 HA LEU 50 HA LEU 50 2.266 -18.053 3.161 338 HB2 LEU 50 HB2 LEU 50 0.598 -16.859 4.701 339 HB3 LEU 50 HB3 LEU 50 1.393 -15.355 4.283 340 HG LEU 50 HG LEU 50 0.140 -17.141 2.155 341 HD11 LEU 50 HD11 LEU 50 -1.262 -14.931 3.687 342 HD12 LEU 50 HD12 LEU 50 -1.602 -16.661 3.796 343 HD13 LEU 50 HD13 LEU 50 -1.904 -15.802 2.289 344 HD21 LEU 50 HD21 LEU 50 -0.045 -15.057 0.840 345 HD22 LEU 50 HD22 LEU 50 1.629 -15.401 1.268 346 HD23 LEU 50 HD23 LEU 50 0.736 -14.158 2.146 347 H GLN 51 H GLN 51 4.032 -15.313 4.561 348 HA GLN 51 HA GLN 51 4.723 -13.921 2.207 349 HB2 GLN 51 HB2 GLN 51 6.138 -14.011 4.909 350 HB3 GLN 51 HB3 GLN 51 6.504 -12.844 3.637 351 HG2 GLN 51 HG2 GLN 51 4.263 -11.891 3.820 352 HG3 GLN 51 HG3 GLN 51 3.811 -13.116 5.002 353 HE21 GLN 51 HE21 GLN 51 5.499 -10.125 4.502 354 HE22 GLN 51 HE22 GLN 51 5.832 -9.800 6.170 355 H ARG 52 H ARG 52 6.306 -16.624 3.869 356 HA ARG 52 HA ARG 52 8.614 -16.603 2.085 357 HB2 ARG 52 HB2 ARG 52 9.430 -18.512 3.389 358 HB3 ARG 52 HB3 ARG 52 8.941 -17.198 4.454 359 HG2 ARG 52 HG2 ARG 52 6.840 -18.388 4.973 360 HG3 ARG 52 HG3 ARG 52 7.301 -19.695 3.882 361 HD2 ARG 52 HD2 ARG 52 7.744 -20.361 6.175 362 HD3 ARG 52 HD3 ARG 52 9.282 -20.166 5.326 363 HE ARG 52 HE ARG 52 8.138 -18.281 7.310 364 HH11 ARG 52 HH11 ARG 52 10.944 -19.469 5.559 365 HH12 ARG 52 HH12 ARG 52 12.076 -18.602 6.547 366 HH21 ARG 52 HH21 ARG 52 9.647 -17.167 8.617 367 HH22 ARG 52 HH22 ARG 52 11.339 -17.304 8.273 368 H TYR 53 H TYR 53 5.584 -18.414 2.410 369 HA TYR 53 HA TYR 53 6.325 -20.636 0.739 370 HB2 TYR 53 HB2 TYR 53 4.531 -20.600 2.570 371 HB3 TYR 53 HB3 TYR 53 3.506 -19.717 1.451 372 HD1 TYR 53 HD1 TYR 53 5.676 -22.800 1.142 373 HD2 TYR 53 HD2 TYR 53 1.766 -21.126 0.706 374 HE1 TYR 53 HE1 TYR 53 4.828 -24.975 0.379 375 HE2 TYR 53 HE2 TYR 53 0.916 -23.310 -0.038 376 HH TYR 53 HH TYR 53 1.800 -25.392 -1.065 377 HA PRO 54 HA PRO 54 5.692 -18.095 -2.975 378 HB2 PRO 54 HB2 PRO 54 6.915 -19.650 -4.773 379 HB3 PRO 54 HB3 PRO 54 7.841 -18.957 -3.429 380 HG2 PRO 54 HG2 PRO 54 6.697 -21.742 -3.712 381 HG3 PRO 54 HG3 PRO 54 8.321 -21.255 -3.176 382 HD2 PRO 54 HD2 PRO 54 6.225 -21.871 -1.452 383 HD3 PRO 54 HD3 PRO 54 7.606 -20.841 -1.012 384 H LEU 55 H LEU 55 3.347 -19.478 -2.109 385 HA LEU 55 HA LEU 55 2.180 -20.397 -4.666 386 HB2 LEU 55 HB2 LEU 55 2.402 -22.239 -2.967 387 HB3 LEU 55 HB3 LEU 55 1.365 -21.324 -1.886 388 HG LEU 55 HG LEU 55 -0.482 -21.477 -3.604 389 HD11 LEU 55 HD11 LEU 55 0.869 -21.808 -5.621 390 HD12 LEU 55 HD12 LEU 55 -0.304 -23.108 -5.436 391 HD13 LEU 55 HD13 LEU 55 1.392 -23.391 -5.036 392 HD21 LEU 55 HD21 LEU 55 -1.081 -23.803 -3.148 393 HD22 LEU 55 HD22 LEU 55 -0.415 -23.036 -1.708 394 HD23 LEU 55 HD23 LEU 55 0.577 -24.154 -2.649 395 HA PRO 56 HA PRO 56 -0.639 -16.843 -4.045 396 HB2 PRO 56 HB2 PRO 56 -2.100 -18.361 -6.209 397 HB3 PRO 56 HB3 PRO 56 -1.681 -16.646 -6.131 398 HG2 PRO 56 HG2 PRO 56 -0.293 -18.228 -7.720 399 HG3 PRO 56 HG3 PRO 56 0.571 -17.039 -6.716 400 HD2 PRO 56 HD2 PRO 56 0.183 -20.000 -6.215 401 HD3 PRO 56 HD3 PRO 56 1.672 -19.038 -6.098 402 H LEU 57 H LEU 57 -1.294 -17.600 -1.951 403 HA LEU 57 HA LEU 57 -3.407 -19.573 -1.663 404 HB2 LEU 57 HB2 LEU 57 -2.135 -17.689 0.372 405 HB3 LEU 57 HB3 LEU 57 -3.306 -18.941 0.767 406 HG LEU 57 HG LEU 57 -0.496 -19.413 -0.337 407 HD11 LEU 57 HD11 LEU 57 -0.453 -18.692 2.006 408 HD12 LEU 57 HD12 LEU 57 0.021 -20.380 1.856 409 HD13 LEU 57 HD13 LEU 57 -1.593 -19.967 2.444 410 HD21 LEU 57 HD21 LEU 57 -2.058 -21.132 -1.146 411 HD22 LEU 57 HD22 LEU 57 -2.566 -21.470 0.513 412 HD23 LEU 57 HD23 LEU 57 -0.906 -21.801 0.008 413 H ARG 58 H ARG 58 -5.093 -18.671 -2.936 414 HA ARG 58 HA ARG 58 -6.562 -16.437 -1.638 415 HB2 ARG 58 HB2 ARG 58 -6.986 -17.611 -4.421 416 HB3 ARG 58 HB3 ARG 58 -8.025 -16.406 -3.681 417 HG2 ARG 58 HG2 ARG 58 -6.667 -15.178 -5.136 418 HG3 ARG 58 HG3 ARG 58 -5.952 -14.902 -3.547 419 HD2 ARG 58 HD2 ARG 58 -4.236 -15.301 -5.268 420 HD3 ARG 58 HD3 ARG 58 -4.210 -16.554 -4.029 421 HE ARG 58 HE ARG 58 -5.370 -18.034 -5.578 422 HH11 ARG 58 HH11 ARG 58 -3.739 -15.262 -7.009 423 HH12 ARG 58 HH12 ARG 58 -3.715 -15.959 -8.597 424 HH21 ARG 58 HH21 ARG 58 -5.307 -18.928 -7.662 425 HH22 ARG 58 HH22 ARG 58 -4.585 -18.038 -8.963 426 H SER 59 H SER 59 -6.643 -19.866 -2.392 427 HA SER 59 HA SER 59 -9.401 -20.223 -1.511 428 HB2 SER 59 HB2 SER 59 -7.283 -22.321 -2.174 429 HB3 SER 59 HB3 SER 59 -9.015 -22.606 -1.976 430 HG SER 59 HG SER 59 -9.194 -20.961 -3.756 431 H GLY 60 H GLY 60 -9.962 -20.518 0.588 432 HA2 GLY 60 HA2 GLY 60 -8.122 -20.312 2.739 433 HA3 GLY 60 HA3 GLY 60 -9.831 -20.695 2.867 434 H LYS 61 H LYS 61 -9.496 -23.051 1.116 435 HA LYS 61 HA LYS 61 -9.067 -25.155 2.909 436 HB2 LYS 61 HB2 LYS 61 -10.324 -25.229 0.738 437 HB3 LYS 61 HB3 LYS 61 -8.791 -25.179 -0.125 438 HG2 LYS 61 HG2 LYS 61 -8.174 -27.362 0.923 439 HG3 LYS 61 HG3 LYS 61 -9.759 -27.397 1.711 440 HD2 LYS 61 HD2 LYS 61 -10.844 -27.354 -0.542 441 HD3 LYS 61 HD3 LYS 61 -9.245 -27.393 -1.294 442 HE2 LYS 61 HE2 LYS 61 -10.199 -29.620 -1.315 443 HE3 LYS 61 HE3 LYS 61 -8.837 -29.598 -0.196 444 HZ1 LYS 61 HZ1 LYS 61 -11.678 -29.344 0.633 445 HZ2 LYS 61 HZ2 LYS 61 -10.331 -29.519 1.645 446 HZ3 LYS 61 HZ3 LYS 61 -10.808 -30.793 0.641 447 H GLU 62 H GLU 62 -6.807 -23.375 0.898 448 HA GLU 62 HA GLU 62 -4.646 -25.327 1.157 449 HB2 GLU 62 HB2 GLU 62 -4.667 -22.629 -0.251 450 HB3 GLU 62 HB3 GLU 62 -3.431 -23.880 -0.399 451 HG2 GLU 62 HG2 GLU 62 -6.310 -24.023 -1.350 452 HG3 GLU 62 HG3 GLU 62 -4.865 -23.894 -2.351 453 H ALA 63 H ALA 63 -5.785 -23.132 3.257 454 HA ALA 63 HA ALA 63 -3.320 -21.893 4.130 455 HB1 ALA 63 HB1 ALA 63 -4.680 -21.104 6.034 456 HB2 ALA 63 HB2 ALA 63 -6.025 -22.116 5.498 457 HB3 ALA 63 HB3 ALA 63 -5.467 -20.780 4.489 458 H LYS 64 H LYS 64 -5.288 -24.722 5.105 459 HA LYS 64 HA LYS 64 -3.891 -25.210 7.565 460 HB2 LYS 64 HB2 LYS 64 -6.307 -25.887 6.989 461 HB3 LYS 64 HB3 LYS 64 -5.621 -27.234 6.097 462 HG2 LYS 64 HG2 LYS 64 -4.672 -28.152 8.143 463 HG3 LYS 64 HG3 LYS 64 -5.155 -26.720 9.053 464 HD2 LYS 64 HD2 LYS 64 -6.730 -28.476 9.539 465 HD3 LYS 64 HD3 LYS 64 -7.555 -27.267 8.566 466 HE2 LYS 64 HE2 LYS 64 -7.290 -28.688 6.566 467 HE3 LYS 64 HE3 LYS 64 -6.426 -29.892 7.523 468 HZ1 LYS 64 HZ1 LYS 64 -8.737 -30.475 7.192 469 HZ2 LYS 64 HZ2 LYS 64 -9.238 -29.047 7.950 470 HZ3 LYS 64 HZ3 LYS 64 -8.409 -30.230 8.832 471 H ILE 65 H ILE 65 -3.111 -25.978 4.309 472 HA ILE 65 HA ILE 65 -1.730 -28.438 4.702 473 HB ILE 65 HB ILE 65 -0.770 -28.176 2.487 474 HG12 ILE 65 HG12 ILE 65 -1.778 -25.296 2.503 475 HG13 ILE 65 HG13 ILE 65 -0.093 -25.792 2.553 476 HG21 ILE 65 HG21 ILE 65 -2.835 -27.921 1.145 477 HG22 ILE 65 HG22 ILE 65 -3.638 -27.140 2.507 478 HG23 ILE 65 HG23 ILE 65 -3.154 -28.833 2.623 479 HD11 ILE 65 HD11 ILE 65 -2.008 -26.182 0.249 480 HD12 ILE 65 HD12 ILE 65 -0.333 -26.745 0.282 481 HD13 ILE 65 HD13 ILE 65 -0.687 -25.018 0.345 482 H LEU 66 H LEU 66 -0.879 -25.164 5.437 483 HA LEU 66 HA LEU 66 1.941 -25.858 5.956 484 HB2 LEU 66 HB2 LEU 66 0.596 -23.166 6.426 485 HB3 LEU 66 HB3 LEU 66 2.315 -23.516 6.421 486 HG LEU 66 HG LEU 66 1.898 -24.149 3.877 487 HD11 LEU 66 HD11 LEU 66 0.138 -22.863 2.778 488 HD12 LEU 66 HD12 LEU 66 -0.452 -22.283 4.338 489 HD13 LEU 66 HD13 LEU 66 -0.561 -23.998 3.934 490 HD21 LEU 66 HD21 LEU 66 2.348 -21.829 3.205 491 HD22 LEU 66 HD22 LEU 66 3.327 -22.318 4.583 492 HD23 LEU 66 HD23 LEU 66 1.925 -21.274 4.827 493 H GLN 67 H GLN 67 2.766 -25.925 8.014 494 HA GLN 67 HA GLN 67 1.072 -26.870 10.076 495 HB2 GLN 67 HB2 GLN 67 3.193 -26.964 11.447 496 HB3 GLN 67 HB3 GLN 67 3.289 -27.784 9.892 497 HG2 GLN 67 HG2 GLN 67 4.529 -25.871 8.945 498 HG3 GLN 67 HG3 GLN 67 4.407 -25.022 10.486 499 HE21 GLN 67 HE21 GLN 67 5.870 -27.746 8.816 500 HE22 GLN 67 HE22 GLN 67 7.156 -27.997 9.941 501 H HIS 68 H HIS 68 2.314 -23.661 9.430 502 HA HIS 68 HA HIS 68 2.230 -22.652 12.124 503 HB2 HIS 68 HB2 HIS 68 2.444 -21.235 9.443 504 HB3 HIS 68 HB3 HIS 68 2.494 -20.384 10.986 505 HD1 HIS 68 HD1 HIS 68 4.665 -22.017 8.581 506 HD2 HIS 68 HD2 HIS 68 4.723 -21.284 12.672 507 HE1 HIS 68 HE1 HIS 68 7.054 -22.353 9.291 508 HE2 HIS 68 HE2 HIS 68 7.027 -22.060 11.791 509 H PHE 69 H PHE 69 -0.162 -23.035 9.668 510 HA PHE 69 HA PHE 69 -2.001 -21.083 10.761 511 HB2 PHE 69 HB2 PHE 69 -2.364 -23.151 8.541 512 HB3 PHE 69 HB3 PHE 69 -3.579 -21.964 9.007 513 HD1 PHE 69 HD1 PHE 69 0.053 -22.040 7.968 514 HD2 PHE 69 HD2 PHE 69 -3.696 -20.011 7.681 515 HE1 PHE 69 HE1 PHE 69 1.016 -20.466 6.346 516 HE2 PHE 69 HE2 PHE 69 -2.715 -18.446 6.059 517 HZ PHE 69 HZ PHE 69 -0.363 -18.671 5.389 518 H GLY 70 H GLY 70 -2.660 -24.530 10.006 519 HA2 GLY 70 HA2 GLY 70 -3.488 -26.209 11.423 520 HA3 GLY 70 HA3 GLY 70 -3.631 -25.046 12.732 521 H ASP 71 H ASP 71 -5.734 -26.470 12.728 522 HA ASP 71 HA ASP 71 -7.694 -26.211 10.726 523 HB2 ASP 71 HB2 ASP 71 -7.879 -27.040 13.642 524 HB3 ASP 71 HB3 ASP 71 -9.284 -27.040 12.587 525 H ARG 72 H ARG 72 -7.349 -24.446 13.815 526 HA ARG 72 HA ARG 72 -9.813 -23.019 13.688 527 HB2 ARG 72 HB2 ARG 72 -7.243 -22.371 15.208 528 HB3 ARG 72 HB3 ARG 72 -8.774 -21.535 15.457 529 HG2 ARG 72 HG2 ARG 72 -8.281 -24.492 15.955 530 HG3 ARG 72 HG3 ARG 72 -8.318 -23.233 17.194 531 HD2 ARG 72 HD2 ARG 72 -10.680 -22.751 16.615 532 HD3 ARG 72 HD3 ARG 72 -10.643 -24.038 15.405 533 HE ARG 72 HE ARG 72 -9.951 -25.427 17.554 534 HH11 ARG 72 HH11 ARG 72 -12.420 -22.939 17.400 535 HH12 ARG 72 HH12 ARG 72 -13.468 -23.729 18.531 536 HH21 ARG 72 HH21 ARG 72 -11.314 -26.445 19.063 537 HH22 ARG 72 HH22 ARG 72 -12.836 -25.727 19.486 538 H LEU 73 H LEU 73 -6.503 -22.187 12.804 539 HA LEU 73 HA LEU 73 -6.918 -19.471 12.079 540 HB2 LEU 73 HB2 LEU 73 -4.739 -20.849 12.689 541 HB3 LEU 73 HB3 LEU 73 -4.687 -21.217 10.985 542 HG LEU 73 HG LEU 73 -3.146 -19.419 11.514 543 HD11 LEU 73 HD11 LEU 73 -4.152 -19.290 9.322 544 HD12 LEU 73 HD12 LEU 73 -3.823 -17.680 9.952 545 HD13 LEU 73 HD13 LEU 73 -5.477 -18.309 9.949 546 HD21 LEU 73 HD21 LEU 73 -3.838 -17.274 12.414 547 HD22 LEU 73 HD22 LEU 73 -4.218 -18.583 13.528 548 HD23 LEU 73 HD23 LEU 73 -5.503 -17.849 12.564 549 H CYS 74 H CYS 74 -6.530 -22.439 10.159 550 HA CYS 74 HA CYS 74 -6.883 -21.368 7.579 551 HB2 CYS 74 HB2 CYS 74 -5.947 -23.580 7.881 552 HB3 CYS 74 HB3 CYS 74 -7.420 -24.160 8.650 553 HG CYS 74 HG CYS 74 -8.454 -23.127 5.828 554 H ARG 75 H ARG 75 -9.216 -22.503 9.975 555 HA ARG 75 HA ARG 75 -11.503 -22.475 8.269 556 HB2 ARG 75 HB2 ARG 75 -11.394 -23.736 10.446 557 HB3 ARG 75 HB3 ARG 75 -11.459 -22.207 11.307 558 HG2 ARG 75 HG2 ARG 75 -13.660 -23.243 11.303 559 HG3 ARG 75 HG3 ARG 75 -13.704 -21.761 10.343 560 HD2 ARG 75 HD2 ARG 75 -13.393 -23.234 8.283 561 HD3 ARG 75 HD3 ARG 75 -13.661 -24.627 9.337 562 HE ARG 75 HE ARG 75 -15.635 -22.484 8.806 563 HH11 ARG 75 HH11 ARG 75 -15.009 -25.833 9.626 564 HH12 ARG 75 HH12 ARG 75 -16.679 -26.285 9.548 565 HH21 ARG 75 HH21 ARG 75 -17.792 -23.072 8.690 566 HH22 ARG 75 HH22 ARG 75 -18.268 -24.704 9.023 567 H MET 76 H MET 76 -9.987 -20.027 10.394 568 HA MET 76 HA MET 76 -11.855 -17.946 10.106 569 HB2 MET 76 HB2 MET 76 -8.828 -17.863 10.421 570 HB3 MET 76 HB3 MET 76 -9.831 -16.417 10.447 571 HG2 MET 76 HG2 MET 76 -10.184 -18.725 12.370 572 HG3 MET 76 HG3 MET 76 -9.187 -17.312 12.697 573 HE1 MET 76 HE1 MET 76 -10.848 -14.920 11.419 574 HE2 MET 76 HE2 MET 76 -10.184 -14.823 13.051 575 HE3 MET 76 HE3 MET 76 -11.878 -14.427 12.763 576 H LEU 77 H LEU 77 -8.960 -18.683 8.132 577 HA LEU 77 HA LEU 77 -9.349 -16.697 6.157 578 HB2 LEU 77 HB2 LEU 77 -7.738 -19.259 6.225 579 HB3 LEU 77 HB3 LEU 77 -7.858 -18.353 4.726 580 HG LEU 77 HG LEU 77 -6.840 -16.377 5.802 581 HD11 LEU 77 HD11 LEU 77 -7.580 -16.709 8.110 582 HD12 LEU 77 HD12 LEU 77 -5.834 -16.493 8.022 583 HD13 LEU 77 HD13 LEU 77 -6.511 -18.106 8.264 584 HD21 LEU 77 HD21 LEU 77 -5.398 -18.008 4.657 585 HD22 LEU 77 HD22 LEU 77 -5.167 -18.879 6.176 586 HD23 LEU 77 HD23 LEU 77 -4.564 -17.228 6.000 587 H ASP 78 H ASP 78 -10.572 -20.014 6.352 588 HA ASP 78 HA ASP 78 -11.448 -20.159 3.613 589 HB2 ASP 78 HB2 ASP 78 -10.773 -22.182 4.920 590 HB3 ASP 78 HB3 ASP 78 -12.191 -21.978 5.947 591 H GLU 79 H GLU 79 -13.049 -19.619 6.728 592 HA GLU 79 HA GLU 79 -15.700 -19.351 5.772 593 HB2 GLU 79 HB2 GLU 79 -14.326 -18.355 8.280 594 HB3 GLU 79 HB3 GLU 79 -16.003 -17.937 7.932 595 HG2 GLU 79 HG2 GLU 79 -14.877 -20.729 8.289 596 HG3 GLU 79 HG3 GLU 79 -15.874 -19.840 9.429 597 H LYS 80 H LYS 80 -13.188 -16.912 6.492 598 HA LYS 80 HA LYS 80 -14.690 -14.638 5.808 599 HB2 LYS 80 HB2 LYS 80 -11.703 -15.141 5.991 600 HB3 LYS 80 HB3 LYS 80 -12.331 -13.563 5.525 601 HG2 LYS 80 HG2 LYS 80 -13.008 -14.989 8.121 602 HG3 LYS 80 HG3 LYS 80 -11.773 -13.743 7.957 603 HD2 LYS 80 HD2 LYS 80 -14.754 -13.370 7.436 604 HD3 LYS 80 HD3 LYS 80 -13.886 -12.841 8.880 605 HE2 LYS 80 HE2 LYS 80 -12.572 -11.263 7.564 606 HE3 LYS 80 HE3 LYS 80 -13.292 -11.859 6.065 607 HZ1 LYS 80 HZ1 LYS 80 -14.805 -10.559 8.252 608 HZ2 LYS 80 HZ2 LYS 80 -15.414 -11.027 6.743 609 HZ3 LYS 80 HZ3 LYS 80 -14.272 -9.781 6.851 610 H LEU 81 H LEU 81 -12.493 -16.631 3.820 611 HA LEU 81 HA LEU 81 -12.642 -15.131 1.427 612 HB2 LEU 81 HB2 LEU 81 -10.941 -16.878 1.892 613 HB3 LEU 81 HB3 LEU 81 -12.164 -18.120 1.793 614 HG LEU 81 HG LEU 81 -10.539 -17.800 -0.196 615 HD11 LEU 81 HD11 LEU 81 -12.419 -19.294 -0.371 616 HD12 LEU 81 HD12 LEU 81 -12.176 -18.431 -1.886 617 HD13 LEU 81 HD13 LEU 81 -13.490 -17.959 -0.804 618 HD21 LEU 81 HD21 LEU 81 -11.115 -16.164 -1.897 619 HD22 LEU 81 HD22 LEU 81 -10.704 -15.363 -0.382 620 HD23 LEU 81 HD23 LEU 81 -12.395 -15.505 -0.873 621 H LYS 82 H LYS 82 -14.603 -17.744 2.731 622 HA LYS 82 HA LYS 82 -16.370 -18.209 0.594 623 HB2 LYS 82 HB2 LYS 82 -16.052 -19.650 2.631 624 HB3 LYS 82 HB3 LYS 82 -16.906 -18.447 3.584 625 HG2 LYS 82 HG2 LYS 82 -18.946 -18.872 2.200 626 HG3 LYS 82 HG3 LYS 82 -18.060 -20.150 1.358 627 HD2 LYS 82 HD2 LYS 82 -18.572 -20.114 4.370 628 HD3 LYS 82 HD3 LYS 82 -19.574 -20.978 3.207 629 HE2 LYS 82 HE2 LYS 82 -18.110 -22.596 4.172 630 HE3 LYS 82 HE3 LYS 82 -17.488 -22.289 2.557 631 HZ1 LYS 82 HZ1 LYS 82 -16.408 -21.154 5.076 632 HZ2 LYS 82 HZ2 LYS 82 -15.787 -20.871 3.526 633 HZ3 LYS 82 HZ3 LYS 82 -15.730 -22.420 4.185 634 H GLN 83 H GLN 83 -16.452 -15.801 3.253 635 HA GLN 83 HA GLN 83 -19.114 -14.850 2.622 636 HB2 GLN 83 HB2 GLN 83 -17.082 -13.355 4.317 637 HB3 GLN 83 HB3 GLN 83 -18.837 -13.252 4.385 638 HG2 GLN 83 HG2 GLN 83 -17.157 -15.602 5.246 639 HG3 GLN 83 HG3 GLN 83 -17.883 -14.424 6.308 640 HE21 GLN 83 HE21 GLN 83 -18.957 -16.069 7.445 641 HE22 GLN 83 HE22 GLN 83 -20.322 -16.905 6.796 642 H HIS 84 H HIS 84 -15.815 -13.841 1.966 643 HA HIS 84 HA HIS 84 -16.079 -11.406 0.682 644 HB2 HIS 84 HB2 HIS 84 -13.880 -12.275 1.146 645 HB3 HIS 84 HB3 HIS 84 -14.185 -13.752 0.249 646 HD1 HIS 84 HD1 HIS 84 -13.486 -10.073 -0.339 647 HD2 HIS 84 HD2 HIS 84 -13.395 -13.687 -2.389 648 HE1 HIS 84 HE1 HIS 84 -12.354 -9.577 -2.526 649 HE2 HIS 84 HE2 HIS 84 -12.123 -11.820 -3.645 650 H LEU 85 H LEU 85 -16.235 -14.657 -0.731 651 HA LEU 85 HA LEU 85 -16.991 -13.907 -3.356 652 HB2 LEU 85 HB2 LEU 85 -17.414 -16.526 -1.871 653 HB3 LEU 85 HB3 LEU 85 -17.634 -16.310 -3.603 654 HG LEU 85 HG LEU 85 -14.997 -16.084 -2.089 655 HD11 LEU 85 HD11 LEU 85 -15.763 -18.392 -2.305 656 HD12 LEU 85 HD12 LEU 85 -14.356 -18.105 -3.325 657 HD13 LEU 85 HD13 LEU 85 -15.966 -18.188 -4.048 658 HD21 LEU 85 HD21 LEU 85 -14.996 -14.500 -3.944 659 HD22 LEU 85 HD22 LEU 85 -15.528 -15.757 -5.063 660 HD23 LEU 85 HD23 LEU 85 -13.933 -15.858 -4.310 661 H ALA 86 H ALA 86 -18.868 -15.024 -0.535 662 HA ALA 86 HA ALA 86 -21.385 -15.188 -1.799 663 HB1 ALA 86 HB1 ALA 86 -22.303 -15.451 0.464 664 HB2 ALA 86 HB2 ALA 86 -20.785 -14.868 1.158 665 HB3 ALA 86 HB3 ALA 86 -20.819 -16.393 0.276 666 H SER 87 H SER 87 -19.665 -12.407 -0.653 667 HA SER 87 HA SER 87 -22.120 -10.747 -0.641 668 HB2 SER 87 HB2 SER 87 -19.384 -10.105 0.538 669 HB3 SER 87 HB3 SER 87 -20.853 -9.138 0.706 670 HG SER 87 HG SER 87 -20.489 -11.792 1.644 671 H GLY 88 H GLY 88 -19.308 -11.437 -2.560 672 HA2 GLY 88 HA2 GLY 88 -20.086 -9.383 -4.464 673 HA3 GLY 88 HA3 GLY 88 -18.541 -9.065 -3.692 674 H GLY 89 H GLY 89 -17.270 -11.425 -3.629 675 HA2 GLY 89 HA2 GLY 89 -16.053 -11.442 -6.146 676 HA3 GLY 89 HA3 GLY 89 -15.758 -12.609 -4.873 677 H ASP 90 H ASP 90 -18.669 -13.425 -5.037 678 HA ASP 90 HA ASP 90 -18.501 -15.224 -7.375 679 HB2 ASP 90 HB2 ASP 90 -18.546 -16.454 -5.250 680 HB3 ASP 90 HB3 ASP 90 -19.962 -15.559 -4.714 Start of MODEL 14 1 H ARG 11 H ARG 11 15.729 -11.996 2.645 2 HA ARG 11 HA ARG 11 13.958 -13.623 2.942 3 HB2 ARG 11 HB2 ARG 11 13.081 -10.712 3.205 4 HB3 ARG 11 HB3 ARG 11 12.317 -12.071 4.031 5 HG2 ARG 11 HG2 ARG 11 14.431 -12.493 5.260 6 HG3 ARG 11 HG3 ARG 11 15.169 -11.105 4.451 7 HD2 ARG 11 HD2 ARG 11 13.454 -9.623 5.472 8 HD3 ARG 11 HD3 ARG 11 12.765 -11.013 6.321 9 HE ARG 11 HE ARG 11 15.331 -11.086 7.139 10 HH11 ARG 11 HH11 ARG 11 13.106 -8.371 7.006 11 HH12 ARG 11 HH12 ARG 11 13.794 -7.582 8.382 12 HH21 ARG 11 HH21 ARG 11 16.219 -10.054 8.944 13 HH22 ARG 11 HH22 ARG 11 15.566 -8.547 9.496 14 HA PRO 12 HA PRO 12 11.114 -13.824 -0.564 15 HB2 PRO 12 HB2 PRO 12 9.374 -15.677 0.930 16 HB3 PRO 12 HB3 PRO 12 10.441 -16.017 -0.438 17 HG2 PRO 12 HG2 PRO 12 10.950 -16.940 2.083 18 HG3 PRO 12 HG3 PRO 12 12.236 -16.572 0.915 19 HD2 PRO 12 HD2 PRO 12 11.209 -14.864 3.200 20 HD3 PRO 12 HD3 PRO 12 12.889 -15.216 2.722 21 H LEU 13 H LEU 13 10.298 -11.763 -0.517 22 HA LEU 13 HA LEU 13 7.909 -11.195 1.131 23 HB2 LEU 13 HB2 LEU 13 10.013 -9.640 1.136 24 HB3 LEU 13 HB3 LEU 13 9.504 -9.144 -0.462 25 HG LEU 13 HG LEU 13 8.864 -7.535 1.336 26 HD11 LEU 13 HD11 LEU 13 6.438 -8.732 -0.022 27 HD12 LEU 13 HD12 LEU 13 7.548 -7.549 -0.721 28 HD13 LEU 13 HD13 LEU 13 6.568 -7.112 0.677 29 HD21 LEU 13 HD21 LEU 13 7.104 -8.063 2.947 30 HD22 LEU 13 HD22 LEU 13 8.491 -9.130 3.157 31 HD23 LEU 13 HD23 LEU 13 7.033 -9.727 2.357 32 HA PRO 14 HA PRO 14 5.904 -11.903 -2.941 33 HB2 PRO 14 HB2 PRO 14 3.353 -12.202 -2.024 34 HB3 PRO 14 HB3 PRO 14 4.556 -13.493 -1.908 35 HG2 PRO 14 HG2 PRO 14 3.636 -11.568 0.222 36 HG3 PRO 14 HG3 PRO 14 3.969 -13.309 0.355 37 HD2 PRO 14 HD2 PRO 14 5.756 -11.356 1.138 38 HD3 PRO 14 HD3 PRO 14 6.250 -12.979 0.605 39 H VAL 15 H VAL 15 6.340 -9.819 -3.716 40 HA VAL 15 HA VAL 15 4.929 -7.466 -2.866 41 HB VAL 15 HB VAL 15 6.001 -6.324 -4.770 42 HG11 VAL 15 HG11 VAL 15 8.378 -6.707 -4.158 43 HG12 VAL 15 HG12 VAL 15 7.928 -8.197 -3.325 44 HG13 VAL 15 HG13 VAL 15 7.342 -6.642 -2.729 45 HG21 VAL 15 HG21 VAL 15 5.768 -8.069 -6.493 46 HG22 VAL 15 HG22 VAL 15 6.939 -9.088 -5.656 47 HG23 VAL 15 HG23 VAL 15 7.456 -7.561 -6.377 48 H CYS 16 H CYS 16 3.891 -10.105 -4.630 49 HA CYS 16 HA CYS 16 2.116 -8.787 -6.509 50 HB2 CYS 16 HB2 CYS 16 2.236 -11.730 -5.718 51 HB3 CYS 16 HB3 CYS 16 1.528 -11.048 -7.186 52 HG CYS 16 HG CYS 16 4.517 -10.002 -7.336 53 HA PRO 17 HA PRO 17 -1.070 -8.795 -3.156 54 HB2 PRO 17 HB2 PRO 17 -2.485 -6.708 -4.665 55 HB3 PRO 17 HB3 PRO 17 -1.678 -6.582 -3.099 56 HG2 PRO 17 HG2 PRO 17 -0.741 -5.347 -5.367 57 HG3 PRO 17 HG3 PRO 17 0.312 -5.849 -4.026 58 HD2 PRO 17 HD2 PRO 17 -0.237 -7.272 -6.645 59 HD3 PRO 17 HD3 PRO 17 1.313 -6.990 -5.815 60 H ASN 18 H ASN 18 -1.910 -10.786 -3.639 61 HA ASN 18 HA ASN 18 -4.297 -10.934 -5.249 62 HB2 ASN 18 HB2 ASN 18 -2.683 -11.405 -7.024 63 HB3 ASN 18 HB3 ASN 18 -1.895 -12.638 -6.050 64 HD21 ASN 18 HD21 ASN 18 -4.797 -11.844 -7.871 65 HD22 ASN 18 HD22 ASN 18 -5.354 -13.464 -8.063 66 HA PRO 19 HA PRO 19 -3.921 -14.844 -2.265 67 HB2 PRO 19 HB2 PRO 19 -1.574 -14.045 -0.558 68 HB3 PRO 19 HB3 PRO 19 -2.052 -15.651 -1.128 69 HG2 PRO 19 HG2 PRO 19 0.053 -14.396 -2.212 70 HG3 PRO 19 HG3 PRO 19 -1.049 -15.352 -3.227 71 HD2 PRO 19 HD2 PRO 19 -0.932 -12.350 -2.861 72 HD3 PRO 19 HD3 PRO 19 -1.124 -13.297 -4.357 73 H LEU 20 H LEU 20 -5.762 -13.915 -1.447 74 HA LEU 20 HA LEU 20 -5.957 -11.348 -0.271 75 HB2 LEU 20 HB2 LEU 20 -7.944 -13.642 -0.053 76 HB3 LEU 20 HB3 LEU 20 -8.295 -11.937 0.193 77 HG LEU 20 HG LEU 20 -7.575 -13.284 -2.444 78 HD11 LEU 20 HD11 LEU 20 -10.168 -11.988 -1.540 79 HD12 LEU 20 HD12 LEU 20 -9.868 -13.717 -1.747 80 HD13 LEU 20 HD13 LEU 20 -9.841 -12.650 -3.148 81 HD21 LEU 20 HD21 LEU 20 -8.059 -10.335 -1.912 82 HD22 LEU 20 HD22 LEU 20 -7.919 -11.080 -3.508 83 HD23 LEU 20 HD23 LEU 20 -6.541 -11.087 -2.412 84 H PHE 21 H PHE 21 -5.139 -14.377 1.090 85 HA PHE 21 HA PHE 21 -6.040 -14.006 3.757 86 HB2 PHE 21 HB2 PHE 21 -3.874 -15.843 2.671 87 HB3 PHE 21 HB3 PHE 21 -4.629 -15.977 4.258 88 HD1 PHE 21 HD1 PHE 21 -7.500 -15.294 3.129 89 HD2 PHE 21 HD2 PHE 21 -4.494 -18.115 2.031 90 HE1 PHE 21 HE1 PHE 21 -9.226 -16.778 2.231 91 HE2 PHE 21 HE2 PHE 21 -6.234 -19.590 1.132 92 HZ PHE 21 HZ PHE 21 -8.596 -18.922 1.231 93 H VAL 22 H VAL 22 -3.233 -12.819 2.030 94 HA VAL 22 HA VAL 22 -1.516 -12.468 4.276 95 HB VAL 22 HB VAL 22 -0.151 -10.957 2.950 96 HG11 VAL 22 HG11 VAL 22 0.100 -13.343 2.466 97 HG12 VAL 22 HG12 VAL 22 0.387 -12.389 1.010 98 HG13 VAL 22 HG13 VAL 22 -1.144 -13.245 1.214 99 HG21 VAL 22 HG21 VAL 22 -1.834 -9.537 1.888 100 HG22 VAL 22 HG22 VAL 22 -2.387 -10.878 0.888 101 HG23 VAL 22 HG23 VAL 22 -0.771 -10.214 0.650 102 H ARG 23 H ARG 23 -3.971 -10.335 2.750 103 HA ARG 23 HA ARG 23 -3.424 -8.090 4.464 104 HB2 ARG 23 HB2 ARG 23 -5.335 -6.997 3.460 105 HB3 ARG 23 HB3 ARG 23 -4.457 -7.830 2.183 106 HG2 ARG 23 HG2 ARG 23 -6.136 -9.561 2.044 107 HG3 ARG 23 HG3 ARG 23 -6.952 -8.977 3.496 108 HD2 ARG 23 HD2 ARG 23 -6.760 -7.550 0.824 109 HD3 ARG 23 HD3 ARG 23 -8.196 -8.322 1.499 110 HE ARG 23 HE ARG 23 -8.015 -6.618 3.345 111 HH11 ARG 23 HH11 ARG 23 -6.727 -5.872 0.156 112 HH12 ARG 23 HH12 ARG 23 -6.943 -4.165 0.349 113 HH21 ARG 23 HH21 ARG 23 -8.236 -4.382 3.587 114 HH22 ARG 23 HH22 ARG 23 -7.780 -3.323 2.294 115 H TRP 24 H TRP 24 -5.671 -10.821 4.497 116 HA TRP 24 HA TRP 24 -7.257 -9.869 6.681 117 HB2 TRP 24 HB2 TRP 24 -6.994 -12.633 5.421 118 HB3 TRP 24 HB3 TRP 24 -8.117 -12.277 6.735 119 HD1 TRP 24 HD1 TRP 24 -8.897 -9.308 5.497 120 HE1 TRP 24 HE1 TRP 24 -10.573 -9.231 3.570 121 HE3 TRP 24 HE3 TRP 24 -8.471 -14.121 3.831 122 HZ2 TRP 24 HZ2 TRP 24 -11.601 -10.941 1.603 123 HZ3 TRP 24 HZ3 TRP 24 -9.852 -14.824 1.923 124 HH2 TRP 24 HH2 TRP 24 -11.388 -13.269 0.827 125 H LEU 25 H LEU 25 -4.348 -11.891 6.492 126 HA LEU 25 HA LEU 25 -4.282 -12.446 9.324 127 HB2 LEU 25 HB2 LEU 25 -2.239 -12.817 7.111 128 HB3 LEU 25 HB3 LEU 25 -1.859 -13.173 8.794 129 HG LEU 25 HG LEU 25 -4.067 -14.514 7.173 130 HD11 LEU 25 HD11 LEU 25 -1.858 -15.223 6.405 131 HD12 LEU 25 HD12 LEU 25 -2.684 -16.535 7.243 132 HD13 LEU 25 HD13 LEU 25 -1.391 -15.645 8.057 133 HD21 LEU 25 HD21 LEU 25 -4.627 -14.315 9.571 134 HD22 LEU 25 HD22 LEU 25 -3.118 -15.130 9.997 135 HD23 LEU 25 HD23 LEU 25 -4.367 -15.986 9.092 136 H THR 26 H THR 26 -3.060 -9.878 7.261 137 HA THR 26 HA THR 26 -1.264 -8.697 9.148 138 HB THR 26 HB THR 26 -2.682 -7.471 6.738 139 HG1 THR 26 HG1 THR 26 -0.965 -9.250 6.633 140 HG21 THR 26 HG21 THR 26 -0.355 -6.328 8.343 141 HG22 THR 26 HG22 THR 26 -1.989 -5.662 8.282 142 HG23 THR 26 HG23 THR 26 -0.987 -5.667 6.832 143 H GLU 27 H GLU 27 -4.687 -8.026 8.275 144 HA GLU 27 HA GLU 27 -4.986 -5.819 10.059 145 HB2 GLU 27 HB2 GLU 27 -7.386 -5.910 9.553 146 HB3 GLU 27 HB3 GLU 27 -6.439 -6.061 8.080 147 HG2 GLU 27 HG2 GLU 27 -6.843 -8.481 8.037 148 HG3 GLU 27 HG3 GLU 27 -7.741 -8.377 9.548 149 H TRP 28 H TRP 28 -5.716 -9.298 10.338 150 HA TRP 28 HA TRP 28 -7.053 -9.180 12.850 151 HB2 TRP 28 HB2 TRP 28 -5.669 -11.432 11.364 152 HB3 TRP 28 HB3 TRP 28 -6.390 -11.681 12.950 153 HD1 TRP 28 HD1 TRP 28 -8.898 -9.532 11.720 154 HE1 TRP 28 HE1 TRP 28 -10.753 -10.814 10.491 155 HE3 TRP 28 HE3 TRP 28 -6.433 -13.915 10.877 156 HZ2 TRP 28 HZ2 TRP 28 -11.126 -13.320 9.326 157 HZ3 TRP 28 HZ3 TRP 28 -7.614 -15.710 9.698 158 HH2 TRP 28 HH2 TRP 28 -9.913 -15.423 8.931 159 H ARG 29 H ARG 29 -3.674 -9.713 11.918 160 HA ARG 29 HA ARG 29 -2.592 -10.267 14.464 161 HB2 ARG 29 HB2 ARG 29 -1.452 -10.592 12.228 162 HB3 ARG 29 HB3 ARG 29 -1.230 -8.848 12.137 163 HG2 ARG 29 HG2 ARG 29 0.083 -9.048 14.328 164 HG3 ARG 29 HG3 ARG 29 0.038 -10.799 14.080 165 HD2 ARG 29 HD2 ARG 29 2.137 -9.908 13.227 166 HD3 ARG 29 HD3 ARG 29 1.159 -10.474 11.872 167 HE ARG 29 HE ARG 29 0.592 -8.150 11.401 168 HH11 ARG 29 HH11 ARG 29 3.377 -8.607 13.515 169 HH12 ARG 29 HH12 ARG 29 4.027 -7.040 13.162 170 HH21 ARG 29 HH21 ARG 29 1.473 -6.106 10.985 171 HH22 ARG 29 HH22 ARG 29 2.952 -5.636 11.753 172 H ASP 30 H ASP 30 -3.251 -7.276 12.737 173 HA ASP 30 HA ASP 30 -2.076 -5.404 14.523 174 HB2 ASP 30 HB2 ASP 30 -2.641 -4.896 12.151 175 HB3 ASP 30 HB3 ASP 30 -4.354 -5.044 12.522 176 H GLU 31 H GLU 31 -5.410 -6.608 14.124 177 HA GLU 31 HA GLU 31 -6.619 -5.116 16.217 178 HB2 GLU 31 HB2 GLU 31 -7.474 -7.713 14.867 179 HB3 GLU 31 HB3 GLU 31 -8.484 -6.822 16.005 180 HG2 GLU 31 HG2 GLU 31 -7.492 -5.788 13.327 181 HG3 GLU 31 HG3 GLU 31 -9.115 -6.387 13.656 182 H ALA 32 H ALA 32 -5.007 -8.229 16.097 183 HA ALA 32 HA ALA 32 -5.738 -9.117 18.725 184 HB1 ALA 32 HB1 ALA 32 -4.176 -10.970 18.289 185 HB2 ALA 32 HB2 ALA 32 -3.590 -10.140 16.841 186 HB3 ALA 32 HB3 ALA 32 -5.257 -10.709 16.918 187 H ALA 33 H ALA 33 -3.196 -7.170 17.373 188 HA ALA 33 HA ALA 33 -1.472 -7.167 19.686 189 HB1 ALA 33 HB1 ALA 33 -0.616 -6.587 17.440 190 HB2 ALA 33 HB2 ALA 33 -0.363 -5.261 18.578 191 HB3 ALA 33 HB3 ALA 33 -1.672 -5.174 17.395 192 H SER 34 H SER 34 -3.750 -4.817 18.268 193 HA SER 34 HA SER 34 -3.517 -2.815 20.220 194 HB2 SER 34 HB2 SER 34 -5.853 -3.321 18.324 195 HB3 SER 34 HB3 SER 34 -5.446 -1.786 19.094 196 HG SER 34 HG SER 34 -4.494 -2.854 16.814 197 H ARG 35 H ARG 35 -5.957 -5.359 19.808 198 HA ARG 35 HA ARG 35 -7.583 -4.503 22.055 199 HB2 ARG 35 HB2 ARG 35 -8.397 -5.588 19.820 200 HB3 ARG 35 HB3 ARG 35 -7.902 -7.117 20.522 201 HG2 ARG 35 HG2 ARG 35 -10.288 -6.805 20.810 202 HG3 ARG 35 HG3 ARG 35 -9.497 -6.761 22.390 203 HD2 ARG 35 HD2 ARG 35 -9.737 -4.394 22.549 204 HD3 ARG 35 HD3 ARG 35 -10.158 -4.243 20.839 205 HE ARG 35 HE ARG 35 -11.938 -5.702 22.684 206 HH11 ARG 35 HH11 ARG 35 -11.432 -2.984 20.526 207 HH12 ARG 35 HH12 ARG 35 -13.110 -2.579 20.450 208 HH21 ARG 35 HH21 ARG 35 -14.149 -5.185 22.540 209 HH22 ARG 35 HH22 ARG 35 -14.654 -3.833 21.578 210 H GLY 36 H GLY 36 -4.887 -6.595 21.553 211 HA2 GLY 36 HA2 GLY 36 -3.601 -7.788 23.045 212 HA3 GLY 36 HA3 GLY 36 -4.705 -7.324 24.331 213 H ARG 37 H ARG 37 -4.110 -9.591 21.752 214 HA ARG 37 HA ARG 37 -6.072 -11.507 22.848 215 HB2 ARG 37 HB2 ARG 37 -6.438 -10.209 20.429 216 HB3 ARG 37 HB3 ARG 37 -5.546 -11.617 19.889 217 HG2 ARG 37 HG2 ARG 37 -7.675 -12.438 19.678 218 HG3 ARG 37 HG3 ARG 37 -7.384 -12.908 21.353 219 HD2 ARG 37 HD2 ARG 37 -8.946 -10.490 20.367 220 HD3 ARG 37 HD3 ARG 37 -9.585 -11.911 21.195 221 HE ARG 37 HE ARG 37 -7.756 -10.806 22.946 222 HH11 ARG 37 HH11 ARG 37 -10.770 -9.799 21.489 223 HH12 ARG 37 HH12 ARG 37 -11.101 -8.610 22.701 224 HH21 ARG 37 HH21 ARG 37 -8.165 -9.234 24.509 225 HH22 ARG 37 HH22 ARG 37 -9.615 -8.293 24.425 226 H HIS 38 H HIS 38 -5.379 -13.674 22.879 227 HA HIS 38 HA HIS 38 -2.604 -14.259 22.928 228 HB2 HIS 38 HB2 HIS 38 -4.921 -16.214 22.608 229 HB3 HIS 38 HB3 HIS 38 -3.274 -16.665 23.013 230 HD1 HIS 38 HD1 HIS 38 -2.450 -16.022 25.447 231 HD2 HIS 38 HD2 HIS 38 -6.500 -15.448 24.740 232 HE1 HIS 38 HE1 HIS 38 -3.501 -15.820 27.714 233 HE2 HIS 38 HE2 HIS 38 -5.971 -15.671 27.260 234 H THR 39 H THR 39 -5.004 -14.377 20.410 235 HA THR 39 HA THR 39 -3.695 -16.037 18.527 236 HB THR 39 HB THR 39 -5.373 -15.044 16.898 237 HG1 THR 39 HG1 THR 39 -6.813 -13.540 17.648 238 HG21 THR 39 HG21 THR 39 -5.942 -17.063 18.197 239 HG22 THR 39 HG22 THR 39 -7.354 -16.031 17.970 240 HG23 THR 39 HG23 THR 39 -6.522 -16.053 19.526 241 H ARG 40 H ARG 40 -2.846 -12.897 19.468 242 HA ARG 40 HA ARG 40 -1.924 -11.589 17.213 243 HB2 ARG 40 HB2 ARG 40 -1.729 -10.516 19.359 244 HB3 ARG 40 HB3 ARG 40 -0.761 -11.828 20.017 245 HG2 ARG 40 HG2 ARG 40 0.627 -9.864 19.660 246 HG3 ARG 40 HG3 ARG 40 1.138 -11.161 18.582 247 HD2 ARG 40 HD2 ARG 40 -0.196 -10.037 16.745 248 HD3 ARG 40 HD3 ARG 40 -0.468 -8.686 17.857 249 HE ARG 40 HE ARG 40 2.305 -9.323 17.647 250 HH11 ARG 40 HH11 ARG 40 -0.234 -7.621 15.916 251 HH12 ARG 40 HH12 ARG 40 0.878 -6.622 15.045 252 HH21 ARG 40 HH21 ARG 40 3.736 -8.008 16.494 253 HH22 ARG 40 HH22 ARG 40 3.119 -6.824 15.383 254 H PHE 41 H PHE 41 -0.385 -14.224 18.994 255 HA PHE 41 HA PHE 41 2.065 -14.200 17.525 256 HB2 PHE 41 HB2 PHE 41 0.937 -16.322 19.392 257 HB3 PHE 41 HB3 PHE 41 2.606 -16.231 18.834 258 HD1 PHE 41 HD1 PHE 41 3.293 -13.387 19.124 259 HD2 PHE 41 HD2 PHE 41 0.981 -15.892 21.714 260 HE1 PHE 41 HE1 PHE 41 3.869 -11.954 21.039 261 HE2 PHE 41 HE2 PHE 41 1.567 -14.451 23.618 262 HZ PHE 41 HZ PHE 41 3.011 -12.485 23.285 263 H VAL 42 H VAL 42 -0.953 -16.105 17.263 264 HA VAL 42 HA VAL 42 0.176 -18.026 15.438 265 HB VAL 42 HB VAL 42 -1.785 -18.580 16.935 266 HG11 VAL 42 HG11 VAL 42 -3.450 -17.017 14.935 267 HG12 VAL 42 HG12 VAL 42 -3.164 -16.568 16.614 268 HG13 VAL 42 HG13 VAL 42 -4.078 -18.028 16.242 269 HG21 VAL 42 HG21 VAL 42 -1.155 -20.046 15.072 270 HG22 VAL 42 HG22 VAL 42 -2.179 -19.120 13.973 271 HG23 VAL 42 HG23 VAL 42 -2.908 -20.046 15.287 272 H PHE 43 H PHE 43 -1.790 -15.061 15.058 273 HA PHE 43 HA PHE 43 -2.121 -15.226 12.221 274 HB2 PHE 43 HB2 PHE 43 -2.174 -12.778 14.043 275 HB3 PHE 43 HB3 PHE 43 -2.675 -12.774 12.356 276 HD1 PHE 43 HD1 PHE 43 -4.192 -15.447 12.383 277 HD2 PHE 43 HD2 PHE 43 -4.243 -12.111 15.054 278 HE1 PHE 43 HE1 PHE 43 -6.492 -16.005 13.041 279 HE2 PHE 43 HE2 PHE 43 -6.550 -12.673 15.700 280 HZ PHE 43 HZ PHE 43 -7.676 -14.619 14.693 281 H GLN 44 H GLN 44 0.363 -13.936 14.338 282 HA GLN 44 HA GLN 44 1.899 -12.452 12.491 283 HB2 GLN 44 HB2 GLN 44 2.180 -12.175 14.909 284 HB3 GLN 44 HB3 GLN 44 2.685 -13.849 15.083 285 HG2 GLN 44 HG2 GLN 44 4.595 -12.356 15.266 286 HG3 GLN 44 HG3 GLN 44 4.753 -13.367 13.834 287 HE21 GLN 44 HE21 GLN 44 4.582 -12.399 11.776 288 HE22 GLN 44 HE22 GLN 44 4.702 -10.688 11.550 289 H LYS 45 H LYS 45 2.363 -15.787 13.732 290 HA LYS 45 HA LYS 45 4.616 -16.321 12.046 291 HB2 LYS 45 HB2 LYS 45 4.548 -18.587 12.930 292 HB3 LYS 45 HB3 LYS 45 4.329 -17.425 14.232 293 HG2 LYS 45 HG2 LYS 45 1.900 -17.890 14.258 294 HG3 LYS 45 HG3 LYS 45 2.095 -19.041 12.933 295 HD2 LYS 45 HD2 LYS 45 3.342 -19.293 15.705 296 HD3 LYS 45 HD3 LYS 45 1.926 -20.180 15.131 297 HE2 LYS 45 HE2 LYS 45 3.279 -21.322 13.448 298 HE3 LYS 45 HE3 LYS 45 4.696 -20.366 13.891 299 HZ1 LYS 45 HZ1 LYS 45 4.649 -21.389 16.074 300 HZ2 LYS 45 HZ2 LYS 45 4.764 -22.555 14.856 301 HZ3 LYS 45 HZ3 LYS 45 3.291 -22.300 15.642 302 H ALA 46 H ALA 46 1.158 -16.852 11.734 303 HA ALA 46 HA ALA 46 1.201 -18.670 9.534 304 HB1 ALA 46 HB1 ALA 46 -1.163 -18.054 9.219 305 HB2 ALA 46 HB2 ALA 46 -0.968 -16.695 10.334 306 HB3 ALA 46 HB3 ALA 46 -0.808 -18.351 10.922 307 H LEU 47 H LEU 47 0.986 -15.121 9.787 308 HA LEU 47 HA LEU 47 0.834 -14.537 7.023 309 HB2 LEU 47 HB2 LEU 47 0.250 -12.874 8.731 310 HB3 LEU 47 HB3 LEU 47 1.899 -12.868 9.333 311 HG LEU 47 HG LEU 47 2.706 -11.847 7.232 312 HD11 LEU 47 HD11 LEU 47 1.119 -11.039 5.515 313 HD12 LEU 47 HD12 LEU 47 -0.211 -11.851 6.345 314 HD13 LEU 47 HD13 LEU 47 1.107 -12.796 5.646 315 HD21 LEU 47 HD21 LEU 47 1.687 -9.607 7.515 316 HD22 LEU 47 HD22 LEU 47 2.025 -10.354 9.074 317 HD23 LEU 47 HD23 LEU 47 0.369 -10.309 8.460 318 H ARG 48 H ARG 48 3.594 -14.867 9.246 319 HA ARG 48 HA ARG 48 5.650 -14.168 7.436 320 HB2 ARG 48 HB2 ARG 48 5.666 -15.884 9.953 321 HB3 ARG 48 HB3 ARG 48 7.139 -15.512 9.063 322 HG2 ARG 48 HG2 ARG 48 5.303 -13.421 10.285 323 HG3 ARG 48 HG3 ARG 48 6.754 -14.062 11.058 324 HD2 ARG 48 HD2 ARG 48 8.108 -13.220 9.126 325 HD3 ARG 48 HD3 ARG 48 6.643 -12.494 8.457 326 HE ARG 48 HE ARG 48 6.562 -11.000 10.355 327 HH11 ARG 48 HH11 ARG 48 9.589 -12.776 10.080 328 HH12 ARG 48 HH12 ARG 48 10.493 -11.602 10.979 329 HH21 ARG 48 HH21 ARG 48 7.776 -9.476 11.528 330 HH22 ARG 48 HH22 ARG 48 9.463 -9.736 11.800 331 H SER 49 H SER 49 4.153 -17.291 8.229 332 HA SER 49 HA SER 49 5.768 -18.972 6.613 333 HB2 SER 49 HB2 SER 49 2.925 -19.343 7.644 334 HB3 SER 49 HB3 SER 49 3.821 -20.601 6.784 335 HG SER 49 HG SER 49 4.715 -19.327 9.160 336 H LEU 50 H LEU 50 2.847 -17.097 5.969 337 HA LEU 50 HA LEU 50 2.252 -18.160 3.396 338 HB2 LEU 50 HB2 LEU 50 0.861 -16.662 5.145 339 HB3 LEU 50 HB3 LEU 50 1.461 -15.344 4.160 340 HG LEU 50 HG LEU 50 -0.256 -17.667 3.181 341 HD11 LEU 50 HD11 LEU 50 -1.027 -14.784 3.693 342 HD12 LEU 50 HD12 LEU 50 -1.524 -16.203 4.623 343 HD13 LEU 50 HD13 LEU 50 -2.053 -16.019 2.954 344 HD21 LEU 50 HD21 LEU 50 0.665 -15.229 1.615 345 HD22 LEU 50 HD22 LEU 50 -0.509 -16.425 1.059 346 HD23 LEU 50 HD23 LEU 50 1.161 -16.902 1.346 347 H GLN 51 H GLN 51 4.169 -15.420 4.558 348 HA GLN 51 HA GLN 51 4.741 -14.174 2.084 349 HB2 GLN 51 HB2 GLN 51 6.174 -14.116 4.768 350 HB3 GLN 51 HB3 GLN 51 6.703 -13.146 3.393 351 HG2 GLN 51 HG2 GLN 51 4.583 -11.941 3.368 352 HG3 GLN 51 HG3 GLN 51 3.948 -12.965 4.657 353 HE21 GLN 51 HE21 GLN 51 4.663 -12.626 6.784 354 HE22 GLN 51 HE22 GLN 51 5.534 -11.209 7.254 355 H ARG 52 H ARG 52 6.540 -16.617 3.963 356 HA ARG 52 HA ARG 52 8.655 -16.821 2.008 357 HB2 ARG 52 HB2 ARG 52 9.573 -18.606 3.390 358 HB3 ARG 52 HB3 ARG 52 9.138 -17.227 4.393 359 HG2 ARG 52 HG2 ARG 52 7.154 -18.371 5.205 360 HG3 ARG 52 HG3 ARG 52 7.418 -19.716 4.093 361 HD2 ARG 52 HD2 ARG 52 9.277 -18.924 6.366 362 HD3 ARG 52 HD3 ARG 52 8.117 -20.255 6.408 363 HE ARG 52 HE ARG 52 9.643 -20.798 4.209 364 HH11 ARG 52 HH11 ARG 52 10.436 -20.243 7.587 365 HH12 ARG 52 HH12 ARG 52 11.843 -21.252 7.539 366 HH21 ARG 52 HH21 ARG 52 11.468 -22.133 4.182 367 HH22 ARG 52 HH22 ARG 52 12.422 -22.325 5.614 368 H TYR 53 H TYR 53 5.519 -18.183 2.304 369 HA TYR 53 HA TYR 53 6.041 -20.680 0.959 370 HB2 TYR 53 HB2 TYR 53 4.046 -19.970 2.595 371 HB3 TYR 53 HB3 TYR 53 3.268 -19.471 1.103 372 HD1 TYR 53 HD1 TYR 53 5.273 -22.422 2.296 373 HD2 TYR 53 HD2 TYR 53 1.753 -21.085 0.271 374 HE1 TYR 53 HE1 TYR 53 4.542 -24.752 2.036 375 HE2 TYR 53 HE2 TYR 53 1.031 -23.418 0.004 376 HH TYR 53 HH TYR 53 2.030 -25.657 -0.048 377 HA PRO 54 HA PRO 54 5.911 -18.549 -3.074 378 HB2 PRO 54 HB2 PRO 54 7.058 -20.448 -4.577 379 HB3 PRO 54 HB3 PRO 54 7.984 -19.608 -3.323 380 HG2 PRO 54 HG2 PRO 54 6.728 -22.349 -3.233 381 HG3 PRO 54 HG3 PRO 54 8.323 -21.829 -2.650 382 HD2 PRO 54 HD2 PRO 54 6.050 -22.101 -1.035 383 HD3 PRO 54 HD3 PRO 54 7.477 -21.120 -0.625 384 H LEU 55 H LEU 55 3.538 -20.255 -2.009 385 HA LEU 55 HA LEU 55 2.312 -20.857 -4.635 386 HB2 LEU 55 HB2 LEU 55 1.641 -21.964 -1.882 387 HB3 LEU 55 HB3 LEU 55 0.573 -22.136 -3.261 388 HG LEU 55 HG LEU 55 2.505 -23.359 -4.442 389 HD11 LEU 55 HD11 LEU 55 4.215 -24.430 -3.063 390 HD12 LEU 55 HD12 LEU 55 3.651 -23.547 -1.644 391 HD13 LEU 55 HD13 LEU 55 4.361 -22.674 -3.002 392 HD21 LEU 55 HD21 LEU 55 1.242 -24.661 -2.011 393 HD22 LEU 55 HD22 LEU 55 1.951 -25.507 -3.390 394 HD23 LEU 55 HD23 LEU 55 0.518 -24.507 -3.616 395 HA PRO 56 HA PRO 56 -0.318 -17.286 -3.737 396 HB2 PRO 56 HB2 PRO 56 -2.040 -17.460 -5.835 397 HB3 PRO 56 HB3 PRO 56 -0.351 -16.982 -6.054 398 HG2 PRO 56 HG2 PRO 56 -1.646 -19.658 -6.546 399 HG3 PRO 56 HG3 PRO 56 -0.426 -18.814 -7.521 400 HD2 PRO 56 HD2 PRO 56 0.152 -20.856 -5.728 401 HD3 PRO 56 HD3 PRO 56 1.323 -19.624 -6.234 402 H LEU 57 H LEU 57 -1.229 -17.955 -1.778 403 HA LEU 57 HA LEU 57 -3.287 -19.987 -1.610 404 HB2 LEU 57 HB2 LEU 57 -2.285 -18.073 0.535 405 HB3 LEU 57 HB3 LEU 57 -3.285 -19.497 0.805 406 HG LEU 57 HG LEU 57 -0.380 -19.455 -0.121 407 HD11 LEU 57 HD11 LEU 57 -1.606 -20.511 2.444 408 HD12 LEU 57 HD12 LEU 57 -0.654 -19.037 2.264 409 HD13 LEU 57 HD13 LEU 57 0.098 -20.602 1.982 410 HD21 LEU 57 HD21 LEU 57 -0.456 -21.931 -0.070 411 HD22 LEU 57 HD22 LEU 57 -1.503 -21.254 -1.310 412 HD23 LEU 57 HD23 LEU 57 -2.205 -21.866 0.190 413 H ARG 58 H ARG 58 -5.234 -19.470 -2.431 414 HA ARG 58 HA ARG 58 -6.594 -16.984 -1.573 415 HB2 ARG 58 HB2 ARG 58 -5.654 -16.841 -3.933 416 HB3 ARG 58 HB3 ARG 58 -6.729 -18.161 -4.385 417 HG2 ARG 58 HG2 ARG 58 -8.687 -16.740 -3.801 418 HG3 ARG 58 HG3 ARG 58 -7.592 -15.416 -3.386 419 HD2 ARG 58 HD2 ARG 58 -8.549 -15.159 -5.649 420 HD3 ARG 58 HD3 ARG 58 -6.790 -15.322 -5.699 421 HE ARG 58 HE ARG 58 -8.227 -17.809 -6.029 422 HH11 ARG 58 HH11 ARG 58 -6.959 -15.039 -7.759 423 HH12 ARG 58 HH12 ARG 58 -6.804 -15.897 -9.253 424 HH21 ARG 58 HH21 ARG 58 -8.031 -18.922 -7.994 425 HH22 ARG 58 HH22 ARG 58 -7.417 -18.098 -9.387 426 H SER 59 H SER 59 -6.635 -20.350 -1.709 427 HA SER 59 HA SER 59 -9.505 -20.375 -0.963 428 HB2 SER 59 HB2 SER 59 -9.171 -21.743 -2.984 429 HB3 SER 59 HB3 SER 59 -7.856 -22.623 -2.208 430 HG SER 59 HG SER 59 -10.587 -22.615 -1.404 431 H GLY 60 H GLY 60 -9.971 -21.200 1.039 432 HA2 GLY 60 HA2 GLY 60 -8.051 -21.267 3.086 433 HA3 GLY 60 HA3 GLY 60 -9.700 -21.871 3.209 434 H LYS 61 H LYS 61 -9.267 -23.825 1.029 435 HA LYS 61 HA LYS 61 -8.274 -26.107 2.365 436 HB2 LYS 61 HB2 LYS 61 -9.852 -26.127 0.396 437 HB3 LYS 61 HB3 LYS 61 -8.520 -25.624 -0.641 438 HG2 LYS 61 HG2 LYS 61 -7.343 -27.802 0.165 439 HG3 LYS 61 HG3 LYS 61 -8.938 -28.291 0.744 440 HD2 LYS 61 HD2 LYS 61 -8.193 -27.587 -2.123 441 HD3 LYS 61 HD3 LYS 61 -8.476 -29.213 -1.499 442 HE2 LYS 61 HE2 LYS 61 -10.838 -28.700 -1.126 443 HE3 LYS 61 HE3 LYS 61 -10.575 -27.011 -1.576 444 HZ1 LYS 61 HZ1 LYS 61 -11.531 -28.348 -3.372 445 HZ2 LYS 61 HZ2 LYS 61 -10.151 -29.318 -3.390 446 HZ3 LYS 61 HZ3 LYS 61 -10.040 -27.680 -3.797 447 H GLU 62 H GLU 62 -6.817 -23.905 -0.031 448 HA GLU 62 HA GLU 62 -4.293 -25.257 -0.233 449 HB2 GLU 62 HB2 GLU 62 -4.903 -22.364 -0.991 450 HB3 GLU 62 HB3 GLU 62 -3.579 -23.361 -1.593 451 HG2 GLU 62 HG2 GLU 62 -6.538 -23.667 -2.179 452 HG3 GLU 62 HG3 GLU 62 -5.279 -23.167 -3.301 453 H ALA 63 H ALA 63 -5.593 -22.797 1.879 454 HA ALA 63 HA ALA 63 -3.036 -22.037 3.050 455 HB1 ALA 63 HB1 ALA 63 -4.405 -20.701 4.596 456 HB2 ALA 63 HB2 ALA 63 -5.877 -21.455 3.969 457 HB3 ALA 63 HB3 ALA 63 -4.893 -20.428 2.923 458 H LYS 64 H LYS 64 -5.375 -24.529 3.505 459 HA LYS 64 HA LYS 64 -5.043 -25.021 6.299 460 HB2 LYS 64 HB2 LYS 64 -7.087 -25.642 4.990 461 HB3 LYS 64 HB3 LYS 64 -6.144 -26.873 4.156 462 HG2 LYS 64 HG2 LYS 64 -5.715 -27.947 6.409 463 HG3 LYS 64 HG3 LYS 64 -6.862 -26.796 7.105 464 HD2 LYS 64 HD2 LYS 64 -8.642 -27.702 5.619 465 HD3 LYS 64 HD3 LYS 64 -7.479 -28.843 4.934 466 HE2 LYS 64 HE2 LYS 64 -8.440 -28.755 7.812 467 HE3 LYS 64 HE3 LYS 64 -8.844 -29.972 6.602 468 HZ1 LYS 64 HZ1 LYS 64 -7.126 -30.730 8.127 469 HZ2 LYS 64 HZ2 LYS 64 -6.125 -29.451 7.668 470 HZ3 LYS 64 HZ3 LYS 64 -6.538 -30.641 6.546 471 H ILE 65 H ILE 65 -3.377 -26.157 3.413 472 HA ILE 65 HA ILE 65 -2.159 -28.493 4.486 473 HB ILE 65 HB ILE 65 -0.536 -28.344 2.604 474 HG12 ILE 65 HG12 ILE 65 -1.835 -25.634 2.089 475 HG13 ILE 65 HG13 ILE 65 -0.142 -25.948 2.443 476 HG21 ILE 65 HG21 ILE 65 -2.163 -28.582 0.771 477 HG22 ILE 65 HG22 ILE 65 -3.406 -27.815 1.761 478 HG23 ILE 65 HG23 ILE 65 -2.740 -29.379 2.237 479 HD11 ILE 65 HD11 ILE 65 -0.417 -25.403 0.120 480 HD12 ILE 65 HD12 ILE 65 -1.620 -26.673 -0.084 481 HD13 ILE 65 HD13 ILE 65 0.060 -27.096 0.258 482 H LEU 66 H LEU 66 -1.501 -25.145 5.022 483 HA LEU 66 HA LEU 66 1.115 -25.666 6.223 484 HB2 LEU 66 HB2 LEU 66 -0.441 -23.052 6.142 485 HB3 LEU 66 HB3 LEU 66 1.222 -23.278 6.663 486 HG LEU 66 HG LEU 66 1.553 -24.177 4.165 487 HD11 LEU 66 HD11 LEU 66 -0.817 -24.091 3.536 488 HD12 LEU 66 HD12 LEU 66 0.158 -23.032 2.520 489 HD13 LEU 66 HD13 LEU 66 -0.839 -22.345 3.805 490 HD21 LEU 66 HD21 LEU 66 1.337 -21.229 4.806 491 HD22 LEU 66 HD22 LEU 66 2.249 -21.944 3.476 492 HD23 LEU 66 HD23 LEU 66 2.722 -22.269 5.142 493 H GLN 67 H GLN 67 0.973 -26.678 8.084 494 HA GLN 67 HA GLN 67 -1.220 -26.429 9.944 495 HB2 GLN 67 HB2 GLN 67 1.453 -27.876 10.173 496 HB3 GLN 67 HB3 GLN 67 0.110 -28.044 11.307 497 HG2 GLN 67 HG2 GLN 67 -1.300 -29.003 9.542 498 HG3 GLN 67 HG3 GLN 67 -0.014 -28.773 8.357 499 HE21 GLN 67 HE21 GLN 67 1.801 -30.159 8.419 500 HE22 GLN 67 HE22 GLN 67 1.770 -31.658 9.279 501 H HIS 68 H HIS 68 1.616 -24.647 9.366 502 HA HIS 68 HA HIS 68 2.232 -23.571 11.926 503 HB2 HIS 68 HB2 HIS 68 2.486 -22.210 9.199 504 HB3 HIS 68 HB3 HIS 68 3.283 -21.695 10.684 505 HD1 HIS 68 HD1 HIS 68 4.954 -22.250 8.255 506 HD2 HIS 68 HD2 HIS 68 4.088 -25.155 11.095 507 HE1 HIS 68 HE1 HIS 68 6.753 -23.991 8.004 508 HE2 HIS 68 HE2 HIS 68 6.303 -25.634 9.859 509 H PHE 69 H PHE 69 -0.316 -22.977 9.631 510 HA PHE 69 HA PHE 69 -1.369 -20.566 10.824 511 HB2 PHE 69 HB2 PHE 69 -2.602 -22.559 8.858 512 HB3 PHE 69 HB3 PHE 69 -3.376 -21.076 9.369 513 HD1 PHE 69 HD1 PHE 69 0.278 -21.200 8.604 514 HD2 PHE 69 HD2 PHE 69 -3.606 -20.209 7.123 515 HE1 PHE 69 HE1 PHE 69 1.287 -19.988 6.723 516 HE2 PHE 69 HE2 PHE 69 -2.574 -19.002 5.250 517 HZ PHE 69 HZ PHE 69 -0.134 -18.891 5.049 518 H GLY 70 H GLY 70 -2.285 -24.004 10.760 519 HA2 GLY 70 HA2 GLY 70 -3.104 -25.297 12.541 520 HA3 GLY 70 HA3 GLY 70 -3.528 -23.834 13.420 521 H ASP 71 H ASP 71 -5.219 -26.100 13.020 522 HA ASP 71 HA ASP 71 -6.942 -26.200 10.882 523 HB2 ASP 71 HB2 ASP 71 -7.554 -26.772 13.819 524 HB3 ASP 71 HB3 ASP 71 -8.624 -27.217 12.489 525 H ARG 72 H ARG 72 -7.284 -24.190 13.782 526 HA ARG 72 HA ARG 72 -9.918 -23.230 13.335 527 HB2 ARG 72 HB2 ARG 72 -7.657 -22.030 15.002 528 HB3 ARG 72 HB3 ARG 72 -9.296 -21.403 15.001 529 HG2 ARG 72 HG2 ARG 72 -9.039 -22.711 16.973 530 HG3 ARG 72 HG3 ARG 72 -10.087 -23.615 15.886 531 HD2 ARG 72 HD2 ARG 72 -8.300 -25.141 15.329 532 HD3 ARG 72 HD3 ARG 72 -7.119 -24.149 16.185 533 HE ARG 72 HE ARG 72 -8.968 -24.803 18.091 534 HH11 ARG 72 HH11 ARG 72 -6.958 -26.735 15.928 535 HH12 ARG 72 HH12 ARG 72 -6.806 -28.037 17.059 536 HH21 ARG 72 HH21 ARG 72 -8.753 -26.531 19.528 537 HH22 ARG 72 HH22 ARG 72 -7.829 -27.925 19.078 538 H LEU 73 H LEU 73 -6.728 -21.783 12.771 539 HA LEU 73 HA LEU 73 -7.629 -19.292 11.771 540 HB2 LEU 73 HB2 LEU 73 -5.411 -19.793 12.821 541 HB3 LEU 73 HB3 LEU 73 -4.942 -20.674 11.382 542 HG LEU 73 HG LEU 73 -5.659 -17.731 11.215 543 HD11 LEU 73 HD11 LEU 73 -3.301 -17.144 11.529 544 HD12 LEU 73 HD12 LEU 73 -2.922 -18.827 11.908 545 HD13 LEU 73 HD13 LEU 73 -3.977 -17.893 12.974 546 HD21 LEU 73 HD21 LEU 73 -3.901 -19.498 9.502 547 HD22 LEU 73 HD22 LEU 73 -4.087 -17.764 9.287 548 HD23 LEU 73 HD23 LEU 73 -5.474 -18.826 9.071 549 H CYS 74 H CYS 74 -6.643 -22.305 10.162 550 HA CYS 74 HA CYS 74 -6.703 -21.461 7.478 551 HB2 CYS 74 HB2 CYS 74 -7.291 -24.209 8.644 552 HB3 CYS 74 HB3 CYS 74 -6.910 -23.881 6.951 553 HG CYS 74 HG CYS 74 -4.312 -23.254 7.301 554 H ARG 75 H ARG 75 -9.255 -22.669 9.620 555 HA ARG 75 HA ARG 75 -11.368 -22.700 7.672 556 HB2 ARG 75 HB2 ARG 75 -11.452 -22.707 10.717 557 HB3 ARG 75 HB3 ARG 75 -12.873 -22.913 9.691 558 HG2 ARG 75 HG2 ARG 75 -11.978 -24.985 8.775 559 HG3 ARG 75 HG3 ARG 75 -10.462 -24.766 9.655 560 HD2 ARG 75 HD2 ARG 75 -11.681 -24.979 11.797 561 HD3 ARG 75 HD3 ARG 75 -13.202 -25.186 10.918 562 HE ARG 75 HE ARG 75 -11.018 -27.126 11.185 563 HH11 ARG 75 HH11 ARG 75 -14.128 -26.394 9.722 564 HH12 ARG 75 HH12 ARG 75 -14.456 -28.045 9.315 565 HH21 ARG 75 HH21 ARG 75 -11.476 -29.277 10.673 566 HH22 ARG 75 HH22 ARG 75 -12.961 -29.682 9.878 567 H MET 76 H MET 76 -10.173 -20.313 10.012 568 HA MET 76 HA MET 76 -12.217 -18.366 9.738 569 HB2 MET 76 HB2 MET 76 -9.282 -18.090 10.510 570 HB3 MET 76 HB3 MET 76 -10.424 -16.761 10.596 571 HG2 MET 76 HG2 MET 76 -11.755 -18.020 12.247 572 HG3 MET 76 HG3 MET 76 -10.601 -19.343 12.162 573 HE1 MET 76 HE1 MET 76 -9.543 -15.159 13.876 574 HE2 MET 76 HE2 MET 76 -11.141 -15.576 13.267 575 HE3 MET 76 HE3 MET 76 -9.782 -15.440 12.148 576 H LEU 77 H LEU 77 -9.140 -18.826 8.026 577 HA LEU 77 HA LEU 77 -9.300 -16.725 6.161 578 HB2 LEU 77 HB2 LEU 77 -7.828 -19.331 6.371 579 HB3 LEU 77 HB3 LEU 77 -7.926 -18.650 4.759 580 HG LEU 77 HG LEU 77 -6.707 -16.682 5.391 581 HD11 LEU 77 HD11 LEU 77 -7.663 -16.198 7.554 582 HD12 LEU 77 HD12 LEU 77 -5.905 -16.225 7.666 583 HD13 LEU 77 HD13 LEU 77 -6.849 -17.592 8.266 584 HD21 LEU 77 HD21 LEU 77 -5.355 -19.091 6.645 585 HD22 LEU 77 HD22 LEU 77 -4.556 -17.607 6.115 586 HD23 LEU 77 HD23 LEU 77 -5.334 -18.655 4.933 587 H ASP 78 H ASP 78 -10.509 -20.046 6.024 588 HA ASP 78 HA ASP 78 -11.604 -19.999 3.409 589 HB2 ASP 78 HB2 ASP 78 -11.063 -22.085 4.622 590 HB3 ASP 78 HB3 ASP 78 -12.317 -21.741 5.807 591 H GLU 79 H GLU 79 -12.856 -19.023 6.543 592 HA GLU 79 HA GLU 79 -15.604 -18.724 5.798 593 HB2 GLU 79 HB2 GLU 79 -13.979 -17.763 8.169 594 HB3 GLU 79 HB3 GLU 79 -15.653 -17.257 7.944 595 HG2 GLU 79 HG2 GLU 79 -14.715 -20.131 8.190 596 HG3 GLU 79 HG3 GLU 79 -15.440 -19.170 9.469 597 H LYS 80 H LYS 80 -12.888 -16.415 6.205 598 HA LYS 80 HA LYS 80 -14.220 -14.058 5.465 599 HB2 LYS 80 HB2 LYS 80 -11.305 -14.883 5.237 600 HB3 LYS 80 HB3 LYS 80 -11.851 -13.279 4.748 601 HG2 LYS 80 HG2 LYS 80 -12.204 -14.456 7.513 602 HG3 LYS 80 HG3 LYS 80 -10.902 -13.365 7.042 603 HD2 LYS 80 HD2 LYS 80 -13.879 -12.686 7.000 604 HD3 LYS 80 HD3 LYS 80 -12.734 -12.190 8.248 605 HE2 LYS 80 HE2 LYS 80 -11.458 -10.916 6.552 606 HE3 LYS 80 HE3 LYS 80 -12.636 -11.385 5.320 607 HZ1 LYS 80 HZ1 LYS 80 -13.007 -9.166 6.234 608 HZ2 LYS 80 HZ2 LYS 80 -13.260 -9.833 7.765 609 HZ3 LYS 80 HZ3 LYS 80 -14.326 -10.187 6.501 610 H LEU 81 H LEU 81 -12.300 -16.295 3.491 611 HA LEU 81 HA LEU 81 -12.532 -15.084 0.995 612 HB2 LEU 81 HB2 LEU 81 -10.987 -16.966 1.671 613 HB3 LEU 81 HB3 LEU 81 -12.339 -18.070 1.578 614 HG LEU 81 HG LEU 81 -10.671 -18.060 -0.373 615 HD11 LEU 81 HD11 LEU 81 -12.809 -19.202 -0.552 616 HD12 LEU 81 HD12 LEU 81 -12.334 -18.486 -2.089 617 HD13 LEU 81 HD13 LEU 81 -13.584 -17.716 -1.106 618 HD21 LEU 81 HD21 LEU 81 -10.929 -16.375 -2.125 619 HD22 LEU 81 HD22 LEU 81 -10.418 -15.631 -0.613 620 HD23 LEU 81 HD23 LEU 81 -12.098 -15.491 -1.138 621 H LYS 82 H LYS 82 -14.605 -17.456 2.580 622 HA LYS 82 HA LYS 82 -16.505 -17.906 0.563 623 HB2 LYS 82 HB2 LYS 82 -16.237 -19.300 2.602 624 HB3 LYS 82 HB3 LYS 82 -16.857 -17.981 3.587 625 HG2 LYS 82 HG2 LYS 82 -19.046 -18.168 2.419 626 HG3 LYS 82 HG3 LYS 82 -18.416 -19.522 1.478 627 HD2 LYS 82 HD2 LYS 82 -18.691 -19.485 4.520 628 HD3 LYS 82 HD3 LYS 82 -19.842 -20.227 3.411 629 HE2 LYS 82 HE2 LYS 82 -18.500 -22.010 4.247 630 HE3 LYS 82 HE3 LYS 82 -17.926 -21.717 2.609 631 HZ1 LYS 82 HZ1 LYS 82 -16.623 -20.669 5.061 632 HZ2 LYS 82 HZ2 LYS 82 -16.028 -20.565 3.479 633 HZ3 LYS 82 HZ3 LYS 82 -16.144 -22.066 4.242 634 H GLN 83 H GLN 83 -16.457 -15.489 3.232 635 HA GLN 83 HA GLN 83 -19.180 -14.628 2.758 636 HB2 GLN 83 HB2 GLN 83 -16.995 -13.470 4.538 637 HB3 GLN 83 HB3 GLN 83 -18.676 -12.936 4.540 638 HG2 GLN 83 HG2 GLN 83 -17.837 -15.777 5.164 639 HG3 GLN 83 HG3 GLN 83 -17.992 -14.526 6.384 640 HE21 GLN 83 HE21 GLN 83 -19.594 -15.689 7.478 641 HE22 GLN 83 HE22 GLN 83 -21.205 -15.843 6.875 642 H HIS 84 H HIS 84 -15.968 -13.487 1.966 643 HA HIS 84 HA HIS 84 -16.597 -10.900 1.033 644 HB2 HIS 84 HB2 HIS 84 -14.261 -11.584 1.586 645 HB3 HIS 84 HB3 HIS 84 -14.259 -12.700 0.222 646 HD1 HIS 84 HD1 HIS 84 -13.963 -9.082 1.084 647 HD2 HIS 84 HD2 HIS 84 -13.997 -11.440 -2.335 648 HE1 HIS 84 HE1 HIS 84 -13.224 -7.576 -0.775 649 HE2 HIS 84 HE2 HIS 84 -13.449 -8.959 -2.850 650 H LEU 85 H LEU 85 -16.086 -14.001 -0.705 651 HA LEU 85 HA LEU 85 -16.801 -12.966 -3.285 652 HB2 LEU 85 HB2 LEU 85 -16.633 -15.857 -2.344 653 HB3 LEU 85 HB3 LEU 85 -16.781 -15.348 -4.020 654 HG LEU 85 HG LEU 85 -14.389 -14.965 -2.178 655 HD11 LEU 85 HD11 LEU 85 -14.577 -17.188 -3.153 656 HD12 LEU 85 HD12 LEU 85 -13.191 -16.330 -3.820 657 HD13 LEU 85 HD13 LEU 85 -14.666 -16.501 -4.779 658 HD21 LEU 85 HD21 LEU 85 -13.229 -13.831 -4.039 659 HD22 LEU 85 HD22 LEU 85 -14.610 -12.906 -3.459 660 HD23 LEU 85 HD23 LEU 85 -14.732 -13.814 -4.968 661 H ALA 86 H ALA 86 -18.643 -14.316 -0.633 662 HA ALA 86 HA ALA 86 -21.071 -14.891 -2.052 663 HB1 ALA 86 HB1 ALA 86 -20.615 -15.858 0.177 664 HB2 ALA 86 HB2 ALA 86 -22.129 -14.949 0.186 665 HB3 ALA 86 HB3 ALA 86 -20.671 -14.248 0.898 666 H SER 87 H SER 87 -19.774 -12.060 -0.344 667 HA SER 87 HA SER 87 -22.078 -10.383 -0.785 668 HB2 SER 87 HB2 SER 87 -20.578 -10.098 1.181 669 HB3 SER 87 HB3 SER 87 -19.257 -9.636 0.112 670 HG SER 87 HG SER 87 -21.738 -8.272 0.363 671 H GLY 88 H GLY 88 -19.165 -11.158 -2.542 672 HA2 GLY 88 HA2 GLY 88 -19.927 -10.295 -5.014 673 HA3 GLY 88 HA3 GLY 88 -19.151 -8.879 -4.310 674 H GLY 89 H GLY 89 -18.493 -11.168 -6.428 675 HA2 GLY 89 HA2 GLY 89 -16.105 -12.448 -5.674 676 HA3 GLY 89 HA3 GLY 89 -16.593 -12.100 -7.325 677 H ASP 90 H ASP 90 -13.895 -11.985 -6.148 678 HA ASP 90 HA ASP 90 -13.294 -9.080 -6.226 679 HB2 ASP 90 HB2 ASP 90 -12.929 -10.287 -4.020 680 HB3 ASP 90 HB3 ASP 90 -11.694 -11.255 -4.816 Start of MODEL 15 1 H ARG 11 H ARG 11 12.214 -3.467 -0.077 2 HA ARG 11 HA ARG 11 11.641 -5.660 0.746 3 HB2 ARG 11 HB2 ARG 11 9.669 -3.413 1.334 4 HB3 ARG 11 HB3 ARG 11 9.772 -4.885 2.298 5 HG2 ARG 11 HG2 ARG 11 12.035 -2.880 1.917 6 HG3 ARG 11 HG3 ARG 11 10.999 -3.003 3.344 7 HD2 ARG 11 HD2 ARG 11 11.849 -5.251 3.814 8 HD3 ARG 11 HD3 ARG 11 12.796 -5.237 2.324 9 HE ARG 11 HE ARG 11 13.638 -3.053 3.804 10 HH11 ARG 11 HH11 ARG 11 13.659 -6.553 4.186 11 HH12 ARG 11 HH12 ARG 11 15.098 -6.555 5.158 12 HH21 ARG 11 HH21 ARG 11 15.526 -3.078 5.056 13 HH22 ARG 11 HH22 ARG 11 16.151 -4.581 5.653 14 HA PRO 12 HA PRO 12 8.587 -7.934 -1.582 15 HB2 PRO 12 HB2 PRO 12 8.182 -9.777 0.711 16 HB3 PRO 12 HB3 PRO 12 8.917 -10.100 -0.864 17 HG2 PRO 12 HG2 PRO 12 10.404 -10.003 1.398 18 HG3 PRO 12 HG3 PRO 12 11.036 -9.451 -0.167 19 HD2 PRO 12 HD2 PRO 12 9.922 -7.789 2.107 20 HD3 PRO 12 HD3 PRO 12 11.395 -7.536 1.138 21 H LEU 13 H LEU 13 6.741 -6.817 -1.860 22 HA LEU 13 HA LEU 13 4.563 -7.079 0.088 23 HB2 LEU 13 HB2 LEU 13 5.682 -4.851 0.485 24 HB3 LEU 13 HB3 LEU 13 5.369 -4.421 -1.186 25 HG LEU 13 HG LEU 13 2.899 -4.532 -0.719 26 HD11 LEU 13 HD11 LEU 13 3.730 -4.928 2.170 27 HD12 LEU 13 HD12 LEU 13 2.892 -6.099 1.148 28 HD13 LEU 13 HD13 LEU 13 2.092 -4.598 1.598 29 HD21 LEU 13 HD21 LEU 13 4.070 -2.377 -0.658 30 HD22 LEU 13 HD22 LEU 13 4.439 -2.604 1.054 31 HD23 LEU 13 HD23 LEU 13 2.764 -2.418 0.526 32 HA PRO 14 HA PRO 14 3.129 -7.808 -4.289 33 HB2 PRO 14 HB2 PRO 14 2.487 -10.424 -4.170 34 HB3 PRO 14 HB3 PRO 14 4.169 -9.907 -4.379 35 HG2 PRO 14 HG2 PRO 14 2.767 -10.851 -1.885 36 HG3 PRO 14 HG3 PRO 14 4.401 -11.238 -2.462 37 HD2 PRO 14 HD2 PRO 14 3.821 -9.301 -0.534 38 HD3 PRO 14 HD3 PRO 14 5.305 -9.340 -1.504 39 H VAL 15 H VAL 15 1.067 -7.292 -4.760 40 HA VAL 15 HA VAL 15 -1.003 -7.307 -2.738 41 HB VAL 15 HB VAL 15 -2.417 -6.154 -4.374 42 HG11 VAL 15 HG11 VAL 15 -1.057 -4.118 -4.732 43 HG12 VAL 15 HG12 VAL 15 0.412 -5.028 -4.372 44 HG13 VAL 15 HG13 VAL 15 -0.804 -4.786 -3.115 45 HG21 VAL 15 HG21 VAL 15 -1.623 -5.629 -6.678 46 HG22 VAL 15 HG22 VAL 15 -1.807 -7.367 -6.430 47 HG23 VAL 15 HG23 VAL 15 -0.198 -6.642 -6.410 48 H CYS 16 H CYS 16 0.080 -9.575 -5.001 49 HA CYS 16 HA CYS 16 -0.546 -11.694 -5.482 50 HB2 CYS 16 HB2 CYS 16 -2.744 -11.257 -3.412 51 HB3 CYS 16 HB3 CYS 16 -2.221 -12.818 -4.043 52 HG CYS 16 HG CYS 16 -0.035 -10.766 -2.430 53 HA PRO 17 HA PRO 17 -4.064 -11.735 -8.536 54 HB2 PRO 17 HB2 PRO 17 -5.405 -14.114 -7.815 55 HB3 PRO 17 HB3 PRO 17 -4.053 -14.008 -8.946 56 HG2 PRO 17 HG2 PRO 17 -4.021 -14.690 -6.007 57 HG3 PRO 17 HG3 PRO 17 -3.138 -15.457 -7.344 58 HD2 PRO 17 HD2 PRO 17 -1.874 -13.763 -5.735 59 HD3 PRO 17 HD3 PRO 17 -1.574 -13.684 -7.490 60 H ASN 18 H ASN 18 -4.685 -12.406 -5.134 61 HA ASN 18 HA ASN 18 -6.681 -10.319 -4.958 62 HB2 ASN 18 HB2 ASN 18 -7.916 -12.556 -5.555 63 HB3 ASN 18 HB3 ASN 18 -7.520 -13.071 -3.920 64 HD21 ASN 18 HD21 ASN 18 -10.130 -12.794 -4.917 65 HD22 ASN 18 HD22 ASN 18 -10.926 -11.539 -4.034 66 HA PRO 19 HA PRO 19 -3.833 -10.238 -1.455 67 HB2 PRO 19 HB2 PRO 19 -4.454 -7.808 -0.404 68 HB3 PRO 19 HB3 PRO 19 -3.651 -7.978 -1.975 69 HG2 PRO 19 HG2 PRO 19 -6.593 -7.554 -1.396 70 HG3 PRO 19 HG3 PRO 19 -5.552 -6.683 -2.546 71 HD2 PRO 19 HD2 PRO 19 -7.191 -8.719 -3.316 72 HD3 PRO 19 HD3 PRO 19 -5.635 -8.412 -4.114 73 H LEU 20 H LEU 20 -6.960 -11.117 -1.069 74 HA LEU 20 HA LEU 20 -7.849 -10.205 1.380 75 HB2 LEU 20 HB2 LEU 20 -8.425 -12.851 0.025 76 HB3 LEU 20 HB3 LEU 20 -9.295 -12.276 1.439 77 HG LEU 20 HG LEU 20 -9.264 -10.938 -1.285 78 HD11 LEU 20 HD11 LEU 20 -11.646 -11.526 -1.371 79 HD12 LEU 20 HD12 LEU 20 -11.497 -12.376 0.170 80 HD13 LEU 20 HD13 LEU 20 -10.624 -12.959 -1.252 81 HD21 LEU 20 HD21 LEU 20 -10.922 -9.361 -0.348 82 HD22 LEU 20 HD22 LEU 20 -9.352 -9.226 0.440 83 HD23 LEU 20 HD23 LEU 20 -10.676 -10.068 1.252 84 H PHE 21 H PHE 21 -5.972 -13.222 0.848 85 HA PHE 21 HA PHE 21 -6.058 -14.081 3.553 86 HB2 PHE 21 HB2 PHE 21 -4.430 -14.881 1.138 87 HB3 PHE 21 HB3 PHE 21 -3.949 -15.492 2.720 88 HD1 PHE 21 HD1 PHE 21 -7.494 -14.922 1.639 89 HD2 PHE 21 HD2 PHE 21 -4.424 -17.822 2.360 90 HE1 PHE 21 HE1 PHE 21 -9.156 -16.722 1.531 91 HE2 PHE 21 HE2 PHE 21 -6.103 -19.613 2.243 92 HZ PHE 21 HZ PHE 21 -8.469 -19.067 1.833 93 H VAL 22 H VAL 22 -3.588 -12.206 1.781 94 HA VAL 22 HA VAL 22 -1.749 -12.223 3.987 95 HB VAL 22 HB VAL 22 -0.354 -10.660 2.678 96 HG11 VAL 22 HG11 VAL 22 0.139 -12.152 0.770 97 HG12 VAL 22 HG12 VAL 22 -1.402 -12.980 1.008 98 HG13 VAL 22 HG13 VAL 22 -0.149 -13.074 2.250 99 HG21 VAL 22 HG21 VAL 22 -2.584 -10.660 0.601 100 HG22 VAL 22 HG22 VAL 22 -0.984 -9.942 0.393 101 HG23 VAL 22 HG23 VAL 22 -2.097 -9.286 1.594 102 H ARG 23 H ARG 23 -4.222 -9.931 2.830 103 HA ARG 23 HA ARG 23 -3.405 -7.760 4.500 104 HB2 ARG 23 HB2 ARG 23 -5.479 -6.630 3.917 105 HB3 ARG 23 HB3 ARG 23 -4.790 -7.358 2.470 106 HG2 ARG 23 HG2 ARG 23 -6.433 -9.116 2.473 107 HG3 ARG 23 HG3 ARG 23 -7.032 -8.647 4.063 108 HD2 ARG 23 HD2 ARG 23 -7.205 -6.883 1.596 109 HD3 ARG 23 HD3 ARG 23 -8.493 -7.965 2.137 110 HE ARG 23 HE ARG 23 -8.027 -6.493 4.349 111 HH11 ARG 23 HH11 ARG 23 -8.648 -5.525 1.032 112 HH12 ARG 23 HH12 ARG 23 -9.439 -4.050 1.481 113 HH21 ARG 23 HH21 ARG 23 -9.039 -4.574 4.928 114 HH22 ARG 23 HH22 ARG 23 -9.677 -3.522 3.710 115 H TRP 24 H TRP 24 -5.800 -10.381 4.825 116 HA TRP 24 HA TRP 24 -7.038 -9.394 7.174 117 HB2 TRP 24 HB2 TRP 24 -7.034 -12.147 5.888 118 HB3 TRP 24 HB3 TRP 24 -7.857 -11.852 7.413 119 HD1 TRP 24 HD1 TRP 24 -8.912 -8.847 6.401 120 HE1 TRP 24 HE1 TRP 24 -10.966 -8.808 4.874 121 HE3 TRP 24 HE3 TRP 24 -8.817 -13.690 4.742 122 HZ2 TRP 24 HZ2 TRP 24 -12.375 -10.555 3.190 123 HZ3 TRP 24 HZ3 TRP 24 -10.560 -14.428 3.174 124 HH2 TRP 24 HH2 TRP 24 -12.309 -12.893 2.417 125 H LEU 25 H LEU 25 -4.379 -11.712 6.676 126 HA LEU 25 HA LEU 25 -4.093 -12.369 9.427 127 HB2 LEU 25 HB2 LEU 25 -2.200 -12.624 7.079 128 HB3 LEU 25 HB3 LEU 25 -1.772 -13.179 8.695 129 HG LEU 25 HG LEU 25 -4.108 -14.212 7.027 130 HD11 LEU 25 HD11 LEU 25 -1.494 -15.573 7.758 131 HD12 LEU 25 HD12 LEU 25 -1.971 -15.009 6.153 132 HD13 LEU 25 HD13 LEU 25 -2.856 -16.330 6.919 133 HD21 LEU 25 HD21 LEU 25 -4.452 -15.837 8.819 134 HD22 LEU 25 HD22 LEU 25 -4.622 -14.199 9.437 135 HD23 LEU 25 HD23 LEU 25 -3.148 -15.118 9.763 136 H THR 26 H THR 26 -2.680 -9.745 7.460 137 HA THR 26 HA THR 26 -0.867 -8.873 9.515 138 HB THR 26 HB THR 26 -1.879 -7.074 7.281 139 HG1 THR 26 HG1 THR 26 -0.959 -8.357 5.907 140 HG21 THR 26 HG21 THR 26 -0.436 -6.006 8.990 141 HG22 THR 26 HG22 THR 26 0.389 -6.100 7.433 142 HG23 THR 26 HG23 THR 26 0.797 -7.240 8.716 143 H GLU 27 H GLU 27 -4.153 -7.851 8.509 144 HA GLU 27 HA GLU 27 -4.198 -5.512 10.176 145 HB2 GLU 27 HB2 GLU 27 -6.511 -5.185 9.464 146 HB3 GLU 27 HB3 GLU 27 -5.532 -5.622 8.066 147 HG2 GLU 27 HG2 GLU 27 -6.394 -7.941 8.203 148 HG3 GLU 27 HG3 GLU 27 -7.385 -7.493 9.587 149 H TRP 28 H TRP 28 -5.507 -8.801 10.457 150 HA TRP 28 HA TRP 28 -6.914 -8.339 12.905 151 HB2 TRP 28 HB2 TRP 28 -6.007 -10.959 11.646 152 HB3 TRP 28 HB3 TRP 28 -7.056 -10.835 13.050 153 HD1 TRP 28 HD1 TRP 28 -8.738 -8.311 11.419 154 HE1 TRP 28 HE1 TRP 28 -10.533 -9.121 9.771 155 HE3 TRP 28 HE3 TRP 28 -7.158 -13.129 10.815 156 HZ2 TRP 28 HZ2 TRP 28 -11.214 -11.505 8.402 157 HZ3 TRP 28 HZ3 TRP 28 -8.430 -14.617 9.332 158 HH2 TRP 28 HH2 TRP 28 -10.410 -13.824 8.151 159 H ARG 29 H ARG 29 -3.640 -9.491 12.052 160 HA ARG 29 HA ARG 29 -2.660 -10.107 14.624 161 HB2 ARG 29 HB2 ARG 29 -1.367 -10.555 12.567 162 HB3 ARG 29 HB3 ARG 29 -1.222 -8.828 12.254 163 HG2 ARG 29 HG2 ARG 29 0.037 -8.711 14.514 164 HG3 ARG 29 HG3 ARG 29 0.127 -10.474 14.409 165 HD2 ARG 29 HD2 ARG 29 1.208 -8.504 12.361 166 HD3 ARG 29 HD3 ARG 29 2.168 -9.385 13.553 167 HE ARG 29 HE ARG 29 0.809 -11.305 12.112 168 HH11 ARG 29 HH11 ARG 29 3.032 -8.737 11.227 169 HH12 ARG 29 HH12 ARG 29 3.845 -9.689 10.028 170 HH21 ARG 29 HH21 ARG 29 1.898 -12.549 10.557 171 HH22 ARG 29 HH22 ARG 29 3.201 -11.851 9.653 172 H ASP 30 H ASP 30 -2.672 -7.036 12.849 173 HA ASP 30 HA ASP 30 -1.297 -5.434 14.722 174 HB2 ASP 30 HB2 ASP 30 -1.543 -4.865 12.320 175 HB3 ASP 30 HB3 ASP 30 -3.280 -4.687 12.527 176 H GLU 31 H GLU 31 -4.763 -5.926 14.116 177 HA GLU 31 HA GLU 31 -5.763 -4.194 16.125 178 HB2 GLU 31 HB2 GLU 31 -7.014 -6.496 14.587 179 HB3 GLU 31 HB3 GLU 31 -7.916 -5.616 15.826 180 HG2 GLU 31 HG2 GLU 31 -7.629 -3.520 14.591 181 HG3 GLU 31 HG3 GLU 31 -6.656 -4.353 13.374 182 H ALA 32 H ALA 32 -5.008 -7.667 16.099 183 HA ALA 32 HA ALA 32 -6.006 -8.298 18.683 184 HB1 ALA 32 HB1 ALA 32 -4.685 -10.378 18.482 185 HB2 ALA 32 HB2 ALA 32 -3.858 -9.705 17.070 186 HB3 ALA 32 HB3 ALA 32 -5.589 -10.033 17.003 187 H ALA 33 H ALA 33 -2.983 -6.969 17.542 188 HA ALA 33 HA ALA 33 -1.404 -7.228 19.889 189 HB1 ALA 33 HB1 ALA 33 0.025 -5.496 18.852 190 HB2 ALA 33 HB2 ALA 33 -1.239 -5.167 17.657 191 HB3 ALA 33 HB3 ALA 33 -0.433 -6.735 17.682 192 H SER 34 H SER 34 -3.676 -4.773 18.711 193 HA SER 34 HA SER 34 -3.209 -2.955 20.949 194 HB2 SER 34 HB2 SER 34 -3.607 -2.103 18.662 195 HB3 SER 34 HB3 SER 34 -5.219 -2.821 18.650 196 HG SER 34 HG SER 34 -5.903 -1.346 20.086 197 H ARG 35 H ARG 35 -5.535 -5.472 20.156 198 HA ARG 35 HA ARG 35 -7.542 -4.466 22.088 199 HB2 ARG 35 HB2 ARG 35 -7.804 -6.486 19.814 200 HB3 ARG 35 HB3 ARG 35 -9.118 -6.028 20.900 201 HG2 ARG 35 HG2 ARG 35 -9.130 -3.762 20.064 202 HG3 ARG 35 HG3 ARG 35 -7.633 -4.022 19.169 203 HD2 ARG 35 HD2 ARG 35 -9.401 -4.027 17.575 204 HD3 ARG 35 HD3 ARG 35 -8.881 -5.703 17.740 205 HE ARG 35 HE ARG 35 -10.921 -5.661 19.440 206 HH11 ARG 35 HH11 ARG 35 -10.756 -4.426 16.152 207 HH12 ARG 35 HH12 ARG 35 -12.461 -4.584 15.881 208 HH21 ARG 35 HH21 ARG 35 -13.149 -5.868 19.064 209 HH22 ARG 35 HH22 ARG 35 -13.817 -5.411 17.530 210 H GLY 36 H GLY 36 -4.970 -6.409 22.260 211 HA2 GLY 36 HA2 GLY 36 -4.258 -7.793 23.937 212 HA3 GLY 36 HA3 GLY 36 -5.798 -7.549 24.736 213 H ARG 37 H ARG 37 -5.539 -8.868 21.503 214 HA ARG 37 HA ARG 37 -6.796 -11.373 22.397 215 HB2 ARG 37 HB2 ARG 37 -6.326 -10.379 19.553 216 HB3 ARG 37 HB3 ARG 37 -7.330 -11.739 20.034 217 HG2 ARG 37 HG2 ARG 37 -7.863 -8.810 20.659 218 HG3 ARG 37 HG3 ARG 37 -8.677 -9.772 19.418 219 HD2 ARG 37 HD2 ARG 37 -9.560 -11.269 21.191 220 HD3 ARG 37 HD3 ARG 37 -8.787 -10.260 22.421 221 HE ARG 37 HE ARG 37 -10.360 -8.533 20.967 222 HH11 ARG 37 HH11 ARG 37 -11.025 -11.469 22.793 223 HH12 ARG 37 HH12 ARG 37 -12.623 -10.961 23.227 224 HH21 ARG 37 HH21 ARG 37 -12.441 -7.911 21.516 225 HH22 ARG 37 HH22 ARG 37 -13.431 -8.940 22.497 226 H HIS 38 H HIS 38 -5.750 -13.278 22.368 227 HA HIS 38 HA HIS 38 -2.873 -13.334 22.089 228 HB2 HIS 38 HB2 HIS 38 -4.803 -15.577 22.810 229 HB3 HIS 38 HB3 HIS 38 -3.050 -15.644 22.967 230 HD1 HIS 38 HD1 HIS 38 -2.131 -14.957 25.166 231 HD2 HIS 38 HD2 HIS 38 -5.988 -13.522 24.609 232 HE1 HIS 38 HE1 HIS 38 -2.760 -13.877 27.336 233 HE2 HIS 38 HE2 HIS 38 -5.015 -12.839 26.909 234 H THR 39 H THR 39 -5.491 -13.906 20.021 235 HA THR 39 HA THR 39 -4.407 -15.844 18.252 236 HB THR 39 HB THR 39 -6.036 -14.764 16.574 237 HG1 THR 39 HG1 THR 39 -7.402 -13.478 18.589 238 HG21 THR 39 HG21 THR 39 -7.189 -15.713 19.220 239 HG22 THR 39 HG22 THR 39 -6.694 -16.747 17.877 240 HG23 THR 39 HG23 THR 39 -8.051 -15.636 17.681 241 H ARG 40 H ARG 40 -3.414 -12.616 18.858 242 HA ARG 40 HA ARG 40 -2.549 -11.609 16.431 243 HB2 ARG 40 HB2 ARG 40 -2.266 -10.526 18.747 244 HB3 ARG 40 HB3 ARG 40 -0.832 -11.532 18.951 245 HG2 ARG 40 HG2 ARG 40 -0.188 -10.415 16.577 246 HG3 ARG 40 HG3 ARG 40 -1.281 -9.167 17.163 247 HD2 ARG 40 HD2 ARG 40 0.865 -8.464 17.824 248 HD3 ARG 40 HD3 ARG 40 0.149 -9.140 19.292 249 HE ARG 40 HE ARG 40 1.869 -10.836 17.601 250 HH11 ARG 40 HH11 ARG 40 1.376 -9.263 20.706 251 HH12 ARG 40 HH12 ARG 40 2.809 -9.945 21.400 252 HH21 ARG 40 HH21 ARG 40 3.718 -11.706 18.501 253 HH22 ARG 40 HH22 ARG 40 4.138 -11.336 20.144 254 H PHE 41 H PHE 41 -1.085 -14.014 18.482 255 HA PHE 41 HA PHE 41 1.428 -14.261 17.195 256 HB2 PHE 41 HB2 PHE 41 0.013 -16.166 19.111 257 HB3 PHE 41 HB3 PHE 41 1.709 -16.263 18.656 258 HD1 PHE 41 HD1 PHE 41 -0.774 -14.010 20.343 259 HD2 PHE 41 HD2 PHE 41 3.348 -15.068 19.907 260 HE1 PHE 41 HE1 PHE 41 -0.196 -12.536 22.221 261 HE2 PHE 41 HE2 PHE 41 3.916 -13.588 21.788 262 HZ PHE 41 HZ PHE 41 2.150 -12.324 22.945 263 H VAL 42 H VAL 42 -1.675 -16.032 16.873 264 HA VAL 42 HA VAL 42 -0.546 -18.048 15.141 265 HB VAL 42 HB VAL 42 -2.569 -18.482 16.618 266 HG11 VAL 42 HG11 VAL 42 -3.920 -16.500 16.172 267 HG12 VAL 42 HG12 VAL 42 -4.829 -17.961 15.787 268 HG13 VAL 42 HG13 VAL 42 -4.123 -16.992 14.494 269 HG21 VAL 42 HG21 VAL 42 -2.866 -19.190 13.681 270 HG22 VAL 42 HG22 VAL 42 -3.636 -20.038 15.027 271 HG23 VAL 42 HG23 VAL 42 -1.879 -20.059 14.860 272 H PHE 43 H PHE 43 -2.318 -15.008 14.664 273 HA PHE 43 HA PHE 43 -2.514 -15.137 11.811 274 HB2 PHE 43 HB2 PHE 43 -2.396 -12.676 13.626 275 HB3 PHE 43 HB3 PHE 43 -2.851 -12.652 11.926 276 HD1 PHE 43 HD1 PHE 43 -4.674 -14.993 11.761 277 HD2 PHE 43 HD2 PHE 43 -4.365 -11.967 14.761 278 HE1 PHE 43 HE1 PHE 43 -7.022 -15.358 12.372 279 HE2 PHE 43 HE2 PHE 43 -6.725 -12.337 15.363 280 HZ PHE 43 HZ PHE 43 -8.053 -14.036 14.172 281 H GLN 44 H GLN 44 0.019 -14.279 14.050 282 HA GLN 44 HA GLN 44 1.728 -12.853 12.261 283 HB2 GLN 44 HB2 GLN 44 1.759 -12.558 14.725 284 HB3 GLN 44 HB3 GLN 44 2.353 -14.201 14.916 285 HG2 GLN 44 HG2 GLN 44 4.443 -13.597 13.775 286 HG3 GLN 44 HG3 GLN 44 3.844 -11.958 13.516 287 HE21 GLN 44 HE21 GLN 44 6.219 -12.905 14.974 288 HE22 GLN 44 HE22 GLN 44 6.085 -12.277 16.577 289 H LYS 45 H LYS 45 1.881 -16.141 13.643 290 HA LYS 45 HA LYS 45 4.213 -16.900 12.176 291 HB2 LYS 45 HB2 LYS 45 3.821 -19.153 13.098 292 HB3 LYS 45 HB3 LYS 45 3.714 -17.905 14.336 293 HG2 LYS 45 HG2 LYS 45 1.208 -18.021 14.161 294 HG3 LYS 45 HG3 LYS 45 1.385 -19.377 13.042 295 HD2 LYS 45 HD2 LYS 45 2.397 -19.322 15.919 296 HD3 LYS 45 HD3 LYS 45 0.901 -20.096 15.390 297 HE2 LYS 45 HE2 LYS 45 2.139 -21.712 14.067 298 HE3 LYS 45 HE3 LYS 45 3.658 -20.864 14.358 299 HZ1 LYS 45 HZ1 LYS 45 3.423 -22.819 15.742 300 HZ2 LYS 45 HZ2 LYS 45 2.014 -22.201 16.434 301 HZ3 LYS 45 HZ3 LYS 45 3.490 -21.420 16.687 302 H ALA 46 H ALA 46 0.757 -17.265 11.605 303 HA ALA 46 HA ALA 46 0.878 -19.119 9.453 304 HB1 ALA 46 HB1 ALA 46 -1.227 -17.017 10.037 305 HB2 ALA 46 HB2 ALA 46 -1.194 -18.656 10.691 306 HB3 ALA 46 HB3 ALA 46 -1.415 -18.407 8.957 307 H LEU 47 H LEU 47 0.640 -15.542 9.523 308 HA LEU 47 HA LEU 47 0.698 -15.163 6.725 309 HB2 LEU 47 HB2 LEU 47 -0.034 -13.388 8.270 310 HB3 LEU 47 HB3 LEU 47 1.597 -13.255 8.905 311 HG LEU 47 HG LEU 47 2.413 -12.496 6.670 312 HD11 LEU 47 HD11 LEU 47 -0.509 -12.538 5.831 313 HD12 LEU 47 HD12 LEU 47 0.780 -13.580 5.212 314 HD13 LEU 47 HD13 LEU 47 0.829 -11.846 4.910 315 HD21 LEU 47 HD21 LEU 47 1.813 -10.819 8.339 316 HD22 LEU 47 HD22 LEU 47 0.139 -10.819 7.780 317 HD23 LEU 47 HD23 LEU 47 1.426 -10.247 6.716 318 H ARG 48 H ARG 48 3.297 -15.141 9.154 319 HA ARG 48 HA ARG 48 5.407 -14.373 7.455 320 HB2 ARG 48 HB2 ARG 48 5.540 -14.283 9.928 321 HB3 ARG 48 HB3 ARG 48 5.516 -16.043 10.008 322 HG2 ARG 48 HG2 ARG 48 7.685 -16.130 8.823 323 HG3 ARG 48 HG3 ARG 48 7.698 -14.367 8.717 324 HD2 ARG 48 HD2 ARG 48 7.767 -14.231 11.196 325 HD3 ARG 48 HD3 ARG 48 7.775 -16.000 11.280 326 HE ARG 48 HE ARG 48 9.884 -15.072 9.628 327 HH11 ARG 48 HH11 ARG 48 9.053 -15.371 13.031 328 HH12 ARG 48 HH12 ARG 48 10.705 -15.358 13.556 329 HH21 ARG 48 HH21 ARG 48 12.021 -15.064 10.308 330 HH22 ARG 48 HH22 ARG 48 12.398 -15.180 11.998 331 H SER 49 H SER 49 4.020 -17.532 8.211 332 HA SER 49 HA SER 49 5.832 -19.204 6.818 333 HB2 SER 49 HB2 SER 49 4.100 -19.996 8.451 334 HB3 SER 49 HB3 SER 49 2.852 -19.643 7.261 335 HG SER 49 HG SER 49 4.173 -21.149 5.871 336 H LEU 50 H LEU 50 2.907 -17.459 5.792 337 HA LEU 50 HA LEU 50 2.861 -18.467 3.107 338 HB2 LEU 50 HB2 LEU 50 0.836 -17.671 4.309 339 HB3 LEU 50 HB3 LEU 50 1.487 -16.043 4.343 340 HG LEU 50 HG LEU 50 1.284 -15.878 1.882 341 HD11 LEU 50 HD11 LEU 50 0.151 -17.613 0.565 342 HD12 LEU 50 HD12 LEU 50 0.116 -18.678 1.971 343 HD13 LEU 50 HD13 LEU 50 1.661 -18.212 1.251 344 HD21 LEU 50 HD21 LEU 50 -1.175 -15.836 1.729 345 HD22 LEU 50 HD22 LEU 50 -0.615 -15.151 3.253 346 HD23 LEU 50 HD23 LEU 50 -1.293 -16.783 3.216 347 H GLN 51 H GLN 51 4.389 -15.728 4.698 348 HA GLN 51 HA GLN 51 4.990 -14.140 2.411 349 HB2 GLN 51 HB2 GLN 51 6.292 -14.228 5.171 350 HB3 GLN 51 HB3 GLN 51 6.682 -13.026 3.943 351 HG2 GLN 51 HG2 GLN 51 3.904 -13.384 5.106 352 HG3 GLN 51 HG3 GLN 51 5.103 -12.291 5.780 353 HE21 GLN 51 HE21 GLN 51 3.719 -10.515 5.451 354 HE22 GLN 51 HE22 GLN 51 3.431 -9.847 3.885 355 H ARG 52 H ARG 52 6.724 -16.698 4.135 356 HA ARG 52 HA ARG 52 9.070 -16.543 2.412 357 HB2 ARG 52 HB2 ARG 52 9.908 -18.467 3.730 358 HB3 ARG 52 HB3 ARG 52 9.417 -17.127 4.762 359 HG2 ARG 52 HG2 ARG 52 7.440 -18.259 5.477 360 HG3 ARG 52 HG3 ARG 52 7.585 -19.483 4.216 361 HD2 ARG 52 HD2 ARG 52 9.531 -19.136 6.523 362 HD3 ARG 52 HD3 ARG 52 8.215 -20.314 6.478 363 HE ARG 52 HE ARG 52 9.435 -21.024 4.283 364 HH11 ARG 52 HH11 ARG 52 10.998 -20.134 7.299 365 HH12 ARG 52 HH12 ARG 52 12.379 -21.139 7.004 366 HH21 ARG 52 HH21 ARG 52 11.232 -22.313 3.903 367 HH22 ARG 52 HH22 ARG 52 12.503 -22.389 5.082 368 H TYR 53 H TYR 53 6.047 -18.274 2.474 369 HA TYR 53 HA TYR 53 6.943 -20.527 0.873 370 HB2 TYR 53 HB2 TYR 53 5.086 -20.545 2.681 371 HB3 TYR 53 HB3 TYR 53 4.051 -19.784 1.483 372 HD1 TYR 53 HD1 TYR 53 6.477 -22.676 1.475 373 HD2 TYR 53 HD2 TYR 53 2.517 -21.347 0.570 374 HE1 TYR 53 HE1 TYR 53 5.909 -24.925 0.668 375 HE2 TYR 53 HE2 TYR 53 1.951 -23.601 -0.222 376 HH TYR 53 HH TYR 53 3.067 -25.601 -1.079 377 HA PRO 54 HA PRO 54 6.348 -17.935 -2.821 378 HB2 PRO 54 HB2 PRO 54 7.580 -19.480 -4.638 379 HB3 PRO 54 HB3 PRO 54 8.492 -18.750 -3.307 380 HG2 PRO 54 HG2 PRO 54 7.407 -21.566 -3.534 381 HG3 PRO 54 HG3 PRO 54 9.034 -21.038 -3.051 382 HD2 PRO 54 HD2 PRO 54 7.058 -21.680 -1.237 383 HD3 PRO 54 HD3 PRO 54 8.366 -20.524 -0.884 384 H LEU 55 H LEU 55 4.594 -20.671 -2.099 385 HA LEU 55 HA LEU 55 3.137 -20.835 -4.653 386 HB2 LEU 55 HB2 LEU 55 3.863 -22.881 -3.214 387 HB3 LEU 55 HB3 LEU 55 2.583 -22.423 -2.121 388 HG LEU 55 HG LEU 55 1.981 -24.312 -3.614 389 HD11 LEU 55 HD11 LEU 55 0.165 -22.971 -2.699 390 HD12 LEU 55 HD12 LEU 55 -0.234 -23.607 -4.294 391 HD13 LEU 55 HD13 LEU 55 0.216 -21.908 -4.108 392 HD21 LEU 55 HD21 LEU 55 2.167 -22.321 -5.891 393 HD22 LEU 55 HD22 LEU 55 1.584 -23.987 -5.997 394 HD23 LEU 55 HD23 LEU 55 3.268 -23.669 -5.588 395 HA PRO 56 HA PRO 56 0.199 -17.912 -2.633 396 HB2 PRO 56 HB2 PRO 56 -1.222 -17.240 -4.865 397 HB3 PRO 56 HB3 PRO 56 0.377 -16.557 -4.530 398 HG2 PRO 56 HG2 PRO 56 -0.382 -18.804 -6.385 399 HG3 PRO 56 HG3 PRO 56 0.767 -17.478 -6.651 400 HD2 PRO 56 HD2 PRO 56 1.530 -20.030 -5.908 401 HD3 PRO 56 HD3 PRO 56 2.480 -18.572 -5.528 402 H LEU 57 H LEU 57 -0.861 -19.361 -1.369 403 HA LEU 57 HA LEU 57 -2.134 -21.725 -2.038 404 HB2 LEU 57 HB2 LEU 57 -2.787 -19.879 0.292 405 HB3 LEU 57 HB3 LEU 57 -3.235 -21.579 0.189 406 HG LEU 57 HG LEU 57 -0.367 -20.542 0.282 407 HD11 LEU 57 HD11 LEU 57 -1.461 -20.153 2.416 408 HD12 LEU 57 HD12 LEU 57 -0.277 -21.449 2.559 409 HD13 LEU 57 HD13 LEU 57 -1.999 -21.834 2.482 410 HD21 LEU 57 HD21 LEU 57 -0.546 -22.667 -0.945 411 HD22 LEU 57 HD22 LEU 57 -1.397 -23.401 0.420 412 HD23 LEU 57 HD23 LEU 57 0.283 -22.886 0.595 413 H ARG 58 H ARG 58 -3.646 -18.556 -1.483 414 HA ARG 58 HA ARG 58 -5.437 -17.477 -2.345 415 HB2 ARG 58 HB2 ARG 58 -4.718 -18.300 -4.555 416 HB3 ARG 58 HB3 ARG 58 -5.625 -19.783 -4.308 417 HG2 ARG 58 HG2 ARG 58 -7.740 -18.484 -4.307 418 HG3 ARG 58 HG3 ARG 58 -6.818 -17.003 -4.580 419 HD2 ARG 58 HD2 ARG 58 -7.784 -17.841 -6.672 420 HD3 ARG 58 HD3 ARG 58 -6.022 -17.892 -6.744 421 HE ARG 58 HE ARG 58 -6.786 -20.381 -5.860 422 HH11 ARG 58 HH11 ARG 58 -7.415 -18.525 -8.786 423 HH12 ARG 58 HH12 ARG 58 -7.636 -19.939 -9.766 424 HH21 ARG 58 HH21 ARG 58 -7.078 -22.199 -7.143 425 HH22 ARG 58 HH22 ARG 58 -7.440 -22.023 -8.830 426 H SER 59 H SER 59 -6.378 -20.933 -2.509 427 HA SER 59 HA SER 59 -8.877 -20.429 -1.102 428 HB2 SER 59 HB2 SER 59 -8.770 -21.984 -3.072 429 HB3 SER 59 HB3 SER 59 -7.699 -23.043 -2.149 430 HG SER 59 HG SER 59 -9.396 -23.837 -1.222 431 H GLY 60 H GLY 60 -9.405 -21.441 0.901 432 HA2 GLY 60 HA2 GLY 60 -7.290 -21.278 2.822 433 HA3 GLY 60 HA3 GLY 60 -8.980 -21.649 3.156 434 H LYS 61 H LYS 61 -8.706 -23.988 1.148 435 HA LYS 61 HA LYS 61 -8.213 -26.030 3.046 436 HB2 LYS 61 HB2 LYS 61 -9.714 -26.336 1.123 437 HB3 LYS 61 HB3 LYS 61 -8.363 -26.195 0.006 438 HG2 LYS 61 HG2 LYS 61 -7.487 -28.311 0.611 439 HG3 LYS 61 HG3 LYS 61 -8.449 -28.384 2.090 440 HD2 LYS 61 HD2 LYS 61 -9.347 -29.914 0.372 441 HD3 LYS 61 HD3 LYS 61 -10.513 -28.658 0.780 442 HE2 LYS 61 HE2 LYS 61 -10.517 -29.037 -1.618 443 HE3 LYS 61 HE3 LYS 61 -9.868 -27.434 -1.294 444 HZ1 LYS 61 HZ1 LYS 61 -7.638 -28.343 -1.578 445 HZ2 LYS 61 HZ2 LYS 61 -8.575 -28.568 -2.964 446 HZ3 LYS 61 HZ3 LYS 61 -8.284 -29.865 -1.925 447 H GLU 62 H GLU 62 -6.142 -24.489 0.671 448 HA GLU 62 HA GLU 62 -3.940 -26.353 0.940 449 HB2 GLU 62 HB2 GLU 62 -4.220 -23.661 -0.441 450 HB3 GLU 62 HB3 GLU 62 -2.743 -24.628 -0.492 451 HG2 GLU 62 HG2 GLU 62 -3.827 -26.398 -1.683 452 HG3 GLU 62 HG3 GLU 62 -5.428 -25.700 -1.407 453 H ALA 63 H ALA 63 -5.069 -23.758 2.824 454 HA ALA 63 HA ALA 63 -2.552 -22.898 3.956 455 HB1 ALA 63 HB1 ALA 63 -4.521 -21.430 4.015 456 HB2 ALA 63 HB2 ALA 63 -3.975 -21.781 5.654 457 HB3 ALA 63 HB3 ALA 63 -5.398 -22.601 5.007 458 H LYS 64 H LYS 64 -4.526 -25.664 4.332 459 HA LYS 64 HA LYS 64 -4.094 -26.307 7.063 460 HB2 LYS 64 HB2 LYS 64 -5.996 -27.209 5.851 461 HB3 LYS 64 HB3 LYS 64 -4.942 -27.987 4.684 462 HG2 LYS 64 HG2 LYS 64 -5.926 -29.606 6.255 463 HG3 LYS 64 HG3 LYS 64 -4.163 -29.575 6.362 464 HD2 LYS 64 HD2 LYS 64 -4.373 -28.102 8.397 465 HD3 LYS 64 HD3 LYS 64 -6.128 -28.295 8.309 466 HE2 LYS 64 HE2 LYS 64 -5.944 -30.677 8.726 467 HE3 LYS 64 HE3 LYS 64 -4.185 -30.618 8.588 468 HZ1 LYS 64 HZ1 LYS 64 -5.820 -29.343 10.703 469 HZ2 LYS 64 HZ2 LYS 64 -4.141 -29.212 10.566 470 HZ3 LYS 64 HZ3 LYS 64 -4.851 -30.713 10.872 471 H ILE 65 H ILE 65 -2.244 -27.037 4.092 472 HA ILE 65 HA ILE 65 -0.616 -29.123 5.140 473 HB ILE 65 HB ILE 65 0.943 -28.755 3.264 474 HG12 ILE 65 HG12 ILE 65 -0.663 -26.225 2.674 475 HG13 ILE 65 HG13 ILE 65 0.993 -26.267 3.258 476 HG21 ILE 65 HG21 ILE 65 -1.131 -30.003 2.820 477 HG22 ILE 65 HG22 ILE 65 -0.609 -29.116 1.387 478 HG23 ILE 65 HG23 ILE 65 -1.949 -28.506 2.364 479 HD11 ILE 65 HD11 ILE 65 0.974 -25.748 0.929 480 HD12 ILE 65 HD12 ILE 65 -0.007 -27.164 0.562 481 HD13 ILE 65 HD13 ILE 65 1.654 -27.365 1.127 482 H LEU 66 H LEU 66 -0.366 -25.622 5.271 483 HA LEU 66 HA LEU 66 2.245 -25.656 6.561 484 HB2 LEU 66 HB2 LEU 66 0.338 -23.378 5.907 485 HB3 LEU 66 HB3 LEU 66 1.910 -23.165 6.673 486 HG LEU 66 HG LEU 66 1.468 -24.316 3.889 487 HD11 LEU 66 HD11 LEU 66 2.408 -22.197 3.049 488 HD12 LEU 66 HD12 LEU 66 2.486 -21.566 4.697 489 HD13 LEU 66 HD13 LEU 66 0.922 -21.924 3.959 490 HD21 LEU 66 HD21 LEU 66 3.499 -25.234 4.913 491 HD22 LEU 66 HD22 LEU 66 4.070 -23.609 5.300 492 HD23 LEU 66 HD23 LEU 66 3.918 -24.115 3.615 493 H GLN 67 H GLN 67 2.215 -26.401 8.512 494 HA GLN 67 HA GLN 67 0.070 -26.612 10.317 495 HB2 GLN 67 HB2 GLN 67 3.073 -26.753 10.820 496 HB3 GLN 67 HB3 GLN 67 1.840 -27.326 11.943 497 HG2 GLN 67 HG2 GLN 67 1.140 -29.049 10.380 498 HG3 GLN 67 HG3 GLN 67 2.211 -28.410 9.132 499 HE21 GLN 67 HE21 GLN 67 2.115 -31.090 10.312 500 HE22 GLN 67 HE22 GLN 67 3.683 -31.395 10.964 501 H HIS 68 H HIS 68 2.287 -24.003 9.762 502 HA HIS 68 HA HIS 68 2.247 -22.616 12.219 503 HB2 HIS 68 HB2 HIS 68 2.459 -21.515 9.388 504 HB3 HIS 68 HB3 HIS 68 2.788 -20.585 10.847 505 HD1 HIS 68 HD1 HIS 68 5.222 -20.327 11.126 506 HD2 HIS 68 HD2 HIS 68 4.281 -24.040 9.529 507 HE1 HIS 68 HE1 HIS 68 7.420 -21.471 10.758 508 HE2 HIS 68 HE2 HIS 68 6.827 -23.600 9.544 509 H PHE 69 H PHE 69 -0.032 -22.658 9.510 510 HA PHE 69 HA PHE 69 -1.881 -20.764 10.569 511 HB2 PHE 69 HB2 PHE 69 -2.280 -23.014 8.530 512 HB3 PHE 69 HB3 PHE 69 -3.488 -21.795 8.908 513 HD1 PHE 69 HD1 PHE 69 0.138 -21.888 7.845 514 HD2 PHE 69 HD2 PHE 69 -3.675 -20.025 7.348 515 HE1 PHE 69 HE1 PHE 69 1.052 -20.456 6.065 516 HE2 PHE 69 HE2 PHE 69 -2.748 -18.603 5.576 517 HZ PHE 69 HZ PHE 69 -0.387 -18.814 4.931 518 H GLY 70 H GLY 70 -2.215 -24.338 10.216 519 HA2 GLY 70 HA2 GLY 70 -3.099 -25.908 11.691 520 HA3 GLY 70 HA3 GLY 70 -3.336 -24.650 12.894 521 H ASP 71 H ASP 71 -5.389 -26.233 12.885 522 HA ASP 71 HA ASP 71 -7.234 -26.171 10.753 523 HB2 ASP 71 HB2 ASP 71 -7.677 -26.823 13.689 524 HB3 ASP 71 HB3 ASP 71 -8.863 -27.118 12.419 525 H ARG 72 H ARG 72 -7.111 -24.208 13.736 526 HA ARG 72 HA ARG 72 -9.647 -22.938 13.460 527 HB2 ARG 72 HB2 ARG 72 -7.153 -21.999 14.940 528 HB3 ARG 72 HB3 ARG 72 -8.734 -21.224 15.078 529 HG2 ARG 72 HG2 ARG 72 -9.671 -23.342 15.982 530 HG3 ARG 72 HG3 ARG 72 -8.070 -24.079 15.878 531 HD2 ARG 72 HD2 ARG 72 -7.213 -22.387 17.485 532 HD3 ARG 72 HD3 ARG 72 -8.838 -21.705 17.619 533 HE ARG 72 HE ARG 72 -9.322 -24.234 18.295 534 HH11 ARG 72 HH11 ARG 72 -6.721 -22.144 19.378 535 HH12 ARG 72 HH12 ARG 72 -6.608 -22.888 20.938 536 HH21 ARG 72 HH21 ARG 72 -9.175 -25.198 20.332 537 HH22 ARG 72 HH22 ARG 72 -8.005 -24.625 21.478 538 H LEU 73 H LEU 73 -6.392 -21.970 12.493 539 HA LEU 73 HA LEU 73 -7.037 -19.358 11.521 540 HB2 LEU 73 HB2 LEU 73 -4.767 -20.438 12.308 541 HB3 LEU 73 HB3 LEU 73 -4.639 -21.013 10.667 542 HG LEU 73 HG LEU 73 -3.262 -19.059 10.948 543 HD11 LEU 73 HD11 LEU 73 -5.640 -18.153 9.336 544 HD12 LEU 73 HD12 LEU 73 -4.416 -19.286 8.779 545 HD13 LEU 73 HD13 LEU 73 -3.958 -17.638 9.176 546 HD21 LEU 73 HD21 LEU 73 -4.371 -18.093 12.872 547 HD22 LEU 73 HD22 LEU 73 -5.719 -17.557 11.863 548 HD23 LEU 73 HD23 LEU 73 -4.102 -16.886 11.620 549 H CYS 74 H CYS 74 -6.322 -22.450 9.935 550 HA CYS 74 HA CYS 74 -6.710 -21.845 7.247 551 HB2 CYS 74 HB2 CYS 74 -5.726 -23.954 7.939 552 HB3 CYS 74 HB3 CYS 74 -7.200 -24.434 8.773 553 HG CYS 74 HG CYS 74 -7.994 -23.852 5.682 554 H ARG 75 H ARG 75 -9.046 -22.747 9.736 555 HA ARG 75 HA ARG 75 -11.364 -22.899 8.096 556 HB2 ARG 75 HB2 ARG 75 -11.301 -23.969 10.312 557 HB3 ARG 75 HB3 ARG 75 -11.121 -22.401 11.094 558 HG2 ARG 75 HG2 ARG 75 -13.367 -21.749 10.256 559 HG3 ARG 75 HG3 ARG 75 -13.535 -23.340 9.514 560 HD2 ARG 75 HD2 ARG 75 -13.609 -24.419 11.657 561 HD3 ARG 75 HD3 ARG 75 -13.119 -22.936 12.488 562 HE ARG 75 HE ARG 75 -15.404 -22.172 11.262 563 HH11 ARG 75 HH11 ARG 75 -14.770 -24.985 13.259 564 HH12 ARG 75 HH12 ARG 75 -16.353 -24.996 13.963 565 HH21 ARG 75 HH21 ARG 75 -17.465 -22.195 12.158 566 HH22 ARG 75 HH22 ARG 75 -17.891 -23.392 13.342 567 H MET 76 H MET 76 -10.010 -20.269 10.143 568 HA MET 76 HA MET 76 -11.998 -18.350 9.807 569 HB2 MET 76 HB2 MET 76 -9.004 -18.069 10.238 570 HB3 MET 76 HB3 MET 76 -10.071 -16.668 10.184 571 HG2 MET 76 HG2 MET 76 -10.396 -18.959 12.132 572 HG3 MET 76 HG3 MET 76 -9.529 -17.468 12.475 573 HE1 MET 76 HE1 MET 76 -12.459 -14.801 12.313 574 HE2 MET 76 HE2 MET 76 -11.378 -15.252 10.993 575 HE3 MET 76 HE3 MET 76 -10.739 -15.037 12.624 576 H LEU 77 H LEU 77 -9.025 -18.760 7.849 577 HA LEU 77 HA LEU 77 -9.610 -16.635 6.045 578 HB2 LEU 77 HB2 LEU 77 -7.564 -18.838 6.131 579 HB3 LEU 77 HB3 LEU 77 -7.784 -17.990 4.614 580 HG LEU 77 HG LEU 77 -7.149 -15.867 5.604 581 HD11 LEU 77 HD11 LEU 77 -6.960 -17.311 8.259 582 HD12 LEU 77 HD12 LEU 77 -8.109 -16.042 7.822 583 HD13 LEU 77 HD13 LEU 77 -6.392 -15.668 7.950 584 HD21 LEU 77 HD21 LEU 77 -5.330 -17.293 4.799 585 HD22 LEU 77 HD22 LEU 77 -5.187 -18.044 6.390 586 HD23 LEU 77 HD23 LEU 77 -4.805 -16.335 6.182 587 H ASP 78 H ASP 78 -10.375 -20.071 6.007 588 HA ASP 78 HA ASP 78 -11.189 -20.274 3.270 589 HB2 ASP 78 HB2 ASP 78 -10.573 -22.227 4.712 590 HB3 ASP 78 HB3 ASP 78 -12.013 -21.965 5.679 591 H GLU 79 H GLU 79 -12.954 -19.741 6.309 592 HA GLU 79 HA GLU 79 -15.581 -19.636 5.204 593 HB2 GLU 79 HB2 GLU 79 -14.466 -18.692 7.877 594 HB3 GLU 79 HB3 GLU 79 -16.179 -18.648 7.476 595 HG2 GLU 79 HG2 GLU 79 -16.147 -21.114 7.206 596 HG3 GLU 79 HG3 GLU 79 -14.450 -21.123 7.685 597 H LYS 80 H LYS 80 -13.259 -17.167 6.231 598 HA LYS 80 HA LYS 80 -14.904 -14.909 5.818 599 HB2 LYS 80 HB2 LYS 80 -11.892 -15.220 6.062 600 HB3 LYS 80 HB3 LYS 80 -12.646 -13.646 5.821 601 HG2 LYS 80 HG2 LYS 80 -13.167 -15.512 8.167 602 HG3 LYS 80 HG3 LYS 80 -12.142 -14.077 8.201 603 HD2 LYS 80 HD2 LYS 80 -15.150 -14.146 7.738 604 HD3 LYS 80 HD3 LYS 80 -14.320 -13.582 9.191 605 HE2 LYS 80 HE2 LYS 80 -13.340 -11.712 7.954 606 HE3 LYS 80 HE3 LYS 80 -14.033 -12.307 6.443 607 HZ1 LYS 80 HZ1 LYS 80 -15.418 -10.588 7.252 608 HZ2 LYS 80 HZ2 LYS 80 -15.489 -11.262 8.795 609 HZ3 LYS 80 HZ3 LYS 80 -16.256 -12.036 7.503 610 H LEU 81 H LEU 81 -12.479 -16.510 3.753 611 HA LEU 81 HA LEU 81 -12.514 -14.839 1.515 612 HB2 LEU 81 HB2 LEU 81 -11.005 -16.800 1.783 613 HB3 LEU 81 HB3 LEU 81 -12.372 -17.879 1.578 614 HG LEU 81 HG LEU 81 -12.645 -17.012 -0.784 615 HD11 LEU 81 HD11 LEU 81 -11.574 -14.823 -0.525 616 HD12 LEU 81 HD12 LEU 81 -10.832 -15.750 -1.826 617 HD13 LEU 81 HD13 LEU 81 -10.009 -15.604 -0.271 618 HD21 LEU 81 HD21 LEU 81 -11.446 -19.115 -0.356 619 HD22 LEU 81 HD22 LEU 81 -9.931 -18.225 -0.171 620 HD23 LEU 81 HD23 LEU 81 -10.757 -18.249 -1.730 621 H LYS 82 H LYS 82 -14.591 -17.588 2.334 622 HA LYS 82 HA LYS 82 -16.356 -17.501 0.160 623 HB2 LYS 82 HB2 LYS 82 -16.135 -19.430 1.678 624 HB3 LYS 82 HB3 LYS 82 -16.815 -18.486 2.997 625 HG2 LYS 82 HG2 LYS 82 -18.970 -18.341 1.768 626 HG3 LYS 82 HG3 LYS 82 -18.277 -19.327 0.472 627 HD2 LYS 82 HD2 LYS 82 -17.975 -21.207 2.042 628 HD3 LYS 82 HD3 LYS 82 -18.598 -20.220 3.368 629 HE2 LYS 82 HE2 LYS 82 -20.792 -20.079 2.205 630 HE3 LYS 82 HE3 LYS 82 -20.162 -21.107 0.913 631 HZ1 LYS 82 HZ1 LYS 82 -20.422 -21.880 3.769 632 HZ2 LYS 82 HZ2 LYS 82 -19.825 -22.862 2.533 633 HZ3 LYS 82 HZ3 LYS 82 -21.439 -22.374 2.512 634 H GLN 83 H GLN 83 -16.464 -15.745 3.304 635 HA GLN 83 HA GLN 83 -19.151 -14.782 3.104 636 HB2 GLN 83 HB2 GLN 83 -16.787 -13.666 4.682 637 HB3 GLN 83 HB3 GLN 83 -18.456 -13.126 4.876 638 HG2 GLN 83 HG2 GLN 83 -19.108 -15.340 5.659 639 HG3 GLN 83 HG3 GLN 83 -17.481 -15.947 5.394 640 HE21 GLN 83 HE21 GLN 83 -17.182 -16.547 7.533 641 HE22 GLN 83 HE22 GLN 83 -17.014 -15.407 8.822 642 H HIS 84 H HIS 84 -16.044 -13.573 2.119 643 HA HIS 84 HA HIS 84 -16.773 -10.889 1.480 644 HB2 HIS 84 HB2 HIS 84 -14.453 -11.747 2.107 645 HB3 HIS 84 HB3 HIS 84 -14.356 -12.486 0.511 646 HD1 HIS 84 HD1 HIS 84 -14.156 -9.228 2.290 647 HD2 HIS 84 HD2 HIS 84 -13.971 -10.640 -1.612 648 HE1 HIS 84 HE1 HIS 84 -13.230 -7.329 0.934 649 HE2 HIS 84 HE2 HIS 84 -13.009 -8.253 -1.395 650 H LEU 85 H LEU 85 -16.202 -13.836 -0.434 651 HA LEU 85 HA LEU 85 -16.778 -12.644 -2.987 652 HB2 LEU 85 HB2 LEU 85 -16.653 -15.590 -2.247 653 HB3 LEU 85 HB3 LEU 85 -16.581 -14.929 -3.877 654 HG LEU 85 HG LEU 85 -14.466 -14.637 -1.701 655 HD11 LEU 85 HD11 LEU 85 -13.034 -15.964 -3.167 656 HD12 LEU 85 HD12 LEU 85 -14.355 -16.142 -4.327 657 HD13 LEU 85 HD13 LEU 85 -14.490 -16.849 -2.714 658 HD21 LEU 85 HD21 LEU 85 -14.542 -12.563 -2.985 659 HD22 LEU 85 HD22 LEU 85 -14.414 -13.461 -4.499 660 HD23 LEU 85 HD23 LEU 85 -13.071 -13.464 -3.352 661 H ALA 86 H ALA 86 -18.675 -14.238 -0.509 662 HA ALA 86 HA ALA 86 -20.988 -14.911 -2.096 663 HB1 ALA 86 HB1 ALA 86 -20.519 -16.060 0.036 664 HB2 ALA 86 HB2 ALA 86 -22.110 -15.296 0.071 665 HB3 ALA 86 HB3 ALA 86 -20.748 -14.551 0.919 666 H SER 87 H SER 87 -20.030 -12.184 -0.046 667 HA SER 87 HA SER 87 -22.423 -10.659 -0.342 668 HB2 SER 87 HB2 SER 87 -20.757 -10.273 1.475 669 HB3 SER 87 HB3 SER 87 -19.594 -9.702 0.280 670 HG SER 87 HG SER 87 -22.143 -8.535 0.744 671 H GLY 88 H GLY 88 -19.449 -10.993 -2.198 672 HA2 GLY 88 HA2 GLY 88 -18.940 -10.472 -4.373 673 HA3 GLY 88 HA3 GLY 88 -20.595 -9.924 -4.605 674 H GLY 89 H GLY 89 -18.126 -8.863 -2.313 675 HA2 GLY 89 HA2 GLY 89 -17.881 -6.235 -3.628 676 HA3 GLY 89 HA3 GLY 89 -18.417 -6.304 -1.949 677 H ASP 90 H ASP 90 -16.253 -4.871 -2.286 678 HA ASP 90 HA ASP 90 -14.180 -6.293 -0.893 679 HB2 ASP 90 HB2 ASP 90 -13.615 -6.842 -3.266 680 HB3 ASP 90 HB3 ASP 90 -13.520 -5.123 -3.635 Start of MODEL 16 1 H ARG 11 H ARG 11 14.317 2.074 -2.105 2 HA ARG 11 HA ARG 11 12.096 1.477 -1.514 3 HB2 ARG 11 HB2 ARG 11 12.848 0.417 -4.280 4 HB3 ARG 11 HB3 ARG 11 11.229 0.917 -3.789 5 HG2 ARG 11 HG2 ARG 11 12.008 3.246 -3.522 6 HG3 ARG 11 HG3 ARG 11 13.654 2.758 -3.929 7 HD2 ARG 11 HD2 ARG 11 12.797 2.025 -6.204 8 HD3 ARG 11 HD3 ARG 11 11.233 2.719 -5.772 9 HE ARG 11 HE ARG 11 12.086 4.851 -6.053 10 HH11 ARG 11 HH11 ARG 11 14.808 2.597 -6.175 11 HH12 ARG 11 HH12 ARG 11 15.861 3.754 -6.920 12 HH21 ARG 11 HH21 ARG 11 13.506 6.326 -6.999 13 HH22 ARG 11 HH22 ARG 11 15.132 5.858 -7.378 14 HA PRO 12 HA PRO 12 12.082 -2.939 -0.250 15 HB2 PRO 12 HB2 PRO 12 9.872 -2.862 1.367 16 HB3 PRO 12 HB3 PRO 12 11.445 -2.224 1.869 17 HG2 PRO 12 HG2 PRO 12 9.047 -0.739 0.812 18 HG3 PRO 12 HG3 PRO 12 10.110 -0.322 2.176 19 HD2 PRO 12 HD2 PRO 12 10.355 0.808 -0.319 20 HD3 PRO 12 HD3 PRO 12 11.732 0.606 0.784 21 H LEU 13 H LEU 13 11.576 -4.068 -2.087 22 HA LEU 13 HA LEU 13 9.178 -3.808 -3.599 23 HB2 LEU 13 HB2 LEU 13 11.192 -6.090 -3.570 24 HB3 LEU 13 HB3 LEU 13 9.955 -5.841 -4.796 25 HG LEU 13 HG LEU 13 12.353 -4.027 -4.272 26 HD11 LEU 13 HD11 LEU 13 11.777 -5.865 -6.618 27 HD12 LEU 13 HD12 LEU 13 12.969 -6.134 -5.343 28 HD13 LEU 13 HD13 LEU 13 13.164 -4.781 -6.453 29 HD21 LEU 13 HD21 LEU 13 10.178 -3.719 -6.385 30 HD22 LEU 13 HD22 LEU 13 11.652 -2.751 -6.274 31 HD23 LEU 13 HD23 LEU 13 10.446 -2.662 -4.995 32 HA PRO 14 HA PRO 14 6.734 -6.469 -0.791 33 HB2 PRO 14 HB2 PRO 14 4.286 -5.924 -1.748 34 HB3 PRO 14 HB3 PRO 14 5.242 -4.658 -0.957 35 HG2 PRO 14 HG2 PRO 14 4.829 -5.160 -3.906 36 HG3 PRO 14 HG3 PRO 14 4.788 -3.621 -3.020 37 HD2 PRO 14 HD2 PRO 14 7.003 -4.576 -4.419 38 HD3 PRO 14 HD3 PRO 14 7.086 -3.382 -3.107 39 H VAL 15 H VAL 15 8.176 -7.911 -2.550 40 HA VAL 15 HA VAL 15 6.751 -9.398 -4.537 41 HB VAL 15 HB VAL 15 8.864 -10.729 -4.726 42 HG11 VAL 15 HG11 VAL 15 9.313 -7.717 -4.654 43 HG12 VAL 15 HG12 VAL 15 8.630 -8.630 -6.001 44 HG13 VAL 15 HG13 VAL 15 10.308 -8.888 -5.524 45 HG21 VAL 15 HG21 VAL 15 10.856 -10.115 -3.354 46 HG22 VAL 15 HG22 VAL 15 9.556 -10.753 -2.348 47 HG23 VAL 15 HG23 VAL 15 9.856 -9.015 -2.397 48 H CYS 16 H CYS 16 6.681 -9.707 -1.205 49 HA CYS 16 HA CYS 16 6.393 -12.478 -0.755 50 HB2 CYS 16 HB2 CYS 16 5.016 -11.708 1.213 51 HB3 CYS 16 HB3 CYS 16 6.553 -10.857 1.071 52 HG CYS 16 HG CYS 16 4.341 -9.143 -0.599 53 HA PRO 17 HA PRO 17 2.700 -13.081 -3.428 54 HB2 PRO 17 HB2 PRO 17 2.512 -15.690 -1.916 55 HB3 PRO 17 HB3 PRO 17 2.516 -15.399 -3.663 56 HG2 PRO 17 HG2 PRO 17 4.686 -16.369 -2.490 57 HG3 PRO 17 HG3 PRO 17 4.848 -15.116 -3.741 58 HD2 PRO 17 HD2 PRO 17 4.970 -14.807 -0.727 59 HD3 PRO 17 HD3 PRO 17 6.043 -14.125 -1.977 60 H ASN 18 H ASN 18 1.249 -11.613 -2.649 61 HA ASN 18 HA ASN 18 -0.369 -12.303 -0.273 62 HB2 ASN 18 HB2 ASN 18 -0.925 -9.848 -0.147 63 HB3 ASN 18 HB3 ASN 18 0.755 -10.229 0.164 64 HD21 ASN 18 HD21 ASN 18 2.330 -9.477 -1.218 65 HD22 ASN 18 HD22 ASN 18 2.031 -8.354 -2.495 66 HA PRO 19 HA PRO 19 -3.514 -12.843 -3.563 67 HB2 PRO 19 HB2 PRO 19 -4.816 -14.732 -1.715 68 HB3 PRO 19 HB3 PRO 19 -4.083 -15.052 -3.290 69 HG2 PRO 19 HG2 PRO 19 -3.008 -15.947 -0.941 70 HG3 PRO 19 HG3 PRO 19 -2.033 -15.595 -2.380 71 HD2 PRO 19 HD2 PRO 19 -2.468 -13.888 0.074 72 HD3 PRO 19 HD3 PRO 19 -0.972 -14.216 -0.832 73 H LEU 20 H LEU 20 -4.370 -13.045 -0.127 74 HA LEU 20 HA LEU 20 -5.880 -10.675 0.061 75 HB2 LEU 20 HB2 LEU 20 -7.408 -12.059 -1.423 76 HB3 LEU 20 HB3 LEU 20 -7.557 -13.228 -0.135 77 HG LEU 20 HG LEU 20 -8.774 -11.621 1.253 78 HD11 LEU 20 HD11 LEU 20 -7.597 -9.557 0.646 79 HD12 LEU 20 HD12 LEU 20 -9.338 -9.354 0.471 80 HD13 LEU 20 HD13 LEU 20 -8.328 -9.590 -0.960 81 HD21 LEU 20 HD21 LEU 20 -10.088 -12.909 -0.374 82 HD22 LEU 20 HD22 LEU 20 -9.849 -11.656 -1.593 83 HD23 LEU 20 HD23 LEU 20 -10.796 -11.310 -0.144 84 H PHE 21 H PHE 21 -5.229 -13.951 1.124 85 HA PHE 21 HA PHE 21 -6.054 -13.768 3.812 86 HB2 PHE 21 HB2 PHE 21 -4.012 -15.575 2.472 87 HB3 PHE 21 HB3 PHE 21 -4.527 -15.772 4.142 88 HD1 PHE 21 HD1 PHE 21 -7.491 -14.794 2.676 89 HD2 PHE 21 HD2 PHE 21 -4.765 -18.092 2.620 90 HE1 PHE 21 HE1 PHE 21 -9.300 -16.293 1.979 91 HE2 PHE 21 HE2 PHE 21 -6.592 -19.577 1.926 92 HZ PHE 21 HZ PHE 21 -8.858 -18.685 1.604 93 H VAL 22 H VAL 22 -2.977 -12.864 2.267 94 HA VAL 22 HA VAL 22 -1.400 -12.580 4.602 95 HB VAL 22 HB VAL 22 -1.158 -11.228 1.883 96 HG11 VAL 22 HG11 VAL 22 -0.092 -9.726 3.528 97 HG12 VAL 22 HG12 VAL 22 1.136 -10.512 2.534 98 HG13 VAL 22 HG13 VAL 22 0.839 -11.078 4.179 99 HG21 VAL 22 HG21 VAL 22 -0.755 -13.660 1.888 100 HG22 VAL 22 HG22 VAL 22 0.443 -13.472 3.171 101 HG23 VAL 22 HG23 VAL 22 0.746 -12.786 1.573 102 H ARG 23 H ARG 23 -3.215 -10.021 2.765 103 HA ARG 23 HA ARG 23 -2.664 -7.945 4.589 104 HB2 ARG 23 HB2 ARG 23 -4.369 -6.632 3.512 105 HB3 ARG 23 HB3 ARG 23 -3.549 -7.567 2.269 106 HG2 ARG 23 HG2 ARG 23 -5.451 -9.144 2.193 107 HG3 ARG 23 HG3 ARG 23 -6.265 -8.237 3.469 108 HD2 ARG 23 HD2 ARG 23 -7.224 -7.627 1.323 109 HD3 ARG 23 HD3 ARG 23 -6.337 -6.244 1.964 110 HE ARG 23 HE ARG 23 -4.537 -7.506 0.359 111 HH11 ARG 23 HH11 ARG 23 -7.758 -6.217 -0.244 112 HH12 ARG 23 HH12 ARG 23 -7.413 -5.842 -1.903 113 HH21 ARG 23 HH21 ARG 23 -4.115 -7.023 -1.802 114 HH22 ARG 23 HH22 ARG 23 -5.354 -6.300 -2.778 115 H TRP 24 H TRP 24 -5.237 -10.376 4.555 116 HA TRP 24 HA TRP 24 -6.793 -9.362 6.692 117 HB2 TRP 24 HB2 TRP 24 -6.556 -12.088 5.389 118 HB3 TRP 24 HB3 TRP 24 -7.516 -11.904 6.849 119 HD1 TRP 24 HD1 TRP 24 -8.353 -8.793 5.522 120 HE1 TRP 24 HE1 TRP 24 -10.425 -8.831 4.014 121 HE3 TRP 24 HE3 TRP 24 -8.537 -13.815 4.405 122 HZ2 TRP 24 HZ2 TRP 24 -11.945 -10.676 2.584 123 HZ3 TRP 24 HZ3 TRP 24 -10.349 -14.618 2.975 124 HH2 TRP 24 HH2 TRP 24 -12.019 -13.081 2.073 125 H LEU 25 H LEU 25 -4.114 -11.742 6.690 126 HA LEU 25 HA LEU 25 -4.182 -12.284 9.489 127 HB2 LEU 25 HB2 LEU 25 -2.008 -12.712 7.405 128 HB3 LEU 25 HB3 LEU 25 -1.844 -13.242 9.077 129 HG LEU 25 HG LEU 25 -4.078 -14.186 7.230 130 HD11 LEU 25 HD11 LEU 25 -1.960 -14.983 6.335 131 HD12 LEU 25 HD12 LEU 25 -2.854 -16.319 7.059 132 HD13 LEU 25 HD13 LEU 25 -1.486 -15.605 7.919 133 HD21 LEU 25 HD21 LEU 25 -3.172 -15.179 9.959 134 HD22 LEU 25 HD22 LEU 25 -4.441 -15.905 8.967 135 HD23 LEU 25 HD23 LEU 25 -4.653 -14.279 9.612 136 H THR 26 H THR 26 -2.680 -9.783 7.589 137 HA THR 26 HA THR 26 -0.830 -8.775 9.534 138 HB THR 26 HB THR 26 -2.071 -7.385 7.114 139 HG1 THR 26 HG1 THR 26 -0.745 -9.407 6.860 140 HG21 THR 26 HG21 THR 26 0.450 -6.694 8.672 141 HG22 THR 26 HG22 THR 26 -1.048 -5.762 8.671 142 HG23 THR 26 HG23 THR 26 -0.101 -5.901 7.191 143 H GLU 27 H GLU 27 -4.097 -7.754 8.465 144 HA GLU 27 HA GLU 27 -4.228 -5.475 10.179 145 HB2 GLU 27 HB2 GLU 27 -6.586 -5.278 9.470 146 HB3 GLU 27 HB3 GLU 27 -5.525 -5.551 8.093 147 HG2 GLU 27 HG2 GLU 27 -6.196 -7.918 8.031 148 HG3 GLU 27 HG3 GLU 27 -7.245 -7.671 9.420 149 H TRP 28 H TRP 28 -5.494 -8.794 10.423 150 HA TRP 28 HA TRP 28 -7.019 -8.397 12.798 151 HB2 TRP 28 HB2 TRP 28 -5.905 -10.986 11.644 152 HB3 TRP 28 HB3 TRP 28 -7.101 -10.882 12.929 153 HD1 TRP 28 HD1 TRP 28 -8.674 -8.438 11.068 154 HE1 TRP 28 HE1 TRP 28 -10.250 -9.334 9.247 155 HE3 TRP 28 HE3 TRP 28 -6.904 -13.210 10.752 156 HZ2 TRP 28 HZ2 TRP 28 -10.706 -11.754 7.866 157 HZ3 TRP 28 HZ3 TRP 28 -7.965 -14.757 9.171 158 HH2 TRP 28 HH2 TRP 28 -9.826 -14.054 7.751 159 H ARG 29 H ARG 29 -3.695 -9.483 12.156 160 HA ARG 29 HA ARG 29 -2.839 -10.146 14.759 161 HB2 ARG 29 HB2 ARG 29 -1.488 -10.599 12.763 162 HB3 ARG 29 HB3 ARG 29 -1.355 -8.879 12.424 163 HG2 ARG 29 HG2 ARG 29 -0.080 -8.751 14.707 164 HG3 ARG 29 HG3 ARG 29 0.053 -10.509 14.551 165 HD2 ARG 29 HD2 ARG 29 2.050 -9.346 13.642 166 HD3 ARG 29 HD3 ARG 29 1.203 -10.255 12.390 167 HE ARG 29 HE ARG 29 0.180 -8.090 11.705 168 HH11 ARG 29 HH11 ARG 29 3.260 -8.018 13.379 169 HH12 ARG 29 HH12 ARG 29 3.695 -6.463 12.748 170 HH21 ARG 29 HH21 ARG 29 0.743 -6.031 10.928 171 HH22 ARG 29 HH22 ARG 29 2.272 -5.344 11.364 172 H ASP 30 H ASP 30 -3.014 -7.030 13.080 173 HA ASP 30 HA ASP 30 -1.724 -5.463 15.111 174 HB2 ASP 30 HB2 ASP 30 -1.770 -4.851 12.682 175 HB3 ASP 30 HB3 ASP 30 -3.497 -4.545 12.810 176 H GLU 31 H GLU 31 -5.094 -6.114 14.243 177 HA GLU 31 HA GLU 31 -6.396 -4.546 16.191 178 HB2 GLU 31 HB2 GLU 31 -7.266 -7.252 15.070 179 HB3 GLU 31 HB3 GLU 31 -8.301 -6.138 15.962 180 HG2 GLU 31 HG2 GLU 31 -7.157 -5.775 13.180 181 HG3 GLU 31 HG3 GLU 31 -8.845 -5.969 13.642 182 H ALA 32 H ALA 32 -5.030 -7.788 16.244 183 HA ALA 32 HA ALA 32 -5.850 -8.483 18.893 184 HB1 ALA 32 HB1 ALA 32 -4.471 -10.479 18.529 185 HB2 ALA 32 HB2 ALA 32 -3.782 -9.746 17.071 186 HB3 ALA 32 HB3 ALA 32 -5.500 -10.147 17.134 187 H ALA 33 H ALA 33 -3.159 -6.719 17.594 188 HA ALA 33 HA ALA 33 -1.399 -7.004 19.861 189 HB1 ALA 33 HB1 ALA 33 -0.083 -5.217 18.786 190 HB2 ALA 33 HB2 ALA 33 -1.386 -4.956 17.621 191 HB3 ALA 33 HB3 ALA 33 -0.511 -6.487 17.634 192 H SER 34 H SER 34 -3.574 -4.432 18.669 193 HA SER 34 HA SER 34 -3.121 -2.652 20.874 194 HB2 SER 34 HB2 SER 34 -5.260 -2.644 18.701 195 HB3 SER 34 HB3 SER 34 -4.910 -1.295 19.788 196 HG SER 34 HG SER 34 -2.648 -1.585 18.887 197 H ARG 35 H ARG 35 -5.938 -4.625 19.879 198 HA ARG 35 HA ARG 35 -7.587 -4.035 22.125 199 HB2 ARG 35 HB2 ARG 35 -8.352 -4.861 19.828 200 HB3 ARG 35 HB3 ARG 35 -7.777 -6.456 20.275 201 HG2 ARG 35 HG2 ARG 35 -10.139 -6.445 20.584 202 HG3 ARG 35 HG3 ARG 35 -9.419 -6.427 22.194 203 HD2 ARG 35 HD2 ARG 35 -9.840 -3.993 22.353 204 HD3 ARG 35 HD3 ARG 35 -10.543 -4.005 20.730 205 HE ARG 35 HE ARG 35 -11.851 -5.866 22.463 206 HH11 ARG 35 HH11 ARG 35 -11.793 -2.445 21.626 207 HH12 ARG 35 HH12 ARG 35 -13.379 -2.156 22.264 208 HH21 ARG 35 HH21 ARG 35 -13.895 -5.472 23.247 209 HH22 ARG 35 HH22 ARG 35 -14.569 -3.876 23.184 210 H GLY 36 H GLY 36 -5.085 -6.427 21.539 211 HA2 GLY 36 HA2 GLY 36 -3.960 -7.805 23.027 212 HA3 GLY 36 HA3 GLY 36 -5.054 -7.298 24.305 213 H ARG 37 H ARG 37 -4.606 -9.473 21.599 214 HA ARG 37 HA ARG 37 -6.710 -11.300 22.589 215 HB2 ARG 37 HB2 ARG 37 -6.157 -10.602 19.661 216 HB3 ARG 37 HB3 ARG 37 -7.289 -11.832 20.207 217 HG2 ARG 37 HG2 ARG 37 -8.796 -10.204 21.085 218 HG3 ARG 37 HG3 ARG 37 -7.590 -8.922 20.986 219 HD2 ARG 37 HD2 ARG 37 -9.352 -8.767 19.223 220 HD3 ARG 37 HD3 ARG 37 -7.715 -8.879 18.573 221 HE ARG 37 HE ARG 37 -9.328 -11.328 18.775 222 HH11 ARG 37 HH11 ARG 37 -7.862 -8.895 16.666 223 HH12 ARG 37 HH12 ARG 37 -8.142 -9.812 15.225 224 HH21 ARG 37 HH21 ARG 37 -9.662 -12.507 16.885 225 HH22 ARG 37 HH22 ARG 37 -9.169 -11.861 15.351 226 H HIS 38 H HIS 38 -6.238 -13.473 22.347 227 HA HIS 38 HA HIS 38 -3.502 -14.244 22.526 228 HB2 HIS 38 HB2 HIS 38 -6.073 -15.867 22.421 229 HB3 HIS 38 HB3 HIS 38 -4.490 -16.603 22.658 230 HD1 HIS 38 HD1 HIS 38 -3.914 -16.956 25.044 231 HD2 HIS 38 HD2 HIS 38 -6.579 -13.802 24.567 232 HE1 HIS 38 HE1 HIS 38 -4.468 -16.192 27.376 233 HE2 HIS 38 HE2 HIS 38 -5.934 -14.166 27.047 234 H THR 39 H THR 39 -5.687 -14.036 19.871 235 HA THR 39 HA THR 39 -4.460 -16.039 18.207 236 HB THR 39 HB THR 39 -5.986 -15.047 16.431 237 HG1 THR 39 HG1 THR 39 -7.673 -13.667 17.765 238 HG21 THR 39 HG21 THR 39 -6.740 -16.958 17.801 239 HG22 THR 39 HG22 THR 39 -8.076 -15.857 17.463 240 HG23 THR 39 HG23 THR 39 -7.310 -15.846 19.052 241 H ARG 40 H ARG 40 -3.436 -12.914 19.026 242 HA ARG 40 HA ARG 40 -2.495 -11.737 16.684 243 HB2 ARG 40 HB2 ARG 40 -2.312 -10.597 18.832 244 HB3 ARG 40 HB3 ARG 40 -1.207 -11.821 19.445 245 HG2 ARG 40 HG2 ARG 40 0.536 -11.096 17.902 246 HG3 ARG 40 HG3 ARG 40 -0.574 -9.955 17.133 247 HD2 ARG 40 HD2 ARG 40 1.007 -8.860 18.704 248 HD3 ARG 40 HD3 ARG 40 -0.673 -8.623 19.141 249 HE ARG 40 HE ARG 40 -0.394 -10.290 20.892 250 HH11 ARG 40 HH11 ARG 40 2.604 -9.005 19.585 251 HH12 ARG 40 HH12 ARG 40 3.469 -9.210 21.074 252 HH21 ARG 40 HH21 ARG 40 0.766 -10.531 22.825 253 HH22 ARG 40 HH22 ARG 40 2.434 -10.070 22.896 254 H PHE 41 H PHE 41 -1.115 -14.323 18.574 255 HA PHE 41 HA PHE 41 1.442 -14.440 17.321 256 HB2 PHE 41 HB2 PHE 41 0.031 -16.552 19.002 257 HB3 PHE 41 HB3 PHE 41 1.763 -16.447 18.680 258 HD1 PHE 41 HD1 PHE 41 2.971 -14.257 19.461 259 HD2 PHE 41 HD2 PHE 41 -0.840 -15.494 20.955 260 HE1 PHE 41 HE1 PHE 41 3.273 -12.823 21.434 261 HE2 PHE 41 HE2 PHE 41 -0.534 -14.044 22.919 262 HZ PHE 41 HZ PHE 41 1.522 -12.713 23.156 263 H VAL 42 H VAL 42 -1.575 -16.362 16.955 264 HA VAL 42 HA VAL 42 -0.441 -18.223 15.106 265 HB VAL 42 HB VAL 42 -2.462 -18.744 16.507 266 HG11 VAL 42 HG11 VAL 42 -4.716 -18.092 15.748 267 HG12 VAL 42 HG12 VAL 42 -3.997 -17.015 14.550 268 HG13 VAL 42 HG13 VAL 42 -3.767 -16.696 16.268 269 HG21 VAL 42 HG21 VAL 42 -3.616 -20.096 14.790 270 HG22 VAL 42 HG22 VAL 42 -1.863 -20.174 14.608 271 HG23 VAL 42 HG23 VAL 42 -2.814 -19.160 13.522 272 H PHE 43 H PHE 43 -2.157 -15.150 14.758 273 HA PHE 43 HA PHE 43 -2.477 -15.143 11.933 274 HB2 PHE 43 HB2 PHE 43 -2.160 -12.789 13.854 275 HB3 PHE 43 HB3 PHE 43 -2.598 -12.627 12.158 276 HD1 PHE 43 HD1 PHE 43 -4.545 -15.024 12.042 277 HD2 PHE 43 HD2 PHE 43 -4.131 -11.802 14.823 278 HE1 PHE 43 HE1 PHE 43 -6.924 -15.212 12.621 279 HE2 PHE 43 HE2 PHE 43 -6.521 -11.999 15.392 280 HZ PHE 43 HZ PHE 43 -7.916 -13.705 14.292 281 H GLN 44 H GLN 44 0.163 -14.074 14.073 282 HA GLN 44 HA GLN 44 1.844 -12.840 12.138 283 HB2 GLN 44 HB2 GLN 44 2.084 -12.378 14.536 284 HB3 GLN 44 HB3 GLN 44 2.466 -14.064 14.868 285 HG2 GLN 44 HG2 GLN 44 4.571 -13.793 13.519 286 HG3 GLN 44 HG3 GLN 44 4.197 -12.074 13.358 287 HE21 GLN 44 HE21 GLN 44 6.106 -11.481 14.461 288 HE22 GLN 44 HE22 GLN 44 6.300 -11.694 16.166 289 H LYS 45 H LYS 45 1.812 -16.139 13.481 290 HA LYS 45 HA LYS 45 4.156 -17.128 12.201 291 HB2 LYS 45 HB2 LYS 45 1.732 -18.597 13.325 292 HB3 LYS 45 HB3 LYS 45 3.217 -19.399 12.811 293 HG2 LYS 45 HG2 LYS 45 4.478 -18.249 14.565 294 HG3 LYS 45 HG3 LYS 45 3.038 -17.339 15.034 295 HD2 LYS 45 HD2 LYS 45 3.463 -19.215 16.577 296 HD3 LYS 45 HD3 LYS 45 1.920 -19.408 15.744 297 HE2 LYS 45 HE2 LYS 45 2.885 -21.074 14.252 298 HE3 LYS 45 HE3 LYS 45 4.495 -20.804 14.912 299 HZ1 LYS 45 HZ1 LYS 45 3.730 -21.673 17.029 300 HZ2 LYS 45 HZ2 LYS 45 3.448 -22.802 15.800 301 HZ3 LYS 45 HZ3 LYS 45 2.171 -21.885 16.416 302 H ALA 46 H ALA 46 0.728 -17.485 11.453 303 HA ALA 46 HA ALA 46 0.903 -18.901 9.029 304 HB1 ALA 46 HB1 ALA 46 -1.152 -18.669 10.355 305 HB2 ALA 46 HB2 ALA 46 -1.419 -18.149 8.690 306 HB3 ALA 46 HB3 ALA 46 -1.216 -16.949 9.975 307 H LEU 47 H LEU 47 0.949 -15.444 9.731 308 HA LEU 47 HA LEU 47 0.713 -14.373 7.131 309 HB2 LEU 47 HB2 LEU 47 0.395 -13.048 9.191 310 HB3 LEU 47 HB3 LEU 47 2.088 -13.251 9.610 311 HG LEU 47 HG LEU 47 2.742 -11.877 7.644 312 HD11 LEU 47 HD11 LEU 47 1.049 -10.630 6.368 313 HD12 LEU 47 HD12 LEU 47 -0.242 -11.500 7.202 314 HD13 LEU 47 HD13 LEU 47 0.875 -12.370 6.145 315 HD21 LEU 47 HD21 LEU 47 0.742 -10.512 9.492 316 HD22 LEU 47 HD22 LEU 47 1.984 -9.702 8.532 317 HD23 LEU 47 HD23 LEU 47 2.453 -10.798 9.829 318 H ARG 48 H ARG 48 3.589 -15.035 9.113 319 HA ARG 48 HA ARG 48 5.566 -14.130 7.336 320 HB2 ARG 48 HB2 ARG 48 5.830 -14.618 9.819 321 HB3 ARG 48 HB3 ARG 48 5.891 -16.331 9.437 322 HG2 ARG 48 HG2 ARG 48 7.882 -14.346 8.281 323 HG3 ARG 48 HG3 ARG 48 8.120 -15.086 9.858 324 HD2 ARG 48 HD2 ARG 48 8.372 -17.270 8.892 325 HD3 ARG 48 HD3 ARG 48 7.776 -16.732 7.325 326 HE ARG 48 HE ARG 48 10.449 -16.461 8.380 327 HH11 ARG 48 HH11 ARG 48 8.202 -15.215 5.975 328 HH12 ARG 48 HH12 ARG 48 9.465 -14.656 4.928 329 HH21 ARG 48 HH21 ARG 48 12.055 -15.689 7.023 330 HH22 ARG 48 HH22 ARG 48 11.641 -14.929 5.526 331 H SER 49 H SER 49 4.214 -17.367 7.863 332 HA SER 49 HA SER 49 5.839 -18.823 6.086 333 HB2 SER 49 HB2 SER 49 3.009 -19.363 7.051 334 HB3 SER 49 HB3 SER 49 4.003 -20.538 6.183 335 HG SER 49 HG SER 49 4.625 -19.313 8.663 336 H LEU 50 H LEU 50 2.729 -17.159 5.536 337 HA LEU 50 HA LEU 50 2.303 -18.105 2.885 338 HB2 LEU 50 HB2 LEU 50 0.742 -16.834 4.714 339 HB3 LEU 50 HB3 LEU 50 1.130 -15.459 3.702 340 HG LEU 50 HG LEU 50 -0.245 -18.018 2.788 341 HD11 LEU 50 HD11 LEU 50 -1.662 -16.679 4.241 342 HD12 LEU 50 HD12 LEU 50 -2.264 -16.677 2.587 343 HD13 LEU 50 HD13 LEU 50 -1.417 -15.260 3.214 344 HD21 LEU 50 HD21 LEU 50 0.256 -15.507 1.151 345 HD22 LEU 50 HD22 LEU 50 -0.684 -16.913 0.642 346 HD23 LEU 50 HD23 LEU 50 1.047 -17.069 0.925 347 H GLN 51 H GLN 51 3.866 -15.244 4.229 348 HA GLN 51 HA GLN 51 4.249 -13.804 1.808 349 HB2 GLN 51 HB2 GLN 51 5.647 -13.585 4.501 350 HB3 GLN 51 HB3 GLN 51 5.886 -12.445 3.176 351 HG2 GLN 51 HG2 GLN 51 3.464 -11.877 3.266 352 HG3 GLN 51 HG3 GLN 51 3.274 -12.962 4.643 353 HE21 GLN 51 HE21 GLN 51 4.367 -12.408 6.624 354 HE22 GLN 51 HE22 GLN 51 4.762 -10.763 6.974 355 H ARG 52 H ARG 52 6.171 -16.336 3.378 356 HA ARG 52 HA ARG 52 8.350 -15.953 1.424 357 HB2 ARG 52 HB2 ARG 52 9.592 -17.620 2.683 358 HB3 ARG 52 HB3 ARG 52 8.977 -16.389 3.780 359 HG2 ARG 52 HG2 ARG 52 7.215 -17.888 4.562 360 HG3 ARG 52 HG3 ARG 52 7.676 -19.113 3.378 361 HD2 ARG 52 HD2 ARG 52 9.907 -19.298 4.501 362 HD3 ARG 52 HD3 ARG 52 9.353 -18.151 5.725 363 HE ARG 52 HE ARG 52 8.028 -19.787 6.668 364 HH11 ARG 52 HH11 ARG 52 9.330 -21.071 3.658 365 HH12 ARG 52 HH12 ARG 52 8.941 -22.712 4.061 366 HH21 ARG 52 HH21 ARG 52 7.552 -21.926 7.174 367 HH22 ARG 52 HH22 ARG 52 7.937 -23.186 6.048 368 H TYR 53 H TYR 53 5.534 -17.902 1.873 369 HA TYR 53 HA TYR 53 6.364 -20.220 0.364 370 HB2 TYR 53 HB2 TYR 53 4.624 -20.208 2.222 371 HB3 TYR 53 HB3 TYR 53 3.535 -19.352 1.137 372 HD1 TYR 53 HD1 TYR 53 5.797 -22.324 0.580 373 HD2 TYR 53 HD2 TYR 53 1.782 -20.853 0.628 374 HE1 TYR 53 HE1 TYR 53 4.986 -24.511 -0.199 375 HE2 TYR 53 HE2 TYR 53 0.987 -23.045 -0.138 376 HH TYR 53 HH TYR 53 1.736 -24.976 -1.263 377 HA PRO 54 HA PRO 54 5.557 -17.931 -3.493 378 HB2 PRO 54 HB2 PRO 54 6.739 -19.603 -5.238 379 HB3 PRO 54 HB3 PRO 54 7.694 -18.740 -4.019 380 HG2 PRO 54 HG2 PRO 54 6.690 -21.590 -3.975 381 HG3 PRO 54 HG3 PRO 54 8.309 -20.975 -3.583 382 HD2 PRO 54 HD2 PRO 54 6.379 -21.538 -1.680 383 HD3 PRO 54 HD3 PRO 54 7.688 -20.358 -1.437 384 H LEU 55 H LEU 55 3.405 -19.692 -2.366 385 HA LEU 55 HA LEU 55 1.968 -20.322 -4.882 386 HB2 LEU 55 HB2 LEU 55 2.664 -22.326 -3.350 387 HB3 LEU 55 HB3 LEU 55 1.482 -21.723 -2.214 388 HG LEU 55 HG LEU 55 0.669 -23.655 -3.523 389 HD11 LEU 55 HD11 LEU 55 -1.527 -22.820 -4.187 390 HD12 LEU 55 HD12 LEU 55 -0.935 -21.158 -4.120 391 HD13 LEU 55 HD13 LEU 55 -1.004 -22.131 -2.650 392 HD21 LEU 55 HD21 LEU 55 0.155 -23.475 -5.915 393 HD22 LEU 55 HD22 LEU 55 1.880 -23.303 -5.605 394 HD23 LEU 55 HD23 LEU 55 0.905 -21.876 -5.968 395 HA PRO 56 HA PRO 56 -0.633 -17.019 -2.998 396 HB2 PRO 56 HB2 PRO 56 -2.476 -16.868 -5.047 397 HB3 PRO 56 HB3 PRO 56 -0.897 -16.072 -5.109 398 HG2 PRO 56 HG2 PRO 56 -1.754 -18.700 -6.317 399 HG3 PRO 56 HG3 PRO 56 -0.787 -17.402 -7.051 400 HD2 PRO 56 HD2 PRO 56 0.359 -19.646 -6.032 401 HD3 PRO 56 HD3 PRO 56 1.170 -18.063 -5.943 402 H LEU 57 H LEU 57 -1.423 -18.237 -1.262 403 HA LEU 57 HA LEU 57 -3.283 -20.387 -1.431 404 HB2 LEU 57 HB2 LEU 57 -2.709 -18.539 0.925 405 HB3 LEU 57 HB3 LEU 57 -3.567 -20.074 1.014 406 HG LEU 57 HG LEU 57 -0.609 -19.682 0.361 407 HD11 LEU 57 HD11 LEU 57 -0.219 -20.907 2.459 408 HD12 LEU 57 HD12 LEU 57 -1.957 -20.968 2.757 409 HD13 LEU 57 HD13 LEU 57 -1.120 -19.418 2.734 410 HD21 LEU 57 HD21 LEU 57 -2.177 -22.283 0.450 411 HD22 LEU 57 HD22 LEU 57 -0.431 -22.130 0.284 412 HD23 LEU 57 HD23 LEU 57 -1.484 -21.531 -0.987 413 H ARG 58 H ARG 58 -5.172 -20.055 -2.419 414 HA ARG 58 HA ARG 58 -6.768 -17.615 -1.948 415 HB2 ARG 58 HB2 ARG 58 -7.195 -19.848 -3.988 416 HB3 ARG 58 HB3 ARG 58 -8.089 -18.328 -3.900 417 HG2 ARG 58 HG2 ARG 58 -5.933 -17.118 -4.396 418 HG3 ARG 58 HG3 ARG 58 -5.165 -18.692 -4.642 419 HD2 ARG 58 HD2 ARG 58 -5.851 -17.712 -6.788 420 HD3 ARG 58 HD3 ARG 58 -6.780 -19.183 -6.469 421 HE ARG 58 HE ARG 58 -8.216 -16.998 -5.458 422 HH11 ARG 58 HH11 ARG 58 -7.300 -18.218 -8.626 423 HH12 ARG 58 HH12 ARG 58 -8.679 -17.517 -9.408 424 HH21 ARG 58 HH21 ARG 58 -10.001 -16.110 -6.491 425 HH22 ARG 58 HH22 ARG 58 -10.208 -16.340 -8.199 426 H SER 59 H SER 59 -6.548 -20.807 -0.798 427 HA SER 59 HA SER 59 -9.254 -20.693 0.357 428 HB2 SER 59 HB2 SER 59 -8.179 -23.097 -1.189 429 HB3 SER 59 HB3 SER 59 -9.665 -23.085 -0.237 430 HG SER 59 HG SER 59 -9.611 -21.012 -1.992 431 H GLY 60 H GLY 60 -9.528 -21.921 2.235 432 HA2 GLY 60 HA2 GLY 60 -7.355 -22.158 4.039 433 HA3 GLY 60 HA3 GLY 60 -8.982 -22.790 4.270 434 H LYS 61 H LYS 61 -8.835 -24.471 1.843 435 HA LYS 61 HA LYS 61 -7.826 -26.932 2.658 436 HB2 LYS 61 HB2 LYS 61 -9.340 -26.731 0.745 437 HB3 LYS 61 HB3 LYS 61 -8.174 -25.743 -0.129 438 HG2 LYS 61 HG2 LYS 61 -6.650 -27.736 -0.241 439 HG3 LYS 61 HG3 LYS 61 -7.935 -28.709 0.492 440 HD2 LYS 61 HD2 LYS 61 -8.187 -27.176 -2.136 441 HD3 LYS 61 HD3 LYS 61 -7.820 -28.898 -2.014 442 HE2 LYS 61 HE2 LYS 61 -10.372 -27.583 -1.000 443 HE3 LYS 61 HE3 LYS 61 -10.216 -28.453 -2.525 444 HZ1 LYS 61 HZ1 LYS 61 -9.670 -30.455 -1.291 445 HZ2 LYS 61 HZ2 LYS 61 -11.168 -29.841 -0.802 446 HZ3 LYS 61 HZ3 LYS 61 -9.812 -29.628 0.178 447 H GLU 62 H GLU 62 -6.317 -24.395 0.717 448 HA GLU 62 HA GLU 62 -3.810 -25.734 0.251 449 HB2 GLU 62 HB2 GLU 62 -4.556 -22.808 -0.182 450 HB3 GLU 62 HB3 GLU 62 -3.184 -23.661 -0.896 451 HG2 GLU 62 HG2 GLU 62 -4.711 -25.072 -2.187 452 HG3 GLU 62 HG3 GLU 62 -6.105 -24.282 -1.437 453 H ALA 63 H ALA 63 -5.066 -23.377 2.512 454 HA ALA 63 HA ALA 63 -2.565 -22.465 3.584 455 HB1 ALA 63 HB1 ALA 63 -3.978 -21.367 5.289 456 HB2 ALA 63 HB2 ALA 63 -5.387 -22.262 4.710 457 HB3 ALA 63 HB3 ALA 63 -4.597 -21.079 3.664 458 H LYS 64 H LYS 64 -4.678 -25.141 4.237 459 HA LYS 64 HA LYS 64 -4.123 -25.596 6.992 460 HB2 LYS 64 HB2 LYS 64 -6.187 -26.332 5.765 461 HB3 LYS 64 HB3 LYS 64 -5.213 -27.501 4.888 462 HG2 LYS 64 HG2 LYS 64 -4.742 -28.663 7.038 463 HG3 LYS 64 HG3 LYS 64 -5.770 -27.492 7.872 464 HD2 LYS 64 HD2 LYS 64 -7.007 -29.556 7.421 465 HD3 LYS 64 HD3 LYS 64 -7.713 -28.224 6.516 466 HE2 LYS 64 HE2 LYS 64 -6.466 -28.996 4.485 467 HE3 LYS 64 HE3 LYS 64 -5.850 -30.365 5.411 468 HZ1 LYS 64 HZ1 LYS 64 -8.723 -29.828 4.944 469 HZ2 LYS 64 HZ2 LYS 64 -8.044 -31.213 5.640 470 HZ3 LYS 64 HZ3 LYS 64 -7.779 -30.870 4.009 471 H ILE 65 H ILE 65 -2.435 -26.526 4.079 472 HA ILE 65 HA ILE 65 -1.090 -28.825 5.172 473 HB ILE 65 HB ILE 65 0.255 -28.875 3.147 474 HG12 ILE 65 HG12 ILE 65 -0.916 -26.147 2.456 475 HG13 ILE 65 HG13 ILE 65 0.749 -26.446 2.927 476 HG21 ILE 65 HG21 ILE 65 -1.534 -29.033 1.443 477 HG22 ILE 65 HG22 ILE 65 -2.620 -28.103 2.479 478 HG23 ILE 65 HG23 ILE 65 -2.074 -29.706 2.986 479 HD11 ILE 65 HD11 ILE 65 -0.603 -27.403 0.410 480 HD12 ILE 65 HD12 ILE 65 1.061 -27.777 0.873 481 HD13 ILE 65 HD13 ILE 65 0.584 -26.107 0.556 482 H LEU 66 H LEU 66 -0.564 -25.412 5.388 483 HA LEU 66 HA LEU 66 2.174 -25.736 6.416 484 HB2 LEU 66 HB2 LEU 66 0.571 -23.158 6.165 485 HB3 LEU 66 HB3 LEU 66 2.279 -23.312 6.530 486 HG LEU 66 HG LEU 66 2.367 -24.432 4.102 487 HD11 LEU 66 HD11 LEU 66 -0.084 -22.665 3.821 488 HD12 LEU 66 HD12 LEU 66 -0.069 -24.427 3.723 489 HD13 LEU 66 HD13 LEU 66 0.788 -23.473 2.516 490 HD21 LEU 66 HD21 LEU 66 2.918 -22.260 3.130 491 HD22 LEU 66 HD22 LEU 66 3.586 -22.409 4.753 492 HD23 LEU 66 HD23 LEU 66 2.140 -21.431 4.484 493 H GLN 67 H GLN 67 2.447 -26.097 8.514 494 HA GLN 67 HA GLN 67 0.210 -26.356 10.288 495 HB2 GLN 67 HB2 GLN 67 3.179 -26.730 10.855 496 HB3 GLN 67 HB3 GLN 67 1.855 -27.288 11.878 497 HG2 GLN 67 HG2 GLN 67 1.112 -28.818 10.102 498 HG3 GLN 67 HG3 GLN 67 2.395 -28.234 9.042 499 HE21 GLN 67 HE21 GLN 67 1.892 -30.954 9.948 500 HE22 GLN 67 HE22 GLN 67 3.315 -31.477 10.780 501 H HIS 68 H HIS 68 2.435 -23.782 9.712 502 HA HIS 68 HA HIS 68 2.295 -22.425 12.230 503 HB2 HIS 68 HB2 HIS 68 2.868 -21.431 9.407 504 HB3 HIS 68 HB3 HIS 68 2.898 -20.367 10.809 505 HD1 HIS 68 HD1 HIS 68 5.065 -22.416 8.827 506 HD2 HIS 68 HD2 HIS 68 4.874 -21.298 12.820 507 HE1 HIS 68 HE1 HIS 68 7.385 -22.795 9.734 508 HE2 HIS 68 HE2 HIS 68 7.256 -22.028 12.138 509 H PHE 69 H PHE 69 0.023 -22.758 9.622 510 HA PHE 69 HA PHE 69 -1.777 -20.677 10.518 511 HB2 PHE 69 HB2 PHE 69 -2.146 -22.956 8.499 512 HB3 PHE 69 HB3 PHE 69 -3.365 -21.736 8.844 513 HD1 PHE 69 HD1 PHE 69 0.294 -21.801 7.899 514 HD2 PHE 69 HD2 PHE 69 -3.535 -20.015 7.245 515 HE1 PHE 69 HE1 PHE 69 1.245 -20.375 6.137 516 HE2 PHE 69 HE2 PHE 69 -2.566 -18.599 5.487 517 HZ PHE 69 HZ PHE 69 -0.181 -18.779 4.933 518 H GLY 70 H GLY 70 -2.316 -24.223 10.131 519 HA2 GLY 70 HA2 GLY 70 -3.082 -25.742 11.754 520 HA3 GLY 70 HA3 GLY 70 -3.421 -24.420 12.856 521 H ASP 71 H ASP 71 -5.284 -26.192 12.818 522 HA ASP 71 HA ASP 71 -7.196 -26.353 10.798 523 HB2 ASP 71 HB2 ASP 71 -7.619 -26.621 13.810 524 HB3 ASP 71 HB3 ASP 71 -8.761 -27.150 12.577 525 H ARG 72 H ARG 72 -7.392 -24.381 13.773 526 HA ARG 72 HA ARG 72 -9.843 -23.096 13.356 527 HB2 ARG 72 HB2 ARG 72 -7.397 -22.076 14.882 528 HB3 ARG 72 HB3 ARG 72 -9.013 -21.381 15.019 529 HG2 ARG 72 HG2 ARG 72 -8.275 -24.230 15.766 530 HG3 ARG 72 HG3 ARG 72 -8.400 -22.888 16.907 531 HD2 ARG 72 HD2 ARG 72 -10.809 -22.637 16.333 532 HD3 ARG 72 HD3 ARG 72 -10.676 -23.994 15.208 533 HE ARG 72 HE ARG 72 -10.246 -25.455 17.076 534 HH11 ARG 72 HH11 ARG 72 -11.390 -22.262 18.009 535 HH12 ARG 72 HH12 ARG 72 -11.994 -22.803 19.539 536 HH21 ARG 72 HH21 ARG 72 -10.995 -26.129 19.083 537 HH22 ARG 72 HH22 ARG 72 -11.755 -25.001 20.154 538 H LEU 73 H LEU 73 -6.587 -22.036 12.539 539 HA LEU 73 HA LEU 73 -7.135 -19.392 11.702 540 HB2 LEU 73 HB2 LEU 73 -4.918 -20.544 12.432 541 HB3 LEU 73 HB3 LEU 73 -4.807 -21.137 10.794 542 HG LEU 73 HG LEU 73 -3.331 -19.220 11.187 543 HD11 LEU 73 HD11 LEU 73 -5.529 -18.479 9.267 544 HD12 LEU 73 HD12 LEU 73 -4.146 -19.518 8.933 545 HD13 LEU 73 HD13 LEU 73 -3.890 -17.813 9.294 546 HD21 LEU 73 HD21 LEU 73 -4.173 -16.977 11.618 547 HD22 LEU 73 HD22 LEU 73 -4.576 -18.087 12.921 548 HD23 LEU 73 HD23 LEU 73 -5.819 -17.606 11.764 549 H CYS 74 H CYS 74 -6.529 -22.378 9.807 550 HA CYS 74 HA CYS 74 -6.876 -21.242 7.236 551 HB2 CYS 74 HB2 CYS 74 -7.199 -24.136 8.100 552 HB3 CYS 74 HB3 CYS 74 -6.963 -23.567 6.441 553 HG CYS 74 HG CYS 74 -4.702 -24.449 8.514 554 H ARG 75 H ARG 75 -9.136 -22.761 9.466 555 HA ARG 75 HA ARG 75 -11.424 -22.835 7.787 556 HB2 ARG 75 HB2 ARG 75 -11.078 -22.807 10.808 557 HB3 ARG 75 HB3 ARG 75 -12.674 -22.854 10.070 558 HG2 ARG 75 HG2 ARG 75 -12.241 -25.008 9.077 559 HG3 ARG 75 HG3 ARG 75 -10.536 -24.937 9.533 560 HD2 ARG 75 HD2 ARG 75 -11.907 -26.435 10.998 561 HD3 ARG 75 HD3 ARG 75 -11.082 -25.150 11.883 562 HE ARG 75 HE ARG 75 -13.633 -24.217 11.262 563 HH11 ARG 75 HH11 ARG 75 -12.319 -26.856 13.183 564 HH12 ARG 75 HH12 ARG 75 -13.585 -26.757 14.360 565 HH21 ARG 75 HH21 ARG 75 -15.229 -24.094 12.823 566 HH22 ARG 75 HH22 ARG 75 -15.224 -25.189 14.166 567 H MET 76 H MET 76 -10.195 -20.323 10.050 568 HA MET 76 HA MET 76 -12.292 -18.447 9.756 569 HB2 MET 76 HB2 MET 76 -9.332 -18.012 10.348 570 HB3 MET 76 HB3 MET 76 -10.528 -16.723 10.411 571 HG2 MET 76 HG2 MET 76 -11.709 -17.926 12.216 572 HG3 MET 76 HG3 MET 76 -10.487 -19.193 12.156 573 HE1 MET 76 HE1 MET 76 -9.433 -14.841 13.376 574 HE2 MET 76 HE2 MET 76 -11.050 -15.313 12.850 575 HE3 MET 76 HE3 MET 76 -9.708 -15.323 11.703 576 H LEU 77 H LEU 77 -9.178 -18.745 8.033 577 HA LEU 77 HA LEU 77 -9.440 -16.609 6.242 578 HB2 LEU 77 HB2 LEU 77 -7.769 -19.104 6.338 579 HB3 LEU 77 HB3 LEU 77 -7.834 -18.264 4.799 580 HG LEU 77 HG LEU 77 -6.866 -16.267 5.729 581 HD11 LEU 77 HD11 LEU 77 -7.030 -17.579 8.452 582 HD12 LEU 77 HD12 LEU 77 -7.922 -16.159 7.904 583 HD13 LEU 77 HD13 LEU 77 -6.175 -16.076 8.100 584 HD21 LEU 77 HD21 LEU 77 -5.291 -18.031 5.070 585 HD22 LEU 77 HD22 LEU 77 -5.330 -18.700 6.704 586 HD23 LEU 77 HD23 LEU 77 -4.654 -17.094 6.420 587 H ASP 78 H ASP 78 -10.511 -19.960 5.925 588 HA ASP 78 HA ASP 78 -11.225 -19.833 3.143 589 HB2 ASP 78 HB2 ASP 78 -10.544 -21.925 4.427 590 HB3 ASP 78 HB3 ASP 78 -12.131 -21.906 5.193 591 H GLU 79 H GLU 79 -13.035 -19.720 6.182 592 HA GLU 79 HA GLU 79 -15.624 -19.462 5.059 593 HB2 GLU 79 HB2 GLU 79 -14.499 -18.774 7.781 594 HB3 GLU 79 HB3 GLU 79 -16.192 -18.497 7.368 595 HG2 GLU 79 HG2 GLU 79 -14.806 -21.205 7.265 596 HG3 GLU 79 HG3 GLU 79 -15.804 -20.617 8.587 597 H LYS 80 H LYS 80 -13.249 -17.027 6.155 598 HA LYS 80 HA LYS 80 -14.759 -14.706 5.633 599 HB2 LYS 80 HB2 LYS 80 -11.764 -15.200 5.745 600 HB3 LYS 80 HB3 LYS 80 -12.416 -13.598 5.395 601 HG2 LYS 80 HG2 LYS 80 -12.974 -15.207 7.909 602 HG3 LYS 80 HG3 LYS 80 -11.802 -13.896 7.781 603 HD2 LYS 80 HD2 LYS 80 -14.827 -13.653 7.456 604 HD3 LYS 80 HD3 LYS 80 -13.877 -13.117 8.842 605 HE2 LYS 80 HE2 LYS 80 -12.737 -11.452 7.451 606 HE3 LYS 80 HE3 LYS 80 -13.611 -12.017 6.025 607 HZ1 LYS 80 HZ1 LYS 80 -15.633 -11.230 6.904 608 HZ2 LYS 80 HZ2 LYS 80 -14.502 -9.990 7.129 609 HZ3 LYS 80 HZ3 LYS 80 -14.959 -10.958 8.430 610 H LEU 81 H LEU 81 -12.523 -16.543 3.577 611 HA LEU 81 HA LEU 81 -12.549 -14.925 1.269 612 HB2 LEU 81 HB2 LEU 81 -10.977 -16.868 1.838 613 HB3 LEU 81 HB3 LEU 81 -12.238 -17.966 1.333 614 HG LEU 81 HG LEU 81 -10.322 -17.535 -0.313 615 HD11 LEU 81 HD11 LEU 81 -13.109 -17.065 -1.385 616 HD12 LEU 81 HD12 LEU 81 -12.361 -18.627 -1.055 617 HD13 LEU 81 HD13 LEU 81 -11.704 -17.593 -2.322 618 HD21 LEU 81 HD21 LEU 81 -10.396 -15.529 -1.718 619 HD22 LEU 81 HD22 LEU 81 -10.118 -15.114 -0.028 620 HD23 LEU 81 HD23 LEU 81 -11.715 -14.874 -0.740 621 H LYS 82 H LYS 82 -14.596 -17.628 2.293 622 HA LYS 82 HA LYS 82 -16.356 -17.809 0.096 623 HB2 LYS 82 HB2 LYS 82 -16.243 -19.609 1.693 624 HB3 LYS 82 HB3 LYS 82 -16.625 -18.555 3.037 625 HG2 LYS 82 HG2 LYS 82 -18.679 -19.030 0.868 626 HG3 LYS 82 HG3 LYS 82 -18.414 -20.254 2.111 627 HD2 LYS 82 HD2 LYS 82 -19.301 -17.371 2.576 628 HD3 LYS 82 HD3 LYS 82 -20.324 -18.803 2.686 629 HE2 LYS 82 HE2 LYS 82 -17.940 -18.228 4.486 630 HE3 LYS 82 HE3 LYS 82 -19.623 -17.908 4.905 631 HZ1 LYS 82 HZ1 LYS 82 -18.392 -20.562 4.387 632 HZ2 LYS 82 HZ2 LYS 82 -20.046 -20.313 4.614 633 HZ3 LYS 82 HZ3 LYS 82 -18.962 -19.964 5.864 634 H GLN 83 H GLN 83 -16.427 -15.735 3.002 635 HA GLN 83 HA GLN 83 -19.070 -14.664 2.563 636 HB2 GLN 83 HB2 GLN 83 -16.750 -13.610 4.243 637 HB3 GLN 83 HB3 GLN 83 -18.382 -12.943 4.273 638 HG2 GLN 83 HG2 GLN 83 -19.215 -15.156 5.065 639 HG3 GLN 83 HG3 GLN 83 -17.552 -15.726 5.116 640 HE21 GLN 83 HE21 GLN 83 -19.909 -13.653 6.635 641 HE22 GLN 83 HE22 GLN 83 -18.998 -13.339 8.070 642 H HIS 84 H HIS 84 -15.810 -13.800 1.654 643 HA HIS 84 HA HIS 84 -16.312 -11.227 0.525 644 HB2 HIS 84 HB2 HIS 84 -14.048 -12.100 1.310 645 HB3 HIS 84 HB3 HIS 84 -14.007 -13.146 -0.104 646 HD1 HIS 84 HD1 HIS 84 -13.425 -12.059 -2.345 647 HD2 HIS 84 HD2 HIS 84 -13.726 -9.337 0.778 648 HE1 HIS 84 HE1 HIS 84 -12.483 -9.907 -3.235 649 HE2 HIS 84 HE2 HIS 84 -12.648 -8.285 -1.314 650 H LEU 85 H LEU 85 -16.427 -14.564 -0.726 651 HA LEU 85 HA LEU 85 -16.913 -13.829 -3.487 652 HB2 LEU 85 HB2 LEU 85 -17.323 -16.454 -1.989 653 HB3 LEU 85 HB3 LEU 85 -17.592 -16.270 -3.716 654 HG LEU 85 HG LEU 85 -14.907 -15.911 -2.313 655 HD11 LEU 85 HD11 LEU 85 -15.908 -18.208 -4.037 656 HD12 LEU 85 HD12 LEU 85 -15.614 -18.249 -2.296 657 HD13 LEU 85 HD13 LEU 85 -14.267 -18.024 -3.406 658 HD21 LEU 85 HD21 LEU 85 -13.942 -15.804 -4.580 659 HD22 LEU 85 HD22 LEU 85 -15.078 -14.487 -4.312 660 HD23 LEU 85 HD23 LEU 85 -15.559 -15.877 -5.289 661 H ALA 86 H ALA 86 -18.860 -14.462 -0.630 662 HA ALA 86 HA ALA 86 -21.374 -14.870 -1.979 663 HB1 ALA 86 HB1 ALA 86 -20.806 -14.314 0.967 664 HB2 ALA 86 HB2 ALA 86 -20.855 -15.906 0.201 665 HB3 ALA 86 HB3 ALA 86 -22.323 -14.931 0.291 666 H SER 87 H SER 87 -19.774 -12.123 -0.429 667 HA SER 87 HA SER 87 -22.105 -10.369 -0.966 668 HB2 SER 87 HB2 SER 87 -21.443 -10.646 1.447 669 HB3 SER 87 HB3 SER 87 -19.855 -9.972 1.072 670 HG SER 87 HG SER 87 -22.181 -8.528 0.393 671 H GLY 88 H GLY 88 -18.955 -11.053 -2.131 672 HA2 GLY 88 HA2 GLY 88 -17.775 -9.902 -3.822 673 HA3 GLY 88 HA3 GLY 88 -18.750 -8.464 -3.538 674 H GLY 89 H GLY 89 -18.484 -7.961 -0.954 675 HA2 GLY 89 HA2 GLY 89 -15.898 -8.336 0.209 676 HA3 GLY 89 HA3 GLY 89 -16.121 -6.690 -0.392 677 H ASP 90 H ASP 90 -15.783 -7.111 2.331 678 HA ASP 90 HA ASP 90 -18.448 -7.051 3.566 679 HB2 ASP 90 HB2 ASP 90 -16.558 -8.357 4.629 680 HB3 ASP 90 HB3 ASP 90 -15.723 -6.834 4.933 Start of MODEL 17 1 H ARG 11 H ARG 11 11.588 -11.632 -6.499 2 HA ARG 11 HA ARG 11 13.841 -12.319 -6.357 3 HB2 ARG 11 HB2 ARG 11 13.884 -12.916 -3.975 4 HB3 ARG 11 HB3 ARG 11 12.853 -14.310 -4.281 5 HG2 ARG 11 HG2 ARG 11 14.663 -15.314 -5.679 6 HG3 ARG 11 HG3 ARG 11 15.688 -13.921 -5.318 7 HD2 ARG 11 HD2 ARG 11 14.626 -15.954 -3.321 8 HD3 ARG 11 HD3 ARG 11 16.294 -15.808 -3.883 9 HE ARG 11 HE ARG 11 14.866 -13.955 -2.093 10 HH11 ARG 11 HH11 ARG 11 17.939 -14.980 -3.487 11 HH12 ARG 11 HH12 ARG 11 18.873 -13.966 -2.439 12 HH21 ARG 11 HH21 ARG 11 16.116 -12.643 -0.748 13 HH22 ARG 11 HH22 ARG 11 17.844 -12.640 -0.906 14 HA PRO 12 HA PRO 12 12.097 -16.345 -8.457 15 HB2 PRO 12 HB2 PRO 12 9.185 -16.529 -7.873 16 HB3 PRO 12 HB3 PRO 12 10.439 -17.758 -7.693 17 HG2 PRO 12 HG2 PRO 12 9.271 -16.595 -5.548 18 HG3 PRO 12 HG3 PRO 12 10.976 -17.101 -5.530 19 HD2 PRO 12 HD2 PRO 12 9.825 -14.334 -5.975 20 HD3 PRO 12 HD3 PRO 12 11.179 -14.834 -4.933 21 H LEU 13 H LEU 13 9.597 -13.887 -8.072 22 HA LEU 13 HA LEU 13 9.781 -12.877 -10.753 23 HB2 LEU 13 HB2 LEU 13 7.566 -13.367 -11.530 24 HB3 LEU 13 HB3 LEU 13 8.259 -14.892 -11.020 25 HG LEU 13 HG LEU 13 6.221 -13.296 -9.396 26 HD11 LEU 13 HD11 LEU 13 5.207 -14.119 -11.456 27 HD12 LEU 13 HD12 LEU 13 4.571 -14.975 -10.056 28 HD13 LEU 13 HD13 LEU 13 5.760 -15.760 -11.101 29 HD21 LEU 13 HD21 LEU 13 7.250 -16.123 -8.945 30 HD22 LEU 13 HD22 LEU 13 5.977 -15.321 -8.015 31 HD23 LEU 13 HD23 LEU 13 7.628 -14.710 -7.958 32 HA PRO 14 HA PRO 14 8.794 -9.119 -8.629 33 HB2 PRO 14 HB2 PRO 14 7.025 -7.761 -10.307 34 HB3 PRO 14 HB3 PRO 14 8.770 -7.860 -10.573 35 HG2 PRO 14 HG2 PRO 14 6.567 -9.530 -11.775 36 HG3 PRO 14 HG3 PRO 14 7.971 -8.798 -12.580 37 HD2 PRO 14 HD2 PRO 14 7.963 -11.403 -11.950 38 HD3 PRO 14 HD3 PRO 14 9.450 -10.443 -11.767 39 H VAL 15 H VAL 15 5.737 -10.385 -10.021 40 HA VAL 15 HA VAL 15 4.245 -9.618 -7.613 41 HB VAL 15 HB VAL 15 3.138 -9.000 -9.646 42 HG11 VAL 15 HG11 VAL 15 2.475 -10.550 -11.450 43 HG12 VAL 15 HG12 VAL 15 3.326 -11.865 -10.636 44 HG13 VAL 15 HG13 VAL 15 4.230 -10.484 -11.257 45 HG21 VAL 15 HG21 VAL 15 0.956 -10.132 -9.462 46 HG22 VAL 15 HG22 VAL 15 1.637 -9.818 -7.863 47 HG23 VAL 15 HG23 VAL 15 1.698 -11.447 -8.546 48 H CYS 16 H CYS 16 5.068 -11.041 -6.104 49 HA CYS 16 HA CYS 16 5.184 -13.876 -6.347 50 HB2 CYS 16 HB2 CYS 16 6.489 -12.651 -4.635 51 HB3 CYS 16 HB3 CYS 16 5.004 -12.119 -3.857 52 HG CYS 16 HG CYS 16 6.388 -14.171 -2.390 53 HA PRO 17 HA PRO 17 0.796 -14.776 -6.143 54 HB2 PRO 17 HB2 PRO 17 1.448 -17.500 -5.109 55 HB3 PRO 17 HB3 PRO 17 0.697 -17.026 -6.637 56 HG2 PRO 17 HG2 PRO 17 3.212 -17.969 -6.572 57 HG3 PRO 17 HG3 PRO 17 2.743 -16.677 -7.700 58 HD2 PRO 17 HD2 PRO 17 4.168 -16.432 -5.038 59 HD3 PRO 17 HD3 PRO 17 4.575 -15.685 -6.606 60 H ASN 18 H ASN 18 0.577 -13.243 -4.368 61 HA ASN 18 HA ASN 18 0.103 -14.427 -1.699 62 HB2 ASN 18 HB2 ASN 18 0.611 -11.567 -2.590 63 HB3 ASN 18 HB3 ASN 18 -0.053 -11.940 -1.005 64 HD21 ASN 18 HD21 ASN 18 2.481 -13.833 -2.653 65 HD22 ASN 18 HD22 ASN 18 3.714 -13.471 -1.510 66 HA PRO 19 HA PRO 19 -4.337 -13.939 -2.852 67 HB2 PRO 19 HB2 PRO 19 -5.345 -15.241 -0.693 68 HB3 PRO 19 HB3 PRO 19 -4.600 -16.116 -2.039 69 HG2 PRO 19 HG2 PRO 19 -3.356 -15.303 0.602 70 HG3 PRO 19 HG3 PRO 19 -3.339 -16.897 -0.187 71 HD2 PRO 19 HD2 PRO 19 -1.241 -15.209 -0.391 72 HD3 PRO 19 HD3 PRO 19 -1.723 -16.252 -1.753 73 H LEU 20 H LEU 20 -6.319 -13.307 -1.160 74 HA LEU 20 HA LEU 20 -5.725 -10.753 -0.001 75 HB2 LEU 20 HB2 LEU 20 -8.166 -12.530 0.021 76 HB3 LEU 20 HB3 LEU 20 -8.107 -11.157 1.108 77 HG LEU 20 HG LEU 20 -7.737 -9.668 -0.907 78 HD11 LEU 20 HD11 LEU 20 -8.355 -10.501 -3.123 79 HD12 LEU 20 HD12 LEU 20 -8.467 -12.144 -2.480 80 HD13 LEU 20 HD13 LEU 20 -6.912 -11.305 -2.498 81 HD21 LEU 20 HD21 LEU 20 -10.092 -9.626 -1.568 82 HD22 LEU 20 HD22 LEU 20 -9.929 -9.845 0.174 83 HD23 LEU 20 HD23 LEU 20 -10.339 -11.222 -0.854 84 H PHE 21 H PHE 21 -5.315 -13.913 1.165 85 HA PHE 21 HA PHE 21 -5.813 -13.632 3.926 86 HB2 PHE 21 HB2 PHE 21 -3.827 -15.512 2.593 87 HB3 PHE 21 HB3 PHE 21 -4.515 -15.700 4.206 88 HD1 PHE 21 HD1 PHE 21 -7.406 -14.878 3.271 89 HD2 PHE 21 HD2 PHE 21 -4.555 -17.707 1.836 90 HE1 PHE 21 HE1 PHE 21 -9.218 -16.238 2.351 91 HE2 PHE 21 HE2 PHE 21 -6.385 -19.058 0.911 92 HZ PHE 21 HZ PHE 21 -8.714 -18.324 1.166 93 H VAL 22 H VAL 22 -3.095 -12.534 1.973 94 HA VAL 22 HA VAL 22 -1.170 -12.322 4.043 95 HB VAL 22 HB VAL 22 -0.426 -12.098 1.730 96 HG11 VAL 22 HG11 VAL 22 -2.392 -10.937 0.761 97 HG12 VAL 22 HG12 VAL 22 -0.882 -10.148 0.315 98 HG13 VAL 22 HG13 VAL 22 -1.910 -9.450 1.569 99 HG21 VAL 22 HG21 VAL 22 0.071 -9.502 3.245 100 HG22 VAL 22 HG22 VAL 22 1.071 -10.139 1.936 101 HG23 VAL 22 HG23 VAL 22 0.961 -11.012 3.465 102 H ARG 23 H ARG 23 -3.525 -9.870 2.826 103 HA ARG 23 HA ARG 23 -2.751 -7.908 4.774 104 HB2 ARG 23 HB2 ARG 23 -4.462 -6.496 3.927 105 HB3 ARG 23 HB3 ARG 23 -3.835 -7.354 2.526 106 HG2 ARG 23 HG2 ARG 23 -5.809 -8.768 2.426 107 HG3 ARG 23 HG3 ARG 23 -6.385 -8.157 3.979 108 HD2 ARG 23 HD2 ARG 23 -6.485 -5.843 2.870 109 HD3 ARG 23 HD3 ARG 23 -6.252 -6.685 1.336 110 HE ARG 23 HE ARG 23 -8.370 -7.678 1.549 111 HH11 ARG 23 HH11 ARG 23 -7.751 -5.540 4.290 112 HH12 ARG 23 HH12 ARG 23 -9.428 -5.389 4.693 113 HH21 ARG 23 HH21 ARG 23 -10.567 -7.431 2.099 114 HH22 ARG 23 HH22 ARG 23 -11.018 -6.442 3.451 115 H TRP 24 H TRP 24 -5.165 -10.452 4.618 116 HA TRP 24 HA TRP 24 -6.779 -9.605 6.799 117 HB2 TRP 24 HB2 TRP 24 -6.495 -12.266 5.360 118 HB3 TRP 24 HB3 TRP 24 -7.572 -12.077 6.739 119 HD1 TRP 24 HD1 TRP 24 -8.153 -8.903 5.400 120 HE1 TRP 24 HE1 TRP 24 -10.052 -8.819 3.694 121 HE3 TRP 24 HE3 TRP 24 -8.475 -13.872 4.248 122 HZ2 TRP 24 HZ2 TRP 24 -11.503 -10.571 2.070 123 HZ3 TRP 24 HZ3 TRP 24 -10.156 -14.583 2.607 124 HH2 TRP 24 HH2 TRP 24 -11.644 -12.966 1.535 125 H LEU 25 H LEU 25 -4.080 -11.958 6.614 126 HA LEU 25 HA LEU 25 -4.061 -12.630 9.373 127 HB2 LEU 25 HB2 LEU 25 -1.886 -12.769 7.262 128 HB3 LEU 25 HB3 LEU 25 -1.665 -13.383 8.898 129 HG LEU 25 HG LEU 25 -3.789 -14.378 6.950 130 HD11 LEU 25 HD11 LEU 25 -2.449 -16.422 6.756 131 HD12 LEU 25 HD12 LEU 25 -1.174 -15.693 7.737 132 HD13 LEU 25 HD13 LEU 25 -1.576 -15.012 6.158 133 HD21 LEU 25 HD21 LEU 25 -4.463 -14.588 9.304 134 HD22 LEU 25 HD22 LEU 25 -2.973 -15.466 9.665 135 HD23 LEU 25 HD23 LEU 25 -4.172 -16.163 8.572 136 H THR 26 H THR 26 -2.629 -9.985 7.560 137 HA THR 26 HA THR 26 -0.891 -8.975 9.574 138 HB THR 26 HB THR 26 -2.167 -7.566 7.187 139 HG1 THR 26 HG1 THR 26 -0.677 -9.451 6.907 140 HG21 THR 26 HG21 THR 26 -0.342 -5.919 7.359 141 HG22 THR 26 HG22 THR 26 0.244 -6.703 8.827 142 HG23 THR 26 HG23 THR 26 -1.330 -5.902 8.824 143 H GLU 27 H GLU 27 -4.219 -8.092 8.607 144 HA GLU 27 HA GLU 27 -4.376 -5.876 10.422 145 HB2 GLU 27 HB2 GLU 27 -6.669 -5.585 9.630 146 HB3 GLU 27 HB3 GLU 27 -5.576 -5.852 8.280 147 HG2 GLU 27 HG2 GLU 27 -6.353 -8.290 8.312 148 HG3 GLU 27 HG3 GLU 27 -7.617 -7.775 9.426 149 H TRP 28 H TRP 28 -5.603 -9.231 10.467 150 HA TRP 28 HA TRP 28 -7.164 -8.949 12.861 151 HB2 TRP 28 HB2 TRP 28 -6.064 -11.473 11.564 152 HB3 TRP 28 HB3 TRP 28 -7.266 -11.439 12.854 153 HD1 TRP 28 HD1 TRP 28 -8.820 -8.854 11.223 154 HE1 TRP 28 HE1 TRP 28 -10.378 -9.545 9.305 155 HE3 TRP 28 HE3 TRP 28 -7.082 -13.595 10.430 156 HZ2 TRP 28 HZ2 TRP 28 -10.830 -11.787 7.674 157 HZ3 TRP 28 HZ3 TRP 28 -8.141 -14.948 8.677 158 HH2 TRP 28 HH2 TRP 28 -9.973 -14.070 7.328 159 H ARG 29 H ARG 29 -3.837 -9.913 12.175 160 HA ARG 29 HA ARG 29 -2.934 -10.597 14.754 161 HB2 ARG 29 HB2 ARG 29 -1.552 -10.917 12.776 162 HB3 ARG 29 HB3 ARG 29 -1.580 -9.198 12.421 163 HG2 ARG 29 HG2 ARG 29 -0.265 -8.843 14.572 164 HG3 ARG 29 HG3 ARG 29 -0.083 -10.601 14.654 165 HD2 ARG 29 HD2 ARG 29 1.878 -9.539 13.608 166 HD3 ARG 29 HD3 ARG 29 1.047 -10.593 12.461 167 HE ARG 29 HE ARG 29 -0.085 -8.249 11.877 168 HH11 ARG 29 HH11 ARG 29 3.318 -8.919 12.415 169 HH12 ARG 29 HH12 ARG 29 3.849 -7.717 11.288 170 HH21 ARG 29 HH21 ARG 29 0.634 -6.681 10.425 171 HH22 ARG 29 HH22 ARG 29 2.328 -6.470 10.134 172 H ASP 30 H ASP 30 -3.203 -7.444 13.133 173 HA ASP 30 HA ASP 30 -2.068 -5.907 15.260 174 HB2 ASP 30 HB2 ASP 30 -2.133 -5.256 12.782 175 HB3 ASP 30 HB3 ASP 30 -3.835 -4.871 12.998 176 H GLU 31 H GLU 31 -5.351 -6.856 14.375 177 HA GLU 31 HA GLU 31 -6.719 -5.265 16.335 178 HB2 GLU 31 HB2 GLU 31 -7.624 -7.742 14.797 179 HB3 GLU 31 HB3 GLU 31 -8.674 -6.783 15.840 180 HG2 GLU 31 HG2 GLU 31 -7.301 -5.804 13.316 181 HG3 GLU 31 HG3 GLU 31 -8.991 -6.270 13.453 182 H ALA 32 H ALA 32 -5.245 -8.464 16.285 183 HA ALA 32 HA ALA 32 -6.345 -9.346 18.798 184 HB1 ALA 32 HB1 ALA 32 -4.731 -11.200 18.608 185 HB2 ALA 32 HB2 ALA 32 -3.948 -10.380 17.249 186 HB3 ALA 32 HB3 ALA 32 -5.610 -10.948 17.098 187 H ALA 33 H ALA 33 -3.662 -7.385 17.845 188 HA ALA 33 HA ALA 33 -2.325 -7.433 20.435 189 HB1 ALA 33 HB1 ALA 33 -1.021 -7.173 18.358 190 HB2 ALA 33 HB2 ALA 33 -0.824 -5.766 19.405 191 HB3 ALA 33 HB3 ALA 33 -1.883 -5.677 17.993 192 H SER 34 H SER 34 -4.437 -5.288 18.561 193 HA SER 34 HA SER 34 -4.284 -3.030 20.334 194 HB2 SER 34 HB2 SER 34 -4.703 -2.825 17.881 195 HB3 SER 34 HB3 SER 34 -6.260 -3.632 18.083 196 HG SER 34 HG SER 34 -7.078 -1.827 18.751 197 H ARG 35 H ARG 35 -6.811 -5.440 19.625 198 HA ARG 35 HA ARG 35 -8.612 -4.514 21.708 199 HB2 ARG 35 HB2 ARG 35 -8.803 -6.984 19.921 200 HB3 ARG 35 HB3 ARG 35 -10.096 -6.336 20.931 201 HG2 ARG 35 HG2 ARG 35 -10.224 -4.326 19.535 202 HG3 ARG 35 HG3 ARG 35 -8.846 -4.869 18.570 203 HD2 ARG 35 HD2 ARG 35 -10.177 -6.836 17.819 204 HD3 ARG 35 HD3 ARG 35 -11.551 -6.254 18.770 205 HE ARG 35 HE ARG 35 -10.478 -4.420 16.756 206 HH11 ARG 35 HH11 ARG 35 -12.949 -6.824 17.455 207 HH12 ARG 35 HH12 ARG 35 -14.002 -6.272 16.194 208 HH21 ARG 35 HH21 ARG 35 -11.855 -3.721 15.114 209 HH22 ARG 35 HH22 ARG 35 -13.383 -4.503 14.866 210 H GLY 36 H GLY 36 -5.848 -6.393 21.760 211 HA2 GLY 36 HA2 GLY 36 -4.838 -7.610 23.416 212 HA3 GLY 36 HA3 GLY 36 -6.168 -7.171 24.475 213 H ARG 37 H ARG 37 -6.283 -9.014 21.445 214 HA ARG 37 HA ARG 37 -7.761 -11.184 22.731 215 HB2 ARG 37 HB2 ARG 37 -7.031 -10.778 19.803 216 HB3 ARG 37 HB3 ARG 37 -8.145 -11.997 20.422 217 HG2 ARG 37 HG2 ARG 37 -8.545 -8.977 20.551 218 HG3 ARG 37 HG3 ARG 37 -9.352 -10.086 19.435 219 HD2 ARG 37 HD2 ARG 37 -10.473 -11.200 21.292 220 HD3 ARG 37 HD3 ARG 37 -9.590 -10.214 22.463 221 HE ARG 37 HE ARG 37 -11.029 -8.526 20.721 222 HH11 ARG 37 HH11 ARG 37 -11.661 -10.814 23.319 223 HH12 ARG 37 HH12 ARG 37 -13.122 -10.024 23.814 224 HH21 ARG 37 HH21 ARG 37 -12.918 -7.486 21.415 225 HH22 ARG 37 HH22 ARG 37 -13.830 -8.128 22.740 226 H HIS 38 H HIS 38 -4.545 -10.523 21.781 227 HA HIS 38 HA HIS 38 -2.583 -11.530 22.167 228 HB2 HIS 38 HB2 HIS 38 -4.175 -13.743 23.512 229 HB3 HIS 38 HB3 HIS 38 -2.423 -13.575 23.588 230 HD1 HIS 38 HD1 HIS 38 -5.582 -12.242 25.037 231 HD2 HIS 38 HD2 HIS 38 -1.506 -11.434 25.247 232 HE1 HIS 38 HE1 HIS 38 -5.300 -10.741 27.033 233 HE2 HIS 38 HE2 HIS 38 -2.829 -10.253 27.138 234 H THR 39 H THR 39 -4.909 -13.009 20.183 235 HA THR 39 HA THR 39 -3.459 -15.315 19.295 236 HB THR 39 HB THR 39 -5.204 -15.231 17.375 237 HG1 THR 39 HG1 THR 39 -6.764 -13.706 17.490 238 HG21 THR 39 HG21 THR 39 -7.065 -15.962 18.819 239 HG22 THR 39 HG22 THR 39 -6.269 -15.275 20.236 240 HG23 THR 39 HG23 THR 39 -5.541 -16.646 19.394 241 H ARG 40 H ARG 40 -2.572 -12.218 18.906 242 HA ARG 40 HA ARG 40 -2.174 -11.736 16.206 243 HB2 ARG 40 HB2 ARG 40 -0.517 -10.083 16.849 244 HB3 ARG 40 HB3 ARG 40 -1.860 -10.033 17.986 245 HG2 ARG 40 HG2 ARG 40 -0.516 -11.231 19.662 246 HG3 ARG 40 HG3 ARG 40 0.819 -11.370 18.513 247 HD2 ARG 40 HD2 ARG 40 0.874 -8.850 18.397 248 HD3 ARG 40 HD3 ARG 40 -0.299 -8.818 19.714 249 HE ARG 40 HE ARG 40 1.544 -10.192 20.933 250 HH11 ARG 40 HH11 ARG 40 2.137 -7.521 18.707 251 HH12 ARG 40 HH12 ARG 40 3.617 -7.053 19.480 252 HH21 ARG 40 HH21 ARG 40 3.501 -9.550 21.931 253 HH22 ARG 40 HH22 ARG 40 4.390 -8.205 21.296 254 H PHE 41 H PHE 41 -0.414 -13.832 18.366 255 HA PHE 41 HA PHE 41 2.000 -14.053 16.858 256 HB2 PHE 41 HB2 PHE 41 0.853 -15.830 19.051 257 HB3 PHE 41 HB3 PHE 41 2.478 -15.996 18.383 258 HD1 PHE 41 HD1 PHE 41 4.098 -14.045 18.598 259 HD2 PHE 41 HD2 PHE 41 0.427 -14.221 20.783 260 HE1 PHE 41 HE1 PHE 41 4.941 -12.347 20.157 261 HE2 PHE 41 HE2 PHE 41 1.286 -12.523 22.343 262 HZ PHE 41 HZ PHE 41 3.539 -11.583 22.027 263 H VAL 42 H VAL 42 -1.003 -16.044 16.968 264 HA VAL 42 HA VAL 42 0.074 -18.064 15.221 265 HB VAL 42 HB VAL 42 -1.832 -18.503 16.844 266 HG11 VAL 42 HG11 VAL 42 -4.163 -18.079 16.140 267 HG12 VAL 42 HG12 VAL 42 -3.577 -17.140 14.765 268 HG13 VAL 42 HG13 VAL 42 -3.279 -16.572 16.406 269 HG21 VAL 42 HG21 VAL 42 -1.219 -20.144 15.138 270 HG22 VAL 42 HG22 VAL 42 -2.258 -19.344 13.957 271 HG23 VAL 42 HG23 VAL 42 -2.973 -20.138 15.361 272 H PHE 43 H PHE 43 -1.855 -15.137 14.788 273 HA PHE 43 HA PHE 43 -2.272 -15.369 11.965 274 HB2 PHE 43 HB2 PHE 43 -2.361 -12.991 13.865 275 HB3 PHE 43 HB3 PHE 43 -2.757 -12.856 12.166 276 HD1 PHE 43 HD1 PHE 43 -4.461 -14.998 11.476 277 HD2 PHE 43 HD2 PHE 43 -4.304 -12.893 15.191 278 HE1 PHE 43 HE1 PHE 43 -6.800 -15.601 11.916 279 HE2 PHE 43 HE2 PHE 43 -6.653 -13.497 15.623 280 HZ PHE 43 HZ PHE 43 -7.901 -14.854 13.986 281 H GLN 44 H GLN 44 0.368 -14.192 13.946 282 HA GLN 44 HA GLN 44 1.770 -12.642 11.974 283 HB2 GLN 44 HB2 GLN 44 1.981 -12.257 14.420 284 HB3 GLN 44 HB3 GLN 44 2.733 -13.835 14.611 285 HG2 GLN 44 HG2 GLN 44 4.639 -13.051 13.207 286 HG3 GLN 44 HG3 GLN 44 3.882 -11.459 13.116 287 HE21 GLN 44 HE21 GLN 44 6.480 -12.140 14.205 288 HE22 GLN 44 HE22 GLN 44 6.472 -11.661 15.866 289 H LYS 45 H LYS 45 2.256 -15.872 13.403 290 HA LYS 45 HA LYS 45 4.591 -16.526 11.879 291 HB2 LYS 45 HB2 LYS 45 4.383 -18.755 12.840 292 HB3 LYS 45 HB3 LYS 45 4.090 -17.547 14.085 293 HG2 LYS 45 HG2 LYS 45 1.629 -17.923 13.816 294 HG3 LYS 45 HG3 LYS 45 1.976 -19.205 12.652 295 HD2 LYS 45 HD2 LYS 45 2.794 -19.174 15.590 296 HD3 LYS 45 HD3 LYS 45 1.475 -20.121 14.895 297 HE2 LYS 45 HE2 LYS 45 3.110 -21.386 13.531 298 HE3 LYS 45 HE3 LYS 45 4.425 -20.428 14.217 299 HZ1 LYS 45 HZ1 LYS 45 3.846 -21.306 16.400 300 HZ2 LYS 45 HZ2 LYS 45 4.238 -22.537 15.310 301 HZ3 LYS 45 HZ3 LYS 45 2.623 -22.246 15.707 302 H ALA 46 H ALA 46 1.145 -17.037 11.467 303 HA ALA 46 HA ALA 46 1.204 -18.741 9.191 304 HB1 ALA 46 HB1 ALA 46 -0.917 -16.752 10.081 305 HB2 ALA 46 HB2 ALA 46 -0.803 -18.438 10.588 306 HB3 ALA 46 HB3 ALA 46 -1.149 -18.051 8.902 307 H LEU 47 H LEU 47 1.057 -15.210 9.607 308 HA LEU 47 HA LEU 47 0.887 -14.387 6.924 309 HB2 LEU 47 HB2 LEU 47 0.481 -12.854 8.781 310 HB3 LEU 47 HB3 LEU 47 2.132 -13.030 9.345 311 HG LEU 47 HG LEU 47 2.953 -11.858 7.299 312 HD11 LEU 47 HD11 LEU 47 0.019 -11.449 6.644 313 HD12 LEU 47 HD12 LEU 47 1.176 -12.427 5.732 314 HD13 LEU 47 HD13 LEU 47 1.381 -10.681 5.825 315 HD21 LEU 47 HD21 LEU 47 2.571 -10.569 9.359 316 HD22 LEU 47 HD22 LEU 47 0.894 -10.273 8.887 317 HD23 LEU 47 HD23 LEU 47 2.213 -9.592 7.932 318 H ARG 48 H ARG 48 3.741 -14.855 8.994 319 HA ARG 48 HA ARG 48 5.746 -14.040 7.200 320 HB2 ARG 48 HB2 ARG 48 6.171 -14.205 9.577 321 HB3 ARG 48 HB3 ARG 48 5.813 -15.926 9.587 322 HG2 ARG 48 HG2 ARG 48 7.866 -16.378 8.291 323 HG3 ARG 48 HG3 ARG 48 8.205 -14.646 8.204 324 HD2 ARG 48 HD2 ARG 48 8.543 -14.526 10.608 325 HD3 ARG 48 HD3 ARG 48 7.996 -16.192 10.815 326 HE ARG 48 HE ARG 48 10.042 -16.973 10.080 327 HH11 ARG 48 HH11 ARG 48 9.985 -13.484 9.569 328 HH12 ARG 48 HH12 ARG 48 11.707 -13.366 9.413 329 HH21 ARG 48 HH21 ARG 48 12.296 -16.791 9.878 330 HH22 ARG 48 HH22 ARG 48 13.011 -15.239 9.576 331 H SER 49 H SER 49 4.515 -17.302 7.961 332 HA SER 49 HA SER 49 6.206 -18.701 6.158 333 HB2 SER 49 HB2 SER 49 4.662 -20.633 6.524 334 HB3 SER 49 HB3 SER 49 5.158 -19.871 8.031 335 HG SER 49 HG SER 49 3.171 -19.043 8.291 336 H LEU 50 H LEU 50 3.042 -17.158 5.762 337 HA LEU 50 HA LEU 50 2.349 -18.271 3.230 338 HB2 LEU 50 HB2 LEU 50 0.781 -17.116 4.851 339 HB3 LEU 50 HB3 LEU 50 1.473 -15.581 4.375 340 HG LEU 50 HG LEU 50 0.220 -17.336 2.237 341 HD11 LEU 50 HD11 LEU 50 -1.990 -16.373 2.634 342 HD12 LEU 50 HD12 LEU 50 -1.399 -15.537 4.072 343 HD13 LEU 50 HD13 LEU 50 -1.458 -17.302 4.036 344 HD21 LEU 50 HD21 LEU 50 0.337 -14.306 2.551 345 HD22 LEU 50 HD22 LEU 50 -0.352 -15.185 1.181 346 HD23 LEU 50 HD23 LEU 50 1.376 -15.279 1.507 347 H GLN 51 H GLN 51 4.228 -15.426 4.196 348 HA GLN 51 HA GLN 51 4.628 -14.325 1.575 349 HB2 GLN 51 HB2 GLN 51 6.336 -13.980 4.078 350 HB3 GLN 51 HB3 GLN 51 6.400 -12.961 2.639 351 HG2 GLN 51 HG2 GLN 51 4.091 -13.214 4.591 352 HG3 GLN 51 HG3 GLN 51 5.172 -11.835 4.403 353 HE21 GLN 51 HE21 GLN 51 2.519 -13.620 2.995 354 HE22 GLN 51 HE22 GLN 51 2.036 -12.413 1.855 355 H ARG 52 H ARG 52 6.216 -16.749 3.495 356 HA ARG 52 HA ARG 52 8.454 -17.111 1.634 357 HB2 ARG 52 HB2 ARG 52 7.754 -18.454 4.286 358 HB3 ARG 52 HB3 ARG 52 9.202 -18.810 3.335 359 HG2 ARG 52 HG2 ARG 52 9.931 -16.457 3.582 360 HG3 ARG 52 HG3 ARG 52 8.497 -16.115 4.552 361 HD2 ARG 52 HD2 ARG 52 9.263 -17.650 6.286 362 HD3 ARG 52 HD3 ARG 52 10.642 -18.139 5.291 363 HE ARG 52 HE ARG 52 10.293 -15.356 6.259 364 HH11 ARG 52 HH11 ARG 52 12.332 -18.222 5.985 365 HH12 ARG 52 HH12 ARG 52 13.761 -17.390 6.509 366 HH21 ARG 52 HH21 ARG 52 12.172 -14.298 6.946 367 HH22 ARG 52 HH22 ARG 52 13.669 -15.172 7.056 368 H TYR 53 H TYR 53 5.268 -18.140 1.765 369 HA TYR 53 HA TYR 53 5.788 -20.792 0.550 370 HB2 TYR 53 HB2 TYR 53 4.124 -20.364 2.576 371 HB3 TYR 53 HB3 TYR 53 3.025 -19.781 1.337 372 HD1 TYR 53 HD1 TYR 53 5.281 -22.718 1.954 373 HD2 TYR 53 HD2 TYR 53 1.476 -21.394 0.541 374 HE1 TYR 53 HE1 TYR 53 4.604 -25.054 1.613 375 HE2 TYR 53 HE2 TYR 53 0.804 -23.730 0.187 376 HH TYR 53 HH TYR 53 1.849 -25.918 -0.177 377 HA PRO 54 HA PRO 54 4.837 -18.240 -3.190 378 HB2 PRO 54 HB2 PRO 54 6.232 -19.669 -4.998 379 HB3 PRO 54 HB3 PRO 54 7.055 -18.676 -3.783 380 HG2 PRO 54 HG2 PRO 54 6.504 -21.655 -3.728 381 HG3 PRO 54 HG3 PRO 54 8.036 -20.803 -3.423 382 HD2 PRO 54 HD2 PRO 54 6.395 -21.624 -1.395 383 HD3 PRO 54 HD3 PRO 54 7.410 -20.170 -1.271 384 H LEU 55 H LEU 55 3.581 -21.168 -2.228 385 HA LEU 55 HA LEU 55 2.151 -21.878 -4.657 386 HB2 LEU 55 HB2 LEU 55 2.900 -23.507 -2.815 387 HB3 LEU 55 HB3 LEU 55 1.640 -22.841 -1.814 388 HG LEU 55 HG LEU 55 1.151 -25.084 -2.882 389 HD11 LEU 55 HD11 LEU 55 -1.184 -24.653 -3.397 390 HD12 LEU 55 HD12 LEU 55 -0.867 -22.919 -3.510 391 HD13 LEU 55 HD13 LEU 55 -0.671 -23.756 -1.968 392 HD21 LEU 55 HD21 LEU 55 2.144 -24.680 -5.083 393 HD22 LEU 55 HD22 LEU 55 0.886 -23.496 -5.453 394 HD23 LEU 55 HD23 LEU 55 0.462 -25.194 -5.220 395 HA PRO 56 HA PRO 56 -0.827 -18.529 -3.778 396 HB2 PRO 56 HB2 PRO 56 -2.530 -18.966 -5.901 397 HB3 PRO 56 HB3 PRO 56 -0.967 -18.154 -6.062 398 HG2 PRO 56 HG2 PRO 56 -1.680 -21.030 -6.615 399 HG3 PRO 56 HG3 PRO 56 -0.691 -19.922 -7.588 400 HD2 PRO 56 HD2 PRO 56 0.426 -21.792 -5.966 401 HD3 PRO 56 HD3 PRO 56 1.193 -20.209 -6.236 402 H LEU 57 H LEU 57 -1.604 -19.385 -1.825 403 HA LEU 57 HA LEU 57 -3.671 -21.368 -1.627 404 HB2 LEU 57 HB2 LEU 57 -3.019 -19.154 0.374 405 HB3 LEU 57 HB3 LEU 57 -3.880 -20.651 0.708 406 HG LEU 57 HG LEU 57 -0.927 -20.449 -0.030 407 HD11 LEU 57 HD11 LEU 57 -0.466 -21.041 2.307 408 HD12 LEU 57 HD12 LEU 57 -2.192 -20.979 2.679 409 HD13 LEU 57 HD13 LEU 57 -1.338 -19.512 2.188 410 HD21 LEU 57 HD21 LEU 57 -1.915 -22.580 -0.770 411 HD22 LEU 57 HD22 LEU 57 -2.508 -22.885 0.865 412 HD23 LEU 57 HD23 LEU 57 -0.773 -22.821 0.551 413 H ARG 58 H ARG 58 -5.209 -20.611 -3.276 414 HA ARG 58 HA ARG 58 -6.489 -18.003 -2.963 415 HB2 ARG 58 HB2 ARG 58 -7.108 -20.301 -4.864 416 HB3 ARG 58 HB3 ARG 58 -7.909 -18.731 -4.901 417 HG2 ARG 58 HG2 ARG 58 -5.750 -17.639 -5.431 418 HG3 ARG 58 HG3 ARG 58 -4.941 -19.210 -5.378 419 HD2 ARG 58 HD2 ARG 58 -6.333 -19.990 -7.268 420 HD3 ARG 58 HD3 ARG 58 -7.150 -18.424 -7.316 421 HE ARG 58 HE ARG 58 -4.740 -17.548 -7.712 422 HH11 ARG 58 HH11 ARG 58 -5.942 -20.603 -8.988 423 HH12 ARG 58 HH12 ARG 58 -4.975 -20.517 -10.421 424 HH21 ARG 58 HH21 ARG 58 -3.479 -17.457 -9.594 425 HH22 ARG 58 HH22 ARG 58 -3.579 -18.727 -10.767 426 H SER 59 H SER 59 -7.034 -21.256 -1.969 427 HA SER 59 HA SER 59 -9.573 -20.528 -0.648 428 HB2 SER 59 HB2 SER 59 -9.834 -22.493 -2.098 429 HB3 SER 59 HB3 SER 59 -8.430 -23.266 -1.363 430 HG SER 59 HG SER 59 -10.760 -22.546 0.099 431 H GLY 60 H GLY 60 -9.646 -20.691 1.579 432 HA2 GLY 60 HA2 GLY 60 -7.143 -20.584 3.015 433 HA3 GLY 60 HA3 GLY 60 -8.755 -20.397 3.686 434 H LYS 61 H LYS 61 -9.366 -23.116 2.271 435 HA LYS 61 HA LYS 61 -8.791 -24.890 4.422 436 HB2 LYS 61 HB2 LYS 61 -10.728 -25.252 2.950 437 HB3 LYS 61 HB3 LYS 61 -9.671 -25.440 1.556 438 HG2 LYS 61 HG2 LYS 61 -8.783 -27.529 2.456 439 HG3 LYS 61 HG3 LYS 61 -9.735 -27.333 3.932 440 HD2 LYS 61 HD2 LYS 61 -11.818 -27.555 2.647 441 HD3 LYS 61 HD3 LYS 61 -10.908 -27.635 1.134 442 HE2 LYS 61 HE2 LYS 61 -9.890 -29.763 1.848 443 HE3 LYS 61 HE3 LYS 61 -10.745 -29.670 3.389 444 HZ1 LYS 61 HZ1 LYS 61 -11.870 -31.134 1.878 445 HZ2 LYS 61 HZ2 LYS 61 -11.998 -29.914 0.712 446 HZ3 LYS 61 HZ3 LYS 61 -12.836 -29.779 2.171 447 H GLU 62 H GLU 62 -7.015 -23.878 1.608 448 HA GLU 62 HA GLU 62 -5.065 -25.989 1.556 449 HB2 GLU 62 HB2 GLU 62 -4.849 -23.149 0.490 450 HB3 GLU 62 HB3 GLU 62 -3.806 -24.507 0.059 451 HG2 GLU 62 HG2 GLU 62 -5.794 -25.654 -0.926 452 HG3 GLU 62 HG3 GLU 62 -6.758 -24.221 -0.566 453 H ALA 63 H ALA 63 -5.563 -23.275 3.608 454 HA ALA 63 HA ALA 63 -2.879 -22.888 4.546 455 HB1 ALA 63 HB1 ALA 63 -3.956 -21.668 6.423 456 HB2 ALA 63 HB2 ALA 63 -5.535 -22.227 5.872 457 HB3 ALA 63 HB3 ALA 63 -4.578 -21.150 4.856 458 H LYS 64 H LYS 64 -5.214 -25.370 5.047 459 HA LYS 64 HA LYS 64 -4.518 -26.335 7.615 460 HB2 LYS 64 HB2 LYS 64 -6.559 -27.095 6.587 461 HB3 LYS 64 HB3 LYS 64 -5.705 -27.691 5.175 462 HG2 LYS 64 HG2 LYS 64 -6.491 -29.537 6.568 463 HG3 LYS 64 HG3 LYS 64 -4.727 -29.513 6.489 464 HD2 LYS 64 HD2 LYS 64 -4.754 -28.332 8.753 465 HD3 LYS 64 HD3 LYS 64 -6.494 -28.638 8.813 466 HE2 LYS 64 HE2 LYS 64 -6.101 -31.055 8.736 467 HE3 LYS 64 HE3 LYS 64 -4.364 -30.796 8.552 468 HZ1 LYS 64 HZ1 LYS 64 -4.368 -29.755 10.751 469 HZ2 LYS 64 HZ2 LYS 64 -4.878 -31.362 10.792 470 HZ3 LYS 64 HZ3 LYS 64 -6.009 -30.114 10.918 471 H ILE 65 H ILE 65 -3.068 -26.912 4.389 472 HA ILE 65 HA ILE 65 -1.413 -29.108 5.219 473 HB ILE 65 HB ILE 65 -0.300 -29.020 3.081 474 HG12 ILE 65 HG12 ILE 65 -1.550 -26.267 2.705 475 HG13 ILE 65 HG13 ILE 65 0.160 -26.641 2.809 476 HG21 ILE 65 HG21 ILE 65 -2.586 -29.956 3.105 477 HG22 ILE 65 HG22 ILE 65 -2.233 -29.210 1.547 478 HG23 ILE 65 HG23 ILE 65 -3.257 -28.367 2.715 479 HD11 ILE 65 HD11 ILE 65 -1.714 -27.342 0.553 480 HD12 ILE 65 HD12 ILE 65 -0.027 -27.854 0.648 481 HD13 ILE 65 HD13 ILE 65 -0.424 -26.139 0.541 482 H LEU 66 H LEU 66 -1.183 -25.762 5.762 483 HA LEU 66 HA LEU 66 1.567 -26.100 6.786 484 HB2 LEU 66 HB2 LEU 66 0.035 -23.477 6.567 485 HB3 LEU 66 HB3 LEU 66 1.732 -23.704 6.959 486 HG LEU 66 HG LEU 66 1.774 -24.783 4.482 487 HD11 LEU 66 HD11 LEU 66 0.320 -23.569 2.925 488 HD12 LEU 66 HD12 LEU 66 -0.517 -22.801 4.277 489 HD13 LEU 66 HD13 LEU 66 -0.622 -24.551 4.049 490 HD21 LEU 66 HD21 LEU 66 2.537 -22.624 3.616 491 HD22 LEU 66 HD22 LEU 66 3.182 -22.942 5.225 492 HD23 LEU 66 HD23 LEU 66 1.848 -21.804 5.021 493 H GLN 67 H GLN 67 1.459 -26.887 8.795 494 HA GLN 67 HA GLN 67 -0.711 -26.604 10.625 495 HB2 GLN 67 HB2 GLN 67 2.161 -27.506 11.082 496 HB3 GLN 67 HB3 GLN 67 0.844 -27.709 12.239 497 HG2 GLN 67 HG2 GLN 67 -0.306 -29.229 10.755 498 HG3 GLN 67 HG3 GLN 67 0.841 -28.911 9.456 499 HE21 GLN 67 HE21 GLN 67 1.276 -31.148 9.303 500 HE22 GLN 67 HE22 GLN 67 2.270 -31.968 10.453 501 H HIS 68 H HIS 68 1.869 -24.513 9.813 502 HA HIS 68 HA HIS 68 2.289 -23.024 12.178 503 HB2 HIS 68 HB2 HIS 68 2.416 -22.078 9.279 504 HB3 HIS 68 HB3 HIS 68 3.085 -21.204 10.658 505 HD1 HIS 68 HD1 HIS 68 4.651 -22.471 8.109 506 HD2 HIS 68 HD2 HIS 68 4.576 -23.910 12.008 507 HE1 HIS 68 HE1 HIS 68 6.754 -23.819 8.369 508 HE2 HIS 68 HE2 HIS 68 6.569 -24.846 10.660 509 H PHE 69 H PHE 69 -0.249 -22.910 9.750 510 HA PHE 69 HA PHE 69 -1.549 -20.539 10.818 511 HB2 PHE 69 HB2 PHE 69 -2.531 -22.611 8.791 512 HB3 PHE 69 HB3 PHE 69 -3.389 -21.151 9.215 513 HD1 PHE 69 HD1 PHE 69 0.200 -21.849 8.238 514 HD2 PHE 69 HD2 PHE 69 -3.349 -19.617 7.433 515 HE1 PHE 69 HE1 PHE 69 1.345 -20.651 6.422 516 HE2 PHE 69 HE2 PHE 69 -2.189 -18.430 5.625 517 HZ PHE 69 HZ PHE 69 0.154 -18.950 5.114 518 H GLY 70 H GLY 70 -2.286 -24.034 10.651 519 HA2 GLY 70 HA2 GLY 70 -3.165 -25.391 12.360 520 HA3 GLY 70 HA3 GLY 70 -3.669 -23.961 13.248 521 H ASP 71 H ASP 71 -5.409 -26.084 12.939 522 HA ASP 71 HA ASP 71 -7.090 -26.121 10.694 523 HB2 ASP 71 HB2 ASP 71 -7.622 -26.890 13.592 524 HB3 ASP 71 HB3 ASP 71 -8.814 -27.149 12.323 525 H ARG 72 H ARG 72 -7.382 -24.234 13.680 526 HA ARG 72 HA ARG 72 -10.032 -23.264 13.238 527 HB2 ARG 72 HB2 ARG 72 -7.811 -22.183 15.026 528 HB3 ARG 72 HB3 ARG 72 -9.502 -21.683 15.110 529 HG2 ARG 72 HG2 ARG 72 -10.149 -23.981 15.746 530 HG3 ARG 72 HG3 ARG 72 -8.458 -24.488 15.642 531 HD2 ARG 72 HD2 ARG 72 -9.179 -24.065 17.976 532 HD3 ARG 72 HD3 ARG 72 -7.865 -22.990 17.485 533 HE ARG 72 HE ARG 72 -10.273 -21.684 16.964 534 HH11 ARG 72 HH11 ARG 72 -8.557 -22.794 19.820 535 HH12 ARG 72 HH12 ARG 72 -9.168 -21.518 20.818 536 HH21 ARG 72 HH21 ARG 72 -11.053 -20.031 18.265 537 HH22 ARG 72 HH22 ARG 72 -10.593 -19.946 19.932 538 H LEU 73 H LEU 73 -6.821 -21.886 12.690 539 HA LEU 73 HA LEU 73 -7.714 -19.348 11.701 540 HB2 LEU 73 HB2 LEU 73 -5.513 -19.813 12.812 541 HB3 LEU 73 HB3 LEU 73 -5.012 -20.728 11.406 542 HG LEU 73 HG LEU 73 -5.728 -17.797 11.147 543 HD11 LEU 73 HD11 LEU 73 -4.068 -17.907 12.944 544 HD12 LEU 73 HD12 LEU 73 -3.387 -17.184 11.491 545 HD13 LEU 73 HD13 LEU 73 -2.994 -18.856 11.911 546 HD21 LEU 73 HD21 LEU 73 -3.902 -19.584 9.540 547 HD22 LEU 73 HD22 LEU 73 -4.130 -17.861 9.268 548 HD23 LEU 73 HD23 LEU 73 -5.479 -18.967 9.045 549 H CYS 74 H CYS 74 -6.715 -22.403 10.221 550 HA CYS 74 HA CYS 74 -6.814 -21.748 7.485 551 HB2 CYS 74 HB2 CYS 74 -5.874 -23.869 8.143 552 HB3 CYS 74 HB3 CYS 74 -7.352 -24.351 8.967 553 HG CYS 74 HG CYS 74 -8.377 -23.899 6.016 554 H ARG 75 H ARG 75 -9.309 -22.729 9.761 555 HA ARG 75 HA ARG 75 -11.479 -22.947 7.931 556 HB2 ARG 75 HB2 ARG 75 -11.315 -23.959 10.293 557 HB3 ARG 75 HB3 ARG 75 -11.681 -22.359 10.922 558 HG2 ARG 75 HG2 ARG 75 -13.687 -23.754 10.881 559 HG3 ARG 75 HG3 ARG 75 -13.867 -22.395 9.766 560 HD2 ARG 75 HD2 ARG 75 -13.460 -23.818 7.861 561 HD3 ARG 75 HD3 ARG 75 -12.992 -25.172 8.896 562 HE ARG 75 HE ARG 75 -15.685 -24.261 9.365 563 HH11 ARG 75 HH11 ARG 75 -13.757 -26.308 7.265 564 HH12 ARG 75 HH12 ARG 75 -15.063 -27.393 6.912 565 HH21 ARG 75 HH21 ARG 75 -17.407 -25.679 8.892 566 HH22 ARG 75 HH22 ARG 75 -17.146 -27.026 7.832 567 H MET 76 H MET 76 -10.278 -20.349 10.058 568 HA MET 76 HA MET 76 -12.215 -18.378 9.584 569 HB2 MET 76 HB2 MET 76 -9.255 -18.123 10.254 570 HB3 MET 76 HB3 MET 76 -10.307 -16.724 10.124 571 HG2 MET 76 HG2 MET 76 -11.092 -18.915 12.018 572 HG3 MET 76 HG3 MET 76 -9.786 -17.825 12.460 573 HE1 MET 76 HE1 MET 76 -14.213 -16.520 11.941 574 HE2 MET 76 HE2 MET 76 -13.678 -18.199 11.964 575 HE3 MET 76 HE3 MET 76 -13.311 -17.176 10.574 576 H LEU 77 H LEU 77 -9.090 -18.869 7.909 577 HA LEU 77 HA LEU 77 -9.331 -16.833 5.991 578 HB2 LEU 77 HB2 LEU 77 -7.635 -19.297 6.271 579 HB3 LEU 77 HB3 LEU 77 -7.682 -18.546 4.686 580 HG LEU 77 HG LEU 77 -6.774 -16.466 5.556 581 HD11 LEU 77 HD11 LEU 77 -7.823 -16.374 7.745 582 HD12 LEU 77 HD12 LEU 77 -6.080 -16.184 7.894 583 HD13 LEU 77 HD13 LEU 77 -6.836 -17.724 8.309 584 HD21 LEU 77 HD21 LEU 77 -5.164 -18.196 4.907 585 HD22 LEU 77 HD22 LEU 77 -5.159 -18.839 6.554 586 HD23 LEU 77 HD23 LEU 77 -4.536 -17.217 6.234 587 H ASP 78 H ASP 78 -10.381 -20.225 5.867 588 HA ASP 78 HA ASP 78 -11.024 -20.305 3.092 589 HB2 ASP 78 HB2 ASP 78 -10.623 -22.344 4.503 590 HB3 ASP 78 HB3 ASP 78 -12.158 -22.050 5.326 591 H GLU 79 H GLU 79 -12.955 -19.806 5.994 592 HA GLU 79 HA GLU 79 -15.474 -19.540 4.700 593 HB2 GLU 79 HB2 GLU 79 -14.497 -18.718 7.458 594 HB3 GLU 79 HB3 GLU 79 -16.176 -18.594 6.943 595 HG2 GLU 79 HG2 GLU 79 -16.160 -21.067 6.526 596 HG3 GLU 79 HG3 GLU 79 -14.542 -21.130 7.222 597 H LYS 80 H LYS 80 -13.073 -17.193 5.846 598 HA LYS 80 HA LYS 80 -14.603 -14.848 5.376 599 HB2 LYS 80 HB2 LYS 80 -11.642 -15.309 5.831 600 HB3 LYS 80 HB3 LYS 80 -12.267 -13.695 5.486 601 HG2 LYS 80 HG2 LYS 80 -13.201 -15.441 7.796 602 HG3 LYS 80 HG3 LYS 80 -11.976 -14.181 7.933 603 HD2 LYS 80 HD2 LYS 80 -14.884 -13.751 7.122 604 HD3 LYS 80 HD3 LYS 80 -14.195 -13.402 8.712 605 HE2 LYS 80 HE2 LYS 80 -12.685 -11.727 7.685 606 HE3 LYS 80 HE3 LYS 80 -13.384 -12.069 6.099 607 HZ1 LYS 80 HZ1 LYS 80 -14.910 -11.053 8.424 608 HZ2 LYS 80 HZ2 LYS 80 -15.480 -11.233 6.839 609 HZ3 LYS 80 HZ3 LYS 80 -14.289 -10.086 7.187 610 H LEU 81 H LEU 81 -12.294 -16.630 3.353 611 HA LEU 81 HA LEU 81 -12.252 -14.855 1.129 612 HB2 LEU 81 HB2 LEU 81 -10.742 -16.887 1.583 613 HB3 LEU 81 HB3 LEU 81 -12.042 -17.894 0.996 614 HG LEU 81 HG LEU 81 -10.158 -17.473 -0.632 615 HD11 LEU 81 HD11 LEU 81 -12.866 -16.583 -1.637 616 HD12 LEU 81 HD12 LEU 81 -12.303 -18.247 -1.468 617 HD13 LEU 81 HD13 LEU 81 -11.519 -17.169 -2.620 618 HD21 LEU 81 HD21 LEU 81 -9.997 -15.341 -1.806 619 HD22 LEU 81 HD22 LEU 81 -9.696 -15.138 -0.082 620 HD23 LEU 81 HD23 LEU 81 -11.248 -14.648 -0.767 621 H LYS 82 H LYS 82 -14.317 -17.601 1.975 622 HA LYS 82 HA LYS 82 -16.138 -17.504 -0.165 623 HB2 LYS 82 HB2 LYS 82 -16.059 -19.483 1.158 624 HB3 LYS 82 HB3 LYS 82 -16.263 -18.609 2.661 625 HG2 LYS 82 HG2 LYS 82 -18.536 -18.617 0.680 626 HG3 LYS 82 HG3 LYS 82 -18.222 -20.075 1.620 627 HD2 LYS 82 HD2 LYS 82 -18.500 -18.807 3.723 628 HD3 LYS 82 HD3 LYS 82 -18.752 -17.316 2.814 629 HE2 LYS 82 HE2 LYS 82 -20.891 -18.215 3.581 630 HE3 LYS 82 HE3 LYS 82 -20.810 -18.288 1.822 631 HZ1 LYS 82 HZ1 LYS 82 -20.174 -20.644 2.033 632 HZ2 LYS 82 HZ2 LYS 82 -21.704 -20.322 2.671 633 HZ3 LYS 82 HZ3 LYS 82 -20.389 -20.541 3.707 634 H GLN 83 H GLN 83 -15.989 -15.561 2.846 635 HA GLN 83 HA GLN 83 -18.625 -14.414 2.519 636 HB2 GLN 83 HB2 GLN 83 -16.306 -13.386 4.210 637 HB3 GLN 83 HB3 GLN 83 -17.987 -12.875 4.339 638 HG2 GLN 83 HG2 GLN 83 -16.966 -15.661 4.916 639 HG3 GLN 83 HG3 GLN 83 -17.267 -14.436 6.122 640 HE21 GLN 83 HE21 GLN 83 -18.718 -15.828 7.187 641 HE22 GLN 83 HE22 GLN 83 -20.301 -16.156 6.573 642 H HIS 84 H HIS 84 -15.344 -13.574 1.579 643 HA HIS 84 HA HIS 84 -15.853 -11.001 0.495 644 HB2 HIS 84 HB2 HIS 84 -13.567 -11.624 0.932 645 HB3 HIS 84 HB3 HIS 84 -13.693 -13.080 -0.044 646 HD1 HIS 84 HD1 HIS 84 -14.191 -9.351 -0.756 647 HD2 HIS 84 HD2 HIS 84 -12.363 -12.722 -2.376 648 HE1 HIS 84 HE1 HIS 84 -13.102 -8.569 -2.881 649 HE2 HIS 84 HE2 HIS 84 -12.179 -10.662 -3.931 650 H LEU 85 H LEU 85 -16.344 -14.267 -0.751 651 HA LEU 85 HA LEU 85 -16.906 -13.441 -3.474 652 HB2 LEU 85 HB2 LEU 85 -17.522 -16.091 -2.098 653 HB3 LEU 85 HB3 LEU 85 -17.596 -15.790 -3.831 654 HG LEU 85 HG LEU 85 -15.098 -15.832 -2.095 655 HD11 LEU 85 HD11 LEU 85 -15.930 -18.049 -2.594 656 HD12 LEU 85 HD12 LEU 85 -14.429 -17.750 -3.463 657 HD13 LEU 85 HD13 LEU 85 -15.972 -17.685 -4.322 658 HD21 LEU 85 HD21 LEU 85 -14.816 -14.075 -3.742 659 HD22 LEU 85 HD22 LEU 85 -15.306 -15.161 -5.045 660 HD23 LEU 85 HD23 LEU 85 -13.803 -15.455 -4.165 661 H ALA 86 H ALA 86 -18.843 -14.555 -0.706 662 HA ALA 86 HA ALA 86 -21.349 -14.568 -2.074 663 HB1 ALA 86 HB1 ALA 86 -20.836 -16.106 -0.220 664 HB2 ALA 86 HB2 ALA 86 -22.289 -15.165 0.120 665 HB3 ALA 86 HB3 ALA 86 -20.761 -14.747 0.905 666 H SER 87 H SER 87 -19.792 -12.354 0.206 667 HA SER 87 HA SER 87 -22.040 -10.472 0.164 668 HB2 SER 87 HB2 SER 87 -20.949 -10.930 2.329 669 HB3 SER 87 HB3 SER 87 -19.399 -10.400 1.683 670 HG SER 87 HG SER 87 -20.036 -8.349 1.748 671 H GLY 88 H GLY 88 -18.779 -10.846 -1.168 672 HA2 GLY 88 HA2 GLY 88 -17.880 -9.785 -3.030 673 HA3 GLY 88 HA3 GLY 88 -19.206 -8.631 -3.021 674 H GLY 89 H GLY 89 -18.721 -6.629 -2.398 675 HA2 GLY 89 HA2 GLY 89 -16.957 -5.975 -0.228 676 HA3 GLY 89 HA3 GLY 89 -16.212 -5.653 -1.790 677 H ASP 90 H ASP 90 -19.649 -5.361 -1.379 678 HA ASP 90 HA ASP 90 -19.512 -2.410 -1.269 679 HB2 ASP 90 HB2 ASP 90 -19.978 -3.111 -3.614 680 HB3 ASP 90 HB3 ASP 90 -21.342 -4.080 -3.066 Start of MODEL 18 1 H ARG 11 H ARG 11 17.309 -11.562 -2.613 2 HA ARG 11 HA ARG 11 15.966 -10.364 -4.172 3 HB2 ARG 11 HB2 ARG 11 15.649 -11.311 -6.491 4 HB3 ARG 11 HB3 ARG 11 17.240 -10.622 -6.193 5 HG2 ARG 11 HG2 ARG 11 18.186 -12.874 -5.924 6 HG3 ARG 11 HG3 ARG 11 16.592 -13.590 -6.166 7 HD2 ARG 11 HD2 ARG 11 16.549 -12.590 -8.470 8 HD3 ARG 11 HD3 ARG 11 18.198 -12.009 -8.204 9 HE ARG 11 HE ARG 11 17.533 -14.886 -8.059 10 HH11 ARG 11 HH11 ARG 11 19.493 -12.332 -9.456 11 HH12 ARG 11 HH12 ARG 11 20.506 -13.429 -10.336 12 HH21 ARG 11 HH21 ARG 11 18.871 -16.315 -9.200 13 HH22 ARG 11 HH22 ARG 11 20.155 -15.686 -10.182 14 HA PRO 12 HA PRO 12 13.330 -13.788 -2.418 15 HB2 PRO 12 HB2 PRO 12 11.542 -12.117 -1.155 16 HB3 PRO 12 HB3 PRO 12 13.069 -12.616 -0.413 17 HG2 PRO 12 HG2 PRO 12 12.433 -10.062 -1.898 18 HG3 PRO 12 HG3 PRO 12 13.275 -10.265 -0.345 19 HD2 PRO 12 HD2 PRO 12 14.643 -9.872 -2.654 20 HD3 PRO 12 HD3 PRO 12 15.278 -10.934 -1.374 21 H LEU 13 H LEU 13 11.691 -14.626 -3.630 22 HA LEU 13 HA LEU 13 9.737 -12.911 -4.966 23 HB2 LEU 13 HB2 LEU 13 11.620 -13.204 -6.610 24 HB3 LEU 13 HB3 LEU 13 11.391 -14.942 -6.534 25 HG LEU 13 HG LEU 13 9.118 -14.694 -7.525 26 HD11 LEU 13 HD11 LEU 13 8.540 -12.476 -6.689 27 HD12 LEU 13 HD12 LEU 13 8.382 -12.537 -8.441 28 HD13 LEU 13 HD13 LEU 13 9.778 -11.741 -7.712 29 HD21 LEU 13 HD21 LEU 13 11.303 -13.365 -9.175 30 HD22 LEU 13 HD22 LEU 13 9.819 -14.081 -9.810 31 HD23 LEU 13 HD23 LEU 13 11.022 -15.103 -9.028 32 HA PRO 14 HA PRO 14 7.522 -16.751 -3.620 33 HB2 PRO 14 HB2 PRO 14 5.906 -15.672 -1.739 34 HB3 PRO 14 HB3 PRO 14 7.559 -16.161 -1.344 35 HG2 PRO 14 HG2 PRO 14 6.480 -13.404 -1.904 36 HG3 PRO 14 HG3 PRO 14 7.634 -13.917 -0.656 37 HD2 PRO 14 HD2 PRO 14 8.349 -12.756 -3.084 38 HD3 PRO 14 HD3 PRO 14 9.429 -13.770 -2.106 39 H VAL 15 H VAL 15 5.972 -17.126 -5.165 40 HA VAL 15 HA VAL 15 4.755 -15.052 -6.666 41 HB VAL 15 HB VAL 15 5.207 -17.201 -7.728 42 HG11 VAL 15 HG11 VAL 15 4.818 -18.743 -5.853 43 HG12 VAL 15 HG12 VAL 15 3.912 -19.258 -7.276 44 HG13 VAL 15 HG13 VAL 15 3.081 -18.446 -5.946 45 HG21 VAL 15 HG21 VAL 15 3.079 -17.525 -8.953 46 HG22 VAL 15 HG22 VAL 15 3.412 -15.811 -8.701 47 HG23 VAL 15 HG23 VAL 15 2.216 -16.631 -7.697 48 H CYS 16 H CYS 16 3.349 -13.712 -5.793 49 HA CYS 16 HA CYS 16 1.164 -14.663 -4.037 50 HB2 CYS 16 HB2 CYS 16 1.050 -12.268 -3.287 51 HB3 CYS 16 HB3 CYS 16 2.591 -13.040 -2.934 52 HG CYS 16 HG CYS 16 2.668 -11.489 -5.868 53 HA PRO 17 HA PRO 17 -1.075 -13.424 -7.886 54 HB2 PRO 17 HB2 PRO 17 -2.555 -15.639 -8.216 55 HB3 PRO 17 HB3 PRO 17 -0.815 -15.679 -8.532 56 HG2 PRO 17 HG2 PRO 17 -2.351 -16.760 -6.205 57 HG3 PRO 17 HG3 PRO 17 -0.880 -17.391 -6.966 58 HD2 PRO 17 HD2 PRO 17 -1.052 -15.767 -4.611 59 HD3 PRO 17 HD3 PRO 17 0.428 -16.253 -5.468 60 H ASN 18 H ASN 18 -1.673 -12.218 -5.518 61 HA ASN 18 HA ASN 18 -3.144 -11.383 -4.047 62 HB2 ASN 18 HB2 ASN 18 -4.317 -10.523 -6.025 63 HB3 ASN 18 HB3 ASN 18 -5.179 -12.043 -6.218 64 HD21 ASN 18 HD21 ASN 18 -4.889 -9.135 -4.237 65 HD22 ASN 18 HD22 ASN 18 -6.438 -9.274 -3.481 66 HA PRO 19 HA PRO 19 -4.141 -15.565 -2.227 67 HB2 PRO 19 HB2 PRO 19 -2.749 -14.311 0.122 68 HB3 PRO 19 HB3 PRO 19 -2.521 -15.908 -0.604 69 HG2 PRO 19 HG2 PRO 19 -0.691 -14.000 -0.945 70 HG3 PRO 19 HG3 PRO 19 -1.107 -15.087 -2.293 71 HD2 PRO 19 HD2 PRO 19 -2.066 -12.258 -1.768 72 HD3 PRO 19 HD3 PRO 19 -1.467 -12.974 -3.285 73 H LEU 20 H LEU 20 -4.558 -12.261 -1.116 74 HA LEU 20 HA LEU 20 -6.032 -11.112 0.109 75 HB2 LEU 20 HB2 LEU 20 -7.736 -13.624 -0.041 76 HB3 LEU 20 HB3 LEU 20 -8.266 -12.192 0.829 77 HG LEU 20 HG LEU 20 -7.696 -12.364 -2.161 78 HD11 LEU 20 HD11 LEU 20 -10.324 -12.048 -0.679 79 HD12 LEU 20 HD12 LEU 20 -9.772 -13.473 -1.566 80 HD13 LEU 20 HD13 LEU 20 -10.110 -11.978 -2.432 81 HD21 LEU 20 HD21 LEU 20 -8.557 -10.040 -2.279 82 HD22 LEU 20 HD22 LEU 20 -7.061 -10.156 -1.362 83 HD23 LEU 20 HD23 LEU 20 -8.600 -9.971 -0.513 84 H PHE 21 H PHE 21 -5.216 -14.282 1.393 85 HA PHE 21 HA PHE 21 -5.798 -13.833 4.094 86 HB2 PHE 21 HB2 PHE 21 -3.735 -15.689 2.850 87 HB3 PHE 21 HB3 PHE 21 -4.336 -15.804 4.500 88 HD1 PHE 21 HD1 PHE 21 -7.312 -15.120 3.519 89 HD2 PHE 21 HD2 PHE 21 -4.371 -18.015 2.417 90 HE1 PHE 21 HE1 PHE 21 -9.085 -16.649 2.806 91 HE2 PHE 21 HE2 PHE 21 -6.158 -19.544 1.709 92 HZ PHE 21 HZ PHE 21 -8.516 -18.860 1.899 93 H VAL 22 H VAL 22 -3.137 -12.669 2.145 94 HA VAL 22 HA VAL 22 -1.191 -12.323 4.193 95 HB VAL 22 HB VAL 22 -1.533 -10.640 1.660 96 HG11 VAL 22 HG11 VAL 22 -0.038 -9.545 3.288 97 HG12 VAL 22 HG12 VAL 22 0.889 -10.127 1.906 98 HG13 VAL 22 HG13 VAL 22 0.923 -11.020 3.429 99 HG21 VAL 22 HG21 VAL 22 0.125 -12.159 0.625 100 HG22 VAL 22 HG22 VAL 22 -1.331 -13.028 1.108 101 HG23 VAL 22 HG23 VAL 22 0.132 -13.150 2.087 102 H ARG 23 H ARG 23 -3.457 -9.946 2.730 103 HA ARG 23 HA ARG 23 -2.951 -7.854 4.565 104 HB2 ARG 23 HB2 ARG 23 -5.101 -6.845 3.775 105 HB3 ARG 23 HB3 ARG 23 -4.006 -7.277 2.473 106 HG2 ARG 23 HG2 ARG 23 -5.375 -8.993 1.685 107 HG3 ARG 23 HG3 ARG 23 -6.149 -9.243 3.249 108 HD2 ARG 23 HD2 ARG 23 -6.608 -6.793 1.514 109 HD3 ARG 23 HD3 ARG 23 -7.640 -8.230 1.506 110 HE ARG 23 HE ARG 23 -7.429 -7.405 4.156 111 HH11 ARG 23 HH11 ARG 23 -8.736 -6.019 1.202 112 HH12 ARG 23 HH12 ARG 23 -9.990 -5.165 2.038 113 HH21 ARG 23 HH21 ARG 23 -9.111 -6.353 5.203 114 HH22 ARG 23 HH22 ARG 23 -10.213 -5.360 4.298 115 H TRP 24 H TRP 24 -5.290 -10.516 4.619 116 HA TRP 24 HA TRP 24 -6.868 -9.570 6.782 117 HB2 TRP 24 HB2 TRP 24 -6.569 -12.331 5.544 118 HB3 TRP 24 HB3 TRP 24 -7.676 -12.011 6.874 119 HD1 TRP 24 HD1 TRP 24 -8.215 -8.965 5.240 120 HE1 TRP 24 HE1 TRP 24 -10.047 -9.039 3.449 121 HE3 TRP 24 HE3 TRP 24 -8.549 -14.034 4.581 122 HZ2 TRP 24 HZ2 TRP 24 -11.462 -10.943 1.970 123 HZ3 TRP 24 HZ3 TRP 24 -10.178 -14.894 2.959 124 HH2 TRP 24 HH2 TRP 24 -11.610 -13.381 1.680 125 H LEU 25 H LEU 25 -4.188 -11.950 6.711 126 HA LEU 25 HA LEU 25 -4.190 -12.523 9.481 127 HB2 LEU 25 HB2 LEU 25 -2.004 -12.802 7.400 128 HB3 LEU 25 HB3 LEU 25 -1.801 -13.342 9.062 129 HG LEU 25 HG LEU 25 -3.965 -14.405 7.191 130 HD11 LEU 25 HD11 LEU 25 -2.622 -16.442 6.978 131 HD12 LEU 25 HD12 LEU 25 -1.314 -15.694 7.899 132 HD13 LEU 25 HD13 LEU 25 -1.772 -15.042 6.322 133 HD21 LEU 25 HD21 LEU 25 -3.025 -15.386 9.908 134 HD22 LEU 25 HD22 LEU 25 -4.220 -16.184 8.880 135 HD23 LEU 25 HD23 LEU 25 -4.563 -14.594 9.554 136 H THR 26 H THR 26 -2.782 -9.909 7.622 137 HA THR 26 HA THR 26 -1.025 -8.898 9.650 138 HB THR 26 HB THR 26 -2.203 -7.477 7.220 139 HG1 THR 26 HG1 THR 26 -0.780 -9.455 7.005 140 HG21 THR 26 HG21 THR 26 -1.306 -5.850 8.857 141 HG22 THR 26 HG22 THR 26 -0.284 -5.923 7.420 142 HG23 THR 26 HG23 THR 26 0.224 -6.733 8.904 143 H GLU 27 H GLU 27 -4.356 -8.036 8.603 144 HA GLU 27 HA GLU 27 -4.555 -5.774 10.375 145 HB2 GLU 27 HB2 GLU 27 -6.864 -5.553 9.593 146 HB3 GLU 27 HB3 GLU 27 -5.783 -5.829 8.233 147 HG2 GLU 27 HG2 GLU 27 -6.485 -8.271 8.319 148 HG3 GLU 27 HG3 GLU 27 -7.725 -7.794 9.480 149 H TRP 28 H TRP 28 -5.579 -9.161 10.541 150 HA TRP 28 HA TRP 28 -7.114 -8.901 12.963 151 HB2 TRP 28 HB2 TRP 28 -5.936 -11.412 11.698 152 HB3 TRP 28 HB3 TRP 28 -7.121 -11.383 12.995 153 HD1 TRP 28 HD1 TRP 28 -8.861 -8.972 11.376 154 HE1 TRP 28 HE1 TRP 28 -10.392 -9.786 9.494 155 HE3 TRP 28 HE3 TRP 28 -6.767 -13.560 10.531 156 HZ2 TRP 28 HZ2 TRP 28 -10.700 -12.039 7.870 157 HZ3 TRP 28 HZ3 TRP 28 -7.754 -14.979 8.790 158 HH2 TRP 28 HH2 TRP 28 -9.678 -14.245 7.485 159 H ARG 29 H ARG 29 -3.767 -9.674 12.169 160 HA ARG 29 HA ARG 29 -2.741 -10.305 14.725 161 HB2 ARG 29 HB2 ARG 29 -1.494 -10.526 12.575 162 HB3 ARG 29 HB3 ARG 29 -1.447 -8.774 12.430 163 HG2 ARG 29 HG2 ARG 29 -0.107 -8.788 14.633 164 HG3 ARG 29 HG3 ARG 29 0.041 -10.535 14.398 165 HD2 ARG 29 HD2 ARG 29 2.010 -9.459 13.478 166 HD3 ARG 29 HD3 ARG 29 1.048 -10.095 12.138 167 HE ARG 29 HE ARG 29 0.485 -7.331 12.812 168 HH11 ARG 29 HH11 ARG 29 2.507 -9.395 10.805 169 HH12 ARG 29 HH12 ARG 29 2.884 -8.126 9.688 170 HH21 ARG 29 HH21 ARG 29 0.990 -5.692 11.336 171 HH22 ARG 29 HH22 ARG 29 2.025 -6.031 9.987 172 H ASP 30 H ASP 30 -3.282 -7.225 13.072 173 HA ASP 30 HA ASP 30 -2.190 -5.512 15.066 174 HB2 ASP 30 HB2 ASP 30 -2.476 -4.884 12.643 175 HB3 ASP 30 HB3 ASP 30 -4.221 -4.836 12.884 176 H GLU 31 H GLU 31 -5.485 -6.681 14.377 177 HA GLU 31 HA GLU 31 -6.865 -5.335 16.452 178 HB2 GLU 31 HB2 GLU 31 -7.451 -8.058 15.212 179 HB3 GLU 31 HB3 GLU 31 -8.564 -7.169 16.250 180 HG2 GLU 31 HG2 GLU 31 -8.687 -5.366 14.585 181 HG3 GLU 31 HG3 GLU 31 -7.557 -6.233 13.549 182 H ALA 32 H ALA 32 -5.077 -8.379 16.362 183 HA ALA 32 HA ALA 32 -5.772 -9.221 18.986 184 HB1 ALA 32 HB1 ALA 32 -3.494 -10.080 17.199 185 HB2 ALA 32 HB2 ALA 32 -5.090 -10.817 17.299 186 HB3 ALA 32 HB3 ALA 32 -3.991 -10.908 18.677 187 H ALA 33 H ALA 33 -3.398 -6.986 17.777 188 HA ALA 33 HA ALA 33 -1.936 -6.763 20.285 189 HB1 ALA 33 HB1 ALA 33 -0.805 -6.352 18.141 190 HB2 ALA 33 HB2 ALA 33 -0.753 -4.914 19.161 191 HB3 ALA 33 HB3 ALA 33 -1.887 -4.999 17.808 192 H SER 34 H SER 34 -4.676 -5.114 18.706 193 HA SER 34 HA SER 34 -4.611 -2.890 20.665 194 HB2 SER 34 HB2 SER 34 -6.197 -1.775 19.037 195 HB3 SER 34 HB3 SER 34 -4.614 -2.163 18.363 196 HG SER 34 HG SER 34 -5.621 -3.261 16.913 197 H ARG 35 H ARG 35 -7.172 -4.883 19.112 198 HA ARG 35 HA ARG 35 -9.231 -4.503 20.984 199 HB2 ARG 35 HB2 ARG 35 -9.523 -5.545 18.715 200 HB3 ARG 35 HB3 ARG 35 -8.676 -6.980 19.272 201 HG2 ARG 35 HG2 ARG 35 -11.048 -7.432 19.227 202 HG3 ARG 35 HG3 ARG 35 -10.523 -7.393 20.912 203 HD2 ARG 35 HD2 ARG 35 -11.473 -5.201 21.229 204 HD3 ARG 35 HD3 ARG 35 -11.794 -5.022 19.504 205 HE ARG 35 HE ARG 35 -13.197 -6.917 21.304 206 HH11 ARG 35 HH11 ARG 35 -13.222 -4.919 18.405 207 HH12 ARG 35 HH12 ARG 35 -14.916 -5.141 18.123 208 HH21 ARG 35 HH21 ARG 35 -15.428 -7.197 20.911 209 HH22 ARG 35 HH22 ARG 35 -16.168 -6.431 19.540 210 H GLY 36 H GLY 36 -6.616 -6.896 20.858 211 HA2 GLY 36 HA2 GLY 36 -5.538 -7.825 22.767 212 HA3 GLY 36 HA3 GLY 36 -6.992 -7.556 23.718 213 H ARG 37 H ARG 37 -6.866 -9.000 20.519 214 HA ARG 37 HA ARG 37 -8.306 -11.355 21.256 215 HB2 ARG 37 HB2 ARG 37 -8.259 -10.198 18.947 216 HB3 ARG 37 HB3 ARG 37 -6.703 -10.958 18.697 217 HG2 ARG 37 HG2 ARG 37 -8.254 -12.329 17.574 218 HG3 ARG 37 HG3 ARG 37 -7.868 -13.201 19.062 219 HD2 ARG 37 HD2 ARG 37 -10.264 -13.293 18.659 220 HD3 ARG 37 HD3 ARG 37 -9.958 -12.293 20.089 221 HE ARG 37 HE ARG 37 -10.289 -10.989 17.461 222 HH11 ARG 37 HH11 ARG 37 -11.571 -11.538 20.677 223 HH12 ARG 37 HH12 ARG 37 -12.788 -10.316 20.520 224 HH21 ARG 37 HH21 ARG 37 -11.861 -9.373 17.284 225 HH22 ARG 37 HH22 ARG 37 -12.958 -9.088 18.600 226 H HIS 38 H HIS 38 -4.943 -10.495 21.036 227 HA HIS 38 HA HIS 38 -3.044 -11.366 21.855 228 HB2 HIS 38 HB2 HIS 38 -4.683 -13.713 22.888 229 HB3 HIS 38 HB3 HIS 38 -3.009 -13.373 23.315 230 HD1 HIS 38 HD1 HIS 38 -6.015 -13.255 24.905 231 HD2 HIS 38 HD2 HIS 38 -3.138 -10.319 24.297 232 HE1 HIS 38 HE1 HIS 38 -6.385 -11.566 26.728 233 HE2 HIS 38 HE2 HIS 38 -4.622 -9.806 26.355 234 H THR 39 H THR 39 -4.907 -13.096 19.591 235 HA THR 39 HA THR 39 -3.134 -15.267 19.022 236 HB THR 39 HB THR 39 -4.683 -15.464 16.944 237 HG1 THR 39 HG1 THR 39 -6.490 -14.186 16.950 238 HG21 THR 39 HG21 THR 39 -5.993 -15.545 19.685 239 HG22 THR 39 HG22 THR 39 -5.045 -16.847 18.961 240 HG23 THR 39 HG23 THR 39 -6.573 -16.359 18.227 241 H ARG 40 H ARG 40 -2.395 -12.180 18.602 242 HA ARG 40 HA ARG 40 -1.747 -11.762 15.915 243 HB2 ARG 40 HB2 ARG 40 -0.155 -10.044 16.726 244 HB3 ARG 40 HB3 ARG 40 -1.722 -9.919 17.509 245 HG2 ARG 40 HG2 ARG 40 -0.777 -11.083 19.509 246 HG3 ARG 40 HG3 ARG 40 0.803 -11.090 18.715 247 HD2 ARG 40 HD2 ARG 40 0.644 -8.584 18.558 248 HD3 ARG 40 HD3 ARG 40 -0.816 -8.667 19.549 249 HE ARG 40 HE ARG 40 0.951 -9.973 21.090 250 HH11 ARG 40 HH11 ARG 40 1.294 -6.884 19.427 251 HH12 ARG 40 HH12 ARG 40 2.330 -6.214 20.646 252 HH21 ARG 40 HH21 ARG 40 2.328 -9.071 22.649 253 HH22 ARG 40 HH22 ARG 40 2.906 -7.448 22.464 254 H PHE 41 H PHE 41 -0.251 -13.758 18.282 255 HA PHE 41 HA PHE 41 2.350 -13.942 17.077 256 HB2 PHE 41 HB2 PHE 41 0.991 -15.704 19.169 257 HB3 PHE 41 HB3 PHE 41 2.698 -15.770 18.739 258 HD1 PHE 41 HD1 PHE 41 4.116 -13.638 19.100 259 HD2 PHE 41 HD2 PHE 41 0.253 -14.184 20.853 260 HE1 PHE 41 HE1 PHE 41 4.618 -11.901 20.764 261 HE2 PHE 41 HE2 PHE 41 0.768 -12.445 22.517 262 HZ PHE 41 HZ PHE 41 2.946 -11.298 22.471 263 H VAL 42 H VAL 42 -0.619 -15.999 17.030 264 HA VAL 42 HA VAL 42 0.579 -17.931 15.239 265 HB VAL 42 HB VAL 42 -1.200 -18.635 16.836 266 HG11 VAL 42 HG11 VAL 42 -3.580 -18.209 16.353 267 HG12 VAL 42 HG12 VAL 42 -3.125 -17.124 15.036 268 HG13 VAL 42 HG13 VAL 42 -2.716 -16.708 16.702 269 HG21 VAL 42 HG21 VAL 42 -2.387 -20.147 15.275 270 HG22 VAL 42 HG22 VAL 42 -0.670 -20.034 14.883 271 HG23 VAL 42 HG23 VAL 42 -1.856 -19.158 13.911 272 H PHE 43 H PHE 43 -1.562 -15.132 14.866 273 HA PHE 43 HA PHE 43 -1.978 -15.308 12.067 274 HB2 PHE 43 HB2 PHE 43 -1.974 -12.889 13.926 275 HB3 PHE 43 HB3 PHE 43 -2.340 -12.763 12.210 276 HD1 PHE 43 HD1 PHE 43 -4.029 -15.201 11.814 277 HD2 PHE 43 HD2 PHE 43 -4.032 -12.312 14.960 278 HE1 PHE 43 HE1 PHE 43 -6.402 -15.658 12.233 279 HE2 PHE 43 HE2 PHE 43 -6.417 -12.774 15.368 280 HZ PHE 43 HZ PHE 43 -7.603 -14.447 14.005 281 H GLN 44 H GLN 44 0.685 -14.075 14.048 282 HA GLN 44 HA GLN 44 2.194 -12.837 11.978 283 HB2 GLN 44 HB2 GLN 44 2.711 -12.325 14.303 284 HB3 GLN 44 HB3 GLN 44 3.027 -14.016 14.661 285 HG2 GLN 44 HG2 GLN 44 5.031 -13.939 13.203 286 HG3 GLN 44 HG3 GLN 44 4.725 -12.233 12.881 287 HE21 GLN 44 HE21 GLN 44 5.145 -10.713 14.521 288 HE22 GLN 44 HE22 GLN 44 6.065 -11.103 15.929 289 H LYS 45 H LYS 45 2.419 -16.099 13.459 290 HA LYS 45 HA LYS 45 4.595 -17.017 11.888 291 HB2 LYS 45 HB2 LYS 45 2.449 -18.590 13.357 292 HB3 LYS 45 HB3 LYS 45 3.903 -19.311 12.668 293 HG2 LYS 45 HG2 LYS 45 5.318 -18.025 14.180 294 HG3 LYS 45 HG3 LYS 45 3.913 -17.168 14.827 295 HD2 LYS 45 HD2 LYS 45 4.487 -20.149 15.080 296 HD3 LYS 45 HD3 LYS 45 4.647 -18.945 16.360 297 HE2 LYS 45 HE2 LYS 45 2.200 -18.533 16.255 298 HE3 LYS 45 HE3 LYS 45 2.053 -19.759 14.994 299 HZ1 LYS 45 HZ1 LYS 45 3.039 -20.253 17.743 300 HZ2 LYS 45 HZ2 LYS 45 2.792 -21.417 16.542 301 HZ3 LYS 45 HZ3 LYS 45 1.479 -20.581 17.194 302 H ALA 46 H ALA 46 1.099 -17.379 11.486 303 HA ALA 46 HA ALA 46 1.102 -19.055 9.196 304 HB1 ALA 46 HB1 ALA 46 -0.873 -18.774 10.652 305 HB2 ALA 46 HB2 ALA 46 -1.269 -18.391 8.976 306 HB3 ALA 46 HB3 ALA 46 -1.023 -17.091 10.146 307 H LEU 47 H LEU 47 1.053 -15.544 9.635 308 HA LEU 47 HA LEU 47 0.750 -14.758 6.919 309 HB2 LEU 47 HB2 LEU 47 0.241 -13.276 8.792 310 HB3 LEU 47 HB3 LEU 47 1.907 -13.326 9.337 311 HG LEU 47 HG LEU 47 2.612 -12.028 7.351 312 HD11 LEU 47 HD11 LEU 47 0.964 -11.022 5.836 313 HD12 LEU 47 HD12 LEU 47 -0.329 -11.939 6.612 314 HD13 LEU 47 HD13 LEU 47 0.944 -12.781 5.723 315 HD21 LEU 47 HD21 LEU 47 1.593 -9.888 8.002 316 HD22 LEU 47 HD22 LEU 47 1.993 -10.850 9.424 317 HD23 LEU 47 HD23 LEU 47 0.317 -10.744 8.872 318 H ARG 48 H ARG 48 3.617 -15.029 8.998 319 HA ARG 48 HA ARG 48 5.514 -14.038 7.164 320 HB2 ARG 48 HB2 ARG 48 5.896 -15.779 9.641 321 HB3 ARG 48 HB3 ARG 48 7.228 -15.089 8.720 322 HG2 ARG 48 HG2 ARG 48 5.089 -13.483 10.158 323 HG3 ARG 48 HG3 ARG 48 6.698 -13.828 10.790 324 HD2 ARG 48 HD2 ARG 48 7.676 -12.591 8.845 325 HD3 ARG 48 HD3 ARG 48 6.039 -12.173 8.323 326 HE ARG 48 HE ARG 48 5.982 -11.236 10.815 327 HH11 ARG 48 HH11 ARG 48 8.516 -10.806 8.392 328 HH12 ARG 48 HH12 ARG 48 9.043 -9.297 9.063 329 HH21 ARG 48 HH21 ARG 48 6.703 -9.268 11.663 330 HH22 ARG 48 HH22 ARG 48 8.021 -8.424 10.914 331 H SER 49 H SER 49 4.573 -17.354 8.095 332 HA SER 49 HA SER 49 6.341 -18.745 6.397 333 HB2 SER 49 HB2 SER 49 4.858 -20.699 6.711 334 HB3 SER 49 HB3 SER 49 5.134 -19.862 8.242 335 HG SER 49 HG SER 49 3.072 -18.801 7.829 336 H LEU 50 H LEU 50 3.037 -17.514 5.850 337 HA LEU 50 HA LEU 50 2.543 -18.544 3.273 338 HB2 LEU 50 HB2 LEU 50 0.952 -17.350 4.940 339 HB3 LEU 50 HB3 LEU 50 1.552 -15.843 4.284 340 HG LEU 50 HG LEU 50 0.099 -17.959 2.627 341 HD11 LEU 50 HD11 LEU 50 -1.401 -17.122 4.367 342 HD12 LEU 50 HD12 LEU 50 -1.903 -16.550 2.780 343 HD13 LEU 50 HD13 LEU 50 -1.069 -15.454 3.886 344 HD21 LEU 50 HD21 LEU 50 -0.269 -16.160 0.979 345 HD22 LEU 50 HD22 LEU 50 1.447 -16.472 1.222 346 HD23 LEU 50 HD23 LEU 50 0.701 -15.055 1.962 347 H GLN 51 H GLN 51 4.147 -15.594 4.370 348 HA GLN 51 HA GLN 51 4.630 -14.406 1.809 349 HB2 GLN 51 HB2 GLN 51 5.921 -13.928 4.524 350 HB3 GLN 51 HB3 GLN 51 6.216 -12.928 3.102 351 HG2 GLN 51 HG2 GLN 51 3.890 -12.196 3.079 352 HG3 GLN 51 HG3 GLN 51 3.494 -13.284 4.409 353 HE21 GLN 51 HE21 GLN 51 4.286 -12.779 6.509 354 HE22 GLN 51 HE22 GLN 51 4.805 -11.188 6.923 355 H ARG 52 H ARG 52 6.260 -16.871 3.647 356 HA ARG 52 HA ARG 52 8.663 -16.768 1.915 357 HB2 ARG 52 HB2 ARG 52 8.180 -18.419 4.443 358 HB3 ARG 52 HB3 ARG 52 9.700 -18.304 3.551 359 HG2 ARG 52 HG2 ARG 52 9.771 -15.855 4.103 360 HG3 ARG 52 HG3 ARG 52 8.315 -16.070 5.072 361 HD2 ARG 52 HD2 ARG 52 10.196 -16.084 6.565 362 HD3 ARG 52 HD3 ARG 52 9.578 -17.739 6.475 363 HE ARG 52 HE ARG 52 11.824 -16.952 4.745 364 HH11 ARG 52 HH11 ARG 52 10.745 -18.835 7.508 365 HH12 ARG 52 HH12 ARG 52 12.213 -19.753 7.595 366 HH21 ARG 52 HH21 ARG 52 13.732 -18.153 4.879 367 HH22 ARG 52 HH22 ARG 52 13.901 -19.355 6.116 368 H TYR 53 H TYR 53 5.657 -18.235 1.962 369 HA TYR 53 HA TYR 53 6.507 -20.874 0.954 370 HB2 TYR 53 HB2 TYR 53 4.676 -20.467 2.787 371 HB3 TYR 53 HB3 TYR 53 3.638 -19.989 1.457 372 HD1 TYR 53 HD1 TYR 53 6.005 -22.840 2.184 373 HD2 TYR 53 HD2 TYR 53 2.117 -21.681 0.857 374 HE1 TYR 53 HE1 TYR 53 5.378 -25.203 1.967 375 HE2 TYR 53 HE2 TYR 53 1.491 -24.044 0.636 376 HH TYR 53 HH TYR 53 2.573 -26.221 0.338 377 HA PRO 54 HA PRO 54 5.679 -18.892 -3.084 378 HB2 PRO 54 HB2 PRO 54 7.226 -20.459 -4.620 379 HB3 PRO 54 HB3 PRO 54 7.952 -19.373 -3.424 380 HG2 PRO 54 HG2 PRO 54 7.484 -22.343 -3.262 381 HG3 PRO 54 HG3 PRO 54 8.891 -21.400 -2.727 382 HD2 PRO 54 HD2 PRO 54 6.785 -22.263 -1.067 383 HD3 PRO 54 HD3 PRO 54 7.941 -20.973 -0.672 384 H LEU 55 H LEU 55 3.784 -20.912 -1.893 385 HA LEU 55 HA LEU 55 2.672 -22.029 -4.403 386 HB2 LEU 55 HB2 LEU 55 2.238 -22.882 -1.509 387 HB3 LEU 55 HB3 LEU 55 1.159 -23.371 -2.800 388 HG LEU 55 HG LEU 55 3.198 -24.441 -3.937 389 HD11 LEU 55 HD11 LEU 55 5.100 -25.067 -2.527 390 HD12 LEU 55 HD12 LEU 55 4.467 -24.077 -1.210 391 HD13 LEU 55 HD13 LEU 55 4.990 -23.317 -2.715 392 HD21 LEU 55 HD21 LEU 55 2.268 -25.598 -1.287 393 HD22 LEU 55 HD22 LEU 55 3.039 -26.498 -2.597 394 HD23 LEU 55 HD23 LEU 55 1.452 -25.770 -2.844 395 HA PRO 56 HA PRO 56 -0.498 -18.882 -4.065 396 HB2 PRO 56 HB2 PRO 56 -2.435 -19.909 -5.677 397 HB3 PRO 56 HB3 PRO 56 -0.889 -19.333 -6.319 398 HG2 PRO 56 HG2 PRO 56 -1.768 -22.154 -5.718 399 HG3 PRO 56 HG3 PRO 56 -0.907 -21.532 -7.142 400 HD2 PRO 56 HD2 PRO 56 0.358 -22.793 -5.057 401 HD3 PRO 56 HD3 PRO 56 1.150 -21.562 -6.066 402 H LEU 57 H LEU 57 -0.933 -19.098 -1.819 403 HA LEU 57 HA LEU 57 -3.108 -20.860 -0.934 404 HB2 LEU 57 HB2 LEU 57 -1.634 -18.746 0.698 405 HB3 LEU 57 HB3 LEU 57 -2.665 -20.032 1.314 406 HG LEU 57 HG LEU 57 0.096 -20.339 0.066 407 HD11 LEU 57 HD11 LEU 57 0.738 -21.209 2.271 408 HD12 LEU 57 HD12 LEU 57 -0.888 -20.888 2.883 409 HD13 LEU 57 HD13 LEU 57 0.147 -19.554 2.366 410 HD21 LEU 57 HD21 LEU 57 -0.083 -22.760 0.493 411 HD22 LEU 57 HD22 LEU 57 -1.283 -22.223 -0.679 412 HD23 LEU 57 HD23 LEU 57 -1.769 -22.560 0.986 413 H ARG 58 H ARG 58 -4.578 -19.789 -2.517 414 HA ARG 58 HA ARG 58 -5.555 -17.103 -1.761 415 HB2 ARG 58 HB2 ARG 58 -6.310 -18.836 -4.155 416 HB3 ARG 58 HB3 ARG 58 -6.813 -17.166 -3.884 417 HG2 ARG 58 HG2 ARG 58 -4.370 -16.506 -4.029 418 HG3 ARG 58 HG3 ARG 58 -4.010 -18.178 -4.481 419 HD2 ARG 58 HD2 ARG 58 -4.187 -16.767 -6.478 420 HD3 ARG 58 HD3 ARG 58 -5.493 -17.961 -6.455 421 HE ARG 58 HE ARG 58 -6.205 -15.432 -5.270 422 HH11 ARG 58 HH11 ARG 58 -6.037 -17.133 -8.338 423 HH12 ARG 58 HH12 ARG 58 -7.231 -16.128 -9.085 424 HH21 ARG 58 HH21 ARG 58 -7.743 -14.134 -6.269 425 HH22 ARG 58 HH22 ARG 58 -8.187 -14.431 -7.917 426 H SER 59 H SER 59 -6.637 -20.450 -2.169 427 HA SER 59 HA SER 59 -9.214 -19.910 -0.860 428 HB2 SER 59 HB2 SER 59 -9.238 -21.341 -2.881 429 HB3 SER 59 HB3 SER 59 -8.105 -22.461 -2.121 430 HG SER 59 HG SER 59 -10.751 -21.860 -1.266 431 H GLY 60 H GLY 60 -9.802 -20.962 1.097 432 HA2 GLY 60 HA2 GLY 60 -7.850 -21.255 3.109 433 HA3 GLY 60 HA3 GLY 60 -9.522 -21.802 3.210 434 H LYS 61 H LYS 61 -9.389 -23.607 1.006 435 HA LYS 61 HA LYS 61 -8.667 -26.071 2.002 436 HB2 LYS 61 HB2 LYS 61 -10.047 -25.756 0.002 437 HB3 LYS 61 HB3 LYS 61 -8.675 -25.082 -0.874 438 HG2 LYS 61 HG2 LYS 61 -7.529 -27.302 -0.712 439 HG3 LYS 61 HG3 LYS 61 -8.981 -27.962 0.053 440 HD2 LYS 61 HD2 LYS 61 -10.287 -27.603 -1.955 441 HD3 LYS 61 HD3 LYS 61 -8.985 -26.676 -2.709 442 HE2 LYS 61 HE2 LYS 61 -8.873 -29.630 -2.009 443 HE3 LYS 61 HE3 LYS 61 -9.121 -28.963 -3.626 444 HZ1 LYS 61 HZ1 LYS 61 -6.909 -27.845 -3.352 445 HZ2 LYS 61 HZ2 LYS 61 -6.844 -29.535 -3.427 446 HZ3 LYS 61 HZ3 LYS 61 -6.692 -28.752 -1.939 447 H GLU 62 H GLU 62 -6.634 -23.749 0.297 448 HA GLU 62 HA GLU 62 -4.340 -25.514 0.057 449 HB2 GLU 62 HB2 GLU 62 -4.507 -22.535 -0.549 450 HB3 GLU 62 HB3 GLU 62 -3.279 -23.663 -1.113 451 HG2 GLU 62 HG2 GLU 62 -6.208 -23.604 -1.910 452 HG3 GLU 62 HG3 GLU 62 -4.832 -23.136 -2.907 453 H ALA 63 H ALA 63 -5.322 -22.718 2.031 454 HA ALA 63 HA ALA 63 -2.837 -22.338 3.405 455 HB1 ALA 63 HB1 ALA 63 -4.152 -20.930 4.951 456 HB2 ALA 63 HB2 ALA 63 -5.651 -21.554 4.254 457 HB3 ALA 63 HB3 ALA 63 -4.561 -20.578 3.269 458 H LYS 64 H LYS 64 -5.384 -24.623 3.744 459 HA LYS 64 HA LYS 64 -5.167 -25.215 6.537 460 HB2 LYS 64 HB2 LYS 64 -7.238 -25.467 5.155 461 HB3 LYS 64 HB3 LYS 64 -6.485 -26.797 4.290 462 HG2 LYS 64 HG2 LYS 64 -6.597 -28.223 6.195 463 HG3 LYS 64 HG3 LYS 64 -6.917 -26.872 7.286 464 HD2 LYS 64 HD2 LYS 64 -8.972 -28.131 6.917 465 HD3 LYS 64 HD3 LYS 64 -9.128 -26.527 6.218 466 HE2 LYS 64 HE2 LYS 64 -8.602 -27.525 3.962 467 HE3 LYS 64 HE3 LYS 64 -8.623 -29.125 4.712 468 HZ1 LYS 64 HZ1 LYS 64 -10.729 -28.638 3.695 469 HZ2 LYS 64 HZ2 LYS 64 -10.887 -27.212 4.584 470 HZ3 LYS 64 HZ3 LYS 64 -10.927 -28.707 5.374 471 H ILE 65 H ILE 65 -3.373 -26.266 3.740 472 HA ILE 65 HA ILE 65 -2.596 -28.847 4.740 473 HB ILE 65 HB ILE 65 -0.978 -29.010 2.943 474 HG12 ILE 65 HG12 ILE 65 -1.478 -26.063 2.351 475 HG13 ILE 65 HG13 ILE 65 0.000 -26.730 3.015 476 HG21 ILE 65 HG21 ILE 65 -3.333 -29.393 2.337 477 HG22 ILE 65 HG22 ILE 65 -2.460 -28.698 0.974 478 HG23 ILE 65 HG23 ILE 65 -3.532 -27.682 1.940 479 HD11 ILE 65 HD11 ILE 65 -1.102 -27.227 0.248 480 HD12 ILE 65 HD12 ILE 65 0.375 -27.944 0.901 481 HD13 ILE 65 HD13 ILE 65 0.264 -26.198 0.675 482 H LEU 66 H LEU 66 -1.517 -25.629 5.430 483 HA LEU 66 HA LEU 66 1.033 -26.542 6.593 484 HB2 LEU 66 HB2 LEU 66 -0.083 -23.708 6.573 485 HB3 LEU 66 HB3 LEU 66 1.540 -24.205 7.020 486 HG LEU 66 HG LEU 66 1.658 -25.041 4.496 487 HD11 LEU 66 HD11 LEU 66 0.368 -23.663 2.929 488 HD12 LEU 66 HD12 LEU 66 -0.503 -22.922 4.275 489 HD13 LEU 66 HD13 LEU 66 -0.697 -24.644 3.937 490 HD21 LEU 66 HD21 LEU 66 1.839 -22.097 5.204 491 HD22 LEU 66 HD22 LEU 66 2.586 -22.884 3.809 492 HD23 LEU 66 HD23 LEU 66 3.105 -23.309 5.438 493 H GLN 67 H GLN 67 1.321 -26.788 8.738 494 HA GLN 67 HA GLN 67 -0.932 -26.579 10.559 495 HB2 GLN 67 HB2 GLN 67 0.608 -28.576 10.511 496 HB3 GLN 67 HB3 GLN 67 1.910 -27.551 11.091 497 HG2 GLN 67 HG2 GLN 67 0.954 -28.888 12.905 498 HG3 GLN 67 HG3 GLN 67 0.711 -27.165 13.193 499 HE21 GLN 67 HE21 GLN 67 -1.024 -27.523 14.595 500 HE22 GLN 67 HE22 GLN 67 -2.565 -28.074 14.053 501 H HIS 68 H HIS 68 1.659 -24.530 9.596 502 HA HIS 68 HA HIS 68 2.068 -22.905 11.868 503 HB2 HIS 68 HB2 HIS 68 1.872 -22.004 8.952 504 HB3 HIS 68 HB3 HIS 68 2.533 -21.035 10.267 505 HD1 HIS 68 HD1 HIS 68 4.589 -22.566 11.585 506 HD2 HIS 68 HD2 HIS 68 3.885 -23.092 7.519 507 HE1 HIS 68 HE1 HIS 68 6.700 -23.568 10.662 508 HE2 HIS 68 HE2 HIS 68 6.188 -24.022 8.242 509 H PHE 69 H PHE 69 -0.406 -22.793 9.368 510 HA PHE 69 HA PHE 69 -2.208 -21.054 10.737 511 HB2 PHE 69 HB2 PHE 69 -2.769 -23.040 8.468 512 HB3 PHE 69 HB3 PHE 69 -3.826 -21.734 8.986 513 HD1 PHE 69 HD1 PHE 69 -0.352 -22.273 7.628 514 HD2 PHE 69 HD2 PHE 69 -3.768 -19.717 7.758 515 HE1 PHE 69 HE1 PHE 69 0.656 -20.836 5.910 516 HE2 PHE 69 HE2 PHE 69 -2.744 -18.280 6.044 517 HZ PHE 69 HZ PHE 69 -0.539 -18.839 5.117 518 H GLY 70 H GLY 70 -2.463 -24.512 9.819 519 HA2 GLY 70 HA2 GLY 70 -3.381 -26.307 10.971 520 HA3 GLY 70 HA3 GLY 70 -3.750 -25.253 12.335 521 H ASP 71 H ASP 71 -5.755 -26.867 11.763 522 HA ASP 71 HA ASP 71 -7.389 -26.170 9.541 523 HB2 ASP 71 HB2 ASP 71 -7.503 -28.389 10.565 524 HB3 ASP 71 HB3 ASP 71 -8.059 -27.694 12.084 525 H ARG 72 H ARG 72 -7.471 -25.109 12.967 526 HA ARG 72 HA ARG 72 -10.076 -23.846 12.736 527 HB2 ARG 72 HB2 ARG 72 -8.033 -23.581 14.980 528 HB3 ARG 72 HB3 ARG 72 -9.718 -23.060 15.043 529 HG2 ARG 72 HG2 ARG 72 -10.388 -25.480 14.697 530 HG3 ARG 72 HG3 ARG 72 -8.682 -25.913 14.871 531 HD2 ARG 72 HD2 ARG 72 -10.467 -24.600 16.953 532 HD3 ARG 72 HD3 ARG 72 -9.798 -26.234 17.002 533 HE ARG 72 HE ARG 72 -7.581 -24.661 16.877 534 HH11 ARG 72 HH11 ARG 72 -10.348 -24.651 19.058 535 HH12 ARG 72 HH12 ARG 72 -9.427 -24.047 20.397 536 HH21 ARG 72 HH21 ARG 72 -6.418 -23.862 18.643 537 HH22 ARG 72 HH22 ARG 72 -7.209 -23.600 20.163 538 H LEU 73 H LEU 73 -6.716 -22.706 12.752 539 HA LEU 73 HA LEU 73 -7.206 -19.912 12.581 540 HB2 LEU 73 HB2 LEU 73 -4.992 -21.157 13.017 541 HB3 LEU 73 HB3 LEU 73 -4.904 -21.448 11.299 542 HG LEU 73 HG LEU 73 -3.399 -19.641 12.042 543 HD11 LEU 73 HD11 LEU 73 -4.123 -19.508 9.750 544 HD12 LEU 73 HD12 LEU 73 -3.956 -17.888 10.420 545 HD13 LEU 73 HD13 LEU 73 -5.565 -18.597 10.210 546 HD21 LEU 73 HD21 LEU 73 -5.879 -18.115 12.839 547 HD22 LEU 73 HD22 LEU 73 -4.217 -17.512 12.852 548 HD23 LEU 73 HD23 LEU 73 -4.683 -18.824 13.929 549 H CYS 74 H CYS 74 -6.686 -22.426 10.134 550 HA CYS 74 HA CYS 74 -7.159 -20.852 7.834 551 HB2 CYS 74 HB2 CYS 74 -5.981 -22.964 7.643 552 HB3 CYS 74 HB3 CYS 74 -7.380 -23.856 8.240 553 HG CYS 74 HG CYS 74 -8.970 -23.134 6.015 554 H ARG 75 H ARG 75 -9.363 -22.469 10.043 555 HA ARG 75 HA ARG 75 -11.721 -22.460 8.479 556 HB2 ARG 75 HB2 ARG 75 -11.660 -23.711 10.559 557 HB3 ARG 75 HB3 ARG 75 -11.314 -22.266 11.488 558 HG2 ARG 75 HG2 ARG 75 -13.599 -22.915 11.883 559 HG3 ARG 75 HG3 ARG 75 -13.591 -21.400 10.986 560 HD2 ARG 75 HD2 ARG 75 -14.119 -22.632 8.905 561 HD3 ARG 75 HD3 ARG 75 -14.115 -24.157 9.806 562 HE ARG 75 HE ARG 75 -15.907 -22.224 10.928 563 HH11 ARG 75 HH11 ARG 75 -15.730 -24.621 8.360 564 HH12 ARG 75 HH12 ARG 75 -17.449 -24.837 8.298 565 HH21 ARG 75 HH21 ARG 75 -18.127 -22.478 10.796 566 HH22 ARG 75 HH22 ARG 75 -18.806 -23.605 9.663 567 H MET 76 H MET 76 -10.323 -20.013 10.697 568 HA MET 76 HA MET 76 -12.195 -17.952 10.360 569 HB2 MET 76 HB2 MET 76 -9.177 -17.682 10.717 570 HB3 MET 76 HB3 MET 76 -10.355 -16.397 10.987 571 HG2 MET 76 HG2 MET 76 -10.202 -18.987 12.549 572 HG3 MET 76 HG3 MET 76 -9.586 -17.427 13.085 573 HE1 MET 76 HE1 MET 76 -11.900 -15.403 12.080 574 HE2 MET 76 HE2 MET 76 -11.183 -15.321 13.691 575 HE3 MET 76 HE3 MET 76 -12.936 -15.366 13.506 576 H LEU 77 H LEU 77 -9.232 -18.639 8.490 577 HA LEU 77 HA LEU 77 -9.457 -16.571 6.585 578 HB2 LEU 77 HB2 LEU 77 -7.985 -19.208 6.638 579 HB3 LEU 77 HB3 LEU 77 -7.990 -18.262 5.160 580 HG LEU 77 HG LEU 77 -6.939 -16.364 6.345 581 HD11 LEU 77 HD11 LEU 77 -6.778 -18.201 8.751 582 HD12 LEU 77 HD12 LEU 77 -7.780 -16.753 8.621 583 HD13 LEU 77 HD13 LEU 77 -6.026 -16.613 8.599 584 HD21 LEU 77 HD21 LEU 77 -4.714 -17.344 6.591 585 HD22 LEU 77 HD22 LEU 77 -5.537 -18.023 5.189 586 HD23 LEU 77 HD23 LEU 77 -5.413 -18.963 6.678 587 H ASP 78 H ASP 78 -10.776 -19.857 6.518 588 HA ASP 78 HA ASP 78 -11.439 -19.849 3.715 589 HB2 ASP 78 HB2 ASP 78 -10.849 -21.943 5.020 590 HB3 ASP 78 HB3 ASP 78 -12.380 -21.799 5.875 591 H GLU 79 H GLU 79 -13.223 -19.509 6.755 592 HA GLU 79 HA GLU 79 -15.822 -19.171 5.765 593 HB2 GLU 79 HB2 GLU 79 -14.482 -18.079 8.259 594 HB3 GLU 79 HB3 GLU 79 -16.182 -17.787 7.901 595 HG2 GLU 79 HG2 GLU 79 -14.876 -20.494 8.322 596 HG3 GLU 79 HG3 GLU 79 -15.917 -19.639 9.448 597 H LYS 80 H LYS 80 -13.290 -16.763 6.450 598 HA LYS 80 HA LYS 80 -14.744 -14.471 5.660 599 HB2 LYS 80 HB2 LYS 80 -11.777 -15.015 5.991 600 HB3 LYS 80 HB3 LYS 80 -12.369 -13.432 5.489 601 HG2 LYS 80 HG2 LYS 80 -13.161 -14.845 8.060 602 HG3 LYS 80 HG3 LYS 80 -11.925 -13.595 7.938 603 HD2 LYS 80 HD2 LYS 80 -14.884 -13.244 7.312 604 HD3 LYS 80 HD3 LYS 80 -14.058 -12.685 8.767 605 HE2 LYS 80 HE2 LYS 80 -12.690 -11.143 7.422 606 HE3 LYS 80 HE3 LYS 80 -13.459 -11.727 5.942 607 HZ1 LYS 80 HZ1 LYS 80 -15.570 -10.890 6.746 608 HZ2 LYS 80 HZ2 LYS 80 -14.417 -9.652 6.709 609 HZ3 LYS 80 HZ3 LYS 80 -14.845 -10.361 8.180 610 H LEU 81 H LEU 81 -12.486 -16.548 3.852 611 HA LEU 81 HA LEU 81 -12.374 -15.122 1.437 612 HB2 LEU 81 HB2 LEU 81 -10.992 -17.179 2.218 613 HB3 LEU 81 HB3 LEU 81 -12.319 -18.164 1.650 614 HG LEU 81 HG LEU 81 -10.303 -18.001 0.112 615 HD11 LEU 81 HD11 LEU 81 -12.408 -18.794 -0.782 616 HD12 LEU 81 HD12 LEU 81 -11.544 -17.838 -1.984 617 HD13 LEU 81 HD13 LEU 81 -12.924 -17.141 -1.124 618 HD21 LEU 81 HD21 LEU 81 -11.275 -15.176 -0.387 619 HD22 LEU 81 HD22 LEU 81 -9.989 -16.013 -1.264 620 HD23 LEU 81 HD23 LEU 81 -9.786 -15.635 0.444 621 H LYS 82 H LYS 82 -14.555 -17.676 2.534 622 HA LYS 82 HA LYS 82 -16.298 -17.795 0.319 623 HB2 LYS 82 HB2 LYS 82 -16.142 -19.624 1.878 624 HB3 LYS 82 HB3 LYS 82 -16.573 -18.607 3.237 625 HG2 LYS 82 HG2 LYS 82 -18.601 -18.997 1.045 626 HG3 LYS 82 HG3 LYS 82 -18.290 -20.340 2.147 627 HD2 LYS 82 HD2 LYS 82 -19.272 -17.553 2.906 628 HD3 LYS 82 HD3 LYS 82 -20.218 -19.044 2.924 629 HE2 LYS 82 HE2 LYS 82 -17.854 -18.379 4.728 630 HE3 LYS 82 HE3 LYS 82 -19.552 -18.445 5.200 631 HZ1 LYS 82 HZ1 LYS 82 -19.559 -20.812 4.671 632 HZ2 LYS 82 HZ2 LYS 82 -18.405 -20.448 5.855 633 HZ3 LYS 82 HZ3 LYS 82 -17.920 -20.741 4.264 634 H GLN 83 H GLN 83 -16.292 -15.693 3.194 635 HA GLN 83 HA GLN 83 -18.953 -14.643 2.831 636 HB2 GLN 83 HB2 GLN 83 -16.558 -13.673 4.449 637 HB3 GLN 83 HB3 GLN 83 -18.114 -12.845 4.453 638 HG2 GLN 83 HG2 GLN 83 -17.813 -15.752 5.232 639 HG3 GLN 83 HG3 GLN 83 -17.659 -14.437 6.382 640 HE21 GLN 83 HE21 GLN 83 -19.626 -16.622 6.259 641 HE22 GLN 83 HE22 GLN 83 -21.177 -15.865 6.239 642 H HIS 84 H HIS 84 -15.726 -13.791 1.800 643 HA HIS 84 HA HIS 84 -16.220 -11.186 0.773 644 HB2 HIS 84 HB2 HIS 84 -13.950 -12.292 1.410 645 HB3 HIS 84 HB3 HIS 84 -14.015 -13.092 -0.154 646 HD1 HIS 84 HD1 HIS 84 -12.951 -11.814 -2.027 647 HD2 HIS 84 HD2 HIS 84 -14.015 -9.345 1.141 648 HE1 HIS 84 HE1 HIS 84 -12.051 -9.538 -2.615 649 HE2 HIS 84 HE2 HIS 84 -12.848 -8.037 -0.761 650 H LEU 85 H LEU 85 -16.241 -14.458 -0.598 651 HA LEU 85 HA LEU 85 -16.851 -13.830 -3.309 652 HB2 LEU 85 HB2 LEU 85 -17.503 -16.351 -1.728 653 HB3 LEU 85 HB3 LEU 85 -17.600 -16.210 -3.478 654 HG LEU 85 HG LEU 85 -15.055 -16.072 -1.813 655 HD11 LEU 85 HD11 LEU 85 -14.472 -18.205 -2.863 656 HD12 LEU 85 HD12 LEU 85 -16.025 -18.237 -3.702 657 HD13 LEU 85 HD13 LEU 85 -15.967 -18.336 -1.940 658 HD21 LEU 85 HD21 LEU 85 -13.834 -16.043 -3.957 659 HD22 LEU 85 HD22 LEU 85 -14.831 -14.607 -3.751 660 HD23 LEU 85 HD23 LEU 85 -15.364 -15.899 -4.831 661 H ALA 86 H ALA 86 -18.870 -14.670 -0.509 662 HA ALA 86 HA ALA 86 -21.376 -14.744 -1.879 663 HB1 ALA 86 HB1 ALA 86 -22.364 -15.003 0.360 664 HB2 ALA 86 HB2 ALA 86 -20.833 -14.529 1.106 665 HB3 ALA 86 HB3 ALA 86 -20.938 -16.033 0.191 666 H SER 87 H SER 87 -19.503 -12.168 -0.547 667 HA SER 87 HA SER 87 -21.730 -10.315 -0.199 668 HB2 SER 87 HB2 SER 87 -19.882 -10.238 1.405 669 HB3 SER 87 HB3 SER 87 -18.714 -9.958 0.112 670 HG SER 87 HG SER 87 -19.105 -7.972 0.751 671 H GLY 88 H GLY 88 -18.660 -10.211 -2.082 672 HA2 GLY 88 HA2 GLY 88 -18.300 -9.536 -4.286 673 HA3 GLY 88 HA3 GLY 88 -19.990 -9.076 -4.432 674 H GLY 89 H GLY 89 -20.389 -7.286 -2.446 675 HA2 GLY 89 HA2 GLY 89 -19.091 -4.881 -3.264 676 HA3 GLY 89 HA3 GLY 89 -20.184 -5.073 -1.898 677 H ASP 90 H ASP 90 -19.198 -6.263 0.027 678 HA ASP 90 HA ASP 90 -16.673 -5.097 0.806 679 HB2 ASP 90 HB2 ASP 90 -18.598 -6.993 2.210 680 HB3 ASP 90 HB3 ASP 90 -17.036 -6.589 2.913 Start of MODEL 19 1 H ARG 11 H ARG 11 7.992 0.298 4.075 2 HA ARG 11 HA ARG 11 7.670 -1.826 5.121 3 HB2 ARG 11 HB2 ARG 11 4.970 -0.635 5.881 4 HB3 ARG 11 HB3 ARG 11 5.319 -2.359 5.967 5 HG2 ARG 11 HG2 ARG 11 6.849 -0.233 7.514 6 HG3 ARG 11 HG3 ARG 11 5.493 -1.165 8.162 7 HD2 ARG 11 HD2 ARG 11 8.121 -2.329 7.160 8 HD3 ARG 11 HD3 ARG 11 7.674 -2.112 8.854 9 HE ARG 11 HE ARG 11 5.656 -3.644 8.020 10 HH11 ARG 11 HH11 ARG 11 9.114 -4.060 7.469 11 HH12 ARG 11 HH12 ARG 11 9.007 -5.788 7.369 12 HH21 ARG 11 HH21 ARG 11 5.542 -5.909 7.871 13 HH22 ARG 11 HH22 ARG 11 6.982 -6.833 7.582 14 HA PRO 12 HA PRO 12 5.961 -2.147 0.832 15 HB2 PRO 12 HB2 PRO 12 7.908 -4.354 0.500 16 HB3 PRO 12 HB3 PRO 12 7.794 -2.834 -0.392 17 HG2 PRO 12 HG2 PRO 12 9.831 -3.365 1.338 18 HG3 PRO 12 HG3 PRO 12 9.227 -1.719 1.055 19 HD2 PRO 12 HD2 PRO 12 8.598 -3.604 3.337 20 HD3 PRO 12 HD3 PRO 12 8.978 -1.864 3.382 21 H LEU 13 H LEU 13 4.000 -2.929 1.759 22 HA LEU 13 HA LEU 13 3.797 -5.872 2.046 23 HB2 LEU 13 HB2 LEU 13 2.293 -3.720 3.594 24 HB3 LEU 13 HB3 LEU 13 1.827 -5.415 3.594 25 HG LEU 13 HG LEU 13 4.403 -4.244 4.721 26 HD11 LEU 13 HD11 LEU 13 2.452 -3.857 6.132 27 HD12 LEU 13 HD12 LEU 13 3.544 -5.015 6.884 28 HD13 LEU 13 HD13 LEU 13 2.058 -5.579 6.110 29 HD21 LEU 13 HD21 LEU 13 3.568 -7.168 4.575 30 HD22 LEU 13 HD22 LEU 13 4.947 -6.542 5.485 31 HD23 LEU 13 HD23 LEU 13 4.923 -6.414 3.730 32 HA PRO 14 HA PRO 14 0.719 -5.669 -1.248 33 HB2 PRO 14 HB2 PRO 14 -0.721 -7.949 -0.636 34 HB3 PRO 14 HB3 PRO 14 0.842 -7.960 -1.463 35 HG2 PRO 14 HG2 PRO 14 0.232 -8.395 1.453 36 HG3 PRO 14 HG3 PRO 14 1.327 -9.309 0.394 37 HD2 PRO 14 HD2 PRO 14 2.259 -7.464 2.120 38 HD3 PRO 14 HD3 PRO 14 3.009 -7.689 0.524 39 H VAL 15 H VAL 15 -0.288 -3.776 -0.571 40 HA VAL 15 HA VAL 15 -2.653 -3.935 1.168 41 HB VAL 15 HB VAL 15 -2.746 -1.463 0.976 42 HG11 VAL 15 HG11 VAL 15 -1.385 -2.463 2.774 43 HG12 VAL 15 HG12 VAL 15 -0.665 -0.948 2.227 44 HG13 VAL 15 HG13 VAL 15 0.029 -2.490 1.714 45 HG21 VAL 15 HG21 VAL 15 -1.892 -1.176 -1.317 46 HG22 VAL 15 HG22 VAL 15 -0.290 -1.720 -0.812 47 HG23 VAL 15 HG23 VAL 15 -0.942 -0.201 -0.189 48 H CYS 16 H CYS 16 -2.101 -4.791 -1.867 49 HA CYS 16 HA CYS 16 -4.290 -3.669 -3.323 50 HB2 CYS 16 HB2 CYS 16 -2.686 -6.225 -3.782 51 HB3 CYS 16 HB3 CYS 16 -3.786 -5.494 -4.952 52 HG CYS 16 HG CYS 16 -1.193 -4.971 -5.782 53 HA PRO 17 HA PRO 17 -7.548 -6.272 -1.600 54 HB2 PRO 17 HB2 PRO 17 -9.523 -5.931 -3.401 55 HB3 PRO 17 HB3 PRO 17 -8.919 -4.573 -2.436 56 HG2 PRO 17 HG2 PRO 17 -8.217 -5.338 -5.273 57 HG3 PRO 17 HG3 PRO 17 -8.650 -3.740 -4.628 58 HD2 PRO 17 HD2 PRO 17 -6.053 -4.532 -5.025 59 HD3 PRO 17 HD3 PRO 17 -6.526 -3.366 -3.771 60 H ASN 18 H ASN 18 -5.869 -7.240 -4.415 61 HA ASN 18 HA ASN 18 -7.453 -9.545 -5.100 62 HB2 ASN 18 HB2 ASN 18 -4.647 -8.730 -5.934 63 HB3 ASN 18 HB3 ASN 18 -5.405 -10.215 -6.486 64 HD21 ASN 18 HD21 ASN 18 -7.019 -10.119 -8.043 65 HD22 ASN 18 HD22 ASN 18 -7.447 -8.663 -8.869 66 HA PRO 19 HA PRO 19 -4.347 -12.124 -2.495 67 HB2 PRO 19 HB2 PRO 19 -2.224 -11.090 -1.200 68 HB3 PRO 19 HB3 PRO 19 -2.163 -11.390 -2.942 69 HG2 PRO 19 HG2 PRO 19 -2.627 -8.796 -1.478 70 HG3 PRO 19 HG3 PRO 19 -1.600 -9.114 -2.893 71 HD2 PRO 19 HD2 PRO 19 -4.171 -8.062 -3.045 72 HD3 PRO 19 HD3 PRO 19 -3.374 -8.936 -4.370 73 H LEU 20 H LEU 20 -6.378 -12.064 -1.387 74 HA LEU 20 HA LEU 20 -7.070 -10.311 0.708 75 HB2 LEU 20 HB2 LEU 20 -8.102 -13.074 -0.024 76 HB3 LEU 20 HB3 LEU 20 -8.825 -12.089 1.242 77 HG LEU 20 HG LEU 20 -8.672 -11.323 -1.705 78 HD11 LEU 20 HD11 LEU 20 -11.063 -12.227 -0.070 79 HD12 LEU 20 HD12 LEU 20 -10.253 -13.150 -1.339 80 HD13 LEU 20 HD13 LEU 20 -11.100 -11.661 -1.744 81 HD21 LEU 20 HD21 LEU 20 -10.137 -9.441 -1.102 82 HD22 LEU 20 HD22 LEU 20 -8.588 -9.345 -0.270 83 HD23 LEU 20 HD23 LEU 20 -10.025 -9.886 0.604 84 H PHE 21 H PHE 21 -5.655 -13.580 0.807 85 HA PHE 21 HA PHE 21 -6.056 -14.084 3.538 86 HB2 PHE 21 HB2 PHE 21 -4.332 -15.300 1.388 87 HB3 PHE 21 HB3 PHE 21 -4.044 -15.784 3.056 88 HD1 PHE 21 HD1 PHE 21 -7.481 -14.927 2.116 89 HD2 PHE 21 HD2 PHE 21 -4.631 -18.103 2.408 90 HE1 PHE 21 HE1 PHE 21 -9.292 -16.570 2.063 91 HE2 PHE 21 HE2 PHE 21 -6.463 -19.729 2.356 92 HZ PHE 21 HZ PHE 21 -8.794 -18.973 2.192 93 H VAL 22 H VAL 22 -3.125 -12.867 1.918 94 HA VAL 22 HA VAL 22 -1.499 -12.867 4.228 95 HB VAL 22 HB VAL 22 -0.470 -12.871 2.047 96 HG11 VAL 22 HG11 VAL 22 -1.629 -10.108 1.570 97 HG12 VAL 22 HG12 VAL 22 -2.124 -11.596 0.765 98 HG13 VAL 22 HG13 VAL 22 -0.503 -10.956 0.502 99 HG21 VAL 22 HG21 VAL 22 0.849 -11.875 3.867 100 HG22 VAL 22 HG22 VAL 22 0.205 -10.277 3.477 101 HG23 VAL 22 HG23 VAL 22 1.240 -11.117 2.321 102 H ARG 23 H ARG 23 -3.418 -10.253 2.695 103 HA ARG 23 HA ARG 23 -2.585 -8.213 4.501 104 HB2 ARG 23 HB2 ARG 23 -4.308 -6.810 3.528 105 HB3 ARG 23 HB3 ARG 23 -3.509 -7.709 2.244 106 HG2 ARG 23 HG2 ARG 23 -5.413 -9.217 2.050 107 HG3 ARG 23 HG3 ARG 23 -6.203 -8.460 3.438 108 HD2 ARG 23 HD2 ARG 23 -5.585 -7.117 0.780 109 HD3 ARG 23 HD3 ARG 23 -7.175 -7.674 1.320 110 HE ARG 23 HE ARG 23 -6.635 -6.020 3.297 111 HH11 ARG 23 HH11 ARG 23 -5.988 -5.452 -0.112 112 HH12 ARG 23 HH12 ARG 23 -6.181 -3.734 0.016 113 HH21 ARG 23 HH21 ARG 23 -6.872 -3.779 3.457 114 HH22 ARG 23 HH22 ARG 23 -6.696 -2.783 2.050 115 H TRP 24 H TRP 24 -5.157 -10.608 4.572 116 HA TRP 24 HA TRP 24 -6.640 -9.508 6.740 117 HB2 TRP 24 HB2 TRP 24 -6.530 -12.285 5.528 118 HB3 TRP 24 HB3 TRP 24 -7.502 -11.949 6.956 119 HD1 TRP 24 HD1 TRP 24 -8.087 -8.880 5.375 120 HE1 TRP 24 HE1 TRP 24 -10.096 -8.903 3.796 121 HE3 TRP 24 HE3 TRP 24 -8.603 -13.933 4.764 122 HZ2 TRP 24 HZ2 TRP 24 -11.701 -10.766 2.470 123 HZ3 TRP 24 HZ3 TRP 24 -10.415 -14.749 3.320 124 HH2 TRP 24 HH2 TRP 24 -11.935 -13.192 2.195 125 H LEU 25 H LEU 25 -4.082 -12.015 6.607 126 HA LEU 25 HA LEU 25 -4.008 -12.516 9.399 127 HB2 LEU 25 HB2 LEU 25 -1.847 -12.877 7.288 128 HB3 LEU 25 HB3 LEU 25 -1.752 -13.520 8.924 129 HG LEU 25 HG LEU 25 -3.857 -14.295 6.859 130 HD11 LEU 25 HD11 LEU 25 -1.477 -15.896 7.840 131 HD12 LEU 25 HD12 LEU 25 -1.665 -15.175 6.238 132 HD13 LEU 25 HD13 LEU 25 -2.745 -16.469 6.751 133 HD21 LEU 25 HD21 LEU 25 -4.744 -14.412 9.132 134 HD22 LEU 25 HD22 LEU 25 -3.372 -15.397 9.646 135 HD23 LEU 25 HD23 LEU 25 -4.527 -16.033 8.471 136 H THR 26 H THR 26 -2.580 -10.010 7.411 137 HA THR 26 HA THR 26 -0.759 -8.937 9.339 138 HB THR 26 HB THR 26 -2.023 -7.530 6.940 139 HG1 THR 26 HG1 THR 26 -0.689 -9.550 6.625 140 HG21 THR 26 HG21 THR 26 0.536 -6.888 8.460 141 HG22 THR 26 HG22 THR 26 -0.958 -5.950 8.532 142 HG23 THR 26 HG23 THR 26 -0.051 -6.049 7.022 143 H GLU 27 H GLU 27 -4.086 -8.023 8.310 144 HA GLU 27 HA GLU 27 -4.208 -5.717 10.020 145 HB2 GLU 27 HB2 GLU 27 -6.504 -5.439 9.236 146 HB3 GLU 27 HB3 GLU 27 -5.460 -5.827 7.873 147 HG2 GLU 27 HG2 GLU 27 -6.250 -8.201 8.017 148 HG3 GLU 27 HG3 GLU 27 -7.369 -7.718 9.287 149 H TRP 28 H TRP 28 -5.337 -9.066 10.286 150 HA TRP 28 HA TRP 28 -6.941 -8.672 12.628 151 HB2 TRP 28 HB2 TRP 28 -5.764 -11.248 11.500 152 HB3 TRP 28 HB3 TRP 28 -6.934 -11.168 12.811 153 HD1 TRP 28 HD1 TRP 28 -8.616 -8.781 10.995 154 HE1 TRP 28 HE1 TRP 28 -10.204 -9.704 9.202 155 HE3 TRP 28 HE3 TRP 28 -6.722 -13.521 10.595 156 HZ2 TRP 28 HZ2 TRP 28 -10.618 -12.118 7.807 157 HZ3 TRP 28 HZ3 TRP 28 -7.782 -15.080 9.013 158 HH2 TRP 28 HH2 TRP 28 -9.692 -14.391 7.649 159 H ARG 29 H ARG 29 -3.581 -9.666 12.007 160 HA ARG 29 HA ARG 29 -2.799 -10.110 14.711 161 HB2 ARG 29 HB2 ARG 29 -1.458 -10.899 12.789 162 HB3 ARG 29 HB3 ARG 29 -1.160 -9.237 12.297 163 HG2 ARG 29 HG2 ARG 29 0.096 -8.878 14.430 164 HG3 ARG 29 HG3 ARG 29 -0.128 -10.587 14.814 165 HD2 ARG 29 HD2 ARG 29 1.211 -11.255 12.921 166 HD3 ARG 29 HD3 ARG 29 1.257 -9.605 12.290 167 HE ARG 29 HE ARG 29 2.775 -10.679 14.562 168 HH11 ARG 29 HH11 ARG 29 2.033 -7.875 12.562 169 HH12 ARG 29 HH12 ARG 29 3.394 -6.963 13.130 170 HH21 ARG 29 HH21 ARG 29 4.540 -9.451 15.321 171 HH22 ARG 29 HH22 ARG 29 4.816 -7.862 14.685 172 H ASP 30 H ASP 30 -3.011 -7.210 12.706 173 HA ASP 30 HA ASP 30 -1.693 -5.410 14.521 174 HB2 ASP 30 HB2 ASP 30 -1.777 -4.909 12.110 175 HB3 ASP 30 HB3 ASP 30 -3.537 -4.860 12.156 176 H GLU 31 H GLU 31 -5.053 -6.321 13.909 177 HA GLU 31 HA GLU 31 -6.261 -4.619 15.865 178 HB2 GLU 31 HB2 GLU 31 -7.242 -7.180 14.535 179 HB3 GLU 31 HB3 GLU 31 -8.230 -6.226 15.640 180 HG2 GLU 31 HG2 GLU 31 -8.147 -4.317 14.118 181 HG3 GLU 31 HG3 GLU 31 -7.078 -5.201 13.027 182 H ALA 32 H ALA 32 -4.738 -7.761 15.898 183 HA ALA 32 HA ALA 32 -5.551 -8.494 18.548 184 HB1 ALA 32 HB1 ALA 32 -3.248 -9.544 16.870 185 HB2 ALA 32 HB2 ALA 32 -4.904 -10.151 16.831 186 HB3 ALA 32 HB3 ALA 32 -3.942 -10.318 18.300 187 H ALA 33 H ALA 33 -2.999 -6.563 17.188 188 HA ALA 33 HA ALA 33 -1.422 -6.347 19.604 189 HB1 ALA 33 HB1 ALA 33 -0.395 -6.049 17.391 190 HB2 ALA 33 HB2 ALA 33 -0.222 -4.581 18.356 191 HB3 ALA 33 HB3 ALA 33 -1.436 -4.660 17.072 192 H SER 34 H SER 34 -3.904 -4.441 17.919 193 HA SER 34 HA SER 34 -3.749 -2.157 19.682 194 HB2 SER 34 HB2 SER 34 -4.316 -1.958 17.260 195 HB3 SER 34 HB3 SER 34 -5.810 -2.844 17.530 196 HG SER 34 HG SER 34 -5.096 -0.316 18.609 197 H ARG 35 H ARG 35 -6.437 -4.405 18.918 198 HA ARG 35 HA ARG 35 -8.014 -3.697 21.201 199 HB2 ARG 35 HB2 ARG 35 -8.732 -4.648 18.841 200 HB3 ARG 35 HB3 ARG 35 -8.443 -6.227 19.557 201 HG2 ARG 35 HG2 ARG 35 -10.362 -4.171 20.722 202 HG3 ARG 35 HG3 ARG 35 -10.856 -5.387 19.549 203 HD2 ARG 35 HD2 ARG 35 -10.498 -7.163 21.094 204 HD3 ARG 35 HD3 ARG 35 -9.575 -6.131 22.193 205 HE ARG 35 HE ARG 35 -12.097 -4.992 21.996 206 HH11 ARG 35 HH11 ARG 35 -10.921 -8.134 23.044 207 HH12 ARG 35 HH12 ARG 35 -12.076 -8.255 24.331 208 HH21 ARG 35 HH21 ARG 35 -13.575 -5.166 23.696 209 HH22 ARG 35 HH22 ARG 35 -13.578 -6.578 24.701 210 H GLY 36 H GLY 36 -6.322 -6.720 20.260 211 HA2 GLY 36 HA2 GLY 36 -4.854 -7.833 21.870 212 HA3 GLY 36 HA3 GLY 36 -6.002 -7.436 23.139 213 H ARG 37 H ARG 37 -5.701 -9.251 20.102 214 HA ARG 37 HA ARG 37 -7.762 -11.191 20.897 215 HB2 ARG 37 HB2 ARG 37 -6.089 -11.123 18.337 216 HB3 ARG 37 HB3 ARG 37 -7.469 -12.167 18.644 217 HG2 ARG 37 HG2 ARG 37 -7.613 -9.136 18.458 218 HG3 ARG 37 HG3 ARG 37 -7.937 -10.231 17.113 219 HD2 ARG 37 HD2 ARG 37 -9.816 -11.215 18.370 220 HD3 ARG 37 HD3 ARG 37 -9.480 -10.133 19.726 221 HE ARG 37 HE ARG 37 -9.922 -8.717 17.270 222 HH11 ARG 37 HH11 ARG 37 -11.593 -10.195 19.983 223 HH12 ARG 37 HH12 ARG 37 -13.050 -9.294 19.728 224 HH21 ARG 37 HH21 ARG 37 -11.807 -7.530 16.962 225 HH22 ARG 37 HH22 ARG 37 -13.176 -7.771 17.998 226 H HIS 38 H HIS 38 -7.273 -13.380 21.242 227 HA HIS 38 HA HIS 38 -4.739 -13.991 22.459 228 HB2 HIS 38 HB2 HIS 38 -7.018 -15.874 21.701 229 HB3 HIS 38 HB3 HIS 38 -5.695 -16.251 22.801 230 HD1 HIS 38 HD1 HIS 38 -6.315 -16.018 25.201 231 HD2 HIS 38 HD2 HIS 38 -8.657 -13.595 22.766 232 HE1 HIS 38 HE1 HIS 38 -7.968 -14.917 26.743 233 HE2 HIS 38 HE2 HIS 38 -9.450 -13.553 25.231 234 H THR 39 H THR 39 -6.256 -14.538 19.377 235 HA THR 39 HA THR 39 -4.533 -16.628 18.434 236 HB THR 39 HB THR 39 -5.835 -16.111 16.229 237 HG1 THR 39 HG1 THR 39 -7.644 -14.793 16.500 238 HG21 THR 39 HG21 THR 39 -7.896 -17.194 17.053 239 HG22 THR 39 HG22 THR 39 -7.402 -16.892 18.721 240 HG23 THR 39 HG23 THR 39 -6.462 -17.990 17.705 241 H ARG 40 H ARG 40 -3.568 -13.603 18.959 242 HA ARG 40 HA ARG 40 -2.563 -12.495 16.612 243 HB2 ARG 40 HB2 ARG 40 -2.563 -11.385 18.845 244 HB3 ARG 40 HB3 ARG 40 -1.262 -12.450 19.366 245 HG2 ARG 40 HG2 ARG 40 0.266 -11.467 17.737 246 HG3 ARG 40 HG3 ARG 40 -1.035 -10.487 17.051 247 HD2 ARG 40 HD2 ARG 40 0.415 -9.173 18.543 248 HD3 ARG 40 HD3 ARG 40 -1.244 -9.243 19.147 249 HE ARG 40 HE ARG 40 0.671 -11.190 20.206 250 HH11 ARG 40 HH11 ARG 40 -1.126 -8.225 20.785 251 HH12 ARG 40 HH12 ARG 40 -0.787 -8.210 22.482 252 HH21 ARG 40 HH21 ARG 40 1.088 -11.174 22.431 253 HH22 ARG 40 HH22 ARG 40 0.468 -9.891 23.416 254 H PHE 41 H PHE 41 -1.210 -15.017 18.648 255 HA PHE 41 HA PHE 41 1.394 -15.127 17.528 256 HB2 PHE 41 HB2 PHE 41 -0.160 -17.162 19.178 257 HB3 PHE 41 HB3 PHE 41 1.536 -17.346 18.749 258 HD1 PHE 41 HD1 PHE 41 -0.791 -14.953 20.492 259 HD2 PHE 41 HD2 PHE 41 3.189 -16.498 20.210 260 HE1 PHE 41 HE1 PHE 41 -0.142 -13.666 22.486 261 HE2 PHE 41 HE2 PHE 41 3.826 -15.202 22.203 262 HZ PHE 41 HZ PHE 41 2.163 -13.786 23.341 263 H VAL 42 H VAL 42 -1.586 -17.009 16.882 264 HA VAL 42 HA VAL 42 -0.290 -18.673 14.914 265 HB VAL 42 HB VAL 42 -2.252 -19.472 16.280 266 HG11 VAL 42 HG11 VAL 42 -4.550 -18.952 15.568 267 HG12 VAL 42 HG12 VAL 42 -3.931 -17.761 14.425 268 HG13 VAL 42 HG13 VAL 42 -3.715 -17.510 16.157 269 HG21 VAL 42 HG21 VAL 42 -2.547 -19.722 13.266 270 HG22 VAL 42 HG22 VAL 42 -3.273 -20.804 14.459 271 HG23 VAL 42 HG23 VAL 42 -1.517 -20.714 14.301 272 H PHE 43 H PHE 43 -2.126 -15.646 14.838 273 HA PHE 43 HA PHE 43 -2.446 -15.385 12.021 274 HB2 PHE 43 HB2 PHE 43 -2.117 -13.233 14.161 275 HB3 PHE 43 HB3 PHE 43 -2.461 -12.865 12.477 276 HD1 PHE 43 HD1 PHE 43 -4.487 -15.195 12.068 277 HD2 PHE 43 HD2 PHE 43 -4.081 -12.189 15.083 278 HE1 PHE 43 HE1 PHE 43 -6.904 -15.297 12.503 279 HE2 PHE 43 HE2 PHE 43 -6.501 -12.305 15.516 280 HZ PHE 43 HZ PHE 43 -7.911 -13.860 14.227 281 H GLN 44 H GLN 44 0.186 -14.600 14.240 282 HA GLN 44 HA GLN 44 1.889 -13.176 12.486 283 HB2 GLN 44 HB2 GLN 44 2.253 -12.916 14.829 284 HB3 GLN 44 HB3 GLN 44 2.320 -14.647 15.104 285 HG2 GLN 44 HG2 GLN 44 4.513 -13.647 15.389 286 HG3 GLN 44 HG3 GLN 44 4.518 -14.755 14.022 287 HE21 GLN 44 HE21 GLN 44 4.767 -11.428 15.020 288 HE22 GLN 44 HE22 GLN 44 5.328 -10.805 13.506 289 H LYS 45 H LYS 45 2.033 -16.587 13.594 290 HA LYS 45 HA LYS 45 4.340 -17.186 12.024 291 HB2 LYS 45 HB2 LYS 45 4.024 -19.512 12.736 292 HB3 LYS 45 HB3 LYS 45 3.885 -18.395 14.089 293 HG2 LYS 45 HG2 LYS 45 1.402 -18.585 13.951 294 HG3 LYS 45 HG3 LYS 45 1.592 -19.766 12.653 295 HD2 LYS 45 HD2 LYS 45 1.183 -20.893 14.794 296 HD3 LYS 45 HD3 LYS 45 2.797 -21.281 14.193 297 HE2 LYS 45 HE2 LYS 45 3.786 -19.657 15.758 298 HE3 LYS 45 HE3 LYS 45 2.180 -19.186 16.319 299 HZ1 LYS 45 HZ1 LYS 45 3.351 -21.902 16.587 300 HZ2 LYS 45 HZ2 LYS 45 1.855 -21.390 17.185 301 HZ3 LYS 45 HZ3 LYS 45 3.283 -20.741 17.812 302 H ALA 46 H ALA 46 0.888 -17.499 11.456 303 HA ALA 46 HA ALA 46 1.048 -19.017 9.032 304 HB1 ALA 46 HB1 ALA 46 -1.127 -17.139 10.011 305 HB2 ALA 46 HB2 ALA 46 -1.025 -18.868 10.347 306 HB3 ALA 46 HB3 ALA 46 -1.287 -18.310 8.693 307 H LEU 47 H LEU 47 0.942 -15.538 9.795 308 HA LEU 47 HA LEU 47 0.755 -14.504 7.171 309 HB2 LEU 47 HB2 LEU 47 0.307 -13.109 9.130 310 HB3 LEU 47 HB3 LEU 47 1.955 -13.301 9.696 311 HG LEU 47 HG LEU 47 2.797 -11.943 7.812 312 HD11 LEU 47 HD11 LEU 47 -0.103 -11.632 6.975 313 HD12 LEU 47 HD12 LEU 47 1.158 -12.505 6.098 314 HD13 LEU 47 HD13 LEU 47 1.275 -10.759 6.296 315 HD21 LEU 47 HD21 LEU 47 0.547 -10.554 9.320 316 HD22 LEU 47 HD22 LEU 47 1.901 -9.759 8.510 317 HD23 LEU 47 HD23 LEU 47 2.198 -10.797 9.902 318 H ARG 48 H ARG 48 3.567 -15.143 9.245 319 HA ARG 48 HA ARG 48 5.533 -14.158 7.428 320 HB2 ARG 48 HB2 ARG 48 5.573 -14.572 10.074 321 HB3 ARG 48 HB3 ARG 48 6.226 -16.136 9.614 322 HG2 ARG 48 HG2 ARG 48 7.428 -13.467 8.808 323 HG3 ARG 48 HG3 ARG 48 7.929 -14.401 10.212 324 HD2 ARG 48 HD2 ARG 48 8.736 -16.194 8.801 325 HD3 ARG 48 HD3 ARG 48 8.085 -15.414 7.360 326 HE ARG 48 HE ARG 48 9.715 -13.618 7.703 327 HH11 ARG 48 HH11 ARG 48 10.400 -16.604 9.426 328 HH12 ARG 48 HH12 ARG 48 12.118 -16.372 9.403 329 HH21 ARG 48 HH21 ARG 48 11.946 -13.298 7.681 330 HH22 ARG 48 HH22 ARG 48 13.002 -14.466 8.409 331 H SER 49 H SER 49 4.253 -17.355 8.213 332 HA SER 49 HA SER 49 5.821 -18.957 6.515 333 HB2 SER 49 HB2 SER 49 4.223 -19.838 8.249 334 HB3 SER 49 HB3 SER 49 2.879 -19.397 7.199 335 HG SER 49 HG SER 49 4.124 -20.807 5.606 336 H LEU 50 H LEU 50 2.883 -17.059 5.864 337 HA LEU 50 HA LEU 50 2.473 -17.959 3.181 338 HB2 LEU 50 HB2 LEU 50 0.800 -16.873 4.851 339 HB3 LEU 50 HB3 LEU 50 1.461 -15.332 4.350 340 HG LEU 50 HG LEU 50 0.204 -17.272 2.366 341 HD11 LEU 50 HD11 LEU 50 -1.240 -15.070 3.874 342 HD12 LEU 50 HD12 LEU 50 -1.485 -16.809 4.070 343 HD13 LEU 50 HD13 LEU 50 -1.901 -16.030 2.546 344 HD21 LEU 50 HD21 LEU 50 0.651 -14.274 2.204 345 HD22 LEU 50 HD22 LEU 50 -0.144 -15.269 0.979 346 HD23 LEU 50 HD23 LEU 50 1.562 -15.514 1.340 347 H GLN 51 H GLN 51 4.214 -15.272 4.674 348 HA GLN 51 HA GLN 51 4.865 -13.736 2.403 349 HB2 GLN 51 HB2 GLN 51 6.345 -14.098 5.039 350 HB3 GLN 51 HB3 GLN 51 6.813 -12.912 3.825 351 HG2 GLN 51 HG2 GLN 51 4.124 -12.956 5.224 352 HG3 GLN 51 HG3 GLN 51 5.497 -11.987 5.736 353 HE21 GLN 51 HE21 GLN 51 6.288 -11.294 2.982 354 HE22 GLN 51 HE22 GLN 51 5.120 -10.152 2.431 355 H ARG 52 H ARG 52 6.613 -16.434 3.965 356 HA ARG 52 HA ARG 52 8.789 -16.356 2.044 357 HB2 ARG 52 HB2 ARG 52 9.746 -18.225 3.316 358 HB3 ARG 52 HB3 ARG 52 9.266 -16.916 4.394 359 HG2 ARG 52 HG2 ARG 52 7.257 -18.167 5.058 360 HG3 ARG 52 HG3 ARG 52 7.670 -19.467 3.936 361 HD2 ARG 52 HD2 ARG 52 9.351 -18.600 6.317 362 HD3 ARG 52 HD3 ARG 52 8.276 -20.000 6.285 363 HE ARG 52 HE ARG 52 9.830 -20.619 4.250 364 HH11 ARG 52 HH11 ARG 52 10.853 -19.298 7.345 365 HH12 ARG 52 HH12 ARG 52 12.395 -20.089 7.306 366 HH21 ARG 52 HH21 ARG 52 11.834 -21.659 4.210 367 HH22 ARG 52 HH22 ARG 52 12.953 -21.430 5.518 368 H TYR 53 H TYR 53 5.726 -17.951 2.292 369 HA TYR 53 HA TYR 53 6.415 -20.186 0.544 370 HB2 TYR 53 HB2 TYR 53 4.741 -20.263 2.489 371 HB3 TYR 53 HB3 TYR 53 3.647 -19.334 1.476 372 HD1 TYR 53 HD1 TYR 53 5.822 -22.395 1.044 373 HD2 TYR 53 HD2 TYR 53 1.950 -20.657 0.537 374 HE1 TYR 53 HE1 TYR 53 4.982 -24.518 0.125 375 HE2 TYR 53 HE2 TYR 53 1.126 -22.778 -0.370 376 HH TYR 53 HH TYR 53 1.994 -24.775 -1.473 377 HA PRO 54 HA PRO 54 5.763 -17.300 -2.909 378 HB2 PRO 54 HB2 PRO 54 6.578 -19.489 -4.726 379 HB3 PRO 54 HB3 PRO 54 7.417 -17.982 -4.345 380 HG2 PRO 54 HG2 PRO 54 8.339 -20.388 -3.500 381 HG3 PRO 54 HG3 PRO 54 8.555 -18.905 -2.546 382 HD2 PRO 54 HD2 PRO 54 6.472 -21.079 -2.211 383 HD3 PRO 54 HD3 PRO 54 7.493 -20.299 -0.974 384 H LEU 55 H LEU 55 4.301 -20.473 -2.729 385 HA LEU 55 HA LEU 55 2.499 -20.308 -4.918 386 HB2 LEU 55 HB2 LEU 55 3.189 -22.378 -3.503 387 HB3 LEU 55 HB3 LEU 55 2.024 -21.834 -2.332 388 HG LEU 55 HG LEU 55 1.213 -23.712 -3.743 389 HD11 LEU 55 HD11 LEU 55 -0.433 -22.239 -2.699 390 HD12 LEU 55 HD12 LEU 55 -1.005 -22.888 -4.233 391 HD13 LEU 55 HD13 LEU 55 -0.445 -21.215 -4.138 392 HD21 LEU 55 HD21 LEU 55 0.634 -23.375 -6.093 393 HD22 LEU 55 HD22 LEU 55 2.362 -23.162 -5.821 394 HD23 LEU 55 HD23 LEU 55 1.326 -21.749 -6.047 395 HA PRO 56 HA PRO 56 0.120 -16.933 -3.025 396 HB2 PRO 56 HB2 PRO 56 -1.715 -17.133 -5.362 397 HB3 PRO 56 HB3 PRO 56 -0.660 -15.800 -4.876 398 HG2 PRO 56 HG2 PRO 56 -0.120 -17.316 -7.049 399 HG3 PRO 56 HG3 PRO 56 1.173 -16.646 -6.032 400 HD2 PRO 56 HD2 PRO 56 0.025 -19.447 -6.031 401 HD3 PRO 56 HD3 PRO 56 1.728 -18.926 -5.992 402 H LEU 57 H LEU 57 -0.871 -17.777 -1.262 403 HA LEU 57 HA LEU 57 -2.839 -19.861 -1.322 404 HB2 LEU 57 HB2 LEU 57 -2.014 -17.990 0.941 405 HB3 LEU 57 HB3 LEU 57 -3.023 -19.423 1.129 406 HG LEU 57 HG LEU 57 -0.106 -19.387 0.240 407 HD11 LEU 57 HD11 LEU 57 0.372 -20.553 2.328 408 HD12 LEU 57 HD12 LEU 57 -1.319 -20.414 2.814 409 HD13 LEU 57 HD13 LEU 57 -0.330 -18.965 2.621 410 HD21 LEU 57 HD21 LEU 57 -1.979 -21.750 0.565 411 HD22 LEU 57 HD22 LEU 57 -0.233 -21.865 0.348 412 HD23 LEU 57 HD23 LEU 57 -1.228 -21.177 -0.927 413 H ARG 58 H ARG 58 -4.652 -19.423 -2.348 414 HA ARG 58 HA ARG 58 -6.085 -16.869 -1.967 415 HB2 ARG 58 HB2 ARG 58 -5.560 -17.370 -4.276 416 HB3 ARG 58 HB3 ARG 58 -6.178 -19.010 -4.128 417 HG2 ARG 58 HG2 ARG 58 -8.449 -18.243 -4.041 418 HG3 ARG 58 HG3 ARG 58 -7.945 -16.559 -3.866 419 HD2 ARG 58 HD2 ARG 58 -8.744 -17.146 -6.167 420 HD3 ARG 58 HD3 ARG 58 -7.103 -16.496 -6.123 421 HE ARG 58 HE ARG 58 -7.242 -19.394 -6.090 422 HH11 ARG 58 HH11 ARG 58 -7.105 -16.558 -8.176 423 HH12 ARG 58 HH12 ARG 58 -6.449 -17.426 -9.526 424 HH21 ARG 58 HH21 ARG 58 -6.401 -20.522 -7.867 425 HH22 ARG 58 HH22 ARG 58 -6.048 -19.687 -9.346 426 H SER 59 H SER 59 -6.443 -20.385 -1.838 427 HA SER 59 HA SER 59 -9.044 -20.137 -0.458 428 HB2 SER 59 HB2 SER 59 -9.148 -21.476 -2.549 429 HB3 SER 59 HB3 SER 59 -7.872 -22.532 -1.942 430 HG SER 59 HG SER 59 -10.541 -22.275 -1.058 431 H GLY 60 H GLY 60 -9.318 -21.194 1.530 432 HA2 GLY 60 HA2 GLY 60 -7.069 -21.521 3.239 433 HA3 GLY 60 HA3 GLY 60 -8.721 -22.004 3.606 434 H LYS 61 H LYS 61 -8.771 -23.719 1.184 435 HA LYS 61 HA LYS 61 -7.909 -26.241 1.887 436 HB2 LYS 61 HB2 LYS 61 -9.371 -25.754 -0.021 437 HB3 LYS 61 HB3 LYS 61 -8.061 -24.910 -0.842 438 HG2 LYS 61 HG2 LYS 61 -6.820 -27.058 -1.003 439 HG3 LYS 61 HG3 LYS 61 -8.199 -27.878 -0.257 440 HD2 LYS 61 HD2 LYS 61 -9.633 -27.242 -2.149 441 HD3 LYS 61 HD3 LYS 61 -8.303 -26.324 -2.872 442 HE2 LYS 61 HE2 LYS 61 -8.531 -28.487 -3.973 443 HE3 LYS 61 HE3 LYS 61 -7.005 -28.416 -3.094 444 HZ1 LYS 61 HZ1 LYS 61 -8.173 -30.535 -2.818 445 HZ2 LYS 61 HZ2 LYS 61 -9.469 -29.731 -2.086 446 HZ3 LYS 61 HZ3 LYS 61 -7.951 -29.733 -1.346 447 H GLU 62 H GLU 62 -6.170 -23.754 0.057 448 HA GLU 62 HA GLU 62 -3.707 -25.208 -0.239 449 HB2 GLU 62 HB2 GLU 62 -4.268 -22.235 -0.629 450 HB3 GLU 62 HB3 GLU 62 -2.884 -23.128 -1.258 451 HG2 GLU 62 HG2 GLU 62 -4.318 -24.376 -2.770 452 HG3 GLU 62 HG3 GLU 62 -5.761 -23.653 -2.056 453 H ALA 63 H ALA 63 -4.969 -22.727 1.927 454 HA ALA 63 HA ALA 63 -2.496 -21.922 3.095 455 HB1 ALA 63 HB1 ALA 63 -3.898 -20.693 4.707 456 HB2 ALA 63 HB2 ALA 63 -5.329 -21.560 4.139 457 HB3 ALA 63 HB3 ALA 63 -4.473 -20.461 3.056 458 H LYS 64 H LYS 64 -4.864 -24.393 3.947 459 HA LYS 64 HA LYS 64 -4.130 -24.661 6.700 460 HB2 LYS 64 HB2 LYS 64 -6.396 -25.194 5.718 461 HB3 LYS 64 HB3 LYS 64 -5.698 -26.632 4.991 462 HG2 LYS 64 HG2 LYS 64 -5.256 -27.574 7.195 463 HG3 LYS 64 HG3 LYS 64 -5.770 -26.077 7.972 464 HD2 LYS 64 HD2 LYS 64 -7.620 -27.518 8.220 465 HD3 LYS 64 HD3 LYS 64 -8.073 -26.474 6.883 466 HE2 LYS 64 HE2 LYS 64 -6.914 -29.257 6.528 467 HE3 LYS 64 HE3 LYS 64 -8.640 -28.917 6.576 468 HZ1 LYS 64 HZ1 LYS 64 -7.895 -29.092 4.322 469 HZ2 LYS 64 HZ2 LYS 64 -6.699 -27.930 4.560 470 HZ3 LYS 64 HZ3 LYS 64 -8.329 -27.488 4.621 471 H ILE 65 H ILE 65 -2.797 -25.988 3.774 472 HA ILE 65 HA ILE 65 -1.959 -28.538 4.703 473 HB ILE 65 HB ILE 65 -0.552 -28.730 2.739 474 HG12 ILE 65 HG12 ILE 65 -0.915 -25.731 2.316 475 HG13 ILE 65 HG13 ILE 65 0.574 -26.528 2.793 476 HG21 ILE 65 HG21 ILE 65 -3.082 -27.206 2.006 477 HG22 ILE 65 HG22 ILE 65 -2.985 -28.931 2.369 478 HG23 ILE 65 HG23 ILE 65 -2.180 -28.287 0.938 479 HD11 ILE 65 HD11 ILE 65 -0.829 -26.807 0.140 480 HD12 ILE 65 HD12 ILE 65 0.640 -27.665 0.608 481 HD13 ILE 65 HD13 ILE 65 0.649 -25.907 0.470 482 H LEU 66 H LEU 66 -0.583 -25.356 5.116 483 HA LEU 66 HA LEU 66 2.071 -26.289 5.819 484 HB2 LEU 66 HB2 LEU 66 0.874 -23.507 6.174 485 HB3 LEU 66 HB3 LEU 66 2.564 -23.943 6.344 486 HG LEU 66 HG LEU 66 2.225 -24.737 3.781 487 HD11 LEU 66 HD11 LEU 66 -0.157 -24.173 3.661 488 HD12 LEU 66 HD12 LEU 66 0.792 -23.227 2.518 489 HD13 LEU 66 HD13 LEU 66 0.215 -22.480 4.011 490 HD21 LEU 66 HD21 LEU 66 3.916 -23.150 4.532 491 HD22 LEU 66 HD22 LEU 66 2.714 -21.856 4.568 492 HD23 LEU 66 HD23 LEU 66 3.154 -22.617 3.037 493 H GLN 67 H GLN 67 2.974 -26.316 7.838 494 HA GLN 67 HA GLN 67 1.172 -26.889 10.061 495 HB2 GLN 67 HB2 GLN 67 3.079 -28.405 9.293 496 HB3 GLN 67 HB3 GLN 67 4.207 -27.192 9.868 497 HG2 GLN 67 HG2 GLN 67 3.983 -29.065 11.439 498 HG3 GLN 67 HG3 GLN 67 3.473 -27.541 12.166 499 HE21 GLN 67 HE21 GLN 67 2.389 -30.650 10.942 500 HE22 GLN 67 HE22 GLN 67 0.829 -30.612 11.681 501 H HIS 68 H HIS 68 1.327 -24.154 9.309 502 HA HIS 68 HA HIS 68 2.324 -22.885 11.786 503 HB2 HIS 68 HB2 HIS 68 2.592 -21.721 8.973 504 HB3 HIS 68 HB3 HIS 68 2.988 -20.872 10.465 505 HD1 HIS 68 HD1 HIS 68 4.559 -22.731 7.849 506 HD2 HIS 68 HD2 HIS 68 5.149 -22.369 11.951 507 HE1 HIS 68 HE1 HIS 68 6.886 -23.602 8.271 508 HE2 HIS 68 HE2 HIS 68 7.268 -23.217 10.735 509 H PHE 69 H PHE 69 0.065 -22.940 9.077 510 HA PHE 69 HA PHE 69 -1.771 -21.036 10.199 511 HB2 PHE 69 HB2 PHE 69 -2.128 -23.097 7.964 512 HB3 PHE 69 HB3 PHE 69 -3.315 -21.871 8.400 513 HD1 PHE 69 HD1 PHE 69 0.340 -22.052 7.442 514 HD2 PHE 69 HD2 PHE 69 -3.357 -19.935 7.066 515 HE1 PHE 69 HE1 PHE 69 1.387 -20.479 5.869 516 HE2 PHE 69 HE2 PHE 69 -2.294 -18.373 5.493 517 HZ PHE 69 HZ PHE 69 0.073 -18.645 4.901 518 H GLY 70 H GLY 70 -2.413 -24.462 9.372 519 HA2 GLY 70 HA2 GLY 70 -3.273 -26.178 10.668 520 HA3 GLY 70 HA3 GLY 70 -3.300 -25.114 12.066 521 H ASP 71 H ASP 71 -5.412 -26.443 12.183 522 HA ASP 71 HA ASP 71 -7.514 -26.046 10.318 523 HB2 ASP 71 HB2 ASP 71 -7.631 -27.057 13.190 524 HB3 ASP 71 HB3 ASP 71 -8.969 -27.137 12.049 525 H ARG 72 H ARG 72 -6.905 -24.567 13.518 526 HA ARG 72 HA ARG 72 -9.315 -23.110 13.776 527 HB2 ARG 72 HB2 ARG 72 -6.558 -22.596 14.956 528 HB3 ARG 72 HB3 ARG 72 -7.985 -21.677 15.415 529 HG2 ARG 72 HG2 ARG 72 -7.673 -24.678 15.790 530 HG3 ARG 72 HG3 ARG 72 -7.386 -23.463 17.040 531 HD2 ARG 72 HD2 ARG 72 -9.776 -22.701 16.724 532 HD3 ARG 72 HD3 ARG 72 -10.016 -24.090 15.659 533 HE ARG 72 HE ARG 72 -8.998 -24.865 18.221 534 HH11 ARG 72 HH11 ARG 72 -11.975 -23.980 16.553 535 HH12 ARG 72 HH12 ARG 72 -12.990 -24.744 17.734 536 HH21 ARG 72 HH21 ARG 72 -10.327 -25.827 19.760 537 HH22 ARG 72 HH22 ARG 72 -12.052 -25.804 19.565 538 H LEU 73 H LEU 73 -6.127 -22.126 12.567 539 HA LEU 73 HA LEU 73 -6.692 -19.419 11.986 540 HB2 LEU 73 HB2 LEU 73 -4.426 -20.594 12.222 541 HB3 LEU 73 HB3 LEU 73 -4.655 -21.206 10.603 542 HG LEU 73 HG LEU 73 -3.084 -19.315 10.691 543 HD11 LEU 73 HD11 LEU 73 -4.309 -19.638 8.615 544 HD12 LEU 73 HD12 LEU 73 -3.921 -17.943 8.892 545 HD13 LEU 73 HD13 LEU 73 -5.567 -18.529 9.168 546 HD21 LEU 73 HD21 LEU 73 -5.400 -17.643 11.667 547 HD22 LEU 73 HD22 LEU 73 -3.798 -17.049 11.210 548 HD23 LEU 73 HD23 LEU 73 -3.976 -18.124 12.592 549 H CYS 74 H CYS 74 -6.582 -22.309 9.914 550 HA CYS 74 HA CYS 74 -7.302 -21.140 7.462 551 HB2 CYS 74 HB2 CYS 74 -6.350 -23.364 7.481 552 HB3 CYS 74 HB3 CYS 74 -7.669 -23.986 8.472 553 HG CYS 74 HG CYS 74 -9.534 -23.286 6.284 554 H ARG 75 H ARG 75 -9.298 -22.363 10.116 555 HA ARG 75 HA ARG 75 -11.779 -22.318 8.753 556 HB2 ARG 75 HB2 ARG 75 -11.566 -23.567 10.816 557 HB3 ARG 75 HB3 ARG 75 -11.154 -22.120 11.719 558 HG2 ARG 75 HG2 ARG 75 -13.501 -22.986 12.075 559 HG3 ARG 75 HG3 ARG 75 -13.398 -21.289 11.610 560 HD2 ARG 75 HD2 ARG 75 -15.244 -22.551 10.469 561 HD3 ARG 75 HD3 ARG 75 -14.108 -21.788 9.357 562 HE ARG 75 HE ARG 75 -13.495 -24.550 9.943 563 HH11 ARG 75 HH11 ARG 75 -15.336 -22.420 7.839 564 HH12 ARG 75 HH12 ARG 75 -15.459 -23.583 6.562 565 HH21 ARG 75 HH21 ARG 75 -13.655 -26.066 8.256 566 HH22 ARG 75 HH22 ARG 75 -14.504 -25.655 6.801 567 H MET 76 H MET 76 -10.065 -19.822 10.682 568 HA MET 76 HA MET 76 -12.228 -17.917 10.527 569 HB2 MET 76 HB2 MET 76 -9.263 -17.455 11.126 570 HB3 MET 76 HB3 MET 76 -10.539 -16.264 11.360 571 HG2 MET 76 HG2 MET 76 -11.585 -17.775 13.042 572 HG3 MET 76 HG3 MET 76 -10.233 -18.889 12.841 573 HE1 MET 76 HE1 MET 76 -10.170 -14.894 12.935 574 HE2 MET 76 HE2 MET 76 -9.844 -14.632 14.648 575 HE3 MET 76 HE3 MET 76 -11.375 -15.347 14.143 576 H LEU 77 H LEU 77 -9.348 -18.610 8.666 577 HA LEU 77 HA LEU 77 -9.238 -16.216 7.130 578 HB2 LEU 77 HB2 LEU 77 -7.378 -17.859 7.808 579 HB3 LEU 77 HB3 LEU 77 -7.949 -18.901 6.527 580 HG LEU 77 HG LEU 77 -7.314 -17.255 4.832 581 HD11 LEU 77 HD11 LEU 77 -6.150 -15.165 5.423 582 HD12 LEU 77 HD12 LEU 77 -6.464 -15.476 7.135 583 HD13 LEU 77 HD13 LEU 77 -7.808 -15.190 6.027 584 HD21 LEU 77 HD21 LEU 77 -5.608 -18.854 5.632 585 HD22 LEU 77 HD22 LEU 77 -5.069 -17.677 6.832 586 HD23 LEU 77 HD23 LEU 77 -4.882 -17.332 5.110 587 H ASP 78 H ASP 78 -10.196 -19.550 6.339 588 HA ASP 78 HA ASP 78 -10.915 -19.002 3.607 589 HB2 ASP 78 HB2 ASP 78 -9.982 -21.176 4.273 590 HB3 ASP 78 HB3 ASP 78 -11.376 -21.490 5.298 591 H GLU 79 H GLU 79 -12.777 -19.393 6.612 592 HA GLU 79 HA GLU 79 -15.368 -19.434 5.469 593 HB2 GLU 79 HB2 GLU 79 -14.693 -20.058 7.841 594 HB3 GLU 79 HB3 GLU 79 -14.516 -18.346 8.190 595 HG2 GLU 79 HG2 GLU 79 -16.913 -18.055 7.561 596 HG3 GLU 79 HG3 GLU 79 -17.030 -19.804 7.425 597 H LYS 80 H LYS 80 -13.349 -16.825 6.818 598 HA LYS 80 HA LYS 80 -14.905 -14.587 6.202 599 HB2 LYS 80 HB2 LYS 80 -11.939 -15.057 6.487 600 HB3 LYS 80 HB3 LYS 80 -12.473 -13.502 5.872 601 HG2 LYS 80 HG2 LYS 80 -13.483 -14.650 8.493 602 HG3 LYS 80 HG3 LYS 80 -12.031 -13.653 8.382 603 HD2 LYS 80 HD2 LYS 80 -14.845 -12.812 7.583 604 HD3 LYS 80 HD3 LYS 80 -13.984 -12.304 9.039 605 HE2 LYS 80 HE2 LYS 80 -12.286 -11.174 7.639 606 HE3 LYS 80 HE3 LYS 80 -13.136 -11.698 6.182 607 HZ1 LYS 80 HZ1 LYS 80 -13.611 -9.408 6.818 608 HZ2 LYS 80 HZ2 LYS 80 -14.295 -9.947 8.267 609 HZ3 LYS 80 HZ3 LYS 80 -15.005 -10.369 6.793 610 H LEU 81 H LEU 81 -12.481 -16.244 4.182 611 HA LEU 81 HA LEU 81 -12.603 -14.786 1.824 612 HB2 LEU 81 HB2 LEU 81 -11.012 -16.624 2.241 613 HB3 LEU 81 HB3 LEU 81 -12.316 -17.789 2.182 614 HG LEU 81 HG LEU 81 -12.673 -16.993 -0.272 615 HD11 LEU 81 HD11 LEU 81 -10.731 -16.050 -1.409 616 HD12 LEU 81 HD12 LEU 81 -9.862 -15.929 0.123 617 HD13 LEU 81 HD13 LEU 81 -11.309 -14.954 -0.152 618 HD21 LEU 81 HD21 LEU 81 -11.003 -18.565 -1.126 619 HD22 LEU 81 HD22 LEU 81 -11.788 -19.207 0.315 620 HD23 LEU 81 HD23 LEU 81 -10.157 -18.539 0.423 621 H LYS 82 H LYS 82 -14.642 -17.448 2.915 622 HA LYS 82 HA LYS 82 -16.223 -17.757 0.603 623 HB2 LYS 82 HB2 LYS 82 -15.931 -19.472 2.413 624 HB3 LYS 82 HB3 LYS 82 -16.920 -18.492 3.482 625 HG2 LYS 82 HG2 LYS 82 -18.074 -19.390 0.844 626 HG3 LYS 82 HG3 LYS 82 -17.930 -20.562 2.156 627 HD2 LYS 82 HD2 LYS 82 -19.344 -19.150 3.598 628 HD3 LYS 82 HD3 LYS 82 -19.439 -17.920 2.334 629 HE2 LYS 82 HE2 LYS 82 -21.470 -19.342 2.439 630 HE3 LYS 82 HE3 LYS 82 -20.658 -19.453 0.879 631 HZ1 LYS 82 HZ1 LYS 82 -20.408 -21.435 3.081 632 HZ2 LYS 82 HZ2 LYS 82 -19.705 -21.558 1.543 633 HZ3 LYS 82 HZ3 LYS 82 -21.388 -21.614 1.713 634 H GLN 83 H GLN 83 -16.648 -15.784 3.556 635 HA GLN 83 HA GLN 83 -19.380 -15.036 2.955 636 HB2 GLN 83 HB2 GLN 83 -17.415 -13.880 4.985 637 HB3 GLN 83 HB3 GLN 83 -19.134 -13.494 4.904 638 HG2 GLN 83 HG2 GLN 83 -19.690 -15.830 5.420 639 HG3 GLN 83 HG3 GLN 83 -17.980 -16.238 5.473 640 HE21 GLN 83 HE21 GLN 83 -18.141 -16.952 7.620 641 HE22 GLN 83 HE22 GLN 83 -18.333 -15.869 8.950 642 H HIS 84 H HIS 84 -16.189 -13.683 2.475 643 HA HIS 84 HA HIS 84 -16.902 -11.059 1.672 644 HB2 HIS 84 HB2 HIS 84 -14.571 -11.842 2.376 645 HB3 HIS 84 HB3 HIS 84 -14.410 -12.586 0.792 646 HD1 HIS 84 HD1 HIS 84 -14.845 -10.700 -1.275 647 HD2 HIS 84 HD2 HIS 84 -13.586 -9.323 2.445 648 HE1 HIS 84 HE1 HIS 84 -13.916 -8.400 -1.681 649 HE2 HIS 84 HE2 HIS 84 -13.233 -7.555 0.585 650 H LEU 85 H LEU 85 -16.214 -14.048 -0.129 651 HA LEU 85 HA LEU 85 -16.673 -12.850 -2.729 652 HB2 LEU 85 HB2 LEU 85 -16.131 -15.726 -1.915 653 HB3 LEU 85 HB3 LEU 85 -16.197 -15.156 -3.579 654 HG LEU 85 HG LEU 85 -14.150 -14.297 -1.490 655 HD11 LEU 85 HD11 LEU 85 -13.817 -16.123 -3.889 656 HD12 LEU 85 HD12 LEU 85 -13.773 -16.592 -2.186 657 HD13 LEU 85 HD13 LEU 85 -12.518 -15.545 -2.841 658 HD21 LEU 85 HD21 LEU 85 -14.336 -13.534 -4.426 659 HD22 LEU 85 HD22 LEU 85 -13.000 -13.135 -3.342 660 HD23 LEU 85 HD23 LEU 85 -14.601 -12.467 -3.044 661 H ALA 86 H ALA 86 -18.610 -14.490 -0.360 662 HA ALA 86 HA ALA 86 -20.733 -15.357 -2.113 663 HB1 ALA 86 HB1 ALA 86 -22.040 -15.702 -0.049 664 HB2 ALA 86 HB2 ALA 86 -20.803 -14.858 0.890 665 HB3 ALA 86 HB3 ALA 86 -20.420 -16.396 0.108 666 H SER 87 H SER 87 -20.006 -12.469 -0.205 667 HA SER 87 HA SER 87 -22.448 -11.075 -0.860 668 HB2 SER 87 HB2 SER 87 -21.146 -10.635 1.240 669 HB3 SER 87 HB3 SER 87 -19.825 -9.985 0.262 670 HG SER 87 HG SER 87 -21.417 -8.434 -0.538 671 H GLY 88 H GLY 88 -19.001 -10.430 -1.708 672 HA2 GLY 88 HA2 GLY 88 -19.386 -10.293 -4.499 673 HA3 GLY 88 HA3 GLY 88 -19.480 -8.665 -3.843 674 H GLY 89 H GLY 89 -17.580 -7.628 -4.163 675 HA2 GLY 89 HA2 GLY 89 -15.272 -7.782 -2.920 676 HA3 GLY 89 HA3 GLY 89 -15.021 -9.089 -4.074 677 H ASP 90 H ASP 90 -13.169 -7.500 -4.492 678 HA ASP 90 HA ASP 90 -13.768 -5.166 -6.099 679 HB2 ASP 90 HB2 ASP 90 -11.766 -5.239 -4.629 680 HB3 ASP 90 HB3 ASP 90 -11.105 -6.559 -5.585 Start of MODEL 20 1 H ARG 11 H ARG 11 6.463 -22.307 -13.870 2 HA ARG 11 HA ARG 11 5.145 -19.684 -13.625 3 HB2 ARG 11 HB2 ARG 11 4.496 -22.380 -12.371 4 HB3 ARG 11 HB3 ARG 11 3.957 -20.877 -11.641 5 HG2 ARG 11 HG2 ARG 11 2.117 -21.735 -12.891 6 HG3 ARG 11 HG3 ARG 11 2.731 -20.344 -13.781 7 HD2 ARG 11 HD2 ARG 11 3.900 -21.864 -15.338 8 HD3 ARG 11 HD3 ARG 11 3.291 -23.255 -14.437 9 HE ARG 11 HE ARG 11 1.000 -22.083 -15.046 10 HH11 ARG 11 HH11 ARG 11 3.755 -22.649 -17.161 11 HH12 ARG 11 HH12 ARG 11 2.780 -22.746 -18.587 12 HH21 ARG 11 HH21 ARG 11 -0.251 -22.237 -16.929 13 HH22 ARG 11 HH22 ARG 11 0.518 -22.508 -18.464 14 HA PRO 12 HA PRO 12 8.684 -19.236 -10.645 15 HB2 PRO 12 HB2 PRO 12 8.068 -16.360 -11.221 16 HB3 PRO 12 HB3 PRO 12 9.629 -17.189 -11.220 17 HG2 PRO 12 HG2 PRO 12 8.475 -16.434 -13.528 18 HG3 PRO 12 HG3 PRO 12 9.378 -17.960 -13.413 19 HD2 PRO 12 HD2 PRO 12 6.385 -17.521 -13.356 20 HD3 PRO 12 HD3 PRO 12 7.327 -18.755 -14.228 21 H LEU 13 H LEU 13 8.299 -18.821 -8.452 22 HA LEU 13 HA LEU 13 5.733 -19.100 -7.479 23 HB2 LEU 13 HB2 LEU 13 6.883 -18.164 -5.211 24 HB3 LEU 13 HB3 LEU 13 7.131 -19.778 -5.832 25 HG LEU 13 HG LEU 13 9.308 -19.031 -6.833 26 HD11 LEU 13 HD11 LEU 13 10.352 -16.940 -6.111 27 HD12 LEU 13 HD12 LEU 13 8.849 -16.448 -5.330 28 HD13 LEU 13 HD13 LEU 13 8.914 -16.638 -7.084 29 HD21 LEU 13 HD21 LEU 13 9.068 -18.613 -3.841 30 HD22 LEU 13 HD22 LEU 13 10.555 -18.985 -4.718 31 HD23 LEU 13 HD23 LEU 13 9.249 -20.167 -4.658 32 HA PRO 14 HA PRO 14 4.604 -14.797 -8.241 33 HB2 PRO 14 HB2 PRO 14 2.065 -15.237 -9.104 34 HB3 PRO 14 HB3 PRO 14 3.474 -15.687 -10.071 35 HG2 PRO 14 HG2 PRO 14 1.573 -17.439 -8.617 36 HG3 PRO 14 HG3 PRO 14 2.658 -17.836 -9.960 37 HD2 PRO 14 HD2 PRO 14 3.082 -18.276 -7.094 38 HD3 PRO 14 HD3 PRO 14 4.097 -18.808 -8.452 39 H VAL 15 H VAL 15 4.767 -14.145 -6.018 40 HA VAL 15 HA VAL 15 2.690 -14.321 -4.113 41 HB VAL 15 HB VAL 15 4.687 -12.028 -4.467 42 HG11 VAL 15 HG11 VAL 15 2.782 -11.391 -3.020 43 HG12 VAL 15 HG12 VAL 15 4.260 -11.540 -2.070 44 HG13 VAL 15 HG13 VAL 15 3.050 -12.822 -2.018 45 HG21 VAL 15 HG21 VAL 15 6.068 -13.193 -2.764 46 HG22 VAL 15 HG22 VAL 15 5.859 -14.188 -4.207 47 HG23 VAL 15 HG23 VAL 15 4.925 -14.537 -2.749 48 H CYS 16 H CYS 16 0.673 -13.895 -4.789 49 HA CYS 16 HA CYS 16 -0.193 -12.189 -6.794 50 HB2 CYS 16 HB2 CYS 16 -1.580 -14.000 -5.853 51 HB3 CYS 16 HB3 CYS 16 -1.718 -13.132 -4.329 52 HG CYS 16 HG CYS 16 -3.952 -12.075 -4.988 53 HA PRO 17 HA PRO 17 0.348 -7.952 -5.285 54 HB2 PRO 17 HB2 PRO 17 -2.393 -7.602 -6.541 55 HB3 PRO 17 HB3 PRO 17 -0.959 -6.570 -6.682 56 HG2 PRO 17 HG2 PRO 17 -1.566 -8.226 -8.664 57 HG3 PRO 17 HG3 PRO 17 0.128 -8.062 -8.150 58 HD2 PRO 17 HD2 PRO 17 -1.814 -10.296 -7.604 59 HD3 PRO 17 HD3 PRO 17 -0.066 -10.374 -7.910 60 H ASN 18 H ASN 18 -2.860 -9.408 -4.890 61 HA ASN 18 HA ASN 18 -2.813 -8.909 -2.011 62 HB2 ASN 18 HB2 ASN 18 -4.068 -6.963 -2.864 63 HB3 ASN 18 HB3 ASN 18 -5.117 -8.018 -3.802 64 HD21 ASN 18 HD21 ASN 18 -6.975 -7.264 -2.806 65 HD22 ASN 18 HD22 ASN 18 -7.380 -7.632 -1.167 66 HA PRO 19 HA PRO 19 -4.324 -13.205 -2.893 67 HB2 PRO 19 HB2 PRO 19 -2.859 -13.946 -0.425 68 HB3 PRO 19 HB3 PRO 19 -2.616 -14.517 -2.079 69 HG2 PRO 19 HG2 PRO 19 -0.812 -12.910 -0.841 70 HG3 PRO 19 HG3 PRO 19 -1.107 -12.823 -2.592 71 HD2 PRO 19 HD2 PRO 19 -2.240 -11.058 -0.398 72 HD3 PRO 19 HD3 PRO 19 -1.481 -10.579 -1.938 73 H LEU 20 H LEU 20 -5.066 -10.885 -0.668 74 HA LEU 20 HA LEU 20 -6.838 -10.442 0.643 75 HB2 LEU 20 HB2 LEU 20 -7.733 -13.321 0.239 76 HB3 LEU 20 HB3 LEU 20 -8.681 -12.051 0.998 77 HG LEU 20 HG LEU 20 -7.839 -12.111 -1.927 78 HD11 LEU 20 HD11 LEU 20 -10.552 -12.586 -0.667 79 HD12 LEU 20 HD12 LEU 20 -9.510 -13.810 -1.399 80 HD13 LEU 20 HD13 LEU 20 -10.198 -12.533 -2.396 81 HD21 LEU 20 HD21 LEU 20 -9.347 -10.174 -2.201 82 HD22 LEU 20 HD22 LEU 20 -8.003 -9.802 -1.126 83 HD23 LEU 20 HD23 LEU 20 -9.607 -10.121 -0.455 84 H PHE 21 H PHE 21 -5.677 -13.722 1.314 85 HA PHE 21 HA PHE 21 -6.029 -13.880 4.050 86 HB2 PHE 21 HB2 PHE 21 -3.967 -15.166 2.217 87 HB3 PHE 21 HB3 PHE 21 -4.121 -15.597 3.916 88 HD1 PHE 21 HD1 PHE 21 -7.279 -14.883 2.260 89 HD2 PHE 21 HD2 PHE 21 -4.387 -17.941 3.013 90 HE1 PHE 21 HE1 PHE 21 -8.937 -16.593 1.732 91 HE2 PHE 21 HE2 PHE 21 -6.075 -19.647 2.478 92 HZ PHE 21 HZ PHE 21 -8.348 -18.972 1.845 93 H VAL 22 H VAL 22 -3.298 -12.531 2.230 94 HA VAL 22 HA VAL 22 -1.541 -12.022 4.376 95 HB VAL 22 HB VAL 22 -1.830 -10.586 1.697 96 HG11 VAL 22 HG11 VAL 22 0.504 -10.469 3.654 97 HG12 VAL 22 HG12 VAL 22 -0.588 -9.136 3.273 98 HG13 VAL 22 HG13 VAL 22 0.491 -9.772 2.030 99 HG21 VAL 22 HG21 VAL 22 0.063 -12.024 1.001 100 HG22 VAL 22 HG22 VAL 22 -1.332 -12.987 1.490 101 HG23 VAL 22 HG23 VAL 22 0.045 -12.813 2.582 102 H ARG 23 H ARG 23 -4.197 -10.117 2.990 103 HA ARG 23 HA ARG 23 -3.806 -7.714 4.440 104 HB2 ARG 23 HB2 ARG 23 -5.263 -7.175 2.727 105 HB3 ARG 23 HB3 ARG 23 -5.821 -8.834 2.553 106 HG2 ARG 23 HG2 ARG 23 -7.308 -8.493 4.503 107 HG3 ARG 23 HG3 ARG 23 -6.818 -6.801 4.569 108 HD2 ARG 23 HD2 ARG 23 -7.768 -6.477 2.296 109 HD3 ARG 23 HD3 ARG 23 -8.296 -8.168 2.296 110 HE ARG 23 HE ARG 23 -9.406 -7.248 4.569 111 HH11 ARG 23 HH11 ARG 23 -9.462 -5.820 1.350 112 HH12 ARG 23 HH12 ARG 23 -11.050 -5.159 1.564 113 HH21 ARG 23 HH21 ARG 23 -11.480 -6.349 4.789 114 HH22 ARG 23 HH22 ARG 23 -12.167 -5.447 3.475 115 H TRP 24 H TRP 24 -5.855 -10.596 4.934 116 HA TRP 24 HA TRP 24 -7.230 -9.596 7.206 117 HB2 TRP 24 HB2 TRP 24 -6.981 -12.417 6.087 118 HB3 TRP 24 HB3 TRP 24 -8.016 -12.010 7.455 119 HD1 TRP 24 HD1 TRP 24 -9.164 -9.231 6.265 120 HE1 TRP 24 HE1 TRP 24 -10.891 -9.296 4.376 121 HE3 TRP 24 HE3 TRP 24 -8.300 -13.974 4.485 122 HZ2 TRP 24 HZ2 TRP 24 -11.783 -11.074 2.405 123 HZ3 TRP 24 HZ3 TRP 24 -9.658 -14.770 2.602 124 HH2 TRP 24 HH2 TRP 24 -11.368 -13.351 1.582 125 H LEU 25 H LEU 25 -4.431 -11.775 6.866 126 HA LEU 25 HA LEU 25 -4.169 -12.368 9.633 127 HB2 LEU 25 HB2 LEU 25 -2.167 -12.577 7.361 128 HB3 LEU 25 HB3 LEU 25 -1.863 -13.185 8.986 129 HG LEU 25 HG LEU 25 -4.092 -14.151 7.138 130 HD11 LEU 25 HD11 LEU 25 -1.510 -15.538 7.907 131 HD12 LEU 25 HD12 LEU 25 -1.926 -14.898 6.315 132 HD13 LEU 25 HD13 LEU 25 -2.832 -16.258 6.981 133 HD21 LEU 25 HD21 LEU 25 -3.274 -15.176 9.878 134 HD22 LEU 25 HD22 LEU 25 -4.506 -15.878 8.826 135 HD23 LEU 25 HD23 LEU 25 -4.747 -14.272 9.500 136 H THR 26 H THR 26 -2.965 -9.720 7.639 137 HA THR 26 HA THR 26 -1.099 -8.687 9.569 138 HB THR 26 HB THR 26 -2.420 -7.324 7.186 139 HG1 THR 26 HG1 THR 26 -0.919 -9.193 6.913 140 HG21 THR 26 HG21 THR 26 -0.594 -5.658 7.331 141 HG22 THR 26 HG22 THR 26 -0.018 -6.411 8.818 142 HG23 THR 26 HG23 THR 26 -1.596 -5.622 8.784 143 H GLU 27 H GLU 27 -4.447 -7.760 8.617 144 HA GLU 27 HA GLU 27 -4.618 -5.563 10.430 145 HB2 GLU 27 HB2 GLU 27 -7.005 -5.444 9.845 146 HB3 GLU 27 HB3 GLU 27 -6.021 -5.640 8.402 147 HG2 GLU 27 HG2 GLU 27 -6.634 -7.982 8.229 148 HG3 GLU 27 HG3 GLU 27 -7.494 -7.917 9.763 149 H TRP 28 H TRP 28 -5.580 -8.967 10.621 150 HA TRP 28 HA TRP 28 -6.967 -8.809 13.107 151 HB2 TRP 28 HB2 TRP 28 -5.706 -11.177 11.668 152 HB3 TRP 28 HB3 TRP 28 -6.614 -11.336 13.168 153 HD1 TRP 28 HD1 TRP 28 -8.619 -8.885 11.483 154 HE1 TRP 28 HE1 TRP 28 -10.500 -9.959 10.105 155 HE3 TRP 28 HE3 TRP 28 -6.868 -13.690 11.305 156 HZ2 TRP 28 HZ2 TRP 28 -11.165 -12.492 9.101 157 HZ3 TRP 28 HZ3 TRP 28 -8.192 -15.389 10.115 158 HH2 TRP 28 HH2 TRP 28 -10.303 -14.802 9.031 159 H ARG 29 H ARG 29 -3.600 -9.455 12.197 160 HA ARG 29 HA ARG 29 -2.554 -10.123 14.745 161 HB2 ARG 29 HB2 ARG 29 -1.357 -10.477 12.592 162 HB3 ARG 29 HB3 ARG 29 -1.209 -8.736 12.384 163 HG2 ARG 29 HG2 ARG 29 0.155 -8.710 14.524 164 HG3 ARG 29 HG3 ARG 29 0.142 -10.474 14.468 165 HD2 ARG 29 HD2 ARG 29 1.312 -10.455 12.330 166 HD3 ARG 29 HD3 ARG 29 1.202 -8.691 12.245 167 HE ARG 29 HE ARG 29 2.573 -9.688 14.591 168 HH11 ARG 29 HH11 ARG 29 3.017 -8.700 11.244 169 HH12 ARG 29 HH12 ARG 29 4.700 -8.342 11.456 170 HH21 ARG 29 HH21 ARG 29 4.773 -9.205 14.844 171 HH22 ARG 29 HH22 ARG 29 5.696 -8.614 13.499 172 H ASP 30 H ASP 30 -3.053 -7.040 13.091 173 HA ASP 30 HA ASP 30 -1.840 -5.324 15.017 174 HB2 ASP 30 HB2 ASP 30 -2.171 -4.641 12.669 175 HB3 ASP 30 HB3 ASP 30 -3.915 -4.749 12.856 176 H GLU 31 H GLU 31 -5.196 -6.359 14.435 177 HA GLU 31 HA GLU 31 -6.461 -4.932 16.503 178 HB2 GLU 31 HB2 GLU 31 -7.194 -7.583 15.186 179 HB3 GLU 31 HB3 GLU 31 -8.235 -6.769 16.349 180 HG2 GLU 31 HG2 GLU 31 -7.384 -5.669 13.650 181 HG3 GLU 31 HG3 GLU 31 -8.955 -6.370 14.038 182 H ALA 32 H ALA 32 -4.974 -8.153 16.433 183 HA ALA 32 HA ALA 32 -5.693 -8.911 19.084 184 HB1 ALA 32 HB1 ALA 32 -4.186 -10.828 18.701 185 HB2 ALA 32 HB2 ALA 32 -3.587 -10.057 17.228 186 HB3 ALA 32 HB3 ALA 32 -5.272 -10.566 17.332 187 H ALA 33 H ALA 33 -3.076 -7.052 17.743 188 HA ALA 33 HA ALA 33 -1.276 -7.195 19.968 189 HB1 ALA 33 HB1 ALA 33 -1.505 -5.092 17.792 190 HB2 ALA 33 HB2 ALA 33 -0.516 -6.549 17.721 191 HB3 ALA 33 HB3 ALA 33 -0.140 -5.294 18.901 192 H SER 34 H SER 34 -3.761 -4.846 18.923 193 HA SER 34 HA SER 34 -3.281 -3.000 21.090 194 HB2 SER 34 HB2 SER 34 -4.001 -2.206 18.875 195 HB3 SER 34 HB3 SER 34 -5.515 -3.104 19.013 196 HG SER 34 HG SER 34 -5.386 -0.724 19.603 197 H ARG 35 H ARG 35 -5.832 -5.302 20.283 198 HA ARG 35 HA ARG 35 -7.556 -4.651 22.495 199 HB2 ARG 35 HB2 ARG 35 -7.662 -6.792 20.334 200 HB3 ARG 35 HB3 ARG 35 -8.858 -6.715 21.616 201 HG2 ARG 35 HG2 ARG 35 -9.652 -5.716 19.480 202 HG3 ARG 35 HG3 ARG 35 -9.684 -4.574 20.819 203 HD2 ARG 35 HD2 ARG 35 -7.780 -3.395 19.979 204 HD3 ARG 35 HD3 ARG 35 -7.395 -4.676 18.841 205 HE ARG 35 HE ARG 35 -9.470 -4.032 17.632 206 HH11 ARG 35 HH11 ARG 35 -7.985 -1.616 19.713 207 HH12 ARG 35 HH12 ARG 35 -8.391 -0.296 18.664 208 HH21 ARG 35 HH21 ARG 35 -9.948 -2.321 16.252 209 HH22 ARG 35 HH22 ARG 35 -9.510 -0.701 16.696 210 H GLY 36 H GLY 36 -4.888 -6.788 21.987 211 HA2 GLY 36 HA2 GLY 36 -3.676 -7.930 23.596 212 HA3 GLY 36 HA3 GLY 36 -4.963 -7.641 24.757 213 H ARG 37 H ARG 37 -5.157 -9.208 21.589 214 HA ARG 37 HA ARG 37 -6.064 -11.721 22.798 215 HB2 ARG 37 HB2 ARG 37 -6.296 -10.511 20.059 216 HB3 ARG 37 HB3 ARG 37 -6.195 -12.258 20.128 217 HG2 ARG 37 HG2 ARG 37 -8.507 -11.605 19.997 218 HG3 ARG 37 HG3 ARG 37 -8.202 -12.321 21.577 219 HD2 ARG 37 HD2 ARG 37 -8.240 -9.317 21.147 220 HD3 ARG 37 HD3 ARG 37 -9.706 -10.237 21.495 221 HE ARG 37 HE ARG 37 -7.493 -10.555 23.369 222 HH11 ARG 37 HH11 ARG 37 -10.590 -9.049 22.771 223 HH12 ARG 37 HH12 ARG 37 -10.768 -8.510 24.410 224 HH21 ARG 37 HH21 ARG 37 -7.713 -9.827 25.466 225 HH22 ARG 37 HH22 ARG 37 -9.124 -8.928 25.922 226 H HIS 38 H HIS 38 -4.856 -13.501 22.887 227 HA HIS 38 HA HIS 38 -2.047 -13.480 22.465 228 HB2 HIS 38 HB2 HIS 38 -3.860 -15.895 22.885 229 HB3 HIS 38 HB3 HIS 38 -2.121 -15.838 23.141 230 HD1 HIS 38 HD1 HIS 38 -5.288 -15.422 24.864 231 HD2 HIS 38 HD2 HIS 38 -1.380 -14.114 25.402 232 HE1 HIS 38 HE1 HIS 38 -5.152 -14.685 27.259 233 HE2 HIS 38 HE2 HIS 38 -2.790 -13.861 27.550 234 H THR 39 H THR 39 -4.712 -14.224 20.412 235 HA THR 39 HA THR 39 -3.572 -16.012 18.555 236 HB THR 39 HB THR 39 -5.418 -15.077 17.000 237 HG1 THR 39 HG1 THR 39 -6.991 -13.791 18.223 238 HG21 THR 39 HG21 THR 39 -7.240 -16.132 18.276 239 HG22 THR 39 HG22 THR 39 -6.261 -16.089 19.743 240 HG23 THR 39 HG23 THR 39 -5.773 -17.100 18.379 241 H ARG 40 H ARG 40 -2.740 -12.739 19.080 242 HA ARG 40 HA ARG 40 -2.107 -11.686 16.609 243 HB2 ARG 40 HB2 ARG 40 -1.756 -10.376 18.597 244 HB3 ARG 40 HB3 ARG 40 -0.626 -11.550 19.259 245 HG2 ARG 40 HG2 ARG 40 1.011 -10.957 17.489 246 HG3 ARG 40 HG3 ARG 40 -0.121 -9.753 16.863 247 HD2 ARG 40 HD2 ARG 40 1.680 -8.800 18.321 248 HD3 ARG 40 HD3 ARG 40 0.049 -8.451 18.896 249 HE ARG 40 HE ARG 40 0.623 -10.648 20.310 250 HH11 ARG 40 HH11 ARG 40 2.666 -7.849 19.762 251 HH12 ARG 40 HH12 ARG 40 3.341 -7.898 21.354 252 HH21 ARG 40 HH21 ARG 40 1.522 -10.683 22.385 253 HH22 ARG 40 HH22 ARG 40 2.696 -9.492 22.840 254 H PHE 41 H PHE 41 -0.274 -14.099 18.469 255 HA PHE 41 HA PHE 41 1.939 -14.185 16.717 256 HB2 PHE 41 HB2 PHE 41 1.503 -15.064 19.296 257 HB3 PHE 41 HB3 PHE 41 1.507 -16.592 18.428 258 HD1 PHE 41 HD1 PHE 41 3.442 -13.459 18.912 259 HD2 PHE 41 HD2 PHE 41 3.595 -17.581 17.804 260 HE1 PHE 41 HE1 PHE 41 5.904 -13.355 18.838 261 HE2 PHE 41 HE2 PHE 41 6.051 -17.471 17.736 262 HZ PHE 41 HZ PHE 41 7.210 -15.359 18.249 263 H VAL 42 H VAL 42 -1.077 -16.120 16.810 264 HA VAL 42 HA VAL 42 -0.087 -18.025 14.884 265 HB VAL 42 HB VAL 42 -1.906 -18.634 16.512 266 HG11 VAL 42 HG11 VAL 42 -4.264 -18.089 15.996 267 HG12 VAL 42 HG12 VAL 42 -3.722 -16.987 14.730 268 HG13 VAL 42 HG13 VAL 42 -3.329 -16.652 16.415 269 HG21 VAL 42 HG21 VAL 42 -2.572 -19.091 13.584 270 HG22 VAL 42 HG22 VAL 42 -3.175 -20.057 14.933 271 HG23 VAL 42 HG23 VAL 42 -1.450 -20.047 14.555 272 H PHE 43 H PHE 43 -1.911 -15.005 14.739 273 HA PHE 43 HA PHE 43 -2.450 -15.002 11.933 274 HB2 PHE 43 HB2 PHE 43 -2.038 -12.609 13.794 275 HB3 PHE 43 HB3 PHE 43 -2.755 -12.542 12.191 276 HD1 PHE 43 HD1 PHE 43 -4.588 -14.925 12.339 277 HD2 PHE 43 HD2 PHE 43 -3.813 -11.826 15.171 278 HE1 PHE 43 HE1 PHE 43 -6.826 -15.234 13.296 279 HE2 PHE 43 HE2 PHE 43 -6.058 -12.145 16.127 280 HZ PHE 43 HZ PHE 43 -7.566 -13.853 15.192 281 H GLN 44 H GLN 44 0.285 -14.034 13.926 282 HA GLN 44 HA GLN 44 1.827 -12.622 11.999 283 HB2 GLN 44 HB2 GLN 44 2.068 -12.310 14.432 284 HB3 GLN 44 HB3 GLN 44 2.613 -13.963 14.626 285 HG2 GLN 44 HG2 GLN 44 4.197 -12.023 12.931 286 HG3 GLN 44 HG3 GLN 44 4.331 -11.981 14.686 287 HE21 GLN 44 HE21 GLN 44 5.203 -13.831 15.766 288 HE22 GLN 44 HE22 GLN 44 6.233 -14.940 14.935 289 H LYS 45 H LYS 45 2.054 -15.950 13.288 290 HA LYS 45 HA LYS 45 4.355 -16.629 11.736 291 HB2 LYS 45 HB2 LYS 45 4.130 -18.878 12.624 292 HB3 LYS 45 HB3 LYS 45 3.856 -17.711 13.914 293 HG2 LYS 45 HG2 LYS 45 1.406 -18.066 13.701 294 HG3 LYS 45 HG3 LYS 45 1.697 -19.250 12.425 295 HD2 LYS 45 HD2 LYS 45 1.267 -20.380 14.552 296 HD3 LYS 45 HD3 LYS 45 2.925 -20.678 14.026 297 HE2 LYS 45 HE2 LYS 45 3.726 -18.938 15.612 298 HE3 LYS 45 HE3 LYS 45 2.062 -18.661 16.137 299 HZ1 LYS 45 HZ1 LYS 45 1.954 -20.878 16.972 300 HZ2 LYS 45 HZ2 LYS 45 3.327 -20.125 17.609 301 HZ3 LYS 45 HZ3 LYS 45 3.486 -21.250 16.360 302 H ALA 46 H ALA 46 0.873 -17.125 11.354 303 HA ALA 46 HA ALA 46 0.951 -18.810 9.071 304 HB1 ALA 46 HB1 ALA 46 -1.412 -18.162 8.780 305 HB2 ALA 46 HB2 ALA 46 -1.209 -16.870 9.967 306 HB3 ALA 46 HB3 ALA 46 -1.061 -18.557 10.465 307 H LEU 47 H LEU 47 0.828 -15.283 9.514 308 HA LEU 47 HA LEU 47 0.666 -14.455 6.835 309 HB2 LEU 47 HB2 LEU 47 0.331 -12.932 8.742 310 HB3 LEU 47 HB3 LEU 47 2.014 -13.111 9.208 311 HG LEU 47 HG LEU 47 2.716 -11.971 7.095 312 HD11 LEU 47 HD11 LEU 47 0.819 -12.548 5.653 313 HD12 LEU 47 HD12 LEU 47 1.049 -10.803 5.709 314 HD13 LEU 47 HD13 LEU 47 -0.260 -11.544 6.630 315 HD21 LEU 47 HD21 LEU 47 0.764 -10.364 8.795 316 HD22 LEU 47 HD22 LEU 47 2.021 -9.696 7.751 317 HD23 LEU 47 HD23 LEU 47 2.469 -10.655 9.159 318 H ARG 48 H ARG 48 3.536 -14.900 8.908 319 HA ARG 48 HA ARG 48 5.507 -14.262 7.027 320 HB2 ARG 48 HB2 ARG 48 6.167 -14.228 9.306 321 HB3 ARG 48 HB3 ARG 48 5.554 -15.848 9.611 322 HG2 ARG 48 HG2 ARG 48 7.408 -16.883 8.548 323 HG3 ARG 48 HG3 ARG 48 7.910 -15.389 7.757 324 HD2 ARG 48 HD2 ARG 48 7.963 -15.752 10.773 325 HD3 ARG 48 HD3 ARG 48 9.331 -16.161 9.730 326 HE ARG 48 HE ARG 48 8.442 -13.506 9.242 327 HH11 ARG 48 HH11 ARG 48 10.217 -15.314 11.686 328 HH12 ARG 48 HH12 ARG 48 11.248 -13.979 12.079 329 HH21 ARG 48 HH21 ARG 48 9.800 -11.813 9.741 330 HH22 ARG 48 HH22 ARG 48 11.013 -11.988 10.969 331 H SER 49 H SER 49 4.105 -17.398 7.906 332 HA SER 49 HA SER 49 5.726 -19.054 6.302 333 HB2 SER 49 HB2 SER 49 2.879 -19.461 7.291 334 HB3 SER 49 HB3 SER 49 3.867 -20.724 6.544 335 HG SER 49 HG SER 49 4.724 -19.249 8.802 336 H LEU 50 H LEU 50 2.732 -17.301 5.617 337 HA LEU 50 HA LEU 50 2.207 -18.360 3.033 338 HB2 LEU 50 HB2 LEU 50 0.683 -17.041 4.696 339 HB3 LEU 50 HB3 LEU 50 1.385 -15.598 3.998 340 HG LEU 50 HG LEU 50 -0.177 -17.673 2.393 341 HD11 LEU 50 HD11 LEU 50 -1.174 -15.056 3.558 342 HD12 LEU 50 HD12 LEU 50 -1.615 -16.678 4.103 343 HD13 LEU 50 HD13 LEU 50 -2.081 -16.137 2.493 344 HD21 LEU 50 HD21 LEU 50 -0.387 -15.909 0.676 345 HD22 LEU 50 HD22 LEU 50 1.300 -16.320 0.970 346 HD23 LEU 50 HD23 LEU 50 0.630 -14.837 1.646 347 H GLN 51 H GLN 51 4.000 -15.518 4.204 348 HA GLN 51 HA GLN 51 4.456 -14.224 1.745 349 HB2 GLN 51 HB2 GLN 51 6.164 -14.157 4.267 350 HB3 GLN 51 HB3 GLN 51 6.319 -13.030 2.922 351 HG2 GLN 51 HG2 GLN 51 3.933 -13.313 4.773 352 HG3 GLN 51 HG3 GLN 51 5.116 -12.014 4.782 353 HE21 GLN 51 HE21 GLN 51 2.401 -13.410 3.100 354 HE22 GLN 51 HE22 GLN 51 2.034 -12.030 2.130 355 H ARG 52 H ARG 52 6.274 -16.768 3.407 356 HA ARG 52 HA ARG 52 8.372 -16.777 1.354 357 HB2 ARG 52 HB2 ARG 52 9.518 -18.405 2.812 358 HB3 ARG 52 HB3 ARG 52 9.097 -16.932 3.679 359 HG2 ARG 52 HG2 ARG 52 7.103 -18.133 4.640 360 HG3 ARG 52 HG3 ARG 52 7.677 -19.614 3.870 361 HD2 ARG 52 HD2 ARG 52 8.312 -19.459 6.277 362 HD3 ARG 52 HD3 ARG 52 9.716 -19.577 5.209 363 HE ARG 52 HE ARG 52 9.103 -16.859 5.703 364 HH11 ARG 52 HH11 ARG 52 10.485 -19.606 7.402 365 HH12 ARG 52 HH12 ARG 52 11.489 -18.614 8.410 366 HH21 ARG 52 HH21 ARG 52 10.430 -15.593 6.976 367 HH22 ARG 52 HH22 ARG 52 11.455 -16.332 8.165 368 H TYR 53 H TYR 53 5.388 -18.372 1.904 369 HA TYR 53 HA TYR 53 6.066 -20.976 0.900 370 HB2 TYR 53 HB2 TYR 53 4.086 -20.382 2.433 371 HB3 TYR 53 HB3 TYR 53 3.269 -19.773 1.001 372 HD1 TYR 53 HD1 TYR 53 5.165 -22.870 2.020 373 HD2 TYR 53 HD2 TYR 53 1.715 -21.288 0.056 374 HE1 TYR 53 HE1 TYR 53 4.374 -25.152 1.581 375 HE2 TYR 53 HE2 TYR 53 0.927 -23.573 -0.384 376 HH TYR 53 HH TYR 53 1.809 -25.812 -0.582 377 HA PRO 54 HA PRO 54 6.099 -19.639 -3.421 378 HB2 PRO 54 HB2 PRO 54 6.759 -21.973 -4.600 379 HB3 PRO 54 HB3 PRO 54 7.884 -21.154 -3.504 380 HG2 PRO 54 HG2 PRO 54 6.006 -23.453 -2.917 381 HG3 PRO 54 HG3 PRO 54 7.733 -23.301 -2.520 382 HD2 PRO 54 HD2 PRO 54 5.731 -22.748 -0.722 383 HD3 PRO 54 HD3 PRO 54 7.317 -21.940 -0.677 384 H LEU 55 H LEU 55 3.413 -20.350 -2.270 385 HA LEU 55 HA LEU 55 2.019 -20.930 -4.774 386 HB2 LEU 55 HB2 LEU 55 2.361 -23.104 -3.419 387 HB3 LEU 55 HB3 LEU 55 1.317 -22.414 -2.202 388 HG LEU 55 HG LEU 55 0.239 -24.134 -3.699 389 HD11 LEU 55 HD11 LEU 55 -1.152 -22.587 -2.443 390 HD12 LEU 55 HD12 LEU 55 -1.885 -23.010 -3.988 391 HD13 LEU 55 HD13 LEU 55 -1.113 -21.435 -3.781 392 HD21 LEU 55 HD21 LEU 55 -0.438 -23.533 -5.970 393 HD22 LEU 55 HD22 LEU 55 1.315 -23.564 -5.811 394 HD23 LEU 55 HD23 LEU 55 0.463 -22.018 -5.856 395 HA PRO 56 HA PRO 56 -0.177 -17.388 -2.945 396 HB2 PRO 56 HB2 PRO 56 -2.062 -17.578 -5.229 397 HB3 PRO 56 HB3 PRO 56 -0.938 -16.279 -4.819 398 HG2 PRO 56 HG2 PRO 56 -0.549 -17.906 -6.959 399 HG3 PRO 56 HG3 PRO 56 0.797 -17.212 -6.037 400 HD2 PRO 56 HD2 PRO 56 -0.356 -19.996 -5.889 401 HD3 PRO 56 HD3 PRO 56 1.346 -19.472 -5.883 402 H LEU 57 H LEU 57 -1.187 -18.159 -1.137 403 HA LEU 57 HA LEU 57 -3.256 -20.146 -1.147 404 HB2 LEU 57 HB2 LEU 57 -2.491 -18.242 1.103 405 HB3 LEU 57 HB3 LEU 57 -3.428 -19.723 1.257 406 HG LEU 57 HG LEU 57 -0.462 -19.477 0.614 407 HD11 LEU 57 HD11 LEU 57 -1.884 -20.799 2.940 408 HD12 LEU 57 HD12 LEU 57 -1.000 -19.272 2.983 409 HD13 LEU 57 HD13 LEU 57 -0.139 -20.775 2.665 410 HD21 LEU 57 HD21 LEU 57 -1.332 -21.246 -0.813 411 HD22 LEU 57 HD22 LEU 57 -2.140 -22.007 0.558 412 HD23 LEU 57 HD23 LEU 57 -0.380 -21.945 0.491 413 H ARG 58 H ARG 58 -5.013 -19.620 -2.232 414 HA ARG 58 HA ARG 58 -6.492 -17.096 -1.708 415 HB2 ARG 58 HB2 ARG 58 -6.266 -18.789 -4.241 416 HB3 ARG 58 HB3 ARG 58 -7.357 -17.413 -4.072 417 HG2 ARG 58 HG2 ARG 58 -5.580 -15.846 -4.026 418 HG3 ARG 58 HG3 ARG 58 -4.375 -17.080 -3.646 419 HD2 ARG 58 HD2 ARG 58 -5.862 -16.890 -6.292 420 HD3 ARG 58 HD3 ARG 58 -4.238 -16.251 -5.996 421 HE ARG 58 HE ARG 58 -4.350 -18.992 -5.268 422 HH11 ARG 58 HH11 ARG 58 -4.285 -16.992 -8.158 423 HH12 ARG 58 HH12 ARG 58 -3.503 -18.209 -9.115 424 HH21 ARG 58 HH21 ARG 58 -3.329 -20.562 -6.538 425 HH22 ARG 58 HH22 ARG 58 -2.969 -20.229 -8.204 426 H SER 59 H SER 59 -6.514 -20.046 -0.626 427 HA SER 59 HA SER 59 -9.337 -20.159 -0.113 428 HB2 SER 59 HB2 SER 59 -9.192 -21.327 -2.347 429 HB3 SER 59 HB3 SER 59 -8.088 -22.500 -1.637 430 HG SER 59 HG SER 59 -10.834 -22.211 -1.331 431 H GLY 60 H GLY 60 -9.789 -21.461 1.713 432 HA2 GLY 60 HA2 GLY 60 -7.682 -21.902 3.578 433 HA3 GLY 60 HA3 GLY 60 -9.358 -22.399 3.770 434 H LYS 61 H LYS 61 -9.127 -23.943 1.153 435 HA LYS 61 HA LYS 61 -8.297 -26.496 1.905 436 HB2 LYS 61 HB2 LYS 61 -9.638 -26.059 -0.115 437 HB3 LYS 61 HB3 LYS 61 -8.299 -25.174 -0.844 438 HG2 LYS 61 HG2 LYS 61 -6.963 -27.312 -0.832 439 HG3 LYS 61 HG3 LYS 61 -8.408 -28.158 -0.266 440 HD2 LYS 61 HD2 LYS 61 -9.606 -27.472 -2.331 441 HD3 LYS 61 HD3 LYS 61 -8.157 -26.626 -2.890 442 HE2 LYS 61 HE2 LYS 61 -6.935 -28.793 -2.922 443 HE3 LYS 61 HE3 LYS 61 -8.407 -29.619 -2.406 444 HZ1 LYS 61 HZ1 LYS 61 -9.475 -28.900 -4.442 445 HZ2 LYS 61 HZ2 LYS 61 -8.077 -29.784 -4.781 446 HZ3 LYS 61 HZ3 LYS 61 -8.071 -28.101 -4.934 447 H GLU 62 H GLU 62 -6.526 -23.852 0.387 448 HA GLU 62 HA GLU 62 -4.057 -25.332 0.029 449 HB2 GLU 62 HB2 GLU 62 -4.565 -22.365 -0.455 450 HB3 GLU 62 HB3 GLU 62 -3.278 -23.362 -1.140 451 HG2 GLU 62 HG2 GLU 62 -4.928 -24.614 -2.464 452 HG3 GLU 62 HG3 GLU 62 -6.242 -23.683 -1.743 453 H ALA 63 H ALA 63 -5.451 -23.220 2.400 454 HA ALA 63 HA ALA 63 -2.909 -22.274 3.487 455 HB1 ALA 63 HB1 ALA 63 -5.758 -21.791 4.431 456 HB2 ALA 63 HB2 ALA 63 -4.805 -20.727 3.395 457 HB3 ALA 63 HB3 ALA 63 -4.310 -21.001 5.064 458 H LYS 64 H LYS 64 -5.364 -24.708 4.274 459 HA LYS 64 HA LYS 64 -4.613 -25.086 7.010 460 HB2 LYS 64 HB2 LYS 64 -6.878 -25.635 6.148 461 HB3 LYS 64 HB3 LYS 64 -6.196 -26.943 5.189 462 HG2 LYS 64 HG2 LYS 64 -5.586 -28.160 7.208 463 HG3 LYS 64 HG3 LYS 64 -6.070 -26.798 8.220 464 HD2 LYS 64 HD2 LYS 64 -7.782 -28.534 8.262 465 HD3 LYS 64 HD3 LYS 64 -8.418 -27.087 7.497 466 HE2 LYS 64 HE2 LYS 64 -8.065 -28.124 5.269 467 HE3 LYS 64 HE3 LYS 64 -7.436 -29.578 6.049 468 HZ1 LYS 64 HZ1 LYS 64 -9.725 -29.865 5.457 469 HZ2 LYS 64 HZ2 LYS 64 -10.173 -28.483 6.321 470 HZ3 LYS 64 HZ3 LYS 64 -9.587 -29.839 7.139 471 H ILE 65 H ILE 65 -3.392 -26.399 4.007 472 HA ILE 65 HA ILE 65 -2.137 -28.738 5.011 473 HB ILE 65 HB ILE 65 -0.748 -28.760 2.989 474 HG12 ILE 65 HG12 ILE 65 -1.820 -25.963 2.450 475 HG13 ILE 65 HG13 ILE 65 -0.149 -26.384 2.793 476 HG21 ILE 65 HG21 ILE 65 -3.597 -27.889 2.346 477 HG22 ILE 65 HG22 ILE 65 -3.105 -29.520 2.814 478 HG23 ILE 65 HG23 ILE 65 -2.541 -28.834 1.290 479 HD11 ILE 65 HD11 ILE 65 -0.445 -25.918 0.451 480 HD12 ILE 65 HD12 ILE 65 -1.718 -27.131 0.325 481 HD13 ILE 65 HD13 ILE 65 -0.055 -27.624 0.661 482 H LEU 66 H LEU 66 -1.343 -25.386 5.372 483 HA LEU 66 HA LEU 66 1.299 -25.980 6.533 484 HB2 LEU 66 HB2 LEU 66 -0.099 -23.279 6.325 485 HB3 LEU 66 HB3 LEU 66 1.569 -23.571 6.780 486 HG LEU 66 HG LEU 66 1.827 -24.527 4.339 487 HD11 LEU 66 HD11 LEU 66 -0.646 -22.823 3.926 488 HD12 LEU 66 HD12 LEU 66 -0.574 -24.578 3.783 489 HD13 LEU 66 HD13 LEU 66 0.340 -23.572 2.663 490 HD21 LEU 66 HD21 LEU 66 2.902 -22.468 5.117 491 HD22 LEU 66 HD22 LEU 66 1.435 -21.557 4.757 492 HD23 LEU 66 HD23 LEU 66 2.347 -22.320 3.452 493 H GLN 67 H GLN 67 1.431 -26.400 8.673 494 HA GLN 67 HA GLN 67 -0.931 -26.270 10.349 495 HB2 GLN 67 HB2 GLN 67 1.845 -27.391 10.886 496 HB3 GLN 67 HB3 GLN 67 0.485 -27.519 11.999 497 HG2 GLN 67 HG2 GLN 67 0.702 -28.768 9.239 498 HG3 GLN 67 HG3 GLN 67 0.726 -29.604 10.795 499 HE21 GLN 67 HE21 GLN 67 -1.270 -28.021 8.421 500 HE22 GLN 67 HE22 GLN 67 -2.792 -28.512 9.063 501 H HIS 68 H HIS 68 1.606 -24.108 9.755 502 HA HIS 68 HA HIS 68 1.681 -22.736 12.274 503 HB2 HIS 68 HB2 HIS 68 2.169 -21.687 9.449 504 HB3 HIS 68 HB3 HIS 68 2.500 -20.773 10.920 505 HD1 HIS 68 HD1 HIS 68 4.349 -22.425 8.524 506 HD2 HIS 68 HD2 HIS 68 4.277 -22.723 12.665 507 HE1 HIS 68 HE1 HIS 68 6.564 -23.411 9.159 508 HE2 HIS 68 HE2 HIS 68 6.564 -23.400 11.672 509 H PHE 69 H PHE 69 -0.507 -22.717 9.528 510 HA PHE 69 HA PHE 69 -2.331 -20.778 10.624 511 HB2 PHE 69 HB2 PHE 69 -2.724 -22.890 8.442 512 HB3 PHE 69 HB3 PHE 69 -3.897 -21.646 8.853 513 HD1 PHE 69 HD1 PHE 69 -0.237 -21.822 7.920 514 HD2 PHE 69 HD2 PHE 69 -3.973 -19.812 7.393 515 HE1 PHE 69 HE1 PHE 69 0.790 -20.329 6.261 516 HE2 PHE 69 HE2 PHE 69 -2.934 -18.331 5.736 517 HZ PHE 69 HZ PHE 69 -0.557 -18.586 5.166 518 H GLY 70 H GLY 70 -2.791 -24.275 9.926 519 HA2 GLY 70 HA2 GLY 70 -3.657 -25.984 11.239 520 HA3 GLY 70 HA3 GLY 70 -3.772 -24.873 12.600 521 H ASP 71 H ASP 71 -5.881 -26.057 12.859 522 HA ASP 71 HA ASP 71 -7.959 -25.946 10.933 523 HB2 ASP 71 HB2 ASP 71 -7.969 -27.616 12.756 524 HB3 ASP 71 HB3 ASP 71 -8.114 -26.340 13.957 525 H ARG 72 H ARG 72 -7.574 -24.089 13.966 526 HA ARG 72 HA ARG 72 -9.980 -22.662 13.841 527 HB2 ARG 72 HB2 ARG 72 -7.403 -21.750 15.198 528 HB3 ARG 72 HB3 ARG 72 -9.032 -21.199 15.582 529 HG2 ARG 72 HG2 ARG 72 -7.950 -24.006 16.002 530 HG3 ARG 72 HG3 ARG 72 -8.187 -22.782 17.252 531 HD2 ARG 72 HD2 ARG 72 -10.630 -22.821 16.776 532 HD3 ARG 72 HD3 ARG 72 -10.359 -24.108 15.589 533 HE ARG 72 HE ARG 72 -9.721 -24.370 18.474 534 HH11 ARG 72 HH11 ARG 72 -10.990 -25.805 15.531 535 HH12 ARG 72 HH12 ARG 72 -11.410 -27.294 16.308 536 HH21 ARG 72 HH21 ARG 72 -10.225 -26.329 19.457 537 HH22 ARG 72 HH22 ARG 72 -10.969 -27.596 18.526 538 H LEU 73 H LEU 73 -6.714 -21.683 12.917 539 HA LEU 73 HA LEU 73 -7.218 -19.014 12.174 540 HB2 LEU 73 HB2 LEU 73 -4.994 -20.166 12.726 541 HB3 LEU 73 HB3 LEU 73 -5.036 -20.868 11.131 542 HG LEU 73 HG LEU 73 -3.461 -19.014 11.216 543 HD11 LEU 73 HD11 LEU 73 -4.130 -17.667 9.342 544 HD12 LEU 73 HD12 LEU 73 -5.823 -18.135 9.551 545 HD13 LEU 73 HD13 LEU 73 -4.621 -19.340 9.083 546 HD21 LEU 73 HD21 LEU 73 -4.430 -17.779 13.052 547 HD22 LEU 73 HD22 LEU 73 -5.766 -17.250 12.024 548 HD23 LEU 73 HD23 LEU 73 -4.114 -16.729 11.673 549 H CYS 74 H CYS 74 -6.847 -21.986 10.220 550 HA CYS 74 HA CYS 74 -7.063 -20.602 7.723 551 HB2 CYS 74 HB2 CYS 74 -5.674 -22.597 7.946 552 HB3 CYS 74 HB3 CYS 74 -7.090 -23.578 8.329 553 HG CYS 74 HG CYS 74 -7.737 -24.114 5.920 554 H ARG 75 H ARG 75 -9.303 -22.356 9.752 555 HA ARG 75 HA ARG 75 -11.422 -22.653 7.886 556 HB2 ARG 75 HB2 ARG 75 -11.383 -24.052 9.827 557 HB3 ARG 75 HB3 ARG 75 -11.346 -22.674 10.916 558 HG2 ARG 75 HG2 ARG 75 -13.647 -22.153 10.482 559 HG3 ARG 75 HG3 ARG 75 -13.715 -23.278 9.124 560 HD2 ARG 75 HD2 ARG 75 -14.808 -24.059 11.306 561 HD3 ARG 75 HD3 ARG 75 -13.674 -25.179 10.555 562 HE ARG 75 HE ARG 75 -12.143 -24.815 12.271 563 HH11 ARG 75 HH11 ARG 75 -14.983 -22.792 12.815 564 HH12 ARG 75 HH12 ARG 75 -14.601 -22.524 14.486 565 HH21 ARG 75 HH21 ARG 75 -11.666 -24.440 14.407 566 HH22 ARG 75 HH22 ARG 75 -12.713 -23.458 15.388 567 H MET 76 H MET 76 -10.675 -20.153 10.338 568 HA MET 76 HA MET 76 -12.959 -18.516 9.790 569 HB2 MET 76 HB2 MET 76 -10.282 -17.865 11.082 570 HB3 MET 76 HB3 MET 76 -11.603 -16.710 10.959 571 HG2 MET 76 HG2 MET 76 -13.030 -18.306 12.270 572 HG3 MET 76 HG3 MET 76 -11.599 -19.308 12.503 573 HE1 MET 76 HE1 MET 76 -13.118 -15.682 13.142 574 HE2 MET 76 HE2 MET 76 -11.545 -15.332 12.422 575 HE3 MET 76 HE3 MET 76 -11.841 -14.961 14.121 576 H LEU 77 H LEU 77 -9.657 -18.615 8.592 577 HA LEU 77 HA LEU 77 -9.681 -16.317 6.963 578 HB2 LEU 77 HB2 LEU 77 -7.780 -18.044 7.786 579 HB3 LEU 77 HB3 LEU 77 -8.059 -18.746 6.216 580 HG LEU 77 HG LEU 77 -7.377 -16.669 5.104 581 HD11 LEU 77 HD11 LEU 77 -8.233 -15.021 6.703 582 HD12 LEU 77 HD12 LEU 77 -6.526 -14.736 6.376 583 HD13 LEU 77 HD13 LEU 77 -7.015 -15.508 7.888 584 HD21 LEU 77 HD21 LEU 77 -5.010 -16.638 5.757 585 HD22 LEU 77 HD22 LEU 77 -5.626 -18.288 5.701 586 HD23 LEU 77 HD23 LEU 77 -5.400 -17.485 7.256 587 H ASP 78 H ASP 78 -10.693 -19.631 6.435 588 HA ASP 78 HA ASP 78 -11.231 -19.439 3.618 589 HB2 ASP 78 HB2 ASP 78 -10.676 -21.600 4.732 590 HB3 ASP 78 HB3 ASP 78 -12.167 -21.504 5.660 591 H GLU 79 H GLU 79 -13.128 -19.040 6.583 592 HA GLU 79 HA GLU 79 -15.718 -18.842 5.395 593 HB2 GLU 79 HB2 GLU 79 -14.625 -17.824 8.051 594 HB3 GLU 79 HB3 GLU 79 -16.317 -17.654 7.588 595 HG2 GLU 79 HG2 GLU 79 -16.600 -20.058 7.505 596 HG3 GLU 79 HG3 GLU 79 -14.880 -20.318 7.784 597 H LYS 80 H LYS 80 -13.267 -16.473 6.255 598 HA LYS 80 HA LYS 80 -14.515 -14.117 5.329 599 HB2 LYS 80 HB2 LYS 80 -11.598 -14.919 5.572 600 HB3 LYS 80 HB3 LYS 80 -12.097 -13.296 5.114 601 HG2 LYS 80 HG2 LYS 80 -12.862 -14.646 7.720 602 HG3 LYS 80 HG3 LYS 80 -11.487 -13.559 7.523 603 HD2 LYS 80 HD2 LYS 80 -14.421 -12.835 7.127 604 HD3 LYS 80 HD3 LYS 80 -13.397 -12.360 8.484 605 HE2 LYS 80 HE2 LYS 80 -11.906 -11.165 6.787 606 HE3 LYS 80 HE3 LYS 80 -13.171 -11.466 5.587 607 HZ1 LYS 80 HZ1 LYS 80 -13.373 -9.286 6.547 608 HZ2 LYS 80 HZ2 LYS 80 -13.461 -9.929 8.105 609 HZ3 LYS 80 HZ3 LYS 80 -14.705 -10.226 7.002 610 H LEU 81 H LEU 81 -12.305 -16.419 3.749 611 HA LEU 81 HA LEU 81 -12.092 -15.208 1.235 612 HB2 LEU 81 HB2 LEU 81 -10.677 -17.066 2.169 613 HB3 LEU 81 HB3 LEU 81 -11.997 -18.181 1.908 614 HG LEU 81 HG LEU 81 -10.002 -18.152 0.236 615 HD11 LEU 81 HD11 LEU 81 -11.964 -19.492 -0.175 616 HD12 LEU 81 HD12 LEU 81 -11.386 -18.772 -1.675 617 HD13 LEU 81 HD13 LEU 81 -12.812 -18.109 -0.867 618 HD21 LEU 81 HD21 LEU 81 -11.502 -15.769 -0.887 619 HD22 LEU 81 HD22 LEU 81 -10.127 -16.597 -1.622 620 HD23 LEU 81 HD23 LEU 81 -9.918 -15.725 -0.108 621 H LYS 82 H LYS 82 -14.469 -17.377 2.604 622 HA LYS 82 HA LYS 82 -15.931 -17.977 0.242 623 HB2 LYS 82 HB2 LYS 82 -15.855 -19.301 2.452 624 HB3 LYS 82 HB3 LYS 82 -16.979 -18.121 3.104 625 HG2 LYS 82 HG2 LYS 82 -17.600 -19.730 0.610 626 HG3 LYS 82 HG3 LYS 82 -17.912 -20.366 2.227 627 HD2 LYS 82 HD2 LYS 82 -19.455 -18.472 2.661 628 HD3 LYS 82 HD3 LYS 82 -19.124 -17.831 1.048 629 HE2 LYS 82 HE2 LYS 82 -20.494 -20.455 1.720 630 HE3 LYS 82 HE3 LYS 82 -21.222 -19.028 0.977 631 HZ1 LYS 82 HZ1 LYS 82 -19.793 -19.353 -0.946 632 HZ2 LYS 82 HZ2 LYS 82 -20.737 -20.723 -0.664 633 HZ3 LYS 82 HZ3 LYS 82 -19.102 -20.722 -0.239 634 H GLN 83 H GLN 83 -16.220 -15.477 2.807 635 HA GLN 83 HA GLN 83 -18.810 -14.592 1.898 636 HB2 GLN 83 HB2 GLN 83 -18.827 -13.096 3.696 637 HB3 GLN 83 HB3 GLN 83 -17.793 -14.371 4.308 638 HG2 GLN 83 HG2 GLN 83 -16.496 -12.617 4.957 639 HG3 GLN 83 HG3 GLN 83 -15.888 -12.718 3.313 640 HE21 GLN 83 HE21 GLN 83 -15.907 -10.399 5.033 641 HE22 GLN 83 HE22 GLN 83 -16.845 -9.182 4.247 642 H HIS 84 H HIS 84 -15.466 -13.690 1.367 643 HA HIS 84 HA HIS 84 -15.771 -11.387 -0.191 644 HB2 HIS 84 HB2 HIS 84 -13.579 -12.149 0.632 645 HB3 HIS 84 HB3 HIS 84 -13.669 -13.594 -0.373 646 HD1 HIS 84 HD1 HIS 84 -13.163 -13.311 -2.895 647 HD2 HIS 84 HD2 HIS 84 -12.919 -9.779 -0.734 648 HE1 HIS 84 HE1 HIS 84 -12.096 -11.654 -4.444 649 HE2 HIS 84 HE2 HIS 84 -12.074 -9.494 -3.151 650 H LEU 85 H LEU 85 -15.617 -14.827 -1.212 651 HA LEU 85 HA LEU 85 -15.934 -14.238 -4.000 652 HB2 LEU 85 HB2 LEU 85 -16.209 -16.888 -2.541 653 HB3 LEU 85 HB3 LEU 85 -16.169 -16.702 -4.288 654 HG LEU 85 HG LEU 85 -13.883 -16.235 -2.332 655 HD11 LEU 85 HD11 LEU 85 -14.289 -18.571 -2.909 656 HD12 LEU 85 HD12 LEU 85 -12.759 -18.014 -3.582 657 HD13 LEU 85 HD13 LEU 85 -14.172 -18.192 -4.629 658 HD21 LEU 85 HD21 LEU 85 -13.751 -14.452 -3.993 659 HD22 LEU 85 HD22 LEU 85 -13.878 -15.624 -5.307 660 HD23 LEU 85 HD23 LEU 85 -12.461 -15.625 -4.253 661 H ALA 86 H ALA 86 -18.172 -15.074 -1.420 662 HA ALA 86 HA ALA 86 -20.370 -15.689 -3.233 663 HB1 ALA 86 HB1 ALA 86 -21.624 -16.286 -1.218 664 HB2 ALA 86 HB2 ALA 86 -20.347 -15.620 -0.195 665 HB3 ALA 86 HB3 ALA 86 -20.029 -17.048 -1.180 666 H SER 87 H SER 87 -19.927 -13.401 -0.492 667 HA SER 87 HA SER 87 -22.267 -11.888 -1.219 668 HB2 SER 87 HB2 SER 87 -20.127 -11.297 0.860 669 HB3 SER 87 HB3 SER 87 -21.700 -10.500 0.751 670 HG SER 87 HG SER 87 -22.501 -12.822 0.916 671 H GLY 88 H GLY 88 -18.770 -11.511 -1.718 672 HA2 GLY 88 HA2 GLY 88 -19.110 -8.789 -2.834 673 HA3 GLY 88 HA3 GLY 88 -17.594 -9.583 -2.435 674 H GLY 89 H GLY 89 -19.373 -11.865 -4.028 675 HA2 GLY 89 HA2 GLY 89 -18.073 -11.239 -6.633 676 HA3 GLY 89 HA3 GLY 89 -18.361 -12.852 -6.006 677 H ASP 90 H ASP 90 -20.767 -13.321 -5.531 678 HA ASP 90 HA ASP 90 -22.476 -12.252 -7.715 679 HB2 ASP 90 HB2 ASP 90 -22.095 -15.163 -6.886 680 HB3 ASP 90 HB3 ASP 90 -23.428 -14.618 -7.898
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