REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2hwz_1_L DATA FIRST_RESID 4 DATA SEQUENCE MTQSPSTLSA SVGDRVTITc KCQXLSVGYM HWYQQKPGKA PKLLIYDTSK DATA SEQUENCE LASGVPSRFS GSGSGTAFTL TISSLQPDDF ATYYcFQGSG YPFTFGGGTK DATA SEQUENCE LEKRTVAAPS VFIFPPSDEQ LKSGTASVVc LLNNFYPREA KVQWKVDNAL DATA SEQUENCE QSGNSQESVT EQDSKDSTYS LSSTLTLSKA DYEKHKVYAc EVTHQGLSSP DATA SEQUENCE VTKSFNRGEC VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 4 M C 0.000 176.351 176.300 0.086 0.000 1.140 4 M CA 0.000 55.335 55.300 0.059 0.000 0.988 4 M CB 0.000 32.617 32.600 0.029 0.000 1.302 5 T N 1.306 115.914 114.554 0.089 0.000 2.756 5 T HA 0.508 4.858 4.350 0.001 0.000 0.290 5 T C -1.050 173.729 174.700 0.133 0.000 0.985 5 T CA -0.435 61.728 62.100 0.104 0.000 0.955 5 T CB 1.288 70.209 68.868 0.089 0.000 0.930 5 T HN 0.531 8.771 8.240 -0.000 0.000 0.451 6 Q N 2.320 122.210 119.800 0.150 0.000 2.306 6 Q HA 0.687 5.027 4.340 0.001 0.000 0.265 6 Q C -0.973 175.123 176.000 0.160 0.000 1.022 6 Q CA -0.681 55.237 55.803 0.191 0.000 0.853 6 Q CB 1.222 30.096 28.738 0.228 0.000 1.327 6 Q HN 0.798 9.068 8.270 -0.000 0.000 0.449 7 S N 2.564 118.363 115.700 0.165 0.000 2.537 7 S HA 0.679 5.149 4.470 0.001 0.000 0.270 7 S C -2.962 171.703 174.600 0.109 0.000 1.142 7 S CA -1.238 57.034 58.200 0.120 0.000 0.870 7 S CB 2.013 65.271 63.200 0.097 0.000 1.112 7 S HN 0.519 8.829 8.310 -0.000 0.000 0.466 8 P HA 0.273 4.693 4.420 -0.000 0.000 0.281 8 P C 0.984 178.335 177.300 0.085 0.000 1.249 8 P CA -0.510 62.636 63.100 0.076 0.000 0.810 8 P CB 1.401 33.136 31.700 0.060 0.000 1.008 9 S N 0.875 116.623 115.700 0.080 0.000 2.402 9 S HA -0.031 4.439 4.470 0.001 0.000 0.229 9 S C 0.872 175.517 174.600 0.074 0.000 1.021 9 S CA 1.197 59.444 58.200 0.078 0.000 0.974 9 S CB -1.155 62.089 63.200 0.073 0.000 0.800 9 S HN 0.749 9.059 8.310 -0.000 0.000 0.484 10 T N -0.829 113.771 114.554 0.076 0.000 2.900 10 T HA 0.747 5.098 4.350 0.001 0.000 0.303 10 T C -1.309 173.442 174.700 0.085 0.000 1.142 10 T CA -0.847 61.304 62.100 0.085 0.000 1.007 10 T CB 1.821 70.739 68.868 0.083 0.000 1.156 10 T HN 0.396 8.636 8.240 -0.000 0.000 0.490 11 L N 0.736 122.021 121.223 0.102 0.000 2.592 11 L HA 0.693 5.033 4.340 0.001 0.000 0.258 11 L C -1.476 175.466 176.870 0.120 0.000 0.926 11 L CA -0.188 54.708 54.840 0.093 0.000 0.885 11 L CB 2.415 44.518 42.059 0.074 0.000 1.380 11 L HN 0.925 9.155 8.230 -0.000 0.000 0.415 12 S N 3.086 118.852 115.700 0.110 0.000 2.519 12 S HA 1.006 5.477 4.470 0.001 0.000 0.309 12 S C -0.690 173.969 174.600 0.099 0.000 1.100 12 S CA -0.142 58.138 58.200 0.133 0.000 1.059 12 S CB 1.626 64.913 63.200 0.145 0.000 1.008 12 S HN 0.980 9.290 8.310 -0.000 0.000 0.478 13 A N 2.150 125.025 122.820 0.091 0.000 2.572 13 A HA 0.833 5.153 4.320 0.001 0.000 0.295 13 A C -0.268 177.340 177.584 0.040 0.000 1.072 13 A CA -0.799 51.270 52.037 0.053 0.000 0.691 13 A CB 1.221 20.238 19.000 0.030 0.000 1.291 13 A HN 0.628 8.778 8.150 -0.000 0.000 0.404 14 S N -0.243 115.468 115.700 0.018 0.000 2.614 14 S HA 0.456 4.926 4.470 0.001 0.000 0.265 14 S C 0.405 174.995 174.600 -0.018 0.000 1.303 14 S CA -0.602 57.596 58.200 -0.004 0.000 1.000 14 S CB 1.104 64.300 63.200 -0.007 0.000 0.935 14 S HN 0.715 9.025 8.310 -0.000 0.000 0.551 15 V N 1.726 121.621 119.914 -0.032 0.000 2.763 15 V HA 0.418 4.538 4.120 0.001 0.000 0.306 15 V C 1.513 177.583 176.094 -0.039 0.000 1.059 15 V CA 1.507 63.785 62.300 -0.037 0.000 1.138 15 V CB 0.076 31.873 31.823 -0.043 0.000 0.940 15 V HN 1.275 9.465 8.190 -0.000 0.000 0.489 16 G N 3.638 112.409 108.800 -0.049 0.000 2.241 16 G HA2 -0.204 3.756 3.960 0.001 0.000 0.244 16 G HA3 -0.204 3.756 3.960 0.001 0.000 0.244 16 G C -0.002 174.864 174.900 -0.057 0.000 0.998 16 G CA 0.124 45.193 45.100 -0.053 0.000 0.621 16 G HN 0.694 8.984 8.290 -0.000 0.000 0.519 17 D N 0.208 120.577 120.400 -0.051 0.000 2.378 17 D HA 0.464 5.104 4.640 0.001 0.000 0.238 17 D C 0.866 177.121 176.300 -0.075 0.000 1.180 17 D CA 0.086 54.056 54.000 -0.051 0.000 0.895 17 D CB 0.469 41.248 40.800 -0.035 0.000 1.192 17 D HN 0.506 8.876 8.370 -0.000 0.000 0.438 18 R N 0.721 121.177 120.500 -0.073 0.000 2.346 18 R HA 0.551 4.891 4.340 0.001 0.000 0.311 18 R C -1.570 174.675 176.300 -0.093 0.000 0.983 18 R CA -0.609 55.434 56.100 -0.095 0.000 0.880 18 R CB 0.739 30.990 30.300 -0.082 0.000 1.100 18 R HN 0.177 8.447 8.270 -0.000 0.000 0.453 19 V N 3.234 123.073 119.914 -0.126 0.000 2.656 19 V HA 0.447 4.567 4.120 0.001 0.000 0.307 19 V C -0.606 175.398 176.094 -0.151 0.000 1.051 19 V CA -0.651 61.576 62.300 -0.122 0.000 0.893 19 V CB 2.371 34.116 31.823 -0.130 0.000 0.999 19 V HN 0.868 9.058 8.190 -0.000 0.000 0.426 20 T N 5.648 120.129 114.554 -0.121 0.000 2.841 20 T HA 0.669 5.019 4.350 0.001 0.000 0.285 20 T C -0.540 174.095 174.700 -0.109 0.000 0.991 20 T CA -0.183 61.838 62.100 -0.132 0.000 0.966 20 T CB 1.101 69.917 68.868 -0.087 0.000 0.962 20 T HN 0.380 8.620 8.240 -0.000 0.000 0.438 21 I N 2.423 122.893 120.570 -0.167 0.000 2.441 21 I HA 0.499 4.670 4.170 0.001 0.000 0.295 21 I C 0.097 176.227 176.117 0.021 0.000 0.994 21 I CA -0.663 60.591 61.300 -0.078 0.000 1.144 21 I CB 2.097 40.012 38.000 -0.142 0.000 1.314 21 I HN 0.483 8.693 8.210 -0.000 0.000 0.445 22 T N 4.028 118.691 114.554 0.182 0.000 2.861 22 T HA 0.397 4.747 4.350 0.001 0.000 0.287 22 T C -1.015 173.906 174.700 0.368 0.000 1.003 22 T CA -0.351 61.913 62.100 0.274 0.000 0.977 22 T CB 1.321 70.281 68.868 0.153 0.000 0.996 22 T HN 0.506 8.746 8.240 -0.000 0.000 0.448 23 c N 3.520 122.379 118.600 0.432 0.000 2.340 23 c HA 0.551 5.121 4.570 0.001 0.000 0.323 23 c C -0.024 174.219 174.090 0.254 0.000 1.260 23 c CA -1.014 55.489 56.329 0.291 0.000 1.464 23 c CB 0.166 42.769 42.510 0.156 0.000 2.156 23 c HN 0.806 9.036 8.230 -0.000 0.000 0.476 24 K N 2.168 122.674 120.400 0.176 0.000 2.307 24 K HA 0.546 4.867 4.320 0.001 0.000 0.263 24 K C -0.665 176.002 176.600 0.111 0.000 0.973 24 K CA -0.231 56.144 56.287 0.147 0.000 0.846 24 K CB 1.678 34.242 32.500 0.107 0.000 1.100 24 K HN 0.709 8.959 8.250 -0.000 0.000 0.438 25 C N 3.343 122.711 119.300 0.113 0.000 2.397 25 C HA 0.333 4.793 4.460 0.001 0.000 0.343 25 C C 0.006 175.032 174.990 0.059 0.000 1.188 25 C CA -0.584 58.474 59.018 0.066 0.000 1.992 25 C CB 0.836 28.600 27.740 0.040 0.000 2.358 25 C HN 0.816 9.046 8.230 -0.000 0.000 0.518 29 S N 0.595 116.313 115.700 0.031 0.000 2.568 29 S HA 0.496 4.966 4.470 0.001 0.000 0.282 29 S C -0.350 174.274 174.600 0.039 0.000 1.338 29 S CA -0.223 58.010 58.200 0.054 0.000 1.045 29 S CB 0.572 63.794 63.200 0.037 0.000 0.873 29 S HN 0.319 8.629 8.310 -0.000 0.000 0.516 30 V N 4.092 124.073 119.914 0.112 0.000 2.680 30 V HA 0.483 4.604 4.120 0.001 0.000 0.309 30 V C 1.299 177.413 176.094 0.033 0.000 1.052 30 V CA -0.289 62.001 62.300 -0.017 0.000 0.908 30 V CB 1.601 33.334 31.823 -0.151 0.000 1.001 30 V HN 1.016 9.206 8.190 -0.000 0.000 0.431 31 G N 3.065 111.754 108.800 -0.185 0.000 2.454 31 G HA2 -0.004 3.956 3.960 0.001 0.000 0.214 31 G HA3 -0.004 3.956 3.960 0.001 0.000 0.214 31 G C 0.200 175.102 174.900 0.003 0.000 1.217 31 G CA 1.510 46.551 45.100 -0.099 0.000 0.799 31 G HN 0.807 9.097 8.290 -0.000 0.000 0.538 32 Y N -3.048 117.184 120.300 -0.112 0.000 2.615 32 Y HA 0.821 5.371 4.550 0.001 0.000 0.341 32 Y C -0.786 174.852 175.900 -0.438 0.000 1.089 32 Y CA -2.383 55.624 58.100 -0.155 0.000 1.049 32 Y CB 1.516 39.943 38.460 -0.055 0.000 1.296 32 Y HN 0.088 8.368 8.280 -0.000 0.000 0.470 33 M N 1.388 120.860 119.600 -0.214 0.000 2.530 33 M HA 0.531 5.011 4.480 0.001 0.000 0.307 33 M C -2.016 174.211 176.300 -0.122 0.000 1.161 33 M CA -0.444 54.633 55.300 -0.372 0.000 0.903 33 M CB 1.770 33.973 32.600 -0.660 0.000 1.711 33 M HN 0.863 9.153 8.290 -0.000 0.000 0.451 34 H N 1.146 120.085 119.070 -0.218 0.000 2.569 34 H HA 0.668 5.225 4.556 0.001 0.000 0.357 34 H C -1.831 173.307 175.328 -0.317 0.000 1.153 34 H CA 0.143 56.134 56.048 -0.095 0.000 1.193 34 H CB 1.338 31.185 29.762 0.142 0.000 1.602 34 H HN 0.693 8.973 8.280 -0.000 0.000 0.523 35 W N 2.239 123.482 121.300 -0.095 0.000 2.785 35 W HA 0.475 5.135 4.660 0.000 0.000 0.333 35 W C -1.277 175.058 176.519 -0.307 0.000 1.062 35 W CA -0.552 56.781 57.345 -0.020 0.000 1.233 35 W CB 1.157 30.640 29.460 0.038 0.000 1.413 35 W HN 0.461 8.641 8.180 -0.000 0.000 0.489 36 Y N 1.038 121.638 120.300 0.500 0.000 2.499 36 Y HA 0.407 4.957 4.550 0.001 0.000 0.347 36 Y C -0.122 175.938 175.900 0.266 0.000 0.987 36 Y CA -1.360 56.936 58.100 0.326 0.000 1.044 36 Y CB 2.202 40.828 38.460 0.276 0.000 1.245 36 Y HN 0.273 8.553 8.280 -0.000 0.000 0.461 37 Q N 2.852 122.773 119.800 0.202 0.000 2.333 37 Q HA 0.320 4.661 4.340 0.001 0.000 0.268 37 Q C -1.492 174.447 176.000 -0.101 0.000 1.007 37 Q CA -0.769 54.959 55.803 -0.126 0.000 0.810 37 Q CB 1.649 30.295 28.738 -0.153 0.000 1.264 37 Q HN 0.797 9.067 8.270 -0.000 0.000 0.452 38 Q N 4.078 123.763 119.800 -0.191 0.000 2.327 38 Q HA 0.293 4.634 4.340 0.001 0.000 0.270 38 Q C -1.129 174.751 176.000 -0.199 0.000 1.022 38 Q CA -0.803 54.938 55.803 -0.105 0.000 0.773 38 Q CB 1.168 29.928 28.738 0.037 0.000 1.251 38 Q HN 0.387 8.657 8.270 -0.000 0.000 0.457 39 K N 4.544 124.853 120.400 -0.153 0.000 2.270 39 K HA 0.285 4.606 4.320 0.001 0.000 0.276 39 K C -2.358 174.186 176.600 -0.093 0.000 1.023 39 K CA -1.813 54.380 56.287 -0.156 0.000 0.955 39 K CB 0.678 33.140 32.500 -0.062 0.000 0.975 39 K HN 0.566 8.816 8.250 -0.000 0.000 0.471 40 P HA -0.158 4.262 4.420 -0.000 0.000 0.257 40 P C 0.579 177.890 177.300 0.019 0.000 1.153 40 P CA 0.938 64.044 63.100 0.010 0.000 0.762 40 P CB 0.039 31.813 31.700 0.123 0.000 0.743 41 G N 1.899 110.703 108.800 0.007 0.000 2.186 41 G HA2 -0.307 3.653 3.960 0.001 0.000 0.266 41 G HA3 -0.307 3.653 3.960 0.001 0.000 0.266 41 G C 0.243 175.134 174.900 -0.014 0.000 0.982 41 G CA 0.675 45.775 45.100 -0.001 0.000 0.670 41 G HN 0.752 9.042 8.290 -0.000 0.000 0.533 42 K N 0.219 120.607 120.400 -0.021 0.000 2.185 42 K HA 0.765 5.085 4.320 0.001 0.000 0.240 42 K C 0.709 177.283 176.600 -0.043 0.000 0.983 42 K CA -0.225 56.047 56.287 -0.025 0.000 0.873 42 K CB 1.245 33.735 32.500 -0.017 0.000 1.118 42 K HN 0.448 8.698 8.250 -0.000 0.000 0.441 43 A N 3.033 125.826 122.820 -0.045 0.000 2.445 43 A HA 0.320 4.641 4.320 0.001 0.000 0.242 43 A C -2.308 175.246 177.584 -0.049 0.000 1.075 43 A CA -1.047 50.953 52.037 -0.063 0.000 0.777 43 A CB -0.362 18.605 19.000 -0.056 0.000 1.013 43 A HN 0.477 8.627 8.150 -0.000 0.000 0.493 44 P HA 0.186 4.606 4.420 -0.000 0.000 0.269 44 P C -0.562 176.786 177.300 0.081 0.000 1.209 44 P CA 0.020 63.118 63.100 -0.003 0.000 0.776 44 P CB 0.480 32.120 31.700 -0.101 0.000 0.876 45 K N 3.008 123.493 120.400 0.143 0.000 2.274 45 K HA 0.342 4.662 4.320 0.001 0.000 0.262 45 K C -0.796 175.936 176.600 0.220 0.000 0.961 45 K CA -0.985 55.386 56.287 0.140 0.000 0.833 45 K CB 0.709 33.236 32.500 0.046 0.000 1.102 45 K HN 0.265 8.515 8.250 -0.000 0.000 0.436 46 L N 5.970 127.329 121.223 0.225 0.000 2.477 46 L HA 0.073 4.413 4.340 0.001 0.000 0.272 46 L C 0.052 176.905 176.870 -0.029 0.000 1.157 46 L CA 0.690 55.566 54.840 0.060 0.000 0.889 46 L CB 0.302 42.449 42.059 0.147 0.000 1.158 46 L HN 0.866 9.096 8.230 -0.000 0.000 0.473 47 L N 5.253 126.408 121.223 -0.114 0.000 2.433 47 L HA 0.310 4.650 4.340 0.001 0.000 0.200 47 L C -0.030 176.797 176.870 -0.071 0.000 1.059 47 L CA 0.041 54.811 54.840 -0.117 0.000 0.835 47 L CB 0.167 42.117 42.059 -0.182 0.000 1.076 47 L HN 0.445 8.675 8.230 -0.000 0.000 0.481 48 I N -0.305 120.241 120.570 -0.040 0.000 2.619 48 I HA 0.281 4.451 4.170 0.001 0.000 0.292 48 I C -1.045 175.006 176.117 -0.109 0.000 1.100 48 I CA -0.659 60.605 61.300 -0.061 0.000 1.043 48 I CB 1.793 39.844 38.000 0.085 0.000 1.239 48 I HN 0.006 8.216 8.210 -0.000 0.000 0.420 49 Y N 1.714 121.868 120.300 -0.242 0.000 2.630 49 Y HA 0.603 5.153 4.550 0.000 0.000 0.337 49 Y C 0.404 176.035 175.900 -0.449 0.000 1.051 49 Y CA -1.528 56.184 58.100 -0.648 0.000 1.121 49 Y CB 0.534 38.752 38.460 -0.404 0.000 1.299 49 Y HN 0.642 8.922 8.280 -0.000 0.000 0.498 50 D N 0.749 120.956 120.400 -0.321 0.000 2.701 50 D HA -0.253 4.387 4.640 0.001 0.000 0.235 50 D C 0.630 176.908 176.300 -0.037 0.000 1.155 50 D CA 1.924 55.834 54.000 -0.150 0.000 0.649 50 D CB -1.218 39.576 40.800 -0.010 0.000 1.050 50 D HN 0.978 9.348 8.370 -0.000 0.000 0.425 51 T N -2.542 112.019 114.554 0.013 0.000 12.209 51 T HA -0.333 4.017 4.350 0.001 0.000 0.417 51 T C 0.995 175.770 174.700 0.126 0.000 1.458 51 T CA 2.955 65.152 62.100 0.162 0.000 2.409 51 T CB -1.608 67.437 68.868 0.295 0.000 2.842 51 T HN 0.815 9.055 8.240 -0.000 0.000 0.841 52 S N -0.750 114.944 115.700 -0.009 0.000 2.847 52 S HA 0.354 4.824 4.470 0.001 0.000 0.254 52 S C -0.085 174.407 174.600 -0.180 0.000 1.039 52 S CA -0.658 57.512 58.200 -0.051 0.000 1.113 52 S CB 0.692 63.885 63.200 -0.012 0.000 1.092 52 S HN 0.278 8.588 8.310 -0.000 0.000 0.620 53 K N 2.305 122.473 120.400 -0.386 0.000 2.285 53 K HA 0.330 4.651 4.320 0.001 0.000 0.286 53 K C -0.471 175.758 176.600 -0.619 0.000 1.072 53 K CA -0.291 55.619 56.287 -0.629 0.000 0.913 53 K CB 1.047 32.804 32.500 -1.238 0.000 1.067 53 K HN 0.391 8.641 8.250 -0.000 0.000 0.479 54 L N 2.927 123.962 121.223 -0.313 0.000 2.462 54 L HA 0.034 4.374 4.340 0.001 0.000 0.272 54 L C 0.661 177.460 176.870 -0.119 0.000 1.166 54 L CA -0.106 54.635 54.840 -0.164 0.000 0.880 54 L CB 0.709 42.733 42.059 -0.060 0.000 1.142 54 L HN 0.684 8.914 8.230 -0.000 0.000 0.473 55 A N 3.641 126.447 122.820 -0.024 0.000 2.327 55 A HA 0.314 4.634 4.320 0.001 0.000 0.255 55 A C 0.401 178.042 177.584 0.096 0.000 1.099 55 A CA -0.202 51.921 52.037 0.143 0.000 0.801 55 A CB 0.358 19.448 19.000 0.151 0.000 1.062 55 A HN 0.796 8.946 8.150 -0.000 0.000 0.496 56 S N -0.104 115.663 115.700 0.112 0.000 2.549 56 S HA 0.452 4.922 4.470 0.001 0.000 0.283 56 S C 0.933 175.564 174.600 0.053 0.000 1.320 56 S CA 0.204 58.447 58.200 0.072 0.000 1.058 56 S CB 0.427 63.666 63.200 0.064 0.000 0.882 56 S HN 2.566 10.876 8.310 -0.000 0.000 0.498 57 G N 1.233 110.060 108.800 0.046 0.000 2.182 57 G HA2 -0.164 3.797 3.960 0.001 0.000 0.248 57 G HA3 -0.164 3.797 3.960 0.001 0.000 0.248 57 G C -0.198 174.729 174.900 0.045 0.000 1.042 57 G CA -0.036 45.090 45.100 0.043 0.000 0.775 57 G HN 1.320 9.610 8.290 -0.000 0.000 0.501 58 V N 0.455 120.398 119.914 0.049 0.000 2.483 58 V HA 0.476 4.596 4.120 0.001 0.000 0.297 58 V C -1.748 174.423 176.094 0.129 0.000 1.027 58 V CA -1.839 60.496 62.300 0.058 0.000 0.855 58 V CB 2.022 33.840 31.823 -0.008 0.000 0.995 58 V HN 0.137 8.327 8.190 -0.000 0.000 0.424 59 P HA 0.018 4.438 4.420 -0.000 0.000 0.264 59 P C 1.013 178.427 177.300 0.191 0.000 1.183 59 P CA 0.235 63.457 63.100 0.202 0.000 0.763 59 P CB 0.546 32.393 31.700 0.244 0.000 0.807 60 S N 3.091 118.839 115.700 0.081 0.000 2.528 60 S HA -0.196 4.274 4.470 0.001 0.000 0.244 60 S C 1.746 176.346 174.600 0.001 0.000 0.982 60 S CA 0.553 58.777 58.200 0.040 0.000 0.953 60 S CB -0.577 62.628 63.200 0.008 0.000 0.754 60 S HN 0.408 8.718 8.310 -0.000 0.000 0.529 61 R N -0.060 120.415 120.500 -0.041 0.000 2.120 61 R HA 0.061 4.401 4.340 0.001 0.000 0.234 61 R C -0.467 175.644 176.300 -0.316 0.000 1.123 61 R CA 0.828 56.792 56.100 -0.226 0.000 0.975 61 R CB -0.084 29.992 30.300 -0.373 0.000 0.866 61 R HN 0.474 8.744 8.270 -0.000 0.000 0.446 62 F N -0.116 119.789 119.950 -0.076 0.000 2.399 62 F HA 0.261 4.788 4.527 0.000 0.000 0.334 62 F C 0.339 176.066 175.800 -0.121 0.000 1.097 62 F CA -0.423 57.508 58.000 -0.114 0.000 1.076 62 F CB 1.850 40.797 39.000 -0.088 0.000 1.162 62 F HN -0.080 8.220 8.300 -0.000 0.000 0.495 63 S N 0.735 116.448 115.700 0.023 0.000 2.550 63 S HA 0.877 5.347 4.470 0.001 0.000 0.270 63 S C -0.888 173.647 174.600 -0.107 0.000 1.145 63 S CA -0.823 57.353 58.200 -0.040 0.000 0.852 63 S CB 1.594 64.763 63.200 -0.052 0.000 1.119 63 S HN 1.000 9.310 8.310 -0.000 0.000 0.465 64 G N -0.090 108.669 108.800 -0.068 0.000 2.524 64 G HA2 0.749 4.709 3.960 0.001 0.000 0.310 64 G HA3 0.749 4.709 3.960 0.001 0.000 0.310 64 G C -0.980 173.949 174.900 0.047 0.000 1.279 64 G CA -0.627 44.455 45.100 -0.030 0.000 0.974 64 G HN 1.014 9.304 8.290 -0.000 0.000 0.484 65 S N -1.025 114.740 115.700 0.108 0.000 2.688 65 S HA 0.940 5.411 4.470 0.001 0.000 0.275 65 S C -0.142 174.543 174.600 0.142 0.000 1.175 65 S CA 0.632 58.888 58.200 0.093 0.000 0.818 65 S CB 1.417 64.626 63.200 0.014 0.000 1.157 65 S HN 2.530 10.840 8.310 -0.000 0.000 0.482 66 G N 0.590 109.382 108.800 -0.013 0.000 2.381 66 G HA2 0.441 4.401 3.960 0.001 0.000 0.672 66 G HA3 0.441 4.401 3.960 0.001 0.000 0.672 66 G C -0.668 173.901 174.900 -0.551 0.000 1.324 66 G CA 0.344 45.258 45.100 -0.309 0.000 0.975 66 G HN 2.037 10.327 8.290 -0.000 0.000 0.593 67 S N -1.407 113.679 115.700 -1.022 0.000 2.643 67 S HA 0.917 5.387 4.470 0.001 0.000 0.266 67 S C 1.245 175.485 174.600 -0.600 0.000 1.130 67 S CA 0.715 58.516 58.200 -0.665 0.000 0.817 67 S CB 1.052 64.122 63.200 -0.217 0.000 1.107 67 S HN 3.111 11.421 8.310 -0.000 0.000 0.471 68 G N 1.563 110.266 108.800 -0.161 0.000 2.646 68 G HA2 -0.367 3.594 3.960 0.001 0.000 0.324 68 G HA3 -0.367 3.594 3.960 0.001 0.000 0.324 68 G C 0.957 175.899 174.900 0.069 0.000 1.195 68 G CA 1.966 47.044 45.100 -0.037 0.000 0.976 68 G HN 2.303 10.593 8.290 -0.000 0.000 0.546 69 T N -1.426 113.136 114.554 0.013 0.000 3.023 69 T HA 0.692 5.042 4.350 0.001 0.000 0.253 69 T C 0.609 175.389 174.700 0.134 0.000 1.038 69 T CA 1.394 63.563 62.100 0.116 0.000 0.962 69 T CB 0.617 69.523 68.868 0.064 0.000 1.018 69 T HN 1.980 10.220 8.240 -0.000 0.000 0.521 70 A N 0.858 123.630 122.820 -0.079 0.000 2.343 70 A HA 0.767 5.087 4.320 0.001 0.000 0.308 70 A C -1.259 176.161 177.584 -0.273 0.000 1.092 70 A CA -0.838 51.185 52.037 -0.023 0.000 0.751 70 A CB 1.035 20.021 19.000 -0.024 0.000 1.203 70 A HN 0.349 8.499 8.150 -0.000 0.000 0.452 71 F N 0.664 120.702 119.950 0.148 0.000 2.593 71 F HA 0.757 5.284 4.527 0.001 0.000 0.320 71 F C 0.681 176.692 175.800 0.352 0.000 1.060 71 F CA -0.268 57.871 58.000 0.232 0.000 0.940 71 F CB 3.015 42.164 39.000 0.248 0.000 1.268 71 F HN 0.629 8.929 8.300 -0.000 0.000 0.475 72 T N 0.070 114.892 114.554 0.447 0.000 2.903 72 T HA 0.730 5.080 4.350 0.001 0.000 0.299 72 T C -1.752 172.798 174.700 -0.251 0.000 1.093 72 T CA -0.801 61.396 62.100 0.161 0.000 1.002 72 T CB 1.954 70.833 68.868 0.019 0.000 1.127 72 T HN 0.556 8.796 8.240 -0.000 0.000 0.488 73 L N 1.423 122.183 121.223 -0.773 0.000 2.341 73 L HA 0.800 5.140 4.340 0.001 0.000 0.278 73 L C -0.778 175.786 176.870 -0.510 0.000 1.005 73 L CA 0.060 54.283 54.840 -1.028 0.000 0.818 73 L CB 2.071 43.078 42.059 -1.753 0.000 1.259 73 L HN 1.001 9.231 8.230 -0.000 0.000 0.418 74 T N 6.158 120.510 114.554 -0.337 0.000 2.881 74 T HA 0.608 4.958 4.350 0.001 0.000 0.290 74 T C -0.498 174.065 174.700 -0.228 0.000 1.000 74 T CA -0.156 61.800 62.100 -0.240 0.000 0.978 74 T CB 1.128 69.892 68.868 -0.173 0.000 0.997 74 T HN 0.429 8.669 8.240 -0.000 0.000 0.443 75 I N 2.824 123.225 120.570 -0.281 0.000 2.354 75 I HA 0.201 4.371 4.170 0.001 0.000 0.286 75 I C 1.563 177.504 176.117 -0.293 0.000 1.007 75 I CA -0.628 60.420 61.300 -0.420 0.000 1.167 75 I CB 1.708 39.413 38.000 -0.491 0.000 1.320 75 I HN 0.761 8.971 8.210 -0.000 0.000 0.458 76 S N 3.401 118.942 115.700 -0.265 0.000 2.382 76 S HA -0.096 4.375 4.470 0.001 0.000 0.228 76 S C 0.786 175.292 174.600 -0.157 0.000 1.027 76 S CA 0.793 58.885 58.200 -0.179 0.000 0.991 76 S CB -0.240 62.872 63.200 -0.147 0.000 0.823 76 S HN 0.712 9.022 8.310 -0.000 0.000 0.469 77 S N 0.840 116.430 115.700 -0.184 0.000 2.423 77 S HA 0.528 4.998 4.470 0.001 0.000 0.213 77 S C -0.748 173.760 174.600 -0.154 0.000 1.131 77 S CA -0.924 57.193 58.200 -0.138 0.000 1.155 77 S CB 0.438 63.574 63.200 -0.105 0.000 1.202 77 S HN 0.271 8.581 8.310 -0.000 0.000 0.441 78 L N 2.996 124.134 121.223 -0.141 0.000 2.536 78 L HA 0.234 4.575 4.340 0.001 0.000 0.294 78 L C 0.295 177.123 176.870 -0.070 0.000 1.257 78 L CA 1.559 56.330 54.840 -0.115 0.000 0.850 78 L CB 0.246 42.265 42.059 -0.067 0.000 1.105 78 L HN 0.901 9.131 8.230 -0.000 0.000 0.517 79 Q N 2.062 121.841 119.800 -0.035 0.000 2.534 79 Q HA 0.433 4.773 4.340 0.001 0.000 0.290 79 Q C -2.560 173.459 176.000 0.032 0.000 0.991 79 Q CA -1.691 54.105 55.803 -0.011 0.000 0.783 79 Q CB 1.160 29.886 28.738 -0.020 0.000 1.470 79 Q HN 0.265 8.535 8.270 -0.000 0.000 0.406 80 P HA -0.263 4.157 4.420 -0.000 0.000 0.219 80 P C 0.436 177.794 177.300 0.097 0.000 1.158 80 P CA 2.187 65.304 63.100 0.028 0.000 0.895 80 P CB 0.072 31.764 31.700 -0.012 0.000 0.792 81 D N -1.915 118.546 120.400 0.100 0.000 2.378 81 D HA -0.090 4.550 4.640 0.001 0.000 0.227 81 D C 0.681 177.101 176.300 0.201 0.000 1.012 81 D CA 0.537 54.621 54.000 0.142 0.000 0.905 81 D CB -0.629 40.237 40.800 0.110 0.000 0.895 81 D HN 0.055 8.425 8.370 -0.000 0.000 0.532 82 D N -0.590 119.944 120.400 0.224 0.000 2.339 82 D HA -0.020 4.620 4.640 0.001 0.000 0.217 82 D C 0.155 176.655 176.300 0.334 0.000 1.050 82 D CA -0.155 54.036 54.000 0.318 0.000 0.856 82 D CB -0.324 40.621 40.800 0.242 0.000 0.922 82 D HN 0.257 8.627 8.370 -0.000 0.000 0.518 83 F N 2.077 122.115 119.950 0.146 0.000 2.543 83 F HA 0.357 4.884 4.527 0.000 0.000 0.375 83 F C 0.073 175.920 175.800 0.078 0.000 1.075 83 F CA -0.549 57.521 58.000 0.117 0.000 1.225 83 F CB 0.236 39.269 39.000 0.055 0.000 1.099 83 F HN -0.013 8.287 8.300 -0.000 0.000 0.561 84 A N 3.576 125.968 122.820 -0.713 0.000 2.441 84 A HA 0.500 4.820 4.320 0.001 0.000 0.295 84 A C -1.044 176.182 177.584 -0.598 0.000 0.992 84 A CA -0.796 50.761 52.037 -0.800 0.000 0.603 84 A CB 0.320 18.925 19.000 -0.659 0.000 1.385 84 A HN 0.617 8.767 8.150 -0.000 0.000 0.470 85 T N 1.368 115.594 114.554 -0.547 0.000 2.767 85 T HA 0.611 4.962 4.350 0.001 0.000 0.284 85 T C -1.176 173.169 174.700 -0.593 0.000 0.973 85 T CA 0.353 62.195 62.100 -0.429 0.000 0.996 85 T CB 0.070 68.746 68.868 -0.319 0.000 0.927 85 T HN 0.351 8.591 8.240 -0.000 0.000 0.456 86 Y N 2.083 122.241 120.300 -0.237 0.000 2.361 86 Y HA 0.552 5.102 4.550 0.001 0.000 0.332 86 Y C -0.334 175.498 175.900 -0.113 0.000 1.101 86 Y CA -0.804 57.279 58.100 -0.029 0.000 1.137 86 Y CB 1.070 39.598 38.460 0.114 0.000 1.207 86 Y HN 0.585 8.865 8.280 -0.000 0.000 0.463 87 Y N 1.107 121.721 120.300 0.524 0.000 2.457 87 Y HA 0.502 5.052 4.550 0.000 0.000 0.343 87 Y C -0.304 175.863 175.900 0.444 0.000 0.994 87 Y CA -1.400 56.977 58.100 0.462 0.000 1.031 87 Y CB 1.508 40.189 38.460 0.369 0.000 1.246 87 Y HN 0.751 9.031 8.280 -0.000 0.000 0.449 88 c N 1.355 120.085 118.600 0.218 0.000 2.365 88 c HA 0.822 5.392 4.570 0.001 0.000 0.349 88 c C -0.702 173.386 174.090 -0.003 0.000 1.191 88 c CA -1.173 54.852 56.329 -0.507 0.000 2.114 88 c CB 0.208 41.938 42.510 -1.301 0.000 2.367 88 c HN 0.839 9.069 8.230 -0.000 0.000 0.530 89 F N 2.440 122.218 119.950 -0.287 0.000 2.539 89 F HA 0.538 5.065 4.527 0.000 0.000 0.318 89 F C -0.441 175.117 175.800 -0.405 0.000 1.135 89 F CA -0.441 57.296 58.000 -0.439 0.000 0.915 89 F CB 1.559 40.268 39.000 -0.486 0.000 1.176 89 F HN 0.808 9.108 8.300 -0.000 0.000 0.440 90 Q N 4.736 123.842 119.800 -1.155 0.000 2.400 90 Q HA 0.508 4.849 4.340 0.001 0.000 0.255 90 Q C -0.377 174.773 176.000 -1.418 0.000 1.008 90 Q CA -0.270 54.925 55.803 -1.013 0.000 0.841 90 Q CB 1.404 29.772 28.738 -0.616 0.000 1.220 90 Q HN 0.808 9.078 8.270 -0.000 0.000 0.474 91 G N 1.904 109.898 108.800 -1.344 0.000 3.596 91 G HA2 0.051 4.011 3.960 0.001 0.000 0.274 91 G HA3 0.051 4.011 3.960 0.001 0.000 0.274 91 G C 0.712 175.070 174.900 -0.903 0.000 1.007 91 G CA 0.240 44.485 45.100 -1.425 0.000 0.825 91 G HN 0.671 8.961 8.290 -0.000 0.000 0.508 92 S N -0.607 114.560 115.700 -0.888 0.000 2.470 92 S HA 0.439 4.909 4.470 0.001 0.000 0.225 92 S C 1.125 175.474 174.600 -0.418 0.000 1.006 92 S CA 0.453 58.128 58.200 -0.876 0.000 0.934 92 S CB 0.563 62.828 63.200 -1.558 0.000 0.778 92 S HN 0.605 8.915 8.310 -0.000 0.000 0.517 93 G N -0.866 107.747 108.800 -0.311 0.000 2.684 93 G HA2 0.576 4.536 3.960 0.001 0.000 0.290 93 G HA3 0.576 4.536 3.960 0.001 0.000 0.290 93 G C -1.678 173.151 174.900 -0.117 0.000 1.425 93 G CA -1.072 43.889 45.100 -0.232 0.000 0.822 93 G HN 0.254 8.544 8.290 -0.000 0.000 0.482 94 Y N 1.164 121.461 120.300 -0.005 0.000 2.299 94 Y HA 0.459 5.010 4.550 0.001 0.000 0.326 94 Y C -1.153 174.702 175.900 -0.075 0.000 1.164 94 Y CA -1.323 56.711 58.100 -0.110 0.000 1.234 94 Y CB 1.289 39.633 38.460 -0.193 0.000 1.219 94 Y HN 0.312 8.592 8.280 -0.000 0.000 0.497 95 P HA 0.234 4.654 4.420 -0.000 0.000 0.284 95 P C -1.177 176.223 177.300 0.167 0.000 1.258 95 P CA -0.495 62.665 63.100 0.100 0.000 0.824 95 P CB 0.879 32.592 31.700 0.021 0.000 1.038 96 F N 1.278 121.260 119.950 0.053 0.000 2.538 96 F HA 0.294 4.821 4.527 0.000 0.000 0.371 96 F C 1.415 177.156 175.800 -0.098 0.000 1.087 96 F CA 0.006 57.927 58.000 -0.132 0.000 1.250 96 F CB -0.257 38.761 39.000 0.030 0.000 1.110 96 F HN 0.301 8.601 8.300 -0.000 0.000 0.570 97 T N 0.368 114.865 114.554 -0.095 0.000 2.894 97 T HA 0.684 5.035 4.350 0.001 0.000 0.309 97 T C -0.948 173.703 174.700 -0.081 0.000 1.208 97 T CA -0.859 61.244 62.100 0.006 0.000 1.016 97 T CB 1.490 70.367 68.868 0.015 0.000 1.192 97 T HN 0.141 8.381 8.240 -0.000 0.000 0.491 98 F N 0.386 120.446 119.950 0.183 0.000 2.440 98 F HA 0.697 5.225 4.527 0.001 0.000 0.328 98 F C 1.363 177.244 175.800 0.135 0.000 1.070 98 F CA -0.256 57.859 58.000 0.191 0.000 1.011 98 F CB 1.581 40.634 39.000 0.088 0.000 1.226 98 F HN 1.012 9.312 8.300 -0.000 0.000 0.491 99 G N 0.033 109.069 108.800 0.395 0.000 2.562 99 G HA2 0.376 4.336 3.960 0.001 0.000 0.275 99 G HA3 0.376 4.336 3.960 0.001 0.000 0.275 99 G C 0.906 176.041 174.900 0.392 0.000 1.196 99 G CA -0.257 45.023 45.100 0.301 0.000 0.908 99 G HN 0.913 9.203 8.290 -0.000 0.000 0.524 100 G N -1.235 107.733 108.800 0.280 0.000 2.534 100 G HA2 0.453 4.413 3.960 0.001 0.000 0.217 100 G HA3 0.453 4.413 3.960 0.001 0.000 0.217 100 G C 0.982 176.045 174.900 0.271 0.000 1.128 100 G CA 1.000 46.256 45.100 0.260 0.000 0.784 100 G HN 1.976 10.266 8.290 -0.000 0.000 0.542 101 G N -2.219 106.697 108.800 0.193 0.000 2.629 101 G HA2 0.225 4.185 3.960 0.001 0.000 0.686 101 G HA3 0.225 4.185 3.960 0.001 0.000 0.686 101 G C -0.666 174.217 174.900 -0.029 0.000 1.232 101 G CA -0.358 44.654 45.100 -0.147 0.000 0.803 101 G HN 0.641 8.931 8.290 -0.000 0.000 0.638 102 T N 1.227 115.744 114.554 -0.062 0.000 2.985 102 T HA 0.462 4.813 4.350 0.001 0.000 0.315 102 T C 0.041 174.774 174.700 0.055 0.000 1.001 102 T CA -0.578 61.559 62.100 0.061 0.000 1.016 102 T CB 1.325 70.279 68.868 0.144 0.000 0.993 102 T HN 0.725 8.965 8.240 -0.000 0.000 0.454 103 K N 3.580 124.007 120.400 0.045 0.000 2.285 103 K HA 0.481 4.801 4.320 0.001 0.000 0.286 103 K C -0.756 175.928 176.600 0.142 0.000 1.072 103 K CA -0.740 55.579 56.287 0.054 0.000 0.913 103 K CB 0.413 32.952 32.500 0.065 0.000 1.067 103 K HN 0.288 8.538 8.250 -0.000 0.000 0.479 104 L N 4.413 125.746 121.223 0.184 0.000 2.265 104 L HA 0.307 4.647 4.340 0.001 0.000 0.289 104 L C 0.056 177.146 176.870 0.367 0.000 1.033 104 L CA 0.262 55.252 54.840 0.250 0.000 0.814 104 L CB 1.084 43.328 42.059 0.308 0.000 1.203 104 L HN 0.822 9.052 8.230 -0.000 0.000 0.423 105 E N 3.947 124.344 120.200 0.329 0.000 3.362 105 E HA 0.484 4.835 4.350 0.001 0.000 0.253 105 E C -0.858 175.891 176.600 0.249 0.000 0.962 105 E CA -0.636 55.981 56.400 0.362 0.000 1.399 105 E CB 1.182 31.069 29.700 0.312 0.000 1.668 105 E HN 0.538 8.898 8.360 -0.000 0.000 0.563 106 K N -0.112 120.296 120.400 0.013 0.000 2.498 106 K HA 0.418 4.739 4.320 0.001 0.000 0.254 106 K C -0.922 175.521 176.600 -0.263 0.000 0.933 106 K CA -0.627 55.643 56.287 -0.028 0.000 0.806 106 K CB 2.534 35.073 32.500 0.065 0.000 1.301 106 K HN 0.485 8.735 8.250 -0.000 0.000 0.432 107 R N -1.446 118.718 120.500 -0.559 0.000 2.810 107 R HA 0.437 4.777 4.340 0.001 0.000 0.266 107 R C -0.695 175.431 176.300 -0.290 0.000 1.061 107 R CA -1.002 54.826 56.100 -0.454 0.000 0.943 107 R CB 0.384 30.343 30.300 -0.568 0.000 1.237 107 R HN 0.599 8.869 8.270 -0.000 0.000 0.459 108 T N -0.976 113.495 114.554 -0.139 0.000 2.813 108 T HA 0.284 4.635 4.350 0.001 0.000 0.297 108 T C 0.630 175.392 174.700 0.104 0.000 1.036 108 T CA -0.791 61.310 62.100 0.001 0.000 1.044 108 T CB 0.811 69.681 68.868 0.003 0.000 0.993 108 T HN 0.309 8.549 8.240 -0.000 0.000 0.535 109 V N 1.467 121.488 119.914 0.177 0.000 2.740 109 V HA 0.481 4.602 4.120 0.001 0.000 0.303 109 V C 0.685 176.913 176.094 0.223 0.000 1.054 109 V CA -0.051 62.409 62.300 0.267 0.000 1.106 109 V CB 0.163 32.104 31.823 0.196 0.000 0.957 109 V HN 1.255 9.445 8.190 -0.000 0.000 0.486 110 A N 4.201 127.203 122.820 0.303 0.000 2.375 110 A HA 0.823 5.143 4.320 0.001 0.000 0.295 110 A C -0.099 177.626 177.584 0.235 0.000 1.066 110 A CA -0.226 51.941 52.037 0.216 0.000 0.722 110 A CB 1.270 20.374 19.000 0.174 0.000 1.206 110 A HN 1.302 9.452 8.150 -0.000 0.000 0.435 111 A N 4.198 127.107 122.820 0.150 0.000 2.388 111 A HA 0.714 5.034 4.320 0.001 0.000 0.257 111 A C -2.213 175.366 177.584 -0.007 0.000 1.095 111 A CA -1.246 50.832 52.037 0.069 0.000 0.791 111 A CB -0.264 18.773 19.000 0.061 0.000 1.029 111 A HN 0.606 8.756 8.150 -0.000 0.000 0.489 112 P HA 0.198 4.618 4.420 -0.000 0.000 0.275 112 P C -0.602 176.656 177.300 -0.071 0.000 1.228 112 P CA -0.159 62.888 63.100 -0.088 0.000 0.786 112 P CB 1.028 32.504 31.700 -0.374 0.000 0.927 113 S N 1.205 116.911 115.700 0.009 0.000 2.452 113 S HA 0.310 4.781 4.470 0.001 0.000 0.284 113 S C 0.200 174.675 174.600 -0.207 0.000 1.171 113 S CA -0.575 57.566 58.200 -0.098 0.000 1.064 113 S CB 0.428 63.680 63.200 0.088 0.000 0.967 113 S HN 0.189 8.499 8.310 -0.000 0.000 0.484 114 V N 4.824 124.468 119.914 -0.450 0.000 2.472 114 V HA 0.593 4.713 4.120 0.001 0.000 0.290 114 V C -0.777 174.898 176.094 -0.699 0.000 1.037 114 V CA -0.491 61.579 62.300 -0.384 0.000 0.908 114 V CB 0.576 32.238 31.823 -0.267 0.000 0.985 114 V HN 0.742 8.932 8.190 -0.000 0.000 0.454 115 F N 4.123 124.000 119.950 -0.121 0.000 2.578 115 F HA 0.663 5.190 4.527 0.000 0.000 0.311 115 F C -0.275 175.308 175.800 -0.361 0.000 1.094 115 F CA -0.641 57.198 58.000 -0.267 0.000 0.923 115 F CB 1.934 40.736 39.000 -0.329 0.000 1.230 115 F HN 0.322 8.622 8.300 -0.000 0.000 0.450 116 I N 2.541 122.959 120.570 -0.254 0.000 2.509 116 I HA 0.599 4.770 4.170 0.001 0.000 0.293 116 I C -1.751 174.163 176.117 -0.337 0.000 1.020 116 I CA -0.703 60.532 61.300 -0.109 0.000 1.088 116 I CB 1.383 39.485 38.000 0.170 0.000 1.267 116 I HN 0.479 8.689 8.210 -0.000 0.000 0.430 117 F N 7.947 128.040 119.950 0.238 0.000 2.477 117 F HA 0.533 5.061 4.527 0.000 0.000 0.335 117 F C -2.152 173.631 175.800 -0.029 0.000 1.130 117 F CA -2.042 55.999 58.000 0.069 0.000 0.948 117 F CB 1.441 40.472 39.000 0.053 0.000 1.154 117 F HN 0.262 8.562 8.300 -0.000 0.000 0.439 118 P HA 0.178 4.598 4.420 -0.000 0.000 0.274 118 P C -2.626 174.551 177.300 -0.206 0.000 1.246 118 P CA -1.415 61.370 63.100 -0.525 0.000 0.795 118 P CB 0.302 31.362 31.700 -1.067 0.000 1.006 119 P HA 0.030 4.450 4.420 -0.000 0.000 0.272 119 P C 0.076 177.264 177.300 -0.186 0.000 1.223 119 P CA 0.077 63.026 63.100 -0.252 0.000 0.784 119 P CB 0.350 31.765 31.700 -0.475 0.000 0.923 120 S N 0.735 116.352 115.700 -0.138 0.000 2.603 120 S HA 0.124 4.594 4.470 0.001 0.000 0.268 120 S C 0.827 175.374 174.600 -0.089 0.000 1.317 120 S CA -0.467 57.675 58.200 -0.097 0.000 1.012 120 S CB 0.461 63.612 63.200 -0.080 0.000 0.926 120 S HN 0.336 8.646 8.310 -0.000 0.000 0.539 121 D N 0.807 121.173 120.400 -0.057 0.000 2.178 121 D HA -0.118 4.522 4.640 0.001 0.000 0.201 121 D C 1.693 177.969 176.300 -0.041 0.000 0.980 121 D CA 1.297 55.274 54.000 -0.038 0.000 0.842 121 D CB -0.276 40.513 40.800 -0.018 0.000 0.948 121 D HN 0.868 9.238 8.370 -0.000 0.000 0.472 122 E N 0.642 120.816 120.200 -0.044 0.000 2.058 122 E HA -0.236 4.114 4.350 0.001 0.000 0.194 122 E C 2.005 178.575 176.600 -0.050 0.000 0.997 122 E CA 0.979 57.354 56.400 -0.041 0.000 0.801 122 E CB 0.055 29.730 29.700 -0.041 0.000 0.746 122 E HN 0.256 8.616 8.360 -0.000 0.000 0.450 123 Q N 0.324 120.083 119.800 -0.069 0.000 2.079 123 Q HA -0.155 4.185 4.340 0.001 0.000 0.200 123 Q C 2.490 178.442 176.000 -0.079 0.000 0.974 123 Q CA 1.109 56.865 55.803 -0.078 0.000 0.840 123 Q CB -0.065 28.612 28.738 -0.102 0.000 0.898 123 Q HN 0.374 8.644 8.270 -0.000 0.000 0.430 124 L N 0.881 122.048 121.223 -0.093 0.000 2.081 124 L HA -0.257 4.084 4.340 0.001 0.000 0.212 124 L C 2.731 179.579 176.870 -0.037 0.000 1.080 124 L CA 1.496 56.290 54.840 -0.077 0.000 0.754 124 L CB -0.589 41.433 42.059 -0.062 0.000 0.893 124 L HN 0.290 8.520 8.230 -0.000 0.000 0.433 125 K N 0.301 120.683 120.400 -0.031 0.000 2.113 125 K HA -0.218 4.103 4.320 0.001 0.000 0.208 125 K C 2.148 178.737 176.600 -0.019 0.000 1.047 125 K CA 1.870 58.146 56.287 -0.018 0.000 0.928 125 K CB -0.080 32.410 32.500 -0.018 0.000 0.716 125 K HN 0.384 8.634 8.250 -0.000 0.000 0.446 126 S N -1.113 114.571 115.700 -0.028 0.000 2.603 126 S HA 0.028 4.498 4.470 0.001 0.000 0.229 126 S C 1.219 175.806 174.600 -0.022 0.000 0.972 126 S CA 0.949 59.134 58.200 -0.025 0.000 0.935 126 S CB 0.005 63.186 63.200 -0.031 0.000 0.769 126 S HN 0.550 8.860 8.310 -0.000 0.000 0.536 127 G N -0.634 108.153 108.800 -0.021 0.000 2.176 127 G HA2 -0.186 3.775 3.960 0.001 0.000 0.232 127 G HA3 -0.186 3.775 3.960 0.001 0.000 0.232 127 G C 0.151 175.039 174.900 -0.020 0.000 0.986 127 G CA 0.165 45.257 45.100 -0.013 0.000 0.643 127 G HN 0.721 9.011 8.290 -0.000 0.000 0.522 128 T N 0.098 114.626 114.554 -0.044 0.000 2.906 128 T HA 0.779 5.129 4.350 0.001 0.000 0.295 128 T C -0.348 174.279 174.700 -0.122 0.000 1.061 128 T CA 0.353 62.416 62.100 -0.062 0.000 1.000 128 T CB 2.042 70.878 68.868 -0.053 0.000 1.103 128 T HN 1.473 9.713 8.240 -0.000 0.000 0.486 129 A N 1.735 124.457 122.820 -0.162 0.000 2.311 129 A HA 0.728 5.049 4.320 0.001 0.000 0.306 129 A C -0.281 177.154 177.584 -0.249 0.000 1.189 129 A CA -0.642 51.205 52.037 -0.316 0.000 0.791 129 A CB 0.893 19.542 19.000 -0.585 0.000 1.172 129 A HN 0.638 8.788 8.150 -0.000 0.000 0.481 130 S N 1.090 116.657 115.700 -0.222 0.000 2.437 130 S HA 0.582 5.052 4.470 0.001 0.000 0.305 130 S C -0.326 174.191 174.600 -0.139 0.000 1.109 130 S CA -0.476 57.631 58.200 -0.155 0.000 1.099 130 S CB 1.379 64.522 63.200 -0.095 0.000 1.004 130 S HN 0.606 8.916 8.310 -0.000 0.000 0.475 131 V N 3.909 123.741 119.914 -0.136 0.000 2.417 131 V HA 0.528 4.648 4.120 0.001 0.000 0.291 131 V C -0.342 175.843 176.094 0.152 0.000 1.024 131 V CA -0.690 61.609 62.300 -0.002 0.000 0.861 131 V CB 1.527 33.292 31.823 -0.098 0.000 0.985 131 V HN 0.653 8.843 8.190 -0.000 0.000 0.436 132 V N 3.558 123.717 119.914 0.410 0.000 2.555 132 V HA 0.484 4.604 4.120 0.001 0.000 0.302 132 V C -0.282 176.217 176.094 0.674 0.000 1.038 132 V CA -0.493 62.127 62.300 0.533 0.000 0.887 132 V CB 1.892 33.948 31.823 0.388 0.000 0.991 132 V HN 1.008 9.198 8.190 -0.000 0.000 0.434 133 c N 6.549 125.498 118.600 0.581 0.000 2.369 133 c HA 0.801 5.371 4.570 0.001 0.000 0.322 133 c C -0.658 173.589 174.090 0.262 0.000 1.258 133 c CA -0.568 55.926 56.329 0.275 0.000 1.487 133 c CB 0.505 42.928 42.510 -0.145 0.000 2.165 133 c HN 0.857 9.087 8.230 -0.000 0.000 0.483 134 L N 7.141 128.534 121.223 0.284 0.000 2.322 134 L HA 0.743 5.084 4.340 0.001 0.000 0.281 134 L C -1.145 175.878 176.870 0.254 0.000 1.014 134 L CA -0.194 54.837 54.840 0.318 0.000 0.815 134 L CB 1.358 43.689 42.059 0.453 0.000 1.247 134 L HN 0.632 8.862 8.230 -0.000 0.000 0.421 135 L N 4.672 126.020 121.223 0.208 0.000 2.319 135 L HA 0.519 4.859 4.340 0.001 0.000 0.281 135 L C -0.661 176.406 176.870 0.327 0.000 1.005 135 L CA -0.616 54.299 54.840 0.125 0.000 0.828 135 L CB 1.394 43.377 42.059 -0.126 0.000 1.227 135 L HN 0.617 8.847 8.230 -0.000 0.000 0.415 136 N N 3.067 121.968 118.700 0.335 0.000 2.399 136 N HA 0.283 5.024 4.740 0.001 0.000 0.295 136 N C -0.382 175.308 175.510 0.299 0.000 1.048 136 N CA -0.225 53.025 53.050 0.333 0.000 0.886 136 N CB 0.870 39.573 38.487 0.361 0.000 1.185 136 N HN 0.434 8.814 8.380 -0.000 0.000 0.487 137 N N 1.608 120.433 118.700 0.208 0.000 2.642 137 N HA -0.233 4.507 4.740 0.001 0.000 0.269 137 N C -1.160 174.448 175.510 0.164 0.000 1.073 137 N CA 0.913 54.027 53.050 0.105 0.000 0.748 137 N CB -1.491 37.045 38.487 0.081 0.000 0.894 137 N HN 0.486 8.866 8.380 -0.000 0.000 0.548 138 F N -1.368 118.612 119.950 0.050 0.000 2.639 138 F HA 0.865 5.392 4.527 0.001 0.000 0.339 138 F C -0.481 175.464 175.800 0.242 0.000 1.071 138 F CA -1.362 56.654 58.000 0.026 0.000 0.994 138 F CB 1.452 40.299 39.000 -0.255 0.000 1.341 138 F HN 0.040 8.340 8.300 -0.000 0.000 0.498 139 Y N 1.281 121.824 120.300 0.405 0.000 2.465 139 Y HA 0.396 4.947 4.550 0.001 0.000 0.323 139 Y C -2.978 173.209 175.900 0.478 0.000 1.191 139 Y CA -2.081 56.255 58.100 0.393 0.000 1.082 139 Y CB 1.980 40.532 38.460 0.153 0.000 1.334 139 Y HN 0.553 8.833 8.280 -0.000 0.000 0.449 140 P HA 0.102 4.522 4.420 -0.000 0.000 0.272 140 P C 0.139 177.440 177.300 0.002 0.000 1.254 140 P CA 0.042 62.758 63.100 -0.639 0.000 0.795 140 P CB 1.025 32.481 31.700 -0.407 0.000 1.022 141 R N -0.260 120.092 120.500 -0.246 0.000 2.148 141 R HA -0.067 4.273 4.340 0.001 0.000 0.227 141 R C 0.923 177.293 176.300 0.117 0.000 1.103 141 R CA 0.757 56.711 56.100 -0.242 0.000 0.983 141 R CB -0.084 29.718 30.300 -0.830 0.000 0.874 141 R HN 0.446 8.716 8.270 -0.000 0.000 0.451 142 E N 0.948 121.165 120.200 0.028 0.000 2.366 142 E HA 0.151 4.501 4.350 0.001 0.000 0.266 142 E C -1.450 175.208 176.600 0.096 0.000 1.015 142 E CA 0.397 56.812 56.400 0.024 0.000 0.906 142 E CB 1.234 30.902 29.700 -0.052 0.000 0.979 142 E HN 0.372 8.732 8.360 -0.000 0.000 0.443 143 A N 4.779 127.633 122.820 0.056 0.000 2.566 143 A HA 0.418 4.739 4.320 0.001 0.000 0.297 143 A C -1.000 176.556 177.584 -0.047 0.000 1.059 143 A CA -0.774 51.261 52.037 -0.004 0.000 0.691 143 A CB 1.498 20.374 19.000 -0.207 0.000 1.282 143 A HN 0.414 8.564 8.150 -0.000 0.000 0.401 144 K N 1.724 122.083 120.400 -0.067 0.000 2.323 144 K HA 0.602 4.922 4.320 0.001 0.000 0.259 144 K C -1.527 175.012 176.600 -0.102 0.000 0.947 144 K CA -0.365 55.884 56.287 -0.064 0.000 0.819 144 K CB 1.656 34.126 32.500 -0.051 0.000 1.109 144 K HN 1.103 9.353 8.250 -0.000 0.000 0.429 145 V N 4.372 124.224 119.914 -0.104 0.000 2.444 145 V HA 0.440 4.560 4.120 0.001 0.000 0.294 145 V C -1.332 174.661 176.094 -0.168 0.000 1.022 145 V CA -0.465 61.725 62.300 -0.182 0.000 0.850 145 V CB 1.637 33.323 31.823 -0.228 0.000 0.992 145 V HN 0.832 9.022 8.190 -0.000 0.000 0.426 146 Q N 5.313 124.995 119.800 -0.197 0.000 2.333 146 Q HA 0.457 4.797 4.340 0.001 0.000 0.267 146 Q C -1.618 174.294 176.000 -0.146 0.000 1.012 146 Q CA -0.362 55.381 55.803 -0.101 0.000 0.824 146 Q CB 2.626 31.336 28.738 -0.047 0.000 1.290 146 Q HN 0.850 9.120 8.270 -0.000 0.000 0.449 147 W N 2.248 123.549 121.300 0.002 0.000 2.365 147 W HA 0.376 5.036 4.660 0.001 0.000 0.316 147 W C -0.021 176.481 176.519 -0.028 0.000 1.164 147 W CA -0.379 56.971 57.345 0.007 0.000 1.204 147 W CB 1.087 30.571 29.460 0.041 0.000 1.213 147 W HN 0.221 8.401 8.180 -0.000 0.000 0.539 148 K N 2.487 123.017 120.400 0.216 0.000 2.507 148 K HA 0.508 4.828 4.320 0.001 0.000 0.252 148 K C -1.374 175.201 176.600 -0.042 0.000 0.943 148 K CA -0.870 55.445 56.287 0.047 0.000 0.808 148 K CB 2.203 34.694 32.500 -0.016 0.000 1.142 148 K HN 0.137 8.387 8.250 -0.000 0.000 0.426 149 V N 3.552 123.373 119.914 -0.155 0.000 2.334 149 V HA 0.120 4.241 4.120 0.001 0.000 0.281 149 V C -0.161 175.710 176.094 -0.373 0.000 1.016 149 V CA -0.547 61.514 62.300 -0.399 0.000 0.832 149 V CB 1.117 32.655 31.823 -0.474 0.000 0.999 149 V HN 0.878 9.068 8.190 -0.000 0.000 0.439 150 D N 4.268 124.460 120.400 -0.347 0.000 2.772 150 D HA -0.218 4.423 4.640 0.001 0.000 0.233 150 D C 0.829 177.038 176.300 -0.151 0.000 1.143 150 D CA 1.326 55.195 54.000 -0.218 0.000 0.700 150 D CB -0.943 39.755 40.800 -0.171 0.000 1.076 150 D HN 1.000 9.370 8.370 -0.000 0.000 0.430 151 N N -3.140 115.477 118.700 -0.139 0.000 2.965 151 N HA -0.230 4.511 4.740 0.001 0.000 0.232 151 N C 0.101 175.562 175.510 -0.083 0.000 0.913 151 N CA 1.379 54.372 53.050 -0.094 0.000 0.981 151 N CB -1.065 37.378 38.487 -0.074 0.000 1.077 151 N HN 0.557 8.937 8.380 -0.000 0.000 0.589 152 A N 0.347 123.102 122.820 -0.109 0.000 2.309 152 A HA 0.586 4.906 4.320 0.001 0.000 0.290 152 A C 0.149 177.695 177.584 -0.064 0.000 1.206 152 A CA -0.391 51.592 52.037 -0.090 0.000 0.850 152 A CB 0.408 19.335 19.000 -0.122 0.000 1.118 152 A HN 0.286 8.436 8.150 -0.000 0.000 0.523 153 L N 2.908 124.112 121.223 -0.032 0.000 2.410 153 L HA 0.189 4.529 4.340 0.001 0.000 0.273 153 L C 0.209 177.087 176.870 0.014 0.000 1.144 153 L CA 0.468 55.309 54.840 0.002 0.000 0.863 153 L CB 0.363 42.423 42.059 0.003 0.000 1.140 153 L HN 0.682 8.912 8.230 -0.000 0.000 0.463 154 Q N 3.332 123.165 119.800 0.055 0.000 2.306 154 Q HA 0.482 4.822 4.340 0.001 0.000 0.241 154 Q C -0.769 175.271 176.000 0.066 0.000 0.948 154 Q CA -0.197 55.641 55.803 0.057 0.000 0.886 154 Q CB 1.472 30.268 28.738 0.096 0.000 1.227 154 Q HN 0.752 9.022 8.270 -0.000 0.000 0.457 155 S N -0.598 115.128 115.700 0.044 0.000 2.614 155 S HA 0.538 5.008 4.470 0.001 0.000 0.275 155 S C 0.302 174.922 174.600 0.034 0.000 1.161 155 S CA -0.189 58.037 58.200 0.044 0.000 0.969 155 S CB 1.699 64.917 63.200 0.029 0.000 1.059 155 S HN 0.852 9.162 8.310 -0.000 0.000 0.482 156 G N 2.678 111.503 108.800 0.041 0.000 2.162 156 G HA2 -0.276 3.684 3.960 0.001 0.000 0.260 156 G HA3 -0.276 3.684 3.960 0.001 0.000 0.260 156 G C 0.073 174.985 174.900 0.019 0.000 0.976 156 G CA 0.454 45.572 45.100 0.030 0.000 0.655 156 G HN 0.849 9.139 8.290 -0.000 0.000 0.533 157 N N -0.188 118.518 118.700 0.010 0.000 2.351 157 N HA 0.387 5.127 4.740 0.001 0.000 0.254 157 N C 0.128 175.604 175.510 -0.057 0.000 1.241 157 N CA 0.500 53.537 53.050 -0.021 0.000 0.883 157 N CB 0.293 38.761 38.487 -0.031 0.000 1.202 157 N HN 0.931 9.311 8.380 -0.000 0.000 0.512 158 S N -1.176 114.521 115.700 -0.005 0.000 2.564 158 S HA 0.585 5.056 4.470 0.001 0.000 0.274 158 S C -1.121 173.528 174.600 0.082 0.000 1.124 158 S CA -0.809 57.400 58.200 0.014 0.000 0.869 158 S CB 2.385 65.630 63.200 0.076 0.000 1.105 158 S HN 0.116 8.426 8.310 -0.000 0.000 0.472 159 Q N 0.497 120.357 119.800 0.100 0.000 2.372 159 Q HA 0.501 4.841 4.340 0.001 0.000 0.273 159 Q C -1.153 174.930 176.000 0.138 0.000 1.078 159 Q CA -0.696 55.167 55.803 0.100 0.000 0.806 159 Q CB 2.669 31.447 28.738 0.066 0.000 1.332 159 Q HN 0.751 9.021 8.270 -0.000 0.000 0.435 160 E N 0.540 120.814 120.200 0.123 0.000 2.235 160 E HA 0.599 4.949 4.350 0.001 0.000 0.265 160 E C -1.096 175.567 176.600 0.105 0.000 0.940 160 E CA -0.654 55.825 56.400 0.131 0.000 0.819 160 E CB 2.234 32.005 29.700 0.119 0.000 1.206 160 E HN 0.306 8.666 8.360 -0.000 0.000 0.409 161 S N 1.112 116.879 115.700 0.113 0.000 2.619 161 S HA 0.366 4.837 4.470 0.001 0.000 0.280 161 S C -1.582 173.084 174.600 0.108 0.000 1.150 161 S CA -0.680 57.577 58.200 0.096 0.000 0.978 161 S CB 1.570 64.823 63.200 0.087 0.000 1.041 161 S HN 0.280 8.590 8.310 -0.000 0.000 0.485 162 V N 4.450 124.419 119.914 0.092 0.000 2.581 162 V HA 0.665 4.785 4.120 0.001 0.000 0.303 162 V C 0.377 176.528 176.094 0.094 0.000 1.041 162 V CA -0.096 62.261 62.300 0.095 0.000 0.907 162 V CB 1.935 33.787 31.823 0.048 0.000 0.994 162 V HN 0.981 9.171 8.190 -0.000 0.000 0.442 163 T N 4.695 119.314 114.554 0.108 0.000 2.899 163 T HA 0.252 4.602 4.350 0.001 0.000 0.295 163 T C -0.106 174.689 174.700 0.158 0.000 1.033 163 T CA -0.277 61.888 62.100 0.108 0.000 1.084 163 T CB 0.478 69.394 68.868 0.079 0.000 0.979 163 T HN 0.784 9.024 8.240 -0.000 0.000 0.532 164 E N 1.892 122.176 120.200 0.140 0.000 2.373 164 E HA 0.065 4.415 4.350 0.001 0.000 0.263 164 E C 0.240 176.810 176.600 -0.051 0.000 1.073 164 E CA -0.198 56.310 56.400 0.180 0.000 0.894 164 E CB 0.550 30.426 29.700 0.293 0.000 1.008 164 E HN 0.567 8.927 8.360 -0.000 0.000 0.420 165 Q N 1.778 121.319 119.800 -0.432 0.000 2.304 165 Q HA -0.115 4.225 4.340 0.001 0.000 0.301 165 Q C -0.115 175.457 176.000 -0.715 0.000 1.063 165 Q CA 0.333 55.534 55.803 -1.004 0.000 0.947 165 Q CB 0.509 28.352 28.738 -1.493 0.000 1.201 165 Q HN 0.354 8.624 8.270 -0.000 0.000 0.389 166 D N 2.139 122.238 120.400 -0.503 0.000 2.425 166 D HA -0.013 4.628 4.640 0.001 0.000 0.247 166 D C -0.098 176.088 176.300 -0.189 0.000 1.147 166 D CA 0.123 53.973 54.000 -0.250 0.000 0.879 166 D CB 1.075 41.755 40.800 -0.200 0.000 1.179 166 D HN 0.590 8.960 8.370 -0.000 0.000 0.456 167 S N 2.892 118.571 115.700 -0.034 0.000 2.555 167 S HA -0.073 4.397 4.470 0.001 0.000 0.230 167 S C 1.207 175.813 174.600 0.009 0.000 0.978 167 S CA 0.627 58.858 58.200 0.052 0.000 0.934 167 S CB 0.328 63.603 63.200 0.125 0.000 0.766 167 S HN 0.434 8.744 8.310 -0.000 0.000 0.533 168 K N 1.490 121.870 120.400 -0.032 0.000 2.214 168 K HA 0.091 4.411 4.320 0.001 0.000 0.210 168 K C 1.168 177.729 176.600 -0.065 0.000 1.036 168 K CA 1.122 57.389 56.287 -0.033 0.000 0.958 168 K CB -0.149 32.337 32.500 -0.025 0.000 0.973 168 K HN 0.268 8.518 8.250 -0.000 0.000 0.466 169 D N -0.609 119.734 120.400 -0.094 0.000 2.340 169 D HA 0.092 4.733 4.640 0.001 0.000 0.217 169 D C -0.521 175.664 176.300 -0.191 0.000 1.081 169 D CA -0.031 53.898 54.000 -0.118 0.000 0.842 169 D CB 0.245 40.991 40.800 -0.089 0.000 0.934 169 D HN -0.039 8.331 8.370 -0.000 0.000 0.511 170 S N -1.471 114.084 115.700 -0.241 0.000 3.533 170 S HA -0.208 4.262 4.470 0.001 0.000 0.347 170 S C 0.427 174.758 174.600 -0.449 0.000 1.101 170 S CA 1.056 59.041 58.200 -0.359 0.000 1.009 170 S CB -2.378 60.628 63.200 -0.324 0.000 0.916 170 S HN 0.599 8.909 8.310 -0.000 0.000 0.496 171 T N -0.157 114.148 114.554 -0.414 0.000 2.948 171 T HA 0.718 5.068 4.350 0.001 0.000 0.285 171 T C -0.589 173.715 174.700 -0.660 0.000 1.019 171 T CA -0.309 61.565 62.100 -0.376 0.000 1.013 171 T CB 0.591 69.355 68.868 -0.172 0.000 1.117 171 T HN 0.215 8.455 8.240 -0.000 0.000 0.533 172 Y N -0.231 119.823 120.300 -0.410 0.000 2.570 172 Y HA 0.635 5.186 4.550 0.001 0.000 0.345 172 Y C 0.285 175.802 175.900 -0.639 0.000 1.014 172 Y CA -0.847 56.906 58.100 -0.579 0.000 1.063 172 Y CB 2.210 40.167 38.460 -0.838 0.000 1.272 172 Y HN 0.462 8.742 8.280 -0.000 0.000 0.477 173 S N 1.783 117.419 115.700 -0.107 0.000 2.536 173 S HA 0.733 5.203 4.470 0.001 0.000 0.287 173 S C -1.697 173.056 174.600 0.256 0.000 1.101 173 S CA -0.710 57.571 58.200 0.136 0.000 0.950 173 S CB 1.658 64.930 63.200 0.121 0.000 1.056 173 S HN 0.573 8.883 8.310 -0.000 0.000 0.481 174 L N 2.513 123.986 121.223 0.417 0.000 2.409 174 L HA 0.819 5.159 4.340 0.001 0.000 0.262 174 L C -0.904 176.106 176.870 0.233 0.000 0.992 174 L CA -0.292 54.737 54.840 0.315 0.000 0.817 174 L CB 2.053 44.343 42.059 0.385 0.000 1.350 174 L HN 0.763 8.993 8.230 -0.000 0.000 0.411 175 S N 1.713 117.529 115.700 0.193 0.000 2.500 175 S HA 0.679 5.150 4.470 0.001 0.000 0.301 175 S C -0.837 173.889 174.600 0.209 0.000 1.092 175 S CA -0.588 57.733 58.200 0.201 0.000 1.030 175 S CB 1.791 65.099 63.200 0.180 0.000 1.031 175 S HN 0.631 8.941 8.310 -0.000 0.000 0.483 176 S N 2.031 117.893 115.700 0.271 0.000 2.478 176 S HA 0.706 5.176 4.470 0.001 0.000 0.312 176 S C -0.901 174.030 174.600 0.551 0.000 1.094 176 S CA -0.387 58.039 58.200 0.376 0.000 1.081 176 S CB 1.011 64.420 63.200 0.349 0.000 1.007 176 S HN 0.820 9.130 8.310 -0.000 0.000 0.475 177 T N 5.223 119.999 114.554 0.370 0.000 2.809 177 T HA 0.444 4.794 4.350 0.001 0.000 0.284 177 T C -0.976 173.692 174.700 -0.053 0.000 0.992 177 T CA -0.430 61.787 62.100 0.194 0.000 0.957 177 T CB 1.104 70.038 68.868 0.110 0.000 0.942 177 T HN 0.554 8.794 8.240 -0.000 0.000 0.439 178 L N 4.011 124.983 121.223 -0.419 0.000 2.272 178 L HA 0.611 4.951 4.340 0.001 0.000 0.289 178 L C -0.274 176.405 176.870 -0.319 0.000 1.032 178 L CA 0.216 54.677 54.840 -0.631 0.000 0.810 178 L CB 1.014 42.267 42.059 -1.344 0.000 1.205 178 L HN 0.599 8.829 8.230 -0.000 0.000 0.422 179 T N 6.453 120.893 114.554 -0.190 0.000 2.779 179 T HA 0.676 5.026 4.350 0.001 0.000 0.280 179 T C -0.383 174.276 174.700 -0.068 0.000 0.987 179 T CA -0.381 61.650 62.100 -0.114 0.000 0.966 179 T CB 0.950 69.775 68.868 -0.071 0.000 0.933 179 T HN 0.459 8.699 8.240 -0.000 0.000 0.442 180 L N 1.926 123.123 121.223 -0.044 0.000 2.376 180 L HA 0.601 4.941 4.340 0.001 0.000 0.258 180 L C 0.492 177.378 176.870 0.026 0.000 1.013 180 L CA -1.196 53.663 54.840 0.031 0.000 0.822 180 L CB 2.407 44.547 42.059 0.135 0.000 1.388 180 L HN 0.726 8.956 8.230 -0.000 0.000 0.413 181 S N -0.352 115.382 115.700 0.057 0.000 2.603 181 S HA 0.139 4.610 4.470 0.001 0.000 0.268 181 S C 0.781 175.428 174.600 0.079 0.000 1.317 181 S CA -0.502 57.725 58.200 0.045 0.000 1.012 181 S CB 1.485 64.713 63.200 0.047 0.000 0.926 181 S HN 0.761 9.071 8.310 -0.000 0.000 0.539 182 K N 1.257 121.690 120.400 0.055 0.000 2.103 182 K HA -0.162 4.158 4.320 0.001 0.000 0.207 182 K C 2.135 178.811 176.600 0.127 0.000 1.048 182 K CA 1.393 57.734 56.287 0.089 0.000 0.930 182 K CB -0.869 31.660 32.500 0.047 0.000 0.716 182 K HN 0.768 9.018 8.250 -0.000 0.000 0.444 183 A N 1.752 124.620 122.820 0.080 0.000 1.851 183 A HA -0.223 4.097 4.320 0.001 0.000 0.216 183 A C 1.816 179.438 177.584 0.064 0.000 1.195 183 A CA 2.081 54.153 52.037 0.058 0.000 0.622 183 A CB -0.744 18.279 19.000 0.038 0.000 0.831 183 A HN 0.445 8.595 8.150 -0.000 0.000 0.444 184 D N -1.955 118.505 120.400 0.100 0.000 2.178 184 D HA -0.140 4.500 4.640 0.001 0.000 0.202 184 D C 1.694 178.124 176.300 0.217 0.000 0.974 184 D CA 1.515 55.595 54.000 0.135 0.000 0.841 184 D CB -0.314 40.590 40.800 0.173 0.000 0.953 184 D HN 0.608 8.978 8.370 -0.000 0.000 0.478 185 Y N 2.017 122.396 120.300 0.132 0.000 2.181 185 Y HA -0.144 4.406 4.550 0.000 0.000 0.288 185 Y C 1.756 177.763 175.900 0.177 0.000 1.146 185 Y CA 1.464 59.675 58.100 0.185 0.000 1.164 185 Y CB -0.025 38.456 38.460 0.035 0.000 0.982 185 Y HN -0.078 8.202 8.280 -0.000 0.000 0.515 186 E N -0.113 120.108 120.200 0.035 0.000 2.502 186 E HA -0.094 4.257 4.350 0.001 0.000 0.194 186 E C 1.602 178.115 176.600 -0.144 0.000 1.062 186 E CA 0.188 56.550 56.400 -0.065 0.000 0.867 186 E CB 0.037 29.757 29.700 0.032 0.000 0.888 186 E HN 0.374 8.734 8.360 -0.000 0.000 0.510 187 K N 0.520 120.763 120.400 -0.262 0.000 2.426 187 K HA -0.002 4.318 4.320 0.001 0.000 0.193 187 K C -0.041 176.059 176.600 -0.834 0.000 1.028 187 K CA 0.357 56.333 56.287 -0.518 0.000 1.047 187 K CB 0.377 32.510 32.500 -0.613 0.000 0.821 187 K HN 0.074 8.324 8.250 -0.000 0.000 0.513 188 H N -1.181 117.855 119.070 -0.057 0.000 2.894 188 H HA 0.155 4.711 4.556 0.000 0.000 0.368 188 H C -0.065 175.184 175.328 -0.132 0.000 1.181 188 H CA -0.701 55.270 56.048 -0.129 0.000 1.146 188 H CB 2.077 31.701 29.762 -0.230 0.000 1.839 188 H HN -0.184 8.096 8.280 -0.000 0.000 0.557 189 K N 0.913 121.276 120.400 -0.062 0.000 2.218 189 K HA 0.077 4.398 4.320 0.001 0.000 0.214 189 K C 0.135 176.654 176.600 -0.136 0.000 1.033 189 K CA 0.623 56.877 56.287 -0.055 0.000 0.949 189 K CB -0.055 32.420 32.500 -0.042 0.000 0.993 189 K HN 0.302 8.552 8.250 -0.000 0.000 0.464 190 V N 1.660 121.410 119.914 -0.273 0.000 2.465 190 V HA 0.472 4.592 4.120 0.001 0.000 0.279 190 V C -1.467 174.260 176.094 -0.613 0.000 1.045 190 V CA -0.658 61.450 62.300 -0.319 0.000 0.938 190 V CB 0.541 32.254 31.823 -0.183 0.000 0.986 190 V HN 0.263 8.453 8.190 -0.000 0.000 0.467 191 Y N 4.680 124.720 120.300 -0.434 0.000 2.328 191 Y HA 0.808 5.358 4.550 0.000 0.000 0.333 191 Y C 0.462 176.223 175.900 -0.231 0.000 0.958 191 Y CA -0.017 57.873 58.100 -0.351 0.000 1.167 191 Y CB 1.897 39.993 38.460 -0.606 0.000 1.151 191 Y HN 1.047 9.327 8.280 -0.000 0.000 0.470 192 A N 2.083 124.937 122.820 0.056 0.000 2.386 192 A HA 0.674 4.994 4.320 0.001 0.000 0.311 192 A C -1.411 176.178 177.584 0.007 0.000 1.068 192 A CA -0.726 51.322 52.037 0.018 0.000 0.743 192 A CB 1.104 20.073 19.000 -0.051 0.000 1.258 192 A HN 0.840 8.990 8.150 -0.000 0.000 0.429 193 c N 2.151 120.640 118.600 -0.184 0.000 2.293 193 c HA 0.689 5.259 4.570 0.001 0.000 0.323 193 c C -0.180 173.712 174.090 -0.330 0.000 1.240 193 c CA -0.343 55.674 56.329 -0.520 0.000 1.497 193 c CB -0.411 41.658 42.510 -0.736 0.000 2.171 193 c HN 0.922 9.152 8.230 -0.000 0.000 0.465 194 E N 4.413 124.436 120.200 -0.296 0.000 2.156 194 E HA 0.601 4.951 4.350 0.001 0.000 0.279 194 E C -1.244 175.229 176.600 -0.212 0.000 0.965 194 E CA -0.379 55.900 56.400 -0.201 0.000 0.789 194 E CB 1.390 31.008 29.700 -0.137 0.000 1.098 194 E HN 0.638 8.998 8.360 -0.000 0.000 0.397 195 V N 4.277 124.080 119.914 -0.185 0.000 2.384 195 V HA 0.313 4.433 4.120 0.001 0.000 0.287 195 V C -0.175 175.844 176.094 -0.123 0.000 1.020 195 V CA -0.598 61.596 62.300 -0.178 0.000 0.850 195 V CB 1.796 33.494 31.823 -0.209 0.000 0.987 195 V HN 0.737 8.927 8.190 -0.000 0.000 0.436 196 T N 5.003 119.495 114.554 -0.102 0.000 2.797 196 T HA 0.560 4.911 4.350 0.001 0.000 0.279 196 T C -0.769 173.920 174.700 -0.018 0.000 0.991 196 T CA -0.284 61.779 62.100 -0.062 0.000 0.979 196 T CB 0.524 69.354 68.868 -0.063 0.000 0.943 196 T HN 0.777 9.017 8.240 -0.000 0.000 0.444 197 H N 1.646 120.642 119.070 -0.123 0.000 3.079 197 H HA 0.179 4.736 4.556 0.000 0.000 0.356 197 H C 0.612 175.903 175.328 -0.061 0.000 1.221 197 H CA -0.451 55.526 56.048 -0.119 0.000 1.185 197 H CB 1.960 31.612 29.762 -0.184 0.000 1.882 197 H HN 0.683 8.963 8.280 -0.000 0.000 0.543 198 Q N 2.440 121.861 119.800 -0.632 0.000 2.133 198 Q HA -0.120 4.220 4.340 0.001 0.000 0.208 198 Q C 1.455 177.404 176.000 -0.085 0.000 0.991 198 Q CA 2.283 57.889 55.803 -0.329 0.000 0.867 198 Q CB -0.349 28.169 28.738 -0.366 0.000 0.911 198 Q HN 0.808 9.078 8.270 -0.000 0.000 0.417 199 G N -0.138 108.731 108.800 0.114 0.000 2.848 199 G HA2 0.120 4.081 3.960 0.001 0.000 0.208 199 G HA3 0.120 4.081 3.960 0.001 0.000 0.208 199 G C 0.048 175.023 174.900 0.125 0.000 1.152 199 G CA -0.139 45.078 45.100 0.194 0.000 0.789 199 G HN 0.176 8.466 8.290 -0.000 0.000 0.531 200 L N 1.162 122.439 121.223 0.090 0.000 2.305 200 L HA 0.238 4.578 4.340 0.001 0.000 0.284 200 L C 1.591 178.463 176.870 0.004 0.000 1.013 200 L CA -0.587 54.274 54.840 0.034 0.000 0.819 200 L CB 2.030 44.101 42.059 0.020 0.000 1.227 200 L HN 0.155 8.385 8.230 -0.000 0.000 0.417 201 S N 0.560 116.259 115.700 -0.002 0.000 2.423 201 S HA -0.015 4.455 4.470 0.001 0.000 0.231 201 S C 0.635 175.224 174.600 -0.018 0.000 1.014 201 S CA 0.448 58.642 58.200 -0.010 0.000 0.965 201 S CB -0.124 63.071 63.200 -0.008 0.000 0.785 201 S HN 0.694 9.004 8.310 -0.000 0.000 0.495 202 S N 0.162 115.848 115.700 -0.023 0.000 2.533 202 S HA 0.624 5.094 4.470 0.001 0.000 0.271 202 S C -3.483 171.093 174.600 -0.040 0.000 1.143 202 S CA -1.577 56.604 58.200 -0.031 0.000 0.891 202 S CB 0.943 64.125 63.200 -0.030 0.000 1.105 202 S HN -0.016 8.294 8.310 -0.000 0.000 0.468 203 P HA 0.142 4.562 4.420 -0.000 0.000 0.261 203 P C -0.823 176.433 177.300 -0.073 0.000 1.173 203 P CA -0.090 62.972 63.100 -0.063 0.000 0.760 203 P CB 0.315 31.976 31.700 -0.065 0.000 0.783 204 V N 4.159 124.017 119.914 -0.092 0.000 2.539 204 V HA 0.363 4.484 4.120 0.001 0.000 0.292 204 V C 0.449 176.470 176.094 -0.122 0.000 1.045 204 V CA 0.108 62.344 62.300 -0.105 0.000 0.945 204 V CB 1.721 33.469 31.823 -0.125 0.000 0.993 204 V HN 0.505 8.695 8.190 -0.000 0.000 0.464 205 T N 4.993 119.481 114.554 -0.111 0.000 2.841 205 T HA 0.462 4.813 4.350 0.001 0.000 0.285 205 T C -0.598 174.039 174.700 -0.104 0.000 0.991 205 T CA -0.797 61.235 62.100 -0.113 0.000 0.966 205 T CB 1.195 70.009 68.868 -0.090 0.000 0.962 205 T HN 0.392 8.632 8.240 -0.000 0.000 0.438 206 K N 2.542 122.874 120.400 -0.113 0.000 2.244 206 K HA 0.801 5.121 4.320 0.001 0.000 0.260 206 K C -0.264 176.330 176.600 -0.010 0.000 0.951 206 K CA -0.652 55.591 56.287 -0.074 0.000 0.826 206 K CB 1.850 34.286 32.500 -0.107 0.000 1.108 206 K HN 0.838 9.088 8.250 -0.000 0.000 0.433 207 S N 1.157 116.885 115.700 0.046 0.000 2.643 207 S HA 0.833 5.304 4.470 0.001 0.000 0.270 207 S C -1.015 173.698 174.600 0.188 0.000 1.166 207 S CA -0.978 57.263 58.200 0.068 0.000 0.815 207 S CB 1.208 64.391 63.200 -0.028 0.000 1.139 207 S HN 0.479 8.789 8.310 -0.000 0.000 0.472 208 F N -1.021 119.015 119.950 0.144 0.000 2.668 208 F HA 0.743 5.270 4.527 0.000 0.000 0.309 208 F C -1.516 174.391 175.800 0.178 0.000 1.117 208 F CA -1.042 57.042 58.000 0.139 0.000 0.951 208 F CB 1.034 40.122 39.000 0.148 0.000 1.323 208 F HN 0.510 8.810 8.300 -0.000 0.000 0.451 209 N N 1.749 120.650 118.700 0.335 0.000 2.408 209 N HA 0.272 5.013 4.740 0.001 0.000 0.280 209 N C -0.958 174.795 175.510 0.405 0.000 1.002 209 N CA -0.704 52.481 53.050 0.225 0.000 0.907 209 N CB 2.187 40.752 38.487 0.130 0.000 1.161 209 N HN 0.730 9.110 8.380 -0.000 0.000 0.488 210 R N 0.911 121.637 120.500 0.376 0.000 2.486 210 R HA 0.089 4.429 4.340 0.001 0.000 0.303 210 R C 0.877 177.303 176.300 0.211 0.000 0.958 210 R CA 1.391 57.696 56.100 0.342 0.000 1.077 210 R CB -0.288 30.083 30.300 0.118 0.000 0.921 210 R HN 0.876 9.146 8.270 -0.000 0.000 0.406 211 G N 3.310 112.230 108.800 0.200 0.000 2.175 211 G HA2 -0.329 3.631 3.960 0.001 0.000 0.244 211 G HA3 -0.329 3.631 3.960 0.001 0.000 0.244 211 G C 0.530 175.497 174.900 0.112 0.000 0.982 211 G CA 0.434 45.610 45.100 0.128 0.000 0.641 211 G HN 0.821 9.111 8.290 -0.000 0.000 0.527 212 E N -0.978 119.307 120.200 0.142 0.000 2.418 212 E HA 0.300 4.651 4.350 0.001 0.000 0.197 212 E C 1.137 177.786 176.600 0.081 0.000 1.026 212 E CA 0.611 57.079 56.400 0.112 0.000 0.862 212 E CB 0.236 30.020 29.700 0.141 0.000 0.799 212 E HN 0.899 9.259 8.360 -0.000 0.000 0.518 213 C N 0.000 119.344 119.300 0.073 0.000 2.653 213 C HA 0.000 4.460 4.460 0.001 0.000 0.325 213 C CA 0.000 59.045 59.018 0.046 0.000 1.963 213 C CB 0.000 27.760 27.740 0.033 0.000 2.134 213 C HN 0.000 8.230 8.230 -0.000 0.000 0.568