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 2gsu_1_B DATA FIRST_RESID 44 DATA SEQUENCE TPHALLLISI DGLRADMLDR GITPNLSHLA REGVRARWMA PSYPSLTFPN DATA SEQUENCE HYTLVTGLRP DHHGIVHNSM RDPTLGGFWL SKSEAVGDAR WWGGEPVWVG DATA SEQUENCE VENTGQHAAT WSWPGSEAAI KGVRPSQWRH YQKGVRLDTR VDAVRGWLAT DATA SEQUENCE DGAQRNRLVT LYFEHVDEAG HDHGPESRQY ADAVRAVDAA IGRLLAGMQR DATA SEQUENCE DGTRARTNII VVSDHGMAEV APGHAISVED IAPPQIATAI TDGQVIGFEP DATA SEQUENCE LPGQQAAAEA SVLGAHDHYD cWRKAELPAR WQYGSHPRIP SLVcQMHEGW DATA SEQUENCE DALFPDKLAK RAQRGTRGSH GYDPALPSMR AVFLAQGPDL AQGKTLPGFD DATA SEQUENCE NVDVYALMSR LLGIPAAPND GNPATLLPAL RM 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 44 T HA 0.000 nan 4.350 nan 0.000 0.228 44 T C 0.000 174.704 174.700 0.006 0.000 1.109 44 T CA 0.000 62.107 62.100 0.012 0.000 1.349 44 T CB 0.000 68.890 68.868 0.037 0.000 0.612 45 P HA 0.261 nan 4.420 nan 0.000 0.269 45 P C -0.313 177.019 177.300 0.054 0.000 1.217 45 P CA -0.301 62.769 63.100 -0.051 0.000 0.783 45 P CB 0.301 31.977 31.700 -0.040 0.000 0.898 46 H N -0.428 118.642 119.070 0.000 0.000 2.722 46 H HA 0.403 4.959 4.556 -0.000 0.000 0.328 46 H C 0.354 175.687 175.328 0.008 0.000 1.067 46 H CA -0.918 55.133 56.048 0.005 0.000 1.447 46 H CB 0.745 30.508 29.762 0.002 0.000 1.469 46 H HN 0.495 nan 8.280 nan 0.000 0.544 47 A N 3.350 126.253 122.820 0.139 0.000 2.322 47 A HA 0.325 4.645 4.320 -0.000 0.000 0.269 47 A C -0.584 177.042 177.584 0.070 0.000 1.094 47 A CA -0.509 51.579 52.037 0.086 0.000 0.807 47 A CB 0.460 19.506 19.000 0.077 0.000 1.047 47 A HN 0.547 nan 8.150 nan 0.000 0.487 48 L N 2.044 123.301 121.223 0.057 0.000 2.313 48 L HA 0.618 4.958 4.340 -0.000 0.000 0.283 48 L C -0.860 176.044 176.870 0.057 0.000 1.013 48 L CA -0.606 54.261 54.840 0.046 0.000 0.816 48 L CB 1.488 43.566 42.059 0.031 0.000 1.236 48 L HN 0.619 nan 8.230 nan 0.000 0.419 49 L N 5.979 127.236 121.223 0.057 0.000 2.260 49 L HA 0.502 4.842 4.340 -0.000 0.000 0.289 49 L C -1.162 175.759 176.870 0.085 0.000 1.057 49 L CA -0.145 54.744 54.840 0.081 0.000 0.811 49 L CB 1.098 43.202 42.059 0.075 0.000 1.184 49 L HN 0.698 nan 8.230 nan 0.000 0.429 50 L N 7.109 128.396 121.223 0.106 0.000 2.282 50 L HA 0.604 4.944 4.340 -0.000 0.000 0.288 50 L C -0.855 176.181 176.870 0.276 0.000 1.033 50 L CA -0.011 54.910 54.840 0.134 0.000 0.807 50 L CB 0.977 43.041 42.059 0.007 0.000 1.209 50 L HN 0.548 nan 8.230 nan 0.000 0.423 51 I N 3.918 124.671 120.570 0.305 0.000 2.410 51 I HA 0.319 4.489 4.170 -0.000 0.000 0.286 51 I C -0.266 176.088 176.117 0.396 0.000 1.009 51 I CA -0.446 61.062 61.300 0.346 0.000 1.111 51 I CB 1.843 39.990 38.000 0.245 0.000 1.262 51 I HN 0.571 nan 8.210 nan 0.000 0.443 52 S N 7.155 123.126 115.700 0.451 0.000 2.442 52 S HA 0.610 5.080 4.470 -0.000 0.000 0.297 52 S C -0.406 174.293 174.600 0.165 0.000 1.131 52 S CA -0.529 57.851 58.200 0.300 0.000 1.092 52 S CB 0.551 63.906 63.200 0.257 0.000 0.998 52 S HN 0.467 nan 8.310 nan 0.000 0.478 53 I N 4.437 125.064 120.570 0.095 0.000 2.313 53 I HA 0.193 4.363 4.170 -0.000 0.000 0.286 53 I C 0.379 176.453 176.117 -0.072 0.000 1.091 53 I CA -0.609 60.698 61.300 0.013 0.000 1.216 53 I CB 0.646 38.641 38.000 -0.008 0.000 1.434 53 I HN 0.577 nan 8.210 nan 0.000 0.487 54 D N 5.290 125.610 120.400 -0.133 0.000 2.583 54 D HA -0.048 4.592 4.640 -0.000 0.000 0.232 54 D C 1.285 177.503 176.300 -0.136 0.000 1.128 54 D CA 1.723 55.679 54.000 -0.074 0.000 0.859 54 D CB 0.966 41.803 40.800 0.062 0.000 1.169 54 D HN 0.917 nan 8.370 nan 0.000 0.481 55 G N 2.979 111.532 108.800 -0.410 0.000 2.155 55 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.257 55 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.257 55 G C 0.351 175.263 174.900 0.020 0.000 0.983 55 G CA 0.410 45.367 45.100 -0.239 0.000 0.676 55 G HN 0.528 nan 8.290 nan 0.000 0.528 56 L N 1.089 122.288 121.223 -0.040 0.000 2.315 56 L HA 0.621 4.961 4.340 -0.000 0.000 0.283 56 L C 0.910 177.827 176.870 0.080 0.000 1.089 56 L CA -0.667 54.195 54.840 0.035 0.000 0.833 56 L CB 0.553 42.594 42.059 -0.030 0.000 1.170 56 L HN 0.301 nan 8.230 nan 0.000 0.442 57 R N 3.519 124.122 120.500 0.172 0.000 2.490 57 R HA 0.421 4.761 4.340 -0.000 0.000 0.278 57 R C 1.157 177.534 176.300 0.128 0.000 1.069 57 R CA 0.418 56.602 56.100 0.140 0.000 1.080 57 R CB 1.349 31.734 30.300 0.141 0.000 1.030 57 R HN 0.887 nan 8.270 nan 0.000 0.491 58 A N 2.867 125.766 122.820 0.131 0.000 1.940 58 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 58 A C 1.430 179.105 177.584 0.153 0.000 1.176 58 A CA 1.882 54.021 52.037 0.170 0.000 0.631 58 A CB -0.449 18.697 19.000 0.244 0.000 0.814 58 A HN 0.950 nan 8.150 nan 0.000 0.446 59 D N -0.781 119.694 120.400 0.125 0.000 2.348 59 D HA -0.127 4.512 4.640 -0.000 0.000 0.216 59 D C 1.524 177.884 176.300 0.099 0.000 0.970 59 D CA 0.682 54.747 54.000 0.108 0.000 0.889 59 D CB -0.423 40.427 40.800 0.082 0.000 0.912 59 D HN 0.330 nan 8.370 nan 0.000 0.524 60 M N 0.328 119.993 119.600 0.109 0.000 2.460 60 M HA 0.048 4.528 4.480 -0.000 0.000 0.263 60 M C 2.133 178.468 176.300 0.058 0.000 1.071 60 M CA 0.466 55.824 55.300 0.097 0.000 1.096 60 M CB -0.567 32.105 32.600 0.119 0.000 1.408 60 M HN 0.121 nan 8.290 nan 0.000 0.463 61 L N -0.284 120.976 121.223 0.063 0.000 2.376 61 L HA -0.135 4.204 4.340 -0.000 0.000 0.219 61 L C 0.464 177.363 176.870 0.048 0.000 1.133 61 L CA 0.663 55.532 54.840 0.048 0.000 0.816 61 L CB -0.387 41.708 42.059 0.061 0.000 0.933 61 L HN 0.222 nan 8.230 nan 0.000 0.449 62 D N 0.068 120.503 120.400 0.057 0.000 2.643 62 D HA 0.136 4.776 4.640 -0.000 0.000 0.244 62 D C 0.839 177.166 176.300 0.044 0.000 1.257 62 D CA 0.062 54.094 54.000 0.053 0.000 0.831 62 D CB 0.471 41.309 40.800 0.064 0.000 1.043 62 D HN 0.311 nan 8.370 nan 0.000 0.488 63 R N -0.312 120.211 120.500 0.038 0.000 2.596 63 R HA 0.286 4.626 4.340 -0.000 0.000 0.369 63 R C 0.902 177.213 176.300 0.019 0.000 1.042 63 R CA -0.245 55.874 56.100 0.032 0.000 1.120 63 R CB 0.959 31.283 30.300 0.040 0.000 1.353 63 R HN 0.029 nan 8.270 nan 0.000 0.564 64 G N 2.607 111.415 108.800 0.014 0.000 2.273 64 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.280 64 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.280 64 G C 0.535 175.431 174.900 -0.007 0.000 1.047 64 G CA 0.828 45.930 45.100 0.004 0.000 0.869 64 G HN 0.589 nan 8.290 nan 0.000 0.502 65 I N -3.651 116.913 120.570 -0.011 0.000 4.338 65 I HA 0.363 4.533 4.170 -0.000 0.000 0.329 65 I C 0.845 176.935 176.117 -0.046 0.000 1.378 65 I CA 0.391 61.673 61.300 -0.029 0.000 1.170 65 I CB 0.697 38.681 38.000 -0.027 0.000 1.206 65 I HN 0.126 nan 8.210 nan 0.000 0.432 66 T N -1.377 113.157 114.554 -0.033 0.000 3.532 66 T HA 0.419 4.769 4.350 -0.000 0.000 0.241 66 T C -1.748 172.938 174.700 -0.023 0.000 1.238 66 T CA -1.408 60.667 62.100 -0.041 0.000 1.405 66 T CB 0.213 69.061 68.868 -0.034 0.000 0.971 66 T HN 0.011 nan 8.240 nan 0.000 0.640 67 P HA -0.136 nan 4.420 nan 0.000 0.216 67 P C 1.197 178.500 177.300 0.004 0.000 1.150 67 P CA 1.173 64.262 63.100 -0.017 0.000 0.843 67 P CB 0.213 31.890 31.700 -0.039 0.000 0.787 68 N N -0.261 118.432 118.700 -0.011 0.000 2.207 68 N HA -0.001 4.738 4.740 -0.000 0.000 0.182 68 N C 2.050 177.578 175.510 0.031 0.000 1.020 68 N CA 0.898 53.956 53.050 0.013 0.000 0.858 68 N CB -0.485 37.987 38.487 -0.025 0.000 0.991 68 N HN 0.210 nan 8.380 nan 0.000 0.427 69 L N 0.752 121.973 121.223 -0.003 0.000 2.093 69 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 69 L C 2.393 179.270 176.870 0.012 0.000 1.085 69 L CA 0.724 55.560 54.840 -0.007 0.000 0.755 69 L CB -0.374 41.669 42.059 -0.026 0.000 0.904 69 L HN 0.049 nan 8.230 nan 0.000 0.435 70 S N -1.238 114.479 115.700 0.028 0.000 2.368 70 S HA -0.238 4.232 4.470 -0.000 0.000 0.225 70 S C 1.944 176.588 174.600 0.072 0.000 1.030 70 S CA 1.306 59.531 58.200 0.042 0.000 0.999 70 S CB -0.334 62.891 63.200 0.042 0.000 0.844 70 S HN 0.482 nan 8.310 nan 0.000 0.459 71 H N 1.204 120.263 119.070 -0.018 0.000 2.293 71 H HA 0.013 4.568 4.556 -0.000 0.000 0.300 71 H C 2.004 177.321 175.328 -0.017 0.000 1.082 71 H CA 1.575 57.613 56.048 -0.016 0.000 1.308 71 H CB -0.685 29.065 29.762 -0.020 0.000 1.375 71 H HN 0.228 nan 8.280 nan 0.000 0.495 72 L N 0.187 121.376 121.223 -0.056 0.000 2.079 72 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 72 L C 2.400 179.206 176.870 -0.107 0.000 1.081 72 L CA 1.921 56.693 54.840 -0.112 0.000 0.752 72 L CB -0.950 41.081 42.059 -0.046 0.000 0.896 72 L HN 0.406 nan 8.230 nan 0.000 0.433 73 A N -0.785 121.997 122.820 -0.064 0.000 1.929 73 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 73 A C 2.375 179.930 177.584 -0.049 0.000 1.176 73 A CA 1.306 53.316 52.037 -0.045 0.000 0.628 73 A CB -0.439 18.555 19.000 -0.011 0.000 0.816 73 A HN 0.463 nan 8.150 nan 0.000 0.444 74 R N -0.293 120.171 120.500 -0.061 0.000 2.115 74 R HA -0.090 4.250 4.340 -0.000 0.000 0.230 74 R C 1.853 178.090 176.300 -0.105 0.000 1.111 74 R CA 1.364 57.428 56.100 -0.059 0.000 0.976 74 R CB -0.256 30.030 30.300 -0.024 0.000 0.870 74 R HN 0.644 nan 8.270 nan 0.000 0.445 75 E N -0.379 119.706 120.200 -0.192 0.000 2.268 75 E HA -0.069 4.281 4.350 -0.000 0.000 0.195 75 E C 1.168 177.706 176.600 -0.103 0.000 0.995 75 E CA 0.898 57.187 56.400 -0.185 0.000 0.836 75 E CB 0.247 29.789 29.700 -0.264 0.000 0.763 75 E HN 0.412 nan 8.360 nan 0.000 0.491 76 G N -0.381 108.370 108.800 -0.082 0.000 3.382 76 G HA2 0.422 4.382 3.960 -0.000 0.000 0.183 76 G HA3 0.422 4.382 3.960 -0.000 0.000 0.183 76 G C -0.858 174.027 174.900 -0.025 0.000 1.246 76 G CA -0.343 44.726 45.100 -0.050 0.000 0.828 76 G HN -0.003 nan 8.290 nan 0.000 0.728 77 V N 0.320 120.227 119.914 -0.011 0.000 2.789 77 V HA 0.774 4.894 4.120 -0.000 0.000 0.311 77 V C -0.796 175.332 176.094 0.058 0.000 1.073 77 V CA -0.735 61.584 62.300 0.032 0.000 0.921 77 V CB 1.936 33.802 31.823 0.072 0.000 1.009 77 V HN 0.902 nan 8.190 nan 0.000 0.426 78 R N 3.493 124.047 120.500 0.090 0.000 2.510 78 R HA 0.797 5.136 4.340 -0.000 0.000 0.294 78 R C -0.718 175.671 176.300 0.150 0.000 1.056 78 R CA 0.086 56.259 56.100 0.121 0.000 0.918 78 R CB 1.439 31.778 30.300 0.065 0.000 1.187 78 R HN 0.975 nan 8.270 nan 0.000 0.437 79 A N 3.763 126.749 122.820 0.277 0.000 2.371 79 A HA 0.352 4.672 4.320 -0.000 0.000 0.257 79 A C 0.545 178.185 177.584 0.093 0.000 1.089 79 A CA -0.495 51.637 52.037 0.157 0.000 0.794 79 A CB 0.509 19.692 19.000 0.305 0.000 1.029 79 A HN 0.982 nan 8.150 nan 0.000 0.488 80 R N 0.498 120.946 120.500 -0.086 0.000 2.091 80 R HA -0.084 4.256 4.340 -0.000 0.000 0.238 80 R C 0.115 176.498 176.300 0.137 0.000 1.136 80 R CA 1.983 58.051 56.100 -0.054 0.000 0.959 80 R CB -0.098 30.056 30.300 -0.243 0.000 0.856 80 R HN 0.881 nan 8.270 nan 0.000 0.437 81 W N -2.658 118.747 121.300 0.174 0.000 2.937 81 W HA 0.426 5.086 4.660 -0.001 0.000 0.360 81 W C -1.603 175.000 176.519 0.140 0.000 1.215 81 W CA -1.062 56.370 57.345 0.145 0.000 1.183 81 W CB 0.522 30.038 29.460 0.092 0.000 1.458 81 W HN -0.244 nan 8.180 nan 0.000 0.574 82 M N 2.584 122.424 119.600 0.400 0.000 2.204 82 M HA 0.602 5.082 4.480 -0.000 0.000 0.293 82 M C -0.650 175.739 176.300 0.148 0.000 0.994 82 M CA -0.250 55.065 55.300 0.025 0.000 0.925 82 M CB 1.780 34.316 32.600 -0.107 0.000 1.577 82 M HN 0.558 nan 8.290 nan 0.000 0.439 83 A N 7.173 130.081 122.820 0.145 0.000 2.401 83 A HA 0.710 5.030 4.320 -0.000 0.000 0.259 83 A C -2.638 174.964 177.584 0.030 0.000 1.103 83 A CA -1.182 50.928 52.037 0.122 0.000 0.789 83 A CB -0.313 18.792 19.000 0.175 0.000 1.035 83 A HN 0.556 nan 8.150 nan 0.000 0.491 84 P HA 0.237 nan 4.420 nan 0.000 0.276 84 P C -0.141 177.191 177.300 0.054 0.000 1.261 84 P CA -0.285 62.843 63.100 0.046 0.000 0.800 84 P CB 0.786 32.522 31.700 0.060 0.000 1.066 85 S N -0.635 115.099 115.700 0.056 0.000 2.652 85 S HA 0.254 4.724 4.470 -0.000 0.000 0.270 85 S C -0.479 174.133 174.600 0.021 0.000 1.243 85 S CA -0.198 58.043 58.200 0.068 0.000 0.999 85 S CB 0.002 63.251 63.200 0.082 0.000 0.973 85 S HN 0.362 nan 8.310 nan 0.000 0.544 86 Y N 4.155 124.385 120.300 -0.117 0.000 2.335 86 Y HA 0.317 4.867 4.550 -0.000 0.000 0.331 86 Y C -2.167 173.525 175.900 -0.346 0.000 1.094 86 Y CA -1.781 56.124 58.100 -0.326 0.000 1.253 86 Y CB 0.677 38.873 38.460 -0.439 0.000 1.203 86 Y HN 0.361 nan 8.280 nan 0.000 0.508 87 P HA 0.063 nan 4.420 nan 0.000 0.281 87 P C -0.698 176.266 177.300 -0.559 0.000 1.249 87 P CA -0.487 61.922 63.100 -1.153 0.000 0.810 87 P CB 1.355 32.457 31.700 -0.997 0.000 1.008 88 S N 2.557 117.942 115.700 -0.526 0.000 3.811 88 S HA 0.229 4.698 4.470 -0.000 0.000 0.205 88 S C 0.192 174.706 174.600 -0.144 0.000 1.445 88 S CA -0.392 57.675 58.200 -0.221 0.000 1.097 88 S CB -1.513 61.602 63.200 -0.141 0.000 1.350 88 S HN 0.280 nan 8.310 nan 0.000 0.471 89 L N 0.155 121.300 121.223 -0.129 0.000 2.298 89 L HA 0.479 4.818 4.340 -0.000 0.000 0.268 89 L C 1.617 178.599 176.870 0.187 0.000 1.010 89 L CA -1.021 53.803 54.840 -0.026 0.000 0.812 89 L CB 0.881 42.804 42.059 -0.227 0.000 1.331 89 L HN 0.191 nan 8.230 nan 0.000 0.450 90 T N -0.409 114.330 114.554 0.308 0.000 2.668 90 T HA -0.069 4.281 4.350 -0.000 0.000 0.258 90 T C 1.529 176.560 174.700 0.551 0.000 1.051 90 T CA 1.409 63.802 62.100 0.488 0.000 1.155 90 T CB -0.196 68.959 68.868 0.480 0.000 0.864 90 T HN 0.286 nan 8.240 nan 0.000 0.413 91 F N 1.640 121.719 119.950 0.215 0.000 2.069 91 F HA 0.024 4.551 4.527 -0.000 0.000 0.298 91 F C -0.649 175.351 175.800 0.333 0.000 1.113 91 F CA 0.681 58.833 58.000 0.253 0.000 1.214 91 F CB -1.860 37.281 39.000 0.235 0.000 0.978 91 F HN 0.175 nan 8.300 nan 0.000 0.474 92 P HA -0.183 nan 4.420 nan 0.000 0.216 92 P C 1.270 178.840 177.300 0.451 0.000 1.154 92 P CA 1.821 65.194 63.100 0.455 0.000 0.865 92 P CB -0.038 31.804 31.700 0.237 0.000 0.789 93 N N -2.198 116.691 118.700 0.315 0.000 2.368 93 N HA -0.069 4.671 4.740 -0.000 0.000 0.176 93 N C 1.669 177.299 175.510 0.201 0.000 1.021 93 N CA 0.713 53.897 53.050 0.223 0.000 0.888 93 N CB -0.484 38.078 38.487 0.124 0.000 0.995 93 N HN 0.302 nan 8.380 nan 0.000 0.437 94 H N -0.777 118.420 119.070 0.212 0.000 2.387 94 H HA -0.102 4.454 4.556 -0.000 0.000 0.299 94 H C 1.412 177.048 175.328 0.514 0.000 1.090 94 H CA 1.436 57.615 56.048 0.219 0.000 1.332 94 H CB -0.032 29.582 29.762 -0.247 0.000 1.386 94 H HN 0.212 nan 8.280 nan 0.000 0.516 95 Y N 0.580 121.079 120.300 0.333 0.000 2.457 95 Y HA -0.104 4.445 4.550 -0.000 0.000 0.292 95 Y C 2.204 178.114 175.900 0.017 0.000 1.125 95 Y CA 1.013 59.203 58.100 0.150 0.000 1.254 95 Y CB -0.127 38.346 38.460 0.022 0.000 1.012 95 Y HN 0.092 nan 8.280 nan 0.000 0.555 96 T N 0.698 115.365 114.554 0.188 0.000 2.777 96 T HA -0.162 4.187 4.350 -0.000 0.000 0.266 96 T C 2.081 176.855 174.700 0.123 0.000 1.040 96 T CA 1.617 63.832 62.100 0.192 0.000 1.141 96 T CB -0.473 68.559 68.868 0.273 0.000 0.868 96 T HN 0.257 nan 8.240 nan 0.000 0.444 97 L N 1.339 122.696 121.223 0.223 0.000 2.043 97 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 97 L C 2.589 179.581 176.870 0.204 0.000 1.075 97 L CA 1.294 56.295 54.840 0.269 0.000 0.752 97 L CB -0.673 41.640 42.059 0.423 0.000 0.891 97 L HN 0.279 nan 8.230 nan 0.000 0.432 98 V N -5.135 114.847 119.914 0.115 0.000 3.608 98 V HA 0.032 4.151 4.120 -0.000 0.000 0.269 98 V C 1.902 177.926 176.094 -0.116 0.000 1.245 98 V CA 1.087 63.350 62.300 -0.061 0.000 1.138 98 V CB -0.404 31.224 31.823 -0.325 0.000 0.841 98 V HN 0.540 nan 8.190 nan 0.000 0.451 99 T N -3.885 110.481 114.554 -0.313 0.000 2.990 99 T HA 0.396 4.746 4.350 -0.000 0.000 0.249 99 T C 1.789 175.945 174.700 -0.906 0.000 1.039 99 T CA 0.864 62.595 62.100 -0.615 0.000 1.036 99 T CB 0.341 68.823 68.868 -0.644 0.000 0.994 99 T HN 1.449 nan 8.240 nan 0.000 0.489 100 G N 1.556 110.104 108.800 -0.421 0.000 2.153 100 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.252 100 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.252 100 G C -0.125 174.703 174.900 -0.121 0.000 0.994 100 G CA 0.455 45.417 45.100 -0.230 0.000 0.698 100 G HN 0.634 nan 8.290 nan 0.000 0.521 101 L N 0.305 121.491 121.223 -0.062 0.000 2.334 101 L HA 0.605 4.945 4.340 -0.000 0.000 0.276 101 L C 0.885 177.823 176.870 0.113 0.000 1.014 101 L CA -1.431 53.450 54.840 0.069 0.000 0.815 101 L CB 1.154 43.292 42.059 0.132 0.000 1.268 101 L HN -0.023 nan 8.230 nan 0.000 0.428 102 R N 2.405 122.900 120.500 -0.009 0.000 2.623 102 R HA 0.080 4.420 4.340 -0.000 0.000 0.271 102 R C -1.704 174.398 176.300 -0.329 0.000 1.043 102 R CA -1.716 54.313 56.100 -0.117 0.000 1.083 102 R CB 0.120 30.272 30.300 -0.246 0.000 0.974 102 R HN 0.321 nan 8.270 nan 0.000 0.436 103 P HA -0.167 nan 4.420 nan 0.000 0.217 103 P C 0.690 177.798 177.300 -0.321 0.000 1.148 103 P CA 1.227 63.927 63.100 -0.667 0.000 0.828 103 P CB 0.201 31.855 31.700 -0.078 0.000 0.783 104 D N -2.054 118.284 120.400 -0.103 0.000 2.265 104 D HA -0.170 4.470 4.640 -0.000 0.000 0.208 104 D C 1.573 177.974 176.300 0.169 0.000 0.977 104 D CA 1.245 55.220 54.000 -0.041 0.000 0.871 104 D CB -0.249 40.513 40.800 -0.063 0.000 0.925 104 D HN 0.385 nan 8.370 nan 0.000 0.485 105 H N -2.585 116.489 119.070 0.006 0.000 2.460 105 H HA 0.086 4.642 4.556 -0.000 0.000 0.297 105 H C 1.705 177.118 175.328 0.141 0.000 1.023 105 H CA 0.674 56.774 56.048 0.086 0.000 1.321 105 H CB 0.094 29.884 29.762 0.048 0.000 1.455 105 H HN 0.390 nan 8.280 nan 0.000 0.539 106 H N -0.680 118.542 119.070 0.254 0.000 2.548 106 H HA 0.163 4.719 4.556 -0.000 0.000 0.268 106 H C 1.378 176.828 175.328 0.203 0.000 0.975 106 H CA 0.611 56.811 56.048 0.253 0.000 1.195 106 H CB 0.463 30.378 29.762 0.255 0.000 1.397 106 H HN 0.514 nan 8.280 nan 0.000 0.572 107 G N 1.741 110.568 108.800 0.044 0.000 2.195 107 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.246 107 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.246 107 G C 0.232 175.005 174.900 -0.211 0.000 0.984 107 G CA 0.174 45.063 45.100 -0.352 0.000 0.633 107 G HN 0.346 nan 8.290 nan 0.000 0.525 108 I N 3.223 123.872 120.570 0.132 0.000 2.243 108 I HA 0.226 4.396 4.170 -0.000 0.000 0.289 108 I C 1.911 178.066 176.117 0.064 0.000 1.140 108 I CA 0.023 61.311 61.300 -0.020 0.000 1.289 108 I CB 0.170 38.203 38.000 0.055 0.000 1.498 108 I HN 0.253 nan 8.210 nan 0.000 0.561 109 V N 1.026 120.914 119.914 -0.043 0.000 3.461 109 V HA 0.195 4.315 4.120 -0.000 0.000 0.267 109 V C 0.766 177.010 176.094 0.250 0.000 1.186 109 V CA 0.859 63.228 62.300 0.116 0.000 1.154 109 V CB -0.701 31.148 31.823 0.044 0.000 0.802 109 V HN 0.707 nan 8.190 nan 0.000 0.474 110 H N -0.687 118.390 119.070 0.011 0.000 2.917 110 H HA 0.309 4.865 4.556 -0.000 0.000 0.299 110 H C 0.151 175.473 175.328 -0.010 0.000 1.418 110 H CA -0.236 55.812 56.048 0.000 0.000 1.138 110 H CB 1.607 31.372 29.762 0.004 0.000 1.830 110 H HN -0.056 nan 8.280 nan 0.000 0.514 111 N N 0.036 118.763 118.700 0.046 0.000 2.188 111 N HA -0.055 4.685 4.740 -0.000 0.000 0.184 111 N C -0.234 175.414 175.510 0.230 0.000 1.018 111 N CA 0.999 54.100 53.050 0.086 0.000 0.858 111 N CB 0.158 38.637 38.487 -0.014 0.000 0.989 111 N HN 0.244 nan 8.380 nan 0.000 0.426 112 S N 0.400 116.313 115.700 0.356 0.000 2.478 112 S HA 0.583 5.053 4.470 -0.000 0.000 0.312 112 S C -0.067 174.613 174.600 0.134 0.000 1.094 112 S CA -0.603 57.751 58.200 0.257 0.000 1.081 112 S CB 2.208 65.499 63.200 0.152 0.000 1.007 112 S HN 0.015 nan 8.310 nan 0.000 0.475 113 M N 2.211 121.897 119.600 0.143 0.000 2.704 113 M HA 0.587 5.067 4.480 -0.000 0.000 0.284 113 M C -0.700 175.718 176.300 0.197 0.000 1.275 113 M CA -0.709 54.644 55.300 0.088 0.000 0.811 113 M CB 2.403 34.989 32.600 -0.023 0.000 1.741 113 M HN 0.474 nan 8.290 nan 0.000 0.458 114 R N 0.073 120.715 120.500 0.236 0.000 2.771 114 R HA 0.643 4.982 4.340 -0.000 0.000 0.274 114 R C -1.891 174.601 176.300 0.319 0.000 0.987 114 R CA -0.886 55.393 56.100 0.298 0.000 0.908 114 R CB 2.376 32.785 30.300 0.182 0.000 1.213 114 R HN 0.667 nan 8.270 nan 0.000 0.468 115 D N 0.530 121.106 120.400 0.293 0.000 2.857 115 D HA 0.334 4.973 4.640 -0.000 0.000 0.227 115 D C -2.068 174.269 176.300 0.063 0.000 1.192 115 D CA -1.813 52.255 54.000 0.114 0.000 0.857 115 D CB 2.400 43.144 40.800 -0.093 0.000 1.645 115 D HN 0.087 nan 8.370 nan 0.000 0.482 116 P HA -0.025 nan 4.420 nan 0.000 0.220 116 P C 0.706 178.002 177.300 -0.005 0.000 1.148 116 P CA 0.992 64.102 63.100 0.018 0.000 0.803 116 P CB 0.330 32.034 31.700 0.007 0.000 0.782 117 T N -0.755 113.770 114.554 -0.049 0.000 2.904 117 T HA 0.105 4.455 4.350 -0.000 0.000 0.243 117 T C 1.571 176.225 174.700 -0.076 0.000 1.024 117 T CA 0.732 62.791 62.100 -0.068 0.000 1.158 117 T CB -0.709 68.096 68.868 -0.104 0.000 0.867 117 T HN 0.017 nan 8.240 nan 0.000 0.429 118 L N 0.827 121.950 121.223 -0.167 0.000 2.554 118 L HA 0.311 4.651 4.340 -0.000 0.000 0.226 118 L C 1.605 178.545 176.870 0.117 0.000 1.137 118 L CA 0.045 54.780 54.840 -0.175 0.000 0.863 118 L CB -0.923 40.708 42.059 -0.713 0.000 0.985 118 L HN 0.541 nan 8.230 nan 0.000 0.451 119 G N -0.114 108.780 108.800 0.156 0.000 2.542 119 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.235 119 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.235 119 G C 0.161 175.324 174.900 0.439 0.000 1.286 119 G CA -0.549 44.702 45.100 0.251 0.000 0.904 119 G HN 0.436 nan 8.290 nan 0.000 0.577 120 G N -1.091 107.911 108.800 0.336 0.000 2.504 120 G HA2 0.714 4.674 3.960 -0.000 0.000 0.288 120 G HA3 0.714 4.674 3.960 -0.000 0.000 0.288 120 G C -1.099 173.856 174.900 0.093 0.000 1.182 120 G CA 0.209 45.507 45.100 0.330 0.000 0.894 120 G HN 1.444 nan 8.290 nan 0.000 0.521 121 F N 1.384 121.222 119.950 -0.187 0.000 2.585 121 F HA 0.618 5.145 4.527 -0.000 0.000 0.319 121 F C -1.122 174.581 175.800 -0.161 0.000 1.165 121 F CA -1.157 56.471 58.000 -0.620 0.000 0.949 121 F CB 1.254 39.465 39.000 -1.316 0.000 1.218 121 F HN 0.712 nan 8.300 nan 0.000 0.453 122 W N 5.138 126.045 121.300 -0.655 0.000 3.047 122 W HA 0.556 5.215 4.660 -0.000 0.000 0.341 122 W C -0.717 175.352 176.519 -0.749 0.000 1.225 122 W CA -1.104 55.932 57.345 -0.515 0.000 1.150 122 W CB 0.525 29.827 29.460 -0.262 0.000 1.470 122 W HN 0.388 nan 8.180 nan 0.000 0.578 123 L N 1.715 122.707 121.223 -0.384 0.000 2.042 123 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 123 L C 2.135 178.809 176.870 -0.326 0.000 1.076 123 L CA 2.160 56.653 54.840 -0.578 0.000 0.749 123 L CB -0.935 40.865 42.059 -0.432 0.000 0.893 123 L HN 0.719 nan 8.230 nan 0.000 0.432 124 S N -1.263 114.351 115.700 -0.144 0.000 2.634 124 S HA -0.003 4.467 4.470 -0.000 0.000 0.221 124 S C 0.810 175.272 174.600 -0.230 0.000 0.952 124 S CA -0.329 57.832 58.200 -0.066 0.000 0.930 124 S CB -0.197 63.057 63.200 0.090 0.000 0.780 124 S HN 0.251 nan 8.310 nan 0.000 0.498 125 K N 2.750 122.779 120.400 -0.618 0.000 2.180 125 K HA 0.219 4.539 4.320 -0.000 0.000 0.250 125 K C 1.249 177.553 176.600 -0.494 0.000 1.135 125 K CA 0.108 55.924 56.287 -0.784 0.000 1.037 125 K CB -0.019 31.535 32.500 -1.576 0.000 1.624 125 K HN 0.329 nan 8.250 nan 0.000 0.382 126 S N 2.383 117.928 115.700 -0.257 0.000 2.440 126 S HA -0.156 4.313 4.470 -0.000 0.000 0.238 126 S C 1.045 175.595 174.600 -0.083 0.000 1.010 126 S CA 1.110 59.239 58.200 -0.117 0.000 0.972 126 S CB -0.058 63.123 63.200 -0.032 0.000 0.774 126 S HN 0.717 nan 8.310 nan 0.000 0.501 127 E N 0.491 120.616 120.200 -0.126 0.000 2.435 127 E HA 0.258 4.607 4.350 -0.000 0.000 0.195 127 E C 2.006 178.599 176.600 -0.012 0.000 1.029 127 E CA 0.506 56.876 56.400 -0.049 0.000 0.865 127 E CB -0.031 29.639 29.700 -0.049 0.000 0.833 127 E HN 0.745 nan 8.360 nan 0.000 0.510 128 A N 0.428 123.163 122.820 -0.142 0.000 1.881 128 A HA -0.019 4.301 4.320 -0.000 0.000 0.210 128 A C 2.309 179.900 177.584 0.012 0.000 1.239 128 A CA 0.246 52.246 52.037 -0.062 0.000 0.629 128 A CB -0.494 18.220 19.000 -0.476 0.000 0.906 128 A HN 0.086 nan 8.150 nan 0.000 0.460 129 V N 0.561 120.327 119.914 -0.247 0.000 2.439 129 V HA -0.233 3.887 4.120 -0.000 0.000 0.253 129 V C 2.443 178.763 176.094 0.376 0.000 1.074 129 V CA 1.986 64.386 62.300 0.167 0.000 1.076 129 V CB -1.268 30.560 31.823 0.009 0.000 0.664 129 V HN 0.622 nan 8.190 nan 0.000 0.461 130 G N -0.976 107.935 108.800 0.185 0.000 2.985 130 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.209 130 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.209 130 G C 0.241 175.260 174.900 0.199 0.000 1.165 130 G CA 0.039 45.215 45.100 0.127 0.000 0.776 130 G HN 0.482 nan 8.290 nan 0.000 0.541 131 D N 0.720 121.340 120.400 0.367 0.000 2.313 131 D HA 0.477 5.117 4.640 -0.000 0.000 0.239 131 D C 1.486 178.092 176.300 0.510 0.000 1.142 131 D CA -0.117 54.108 54.000 0.374 0.000 0.847 131 D CB 1.439 42.487 40.800 0.413 0.000 1.082 131 D HN -0.015 nan 8.370 nan 0.000 0.480 132 A N 4.972 127.994 122.820 0.336 0.000 2.076 132 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 132 A C 2.030 179.826 177.584 0.353 0.000 1.160 132 A CA 1.100 53.359 52.037 0.369 0.000 0.653 132 A CB -0.220 18.891 19.000 0.185 0.000 0.801 132 A HN 0.666 nan 8.150 nan 0.000 0.455 133 R N -1.829 118.782 120.500 0.185 0.000 2.152 133 R HA -0.183 4.157 4.340 -0.000 0.000 0.232 133 R C 1.711 177.951 176.300 -0.101 0.000 1.117 133 R CA 1.453 57.552 56.100 -0.002 0.000 0.981 133 R CB -0.284 29.935 30.300 -0.135 0.000 0.870 133 R HN 0.800 nan 8.270 nan 0.000 0.451 134 W N -0.403 120.863 121.300 -0.056 0.000 2.436 134 W HA -0.089 4.571 4.660 -0.000 0.000 0.284 134 W C 0.125 176.371 176.519 -0.455 0.000 1.225 134 W CA 0.027 57.144 57.345 -0.380 0.000 1.271 134 W CB -0.112 28.927 29.460 -0.703 0.000 1.114 134 W HN 0.002 nan 8.180 nan 0.000 0.559 135 W N 1.388 122.791 121.300 0.171 0.000 2.311 135 W HA 0.541 5.201 4.660 -0.000 0.000 0.317 135 W C 0.646 177.293 176.519 0.213 0.000 1.065 135 W CA -0.917 56.456 57.345 0.046 0.000 1.364 135 W CB 0.107 29.509 29.460 -0.097 0.000 1.233 135 W HN -0.271 nan 8.180 nan 0.000 0.409 136 G N 1.437 110.533 108.800 0.493 0.000 2.528 136 G HA2 0.609 4.569 3.960 -0.000 0.000 0.289 136 G HA3 0.609 4.569 3.960 -0.000 0.000 0.289 136 G C 0.454 175.574 174.900 0.367 0.000 1.192 136 G CA 0.145 45.471 45.100 0.377 0.000 0.921 136 G HN 0.949 nan 8.290 nan 0.000 0.512 137 G N -0.671 108.244 108.800 0.192 0.000 2.642 137 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.231 137 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.231 137 G C -0.182 174.742 174.900 0.039 0.000 1.338 137 G CA 0.284 45.425 45.100 0.068 0.000 0.883 137 G HN 0.909 nan 8.290 nan 0.000 0.570 138 E N 0.991 121.146 120.200 -0.074 0.000 2.220 138 E HA 0.508 4.858 4.350 -0.000 0.000 0.256 138 E C -2.408 174.058 176.600 -0.223 0.000 0.881 138 E CA -2.032 54.311 56.400 -0.096 0.000 0.766 138 E CB 2.192 31.865 29.700 -0.045 0.000 1.187 138 E HN 0.379 nan 8.360 nan 0.000 0.419 139 P HA 0.010 nan 4.420 nan 0.000 0.276 139 P C 1.139 178.041 177.300 -0.662 0.000 1.252 139 P CA -0.340 62.344 63.100 -0.694 0.000 0.802 139 P CB 1.062 32.041 31.700 -1.201 0.000 1.035 140 V N -1.522 118.059 119.914 -0.555 0.000 2.343 140 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 140 V C 2.190 178.151 176.094 -0.222 0.000 1.051 140 V CA 1.853 63.980 62.300 -0.288 0.000 1.036 140 V CB -2.404 29.295 31.823 -0.207 0.000 0.654 140 V HN 0.711 nan 8.190 nan 0.000 0.451 141 W N 1.000 122.249 121.300 -0.085 0.000 2.325 141 W HA -0.094 4.566 4.660 -0.000 0.000 0.299 141 W C 1.961 178.453 176.519 -0.046 0.000 1.215 141 W CA 1.416 58.716 57.345 -0.076 0.000 1.244 141 W CB -1.698 27.704 29.460 -0.096 0.000 1.140 141 W HN 0.105 nan 8.180 nan 0.000 0.523 142 V N 2.282 122.114 119.914 -0.137 0.000 2.343 142 V HA -0.195 3.925 4.120 -0.000 0.000 0.247 142 V C 2.639 178.719 176.094 -0.023 0.000 1.051 142 V CA 2.288 64.571 62.300 -0.028 0.000 1.036 142 V CB -1.648 30.118 31.823 -0.094 0.000 0.654 142 V HN 0.485 nan 8.190 nan 0.000 0.451 143 G N -0.210 108.552 108.800 -0.064 0.000 2.418 143 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 143 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 143 G C 1.675 176.556 174.900 -0.031 0.000 1.158 143 G CA 1.202 46.276 45.100 -0.042 0.000 0.771 143 G HN 0.370 nan 8.290 nan 0.000 0.545 144 V N 0.903 120.803 119.914 -0.023 0.000 2.255 144 V HA -0.177 3.943 4.120 -0.000 0.000 0.247 144 V C 2.833 178.919 176.094 -0.013 0.000 1.051 144 V CA 2.160 64.453 62.300 -0.012 0.000 1.018 144 V CB -0.375 31.460 31.823 0.021 0.000 0.641 144 V HN 0.354 nan 8.190 nan 0.000 0.445 145 E N 0.167 120.383 120.200 0.028 0.000 2.072 145 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 145 E C 2.014 178.614 176.600 0.001 0.000 0.985 145 E CA 0.945 57.363 56.400 0.030 0.000 0.801 145 E CB -0.518 29.238 29.700 0.094 0.000 0.750 145 E HN 0.557 nan 8.360 nan 0.000 0.452 146 N N 0.783 119.486 118.700 0.005 0.000 2.519 146 N HA -0.088 4.652 4.740 -0.000 0.000 0.186 146 N C 1.429 176.927 175.510 -0.019 0.000 1.062 146 N CA 1.296 54.345 53.050 -0.003 0.000 0.910 146 N CB -0.243 38.244 38.487 0.001 0.000 0.958 146 N HN 0.253 nan 8.380 nan 0.000 0.445 147 T N -3.718 110.815 114.554 -0.034 0.000 3.163 147 T HA 0.341 4.691 4.350 -0.000 0.000 0.252 147 T C 1.255 175.915 174.700 -0.067 0.000 1.056 147 T CA 0.206 62.279 62.100 -0.045 0.000 0.947 147 T CB 0.090 68.929 68.868 -0.047 0.000 1.016 147 T HN 0.209 nan 8.240 nan 0.000 0.554 148 G N 0.848 109.599 108.800 -0.081 0.000 2.153 148 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.252 148 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.252 148 G C -0.174 174.571 174.900 -0.258 0.000 0.994 148 G CA 0.349 45.373 45.100 -0.127 0.000 0.698 148 G HN 0.650 nan 8.290 nan 0.000 0.521 149 Q N -0.927 118.717 119.800 -0.260 0.000 2.385 149 Q HA 0.668 5.008 4.340 -0.000 0.000 0.262 149 Q C -0.411 175.340 176.000 -0.414 0.000 1.050 149 Q CA -0.964 54.628 55.803 -0.351 0.000 0.903 149 Q CB 1.203 29.855 28.738 -0.144 0.000 1.325 149 Q HN 0.489 nan 8.270 nan 0.000 0.485 150 H N -0.582 118.493 119.070 0.008 0.000 2.538 150 H HA 0.605 5.161 4.556 -0.000 0.000 0.353 150 H C -1.167 174.158 175.328 -0.004 0.000 1.109 150 H CA -0.614 55.432 56.048 -0.002 0.000 1.192 150 H CB 1.713 31.462 29.762 -0.020 0.000 1.555 150 H HN 0.694 nan 8.280 nan 0.000 0.518 151 A N 1.730 124.627 122.820 0.128 0.000 2.325 151 A HA 0.768 5.088 4.320 -0.000 0.000 0.333 151 A C -0.508 177.036 177.584 -0.067 0.000 1.155 151 A CA -0.475 51.599 52.037 0.062 0.000 0.814 151 A CB 0.874 19.957 19.000 0.138 0.000 1.206 151 A HN 0.754 nan 8.150 nan 0.000 0.482 152 A N 1.783 124.519 122.820 -0.140 0.000 2.375 152 A HA 0.687 5.006 4.320 -0.000 0.000 0.291 152 A C -0.150 177.256 177.584 -0.297 0.000 1.160 152 A CA -0.072 51.700 52.037 -0.441 0.000 0.747 152 A CB 0.504 19.145 19.000 -0.598 0.000 1.170 152 A HN 1.469 nan 8.150 nan 0.000 0.458 153 T N -0.373 113.981 114.554 -0.334 0.000 2.792 153 T HA 0.459 4.808 4.350 -0.000 0.000 0.280 153 T C -0.464 174.361 174.700 0.209 0.000 0.990 153 T CA -0.389 61.688 62.100 -0.039 0.000 0.960 153 T CB 1.094 69.792 68.868 -0.283 0.000 0.939 153 T HN 0.720 nan 8.240 nan 0.000 0.439 154 W N 5.544 127.063 121.300 0.365 0.000 2.318 154 W HA 0.328 4.987 4.660 -0.000 0.000 0.362 154 W C 0.520 177.165 176.519 0.210 0.000 0.978 154 W CA 0.076 57.637 57.345 0.360 0.000 1.509 154 W CB -0.346 29.299 29.460 0.307 0.000 1.437 154 W HN 1.295 nan 8.180 nan 0.000 0.361 155 S N 4.281 119.914 115.700 -0.111 0.000 3.697 155 S HA -0.261 4.209 4.470 -0.000 0.000 0.388 155 S C -0.459 174.034 174.600 -0.179 0.000 0.941 155 S CA 0.376 58.499 58.200 -0.129 0.000 1.247 155 S CB -2.026 61.174 63.200 -0.000 0.000 0.904 155 S HN 0.548 nan 8.310 nan 0.000 0.518 156 W N 2.040 123.142 121.300 -0.330 0.000 2.391 156 W HA 0.464 5.123 4.660 -0.000 0.000 0.311 156 W C -2.725 173.514 176.519 -0.467 0.000 1.087 156 W CA -2.473 54.675 57.345 -0.328 0.000 1.209 156 W CB 1.328 30.707 29.460 -0.135 0.000 1.273 156 W HN 0.209 nan 8.180 nan 0.000 0.482 157 P HA -0.004 nan 4.420 nan 0.000 0.247 157 P C 0.589 177.601 177.300 -0.480 0.000 1.141 157 P CA 2.157 64.781 63.100 -0.793 0.000 0.858 157 P CB -0.130 30.896 31.700 -1.122 0.000 0.804 158 G N 2.608 110.874 108.800 -0.890 0.000 2.336 158 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.194 158 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.194 158 G C 1.085 175.574 174.900 -0.685 0.000 0.999 158 G CA 0.256 44.524 45.100 -1.386 0.000 0.669 158 G HN 0.522 nan 8.290 nan 0.000 0.482 159 S N 0.185 115.491 115.700 -0.657 0.000 2.607 159 S HA 0.209 4.679 4.470 -0.000 0.000 0.224 159 S C 1.186 175.328 174.600 -0.763 0.000 0.969 159 S CA 1.255 58.912 58.200 -0.906 0.000 0.927 159 S CB 0.016 62.605 63.200 -1.018 0.000 0.772 159 S HN 0.565 nan 8.310 nan 0.000 0.533 160 E N 0.838 120.668 120.200 -0.618 0.000 2.444 160 E HA 0.448 4.798 4.350 -0.000 0.000 0.191 160 E C 0.311 176.565 176.600 -0.578 0.000 1.041 160 E CA -0.076 55.933 56.400 -0.651 0.000 0.883 160 E CB 0.687 30.191 29.700 -0.327 0.000 1.024 160 E HN 0.651 nan 8.360 nan 0.000 0.470 161 A N 0.882 123.393 122.820 -0.516 0.000 2.384 161 A HA 0.717 5.037 4.320 -0.000 0.000 0.312 161 A C -0.383 177.030 177.584 -0.284 0.000 1.113 161 A CA -0.665 51.191 52.037 -0.302 0.000 0.779 161 A CB 1.239 20.153 19.000 -0.143 0.000 1.307 161 A HN 0.128 nan 8.150 nan 0.000 0.436 162 A N 2.053 124.782 122.820 -0.152 0.000 3.004 162 A HA 0.504 4.823 4.320 -0.000 0.000 0.286 162 A C 0.073 177.666 177.584 0.015 0.000 1.632 162 A CA -0.200 51.789 52.037 -0.080 0.000 1.339 162 A CB -1.264 17.709 19.000 -0.045 0.000 1.136 162 A HN 0.636 nan 8.150 nan 0.000 0.577 163 I N 1.080 121.677 120.570 0.045 0.000 2.598 163 I HA -0.013 4.157 4.170 -0.000 0.000 0.284 163 I C 0.792 176.963 176.117 0.091 0.000 1.140 163 I CA 0.078 61.445 61.300 0.111 0.000 1.420 163 I CB 0.385 38.473 38.000 0.147 0.000 1.387 163 I HN 0.684 nan 8.210 nan 0.000 0.553 164 K N 4.843 125.300 120.400 0.094 0.000 3.012 164 K HA -0.248 4.072 4.320 -0.000 0.000 0.259 164 K C 0.904 177.534 176.600 0.050 0.000 0.989 164 K CA 0.605 56.932 56.287 0.066 0.000 0.728 164 K CB -1.511 31.021 32.500 0.055 0.000 1.260 164 K HN 1.190 nan 8.250 nan 0.000 0.480 165 G N -1.440 107.389 108.800 0.048 0.000 2.162 165 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.260 165 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.260 165 G C 0.023 174.942 174.900 0.033 0.000 0.976 165 G CA 0.223 45.345 45.100 0.036 0.000 0.655 165 G HN 1.002 nan 8.290 nan 0.000 0.533 166 V N -2.817 117.121 119.914 0.040 0.000 2.709 166 V HA 0.924 5.044 4.120 -0.000 0.000 0.308 166 V C -0.130 175.986 176.094 0.037 0.000 1.062 166 V CA -1.536 60.792 62.300 0.047 0.000 0.901 166 V CB 1.635 33.498 31.823 0.066 0.000 1.003 166 V HN 0.383 nan 8.190 nan 0.000 0.425 167 R N 3.610 124.104 120.500 -0.010 0.000 2.787 167 R HA 0.679 5.018 4.340 -0.000 0.000 0.271 167 R C -2.719 173.562 176.300 -0.031 0.000 0.993 167 R CA -2.022 53.994 56.100 -0.140 0.000 0.993 167 R CB 1.896 32.016 30.300 -0.300 0.000 1.155 167 R HN 0.533 nan 8.270 nan 0.000 0.486 168 P HA 0.079 nan 4.420 nan 0.000 0.272 168 P C 0.003 177.372 177.300 0.115 0.000 1.230 168 P CA -0.046 63.041 63.100 -0.023 0.000 0.788 168 P CB 0.709 32.269 31.700 -0.233 0.000 0.949 169 S N -0.413 115.316 115.700 0.048 0.000 2.359 169 S HA -0.125 4.345 4.470 -0.000 0.000 0.224 169 S C 0.693 175.199 174.600 -0.156 0.000 1.035 169 S CA 1.343 59.517 58.200 -0.045 0.000 1.018 169 S CB -0.292 62.816 63.200 -0.152 0.000 0.876 169 S HN 0.538 nan 8.310 nan 0.000 0.448 170 Q N 0.688 120.310 119.800 -0.296 0.000 2.333 170 Q HA 0.381 4.721 4.340 -0.000 0.000 0.268 170 Q C -0.717 175.038 176.000 -0.408 0.000 1.007 170 Q CA -0.343 55.129 55.803 -0.553 0.000 0.810 170 Q CB 1.743 29.799 28.738 -1.137 0.000 1.264 170 Q HN 0.608 nan 8.270 nan 0.000 0.452 171 W N 1.961 123.015 121.300 -0.410 0.000 2.988 171 W HA 0.698 5.358 4.660 -0.000 0.000 0.355 171 W C -1.052 175.292 176.519 -0.291 0.000 1.233 171 W CA -0.844 56.277 57.345 -0.374 0.000 1.176 171 W CB 1.114 30.326 29.460 -0.413 0.000 1.477 171 W HN 0.620 nan 8.180 nan 0.000 0.582 172 R N 0.149 120.652 120.500 0.005 0.000 2.766 172 R HA 0.431 4.771 4.340 -0.000 0.000 0.270 172 R C -1.273 175.004 176.300 -0.040 0.000 1.035 172 R CA -0.837 55.177 56.100 -0.143 0.000 0.911 172 R CB 1.772 31.909 30.300 -0.273 0.000 1.243 172 R HN 0.570 nan 8.270 nan 0.000 0.460 173 H N 0.633 119.748 119.070 0.076 0.000 2.548 173 H HA 0.126 4.682 4.556 -0.000 0.000 0.331 173 H C -0.699 174.618 175.328 -0.018 0.000 1.093 173 H CA -0.244 55.843 56.048 0.065 0.000 1.367 173 H CB 0.973 30.773 29.762 0.063 0.000 1.455 173 H HN 0.476 nan 8.280 nan 0.000 0.519 174 Y N 3.154 123.450 120.300 -0.006 0.000 2.578 174 Y HA -0.003 4.547 4.550 -0.000 0.000 0.339 174 Y C 0.236 176.129 175.900 -0.012 0.000 1.231 174 Y CA 0.150 58.211 58.100 -0.065 0.000 1.461 174 Y CB 0.547 38.975 38.460 -0.052 0.000 1.323 174 Y HN 0.612 nan 8.280 nan 0.000 0.590 175 Q N 4.456 123.765 119.800 -0.818 0.000 2.353 175 Q HA 0.352 4.691 4.340 -0.000 0.000 0.275 175 Q C -1.530 174.016 176.000 -0.756 0.000 1.029 175 Q CA -1.361 54.073 55.803 -0.615 0.000 0.848 175 Q CB 1.606 30.200 28.738 -0.240 0.000 1.390 175 Q HN 0.466 nan 8.270 nan 0.000 0.401 176 K N 0.491 120.655 120.400 -0.392 0.000 2.440 176 K HA 0.172 4.491 4.320 -0.000 0.000 0.270 176 K C 0.994 177.541 176.600 -0.088 0.000 0.980 176 K CA 1.373 57.566 56.287 -0.156 0.000 0.953 176 K CB 0.075 32.568 32.500 -0.013 0.000 0.925 176 K HN 1.084 nan 8.250 nan 0.000 0.497 177 G N -0.053 108.741 108.800 -0.011 0.000 2.148 177 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.254 177 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.254 177 G C 0.130 175.076 174.900 0.077 0.000 0.981 177 G CA 0.193 45.316 45.100 0.038 0.000 0.670 177 G HN 0.350 nan 8.290 nan 0.000 0.528 178 V N 1.168 121.145 119.914 0.105 0.000 2.637 178 V HA 0.274 4.394 4.120 -0.000 0.000 0.296 178 V C 1.483 177.693 176.094 0.194 0.000 1.046 178 V CA -0.139 62.260 62.300 0.166 0.000 1.066 178 V CB 0.867 32.866 31.823 0.294 0.000 0.968 178 V HN 0.460 nan 8.190 nan 0.000 0.483 179 R N 3.087 123.663 120.500 0.127 0.000 2.694 179 R HA 0.228 4.568 4.340 -0.000 0.000 0.268 179 R C 1.205 177.538 176.300 0.055 0.000 1.061 179 R CA -0.451 55.704 56.100 0.092 0.000 1.133 179 R CB 0.367 30.691 30.300 0.039 0.000 1.020 179 R HN 0.588 nan 8.270 nan 0.000 0.475 180 L N 0.985 122.218 121.223 0.017 0.000 2.017 180 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 180 L C 1.504 178.335 176.870 -0.064 0.000 1.073 180 L CA 1.273 56.100 54.840 -0.021 0.000 0.745 180 L CB -0.289 41.709 42.059 -0.102 0.000 0.894 180 L HN 0.641 nan 8.230 nan 0.000 0.432 181 D N -0.729 119.631 120.400 -0.068 0.000 2.269 181 D HA -0.109 4.531 4.640 -0.000 0.000 0.208 181 D C 2.137 178.362 176.300 -0.126 0.000 0.963 181 D CA 1.255 55.202 54.000 -0.088 0.000 0.864 181 D CB 0.081 40.842 40.800 -0.066 0.000 0.936 181 D HN 0.307 nan 8.370 nan 0.000 0.505 182 T N 1.173 115.657 114.554 -0.117 0.000 2.737 182 T HA -0.152 4.198 4.350 -0.000 0.000 0.265 182 T C 1.991 176.506 174.700 -0.307 0.000 1.038 182 T CA 1.162 63.185 62.100 -0.128 0.000 1.144 182 T CB 0.015 68.869 68.868 -0.022 0.000 0.866 182 T HN 0.358 nan 8.240 nan 0.000 0.434 183 R N 0.991 121.185 120.500 -0.510 0.000 2.090 183 R HA 0.063 4.403 4.340 -0.000 0.000 0.228 183 R C 2.217 178.014 176.300 -0.838 0.000 1.110 183 R CA 0.867 56.256 56.100 -1.184 0.000 0.973 183 R CB -0.990 28.355 30.300 -1.592 0.000 0.869 183 R HN 0.195 nan 8.270 nan 0.000 0.440 184 V N 2.515 122.150 119.914 -0.465 0.000 2.295 184 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 184 V C 1.684 177.609 176.094 -0.282 0.000 1.049 184 V CA 2.249 64.375 62.300 -0.290 0.000 1.024 184 V CB -0.603 31.135 31.823 -0.141 0.000 0.648 184 V HN 0.293 nan 8.190 nan 0.000 0.447 185 D N 0.223 120.469 120.400 -0.258 0.000 2.158 185 D HA -0.172 4.468 4.640 -0.000 0.000 0.197 185 D C 2.142 178.252 176.300 -0.317 0.000 0.995 185 D CA 1.748 55.614 54.000 -0.224 0.000 0.846 185 D CB -0.273 40.425 40.800 -0.171 0.000 0.941 185 D HN 0.464 nan 8.370 nan 0.000 0.456 186 A N -0.022 122.513 122.820 -0.475 0.000 1.897 186 A HA -0.066 4.254 4.320 -0.000 0.000 0.215 186 A C 2.494 179.396 177.584 -1.136 0.000 1.181 186 A CA 0.926 52.513 52.037 -0.749 0.000 0.620 186 A CB -0.550 18.036 19.000 -0.690 0.000 0.821 186 A HN 0.142 nan 8.150 nan 0.000 0.443 187 V N -0.026 119.415 119.914 -0.789 0.000 2.307 187 V HA -0.216 3.903 4.120 -0.000 0.000 0.245 187 V C 2.609 178.608 176.094 -0.159 0.000 1.045 187 V CA 2.151 64.219 62.300 -0.387 0.000 1.024 187 V CB -0.774 30.930 31.823 -0.198 0.000 0.651 187 V HN 0.642 nan 8.190 nan 0.000 0.449 188 R N 0.244 120.635 120.500 -0.182 0.000 2.103 188 R HA -0.189 4.150 4.340 -0.000 0.000 0.242 188 R C 2.304 178.568 176.300 -0.059 0.000 1.142 188 R CA 1.981 58.027 56.100 -0.091 0.000 0.960 188 R CB -0.778 29.460 30.300 -0.102 0.000 0.858 188 R HN 0.558 nan 8.270 nan 0.000 0.439 189 G N -0.229 108.493 108.800 -0.129 0.000 2.422 189 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 189 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 189 G C 0.800 175.772 174.900 0.121 0.000 1.146 189 G CA 0.529 45.601 45.100 -0.046 0.000 0.769 189 G HN 0.359 nan 8.290 nan 0.000 0.547 190 W N 0.612 121.927 121.300 0.026 0.000 2.436 190 W HA 0.211 4.871 4.660 -0.000 0.000 0.284 190 W C 2.348 178.888 176.519 0.034 0.000 1.225 190 W CA 0.052 57.417 57.345 0.033 0.000 1.271 190 W CB -0.908 28.584 29.460 0.053 0.000 1.114 190 W HN 0.172 nan 8.180 nan 0.000 0.559 191 L N -0.082 121.285 121.223 0.240 0.000 2.240 191 L HA -0.019 4.320 4.340 -0.000 0.000 0.211 191 L C 2.420 179.355 176.870 0.108 0.000 1.106 191 L CA 1.132 56.062 54.840 0.150 0.000 0.793 191 L CB -0.821 41.299 42.059 0.102 0.000 0.927 191 L HN -0.151 nan 8.230 nan 0.000 0.446 192 A N -0.616 122.263 122.820 0.098 0.000 2.178 192 A HA 0.032 4.352 4.320 -0.000 0.000 0.211 192 A C 1.310 178.940 177.584 0.077 0.000 1.157 192 A CA 0.520 52.599 52.037 0.069 0.000 0.780 192 A CB -0.636 18.391 19.000 0.045 0.000 0.828 192 A HN 0.408 nan 8.150 nan 0.000 0.476 193 T N 0.527 115.145 114.554 0.106 0.000 2.937 193 T HA 0.359 4.709 4.350 -0.000 0.000 0.316 193 T C -0.254 174.490 174.700 0.073 0.000 1.079 193 T CA 0.270 62.425 62.100 0.091 0.000 1.131 193 T CB 0.538 69.468 68.868 0.103 0.000 1.000 193 T HN 0.496 nan 8.240 nan 0.000 0.549 194 D N -0.064 120.371 120.400 0.059 0.000 2.636 194 D HA 0.626 5.266 4.640 -0.000 0.000 0.275 194 D C 0.757 177.087 176.300 0.050 0.000 1.130 194 D CA 0.048 54.080 54.000 0.053 0.000 1.031 194 D CB 0.929 41.755 40.800 0.043 0.000 1.451 194 D HN 1.151 nan 8.370 nan 0.000 0.505 195 G N -0.234 108.595 108.800 0.047 0.000 2.552 195 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.265 195 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.265 195 G C 0.985 175.924 174.900 0.065 0.000 1.234 195 G CA 1.525 46.653 45.100 0.046 0.000 0.944 195 G HN 1.331 nan 8.290 nan 0.000 0.568 196 A N -1.204 121.657 122.820 0.068 0.000 2.015 196 A HA 0.163 4.483 4.320 -0.000 0.000 0.219 196 A C 1.958 179.649 177.584 0.178 0.000 1.163 196 A CA 2.340 54.444 52.037 0.113 0.000 0.646 196 A CB -0.272 18.784 19.000 0.094 0.000 0.806 196 A HN 0.851 nan 8.150 nan 0.000 0.448 197 Q N -0.010 119.833 119.800 0.071 0.000 2.297 197 Q HA 0.209 4.549 4.340 -0.000 0.000 0.265 197 Q C 0.338 176.379 176.000 0.069 0.000 0.904 197 Q CA -0.015 55.773 55.803 -0.024 0.000 0.969 197 Q CB -0.186 28.502 28.738 -0.082 0.000 1.115 197 Q HN 0.568 nan 8.270 nan 0.000 0.433 198 R N 1.181 121.783 120.500 0.170 0.000 2.390 198 R HA 0.204 4.544 4.340 -0.000 0.000 0.291 198 R C -0.849 175.553 176.300 0.170 0.000 1.070 198 R CA -0.335 55.848 56.100 0.137 0.000 1.014 198 R CB 0.629 30.993 30.300 0.107 0.000 1.007 198 R HN 0.128 nan 8.270 nan 0.000 0.466 199 N N 3.602 122.376 118.700 0.124 0.000 2.485 199 N HA 0.077 4.817 4.740 -0.000 0.000 0.243 199 N C 0.354 175.919 175.510 0.092 0.000 0.987 199 N CA -0.279 52.840 53.050 0.115 0.000 0.940 199 N CB 1.764 40.305 38.487 0.091 0.000 1.122 199 N HN 0.545 nan 8.380 nan 0.000 0.509 200 R N 1.708 122.251 120.500 0.072 0.000 2.092 200 R HA 0.072 4.412 4.340 -0.000 0.000 0.231 200 R C 0.022 176.355 176.300 0.055 0.000 1.119 200 R CA 1.139 57.270 56.100 0.050 0.000 0.970 200 R CB -0.135 30.175 30.300 0.018 0.000 0.864 200 R HN 0.526 nan 8.270 nan 0.000 0.440 201 L N 0.108 121.367 121.223 0.061 0.000 2.362 201 L HA 0.542 4.882 4.340 -0.000 0.000 0.275 201 L C -1.554 175.367 176.870 0.085 0.000 0.998 201 L CA -0.783 54.095 54.840 0.064 0.000 0.820 201 L CB 2.409 44.503 42.059 0.058 0.000 1.270 201 L HN -0.178 nan 8.230 nan 0.000 0.415 202 V N 3.236 123.218 119.914 0.114 0.000 2.525 202 V HA 0.607 4.727 4.120 -0.000 0.000 0.299 202 V C -0.195 176.020 176.094 0.201 0.000 1.034 202 V CA -0.299 62.114 62.300 0.189 0.000 0.863 202 V CB 2.048 34.021 31.823 0.251 0.000 0.999 202 V HN 0.886 nan 8.190 nan 0.000 0.423 203 T N 3.056 117.762 114.554 0.254 0.000 2.855 203 T HA 0.848 5.198 4.350 -0.000 0.000 0.281 203 T C -1.002 173.961 174.700 0.438 0.000 1.007 203 T CA -0.698 61.585 62.100 0.304 0.000 1.009 203 T CB 1.864 70.893 68.868 0.268 0.000 0.983 203 T HN 0.500 nan 8.240 nan 0.000 0.455 204 L N 2.955 124.423 121.223 0.408 0.000 2.410 204 L HA 0.737 5.077 4.340 -0.000 0.000 0.270 204 L C -1.745 175.277 176.870 0.253 0.000 0.983 204 L CA -1.022 53.959 54.840 0.234 0.000 0.822 204 L CB 1.987 44.042 42.059 -0.006 0.000 1.285 204 L HN 0.886 nan 8.230 nan 0.000 0.409 205 Y N 4.409 124.713 120.300 0.008 0.000 2.425 205 Y HA 0.735 5.285 4.550 -0.000 0.000 0.344 205 Y C -1.807 173.956 175.900 -0.229 0.000 0.969 205 Y CA -0.862 57.229 58.100 -0.015 0.000 1.052 205 Y CB 1.551 40.042 38.460 0.052 0.000 1.215 205 Y HN 0.522 nan 8.280 nan 0.000 0.451 206 F N 4.991 124.661 119.950 -0.467 0.000 2.482 206 F HA 0.308 4.835 4.527 -0.000 0.000 0.331 206 F C 0.912 176.334 175.800 -0.631 0.000 1.115 206 F CA -0.791 57.047 58.000 -0.269 0.000 0.955 206 F CB 1.786 40.720 39.000 -0.109 0.000 1.136 206 F HN 0.641 nan 8.300 nan 0.000 0.452 207 E N 1.477 121.672 120.200 -0.009 0.000 2.474 207 E HA -0.070 4.280 4.350 -0.000 0.000 0.194 207 E C 0.769 177.413 176.600 0.074 0.000 1.041 207 E CA 0.852 57.275 56.400 0.039 0.000 0.874 207 E CB -0.353 29.510 29.700 0.272 0.000 0.914 207 E HN 0.756 nan 8.360 nan 0.000 0.498 208 H N 1.064 120.186 119.070 0.086 0.000 2.387 208 H HA -0.034 4.522 4.556 -0.000 0.000 0.299 208 H C 2.162 177.508 175.328 0.030 0.000 1.090 208 H CA 1.645 57.735 56.048 0.070 0.000 1.332 208 H CB -0.142 29.640 29.762 0.034 0.000 1.386 208 H HN -0.002 nan 8.280 nan 0.000 0.516 209 V N 0.760 120.718 119.914 0.073 0.000 2.323 209 V HA -0.228 3.892 4.120 -0.000 0.000 0.244 209 V C 2.359 178.520 176.094 0.111 0.000 1.041 209 V CA 2.033 64.290 62.300 -0.072 0.000 1.025 209 V CB -0.393 31.295 31.823 -0.225 0.000 0.656 209 V HN 0.592 nan 8.190 nan 0.000 0.451 210 D N 0.120 120.619 120.400 0.164 0.000 2.123 210 D HA -0.236 4.404 4.640 -0.000 0.000 0.196 210 D C 1.976 178.498 176.300 0.369 0.000 0.992 210 D CA 1.708 55.875 54.000 0.278 0.000 0.833 210 D CB 0.092 41.067 40.800 0.292 0.000 0.954 210 D HN 0.617 nan 8.370 nan 0.000 0.455 211 E N 0.335 120.717 120.200 0.303 0.000 2.051 211 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 211 E C 2.269 179.035 176.600 0.276 0.000 0.991 211 E CA 0.955 57.529 56.400 0.290 0.000 0.799 211 E CB -0.153 29.650 29.700 0.172 0.000 0.748 211 E HN 0.337 nan 8.360 nan 0.000 0.449 212 A N 1.252 124.224 122.820 0.252 0.000 1.972 212 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 212 A C 2.385 180.175 177.584 0.344 0.000 1.169 212 A CA 1.694 53.902 52.037 0.284 0.000 0.635 212 A CB -1.008 18.129 19.000 0.229 0.000 0.810 212 A HN 0.359 nan 8.150 nan 0.000 0.446 213 G N -1.472 107.561 108.800 0.388 0.000 2.402 213 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 213 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 213 G C 1.503 176.418 174.900 0.026 0.000 1.162 213 G CA 0.967 46.187 45.100 0.199 0.000 0.777 213 G HN 0.672 nan 8.290 nan 0.000 0.539 214 H N 0.935 120.084 119.070 0.132 0.000 2.353 214 H HA -0.054 4.502 4.556 -0.000 0.000 0.300 214 H C 2.110 177.423 175.328 -0.024 0.000 1.090 214 H CA 1.512 57.590 56.048 0.050 0.000 1.327 214 H CB 0.031 29.826 29.762 0.055 0.000 1.383 214 H HN 0.268 nan 8.280 nan 0.000 0.508 215 D N -0.369 120.092 120.400 0.101 0.000 2.183 215 D HA -0.077 4.563 4.640 -0.000 0.000 0.203 215 D C 1.356 177.353 176.300 -0.504 0.000 0.969 215 D CA 1.158 55.059 54.000 -0.165 0.000 0.842 215 D CB 0.085 40.839 40.800 -0.077 0.000 0.957 215 D HN 0.565 nan 8.370 nan 0.000 0.484 216 H N -1.613 117.495 119.070 0.062 0.000 3.540 216 H HA 0.374 4.930 4.556 -0.000 0.000 0.259 216 H C 0.958 176.277 175.328 -0.016 0.000 1.197 216 H CA 0.534 56.598 56.048 0.027 0.000 1.136 216 H CB 1.481 31.271 29.762 0.048 0.000 1.605 216 H HN 0.097 nan 8.280 nan 0.000 0.657 217 G N 2.360 111.172 108.800 0.021 0.000 2.730 217 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.686 217 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.686 217 G C -2.040 172.714 174.900 -0.242 0.000 1.343 217 G CA -0.297 44.744 45.100 -0.099 0.000 0.826 217 G HN 0.014 nan 8.290 nan 0.000 0.582 218 P HA 0.099 nan 4.420 nan 0.000 0.236 218 P C 0.740 177.818 177.300 -0.369 0.000 1.177 218 P CA 0.982 63.512 63.100 -0.951 0.000 0.773 218 P CB 0.342 31.617 31.700 -0.708 0.000 0.878 219 E N 0.285 120.392 120.200 -0.156 0.000 2.419 219 E HA 0.097 4.447 4.350 -0.000 0.000 0.190 219 E C 0.683 177.292 176.600 0.015 0.000 1.040 219 E CA 0.099 56.476 56.400 -0.037 0.000 0.900 219 E CB 0.091 29.767 29.700 -0.040 0.000 1.054 219 E HN 0.323 nan 8.360 nan 0.000 0.462 220 S N -0.076 115.654 115.700 0.050 0.000 2.687 220 S HA 0.393 4.863 4.470 -0.000 0.000 0.283 220 S C 1.039 175.692 174.600 0.087 0.000 1.170 220 S CA -0.809 57.432 58.200 0.069 0.000 1.008 220 S CB 2.723 65.982 63.200 0.098 0.000 1.026 220 S HN -0.037 nan 8.310 nan 0.000 0.541 221 R N 0.909 121.427 120.500 0.030 0.000 2.091 221 R HA -0.121 4.218 4.340 -0.000 0.000 0.238 221 R C 2.019 178.329 176.300 0.018 0.000 1.136 221 R CA 2.042 58.149 56.100 0.011 0.000 0.959 221 R CB -1.160 29.124 30.300 -0.026 0.000 0.856 221 R HN 0.795 nan 8.270 nan 0.000 0.437 222 Q N -1.119 118.683 119.800 0.004 0.000 2.020 222 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 222 Q C 1.865 177.929 176.000 0.108 0.000 0.982 222 Q CA 2.006 57.822 55.803 0.023 0.000 0.838 222 Q CB -0.659 28.069 28.738 -0.017 0.000 0.899 222 Q HN 0.460 nan 8.270 nan 0.000 0.423 223 Y N 0.599 120.922 120.300 0.039 0.000 2.151 223 Y HA -0.322 4.228 4.550 -0.000 0.000 0.284 223 Y C 2.101 178.010 175.900 0.015 0.000 1.166 223 Y CA 1.733 59.858 58.100 0.041 0.000 1.163 223 Y CB -0.474 38.011 38.460 0.043 0.000 0.974 223 Y HN 0.136 nan 8.280 nan 0.000 0.511 224 A N -0.309 122.561 122.820 0.083 0.000 1.897 224 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 224 A C 1.937 179.481 177.584 -0.067 0.000 1.181 224 A CA 1.695 53.730 52.037 -0.005 0.000 0.620 224 A CB -0.748 18.281 19.000 0.048 0.000 0.821 224 A HN 0.495 nan 8.150 nan 0.000 0.443 225 D N 0.412 120.787 120.400 -0.042 0.000 2.123 225 D HA -0.098 4.542 4.640 -0.000 0.000 0.196 225 D C 2.199 178.448 176.300 -0.086 0.000 0.992 225 D CA 1.628 55.595 54.000 -0.054 0.000 0.833 225 D CB -0.462 40.319 40.800 -0.031 0.000 0.954 225 D HN 0.419 nan 8.370 nan 0.000 0.455 226 A N 0.551 123.317 122.820 -0.090 0.000 1.902 226 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 226 A C 2.535 179.998 177.584 -0.201 0.000 1.181 226 A CA 1.198 53.170 52.037 -0.109 0.000 0.623 226 A CB -0.742 18.222 19.000 -0.061 0.000 0.818 226 A HN 0.149 nan 8.150 nan 0.000 0.443 227 V N 0.138 119.888 119.914 -0.273 0.000 2.332 227 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 227 V C 2.665 178.631 176.094 -0.213 0.000 1.055 227 V CA 2.335 64.470 62.300 -0.275 0.000 1.038 227 V CB -0.821 30.836 31.823 -0.275 0.000 0.651 227 V HN 0.539 nan 8.190 nan 0.000 0.450 228 R N -0.022 120.378 120.500 -0.166 0.000 2.075 228 R HA -0.056 4.284 4.340 -0.000 0.000 0.232 228 R C 2.454 178.655 176.300 -0.165 0.000 1.126 228 R CA 1.374 57.390 56.100 -0.139 0.000 0.963 228 R CB -0.572 29.669 30.300 -0.098 0.000 0.858 228 R HN 0.533 nan 8.270 nan 0.000 0.435 229 A N 0.846 123.560 122.820 -0.177 0.000 1.877 229 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 229 A C 2.376 179.771 177.584 -0.316 0.000 1.186 229 A CA 1.331 53.245 52.037 -0.204 0.000 0.620 229 A CB -0.599 18.293 19.000 -0.179 0.000 0.822 229 A HN 0.100 nan 8.150 nan 0.000 0.443 230 V N 0.641 120.312 119.914 -0.406 0.000 2.343 230 V HA -0.297 3.822 4.120 -0.000 0.000 0.247 230 V C 2.332 178.076 176.094 -0.582 0.000 1.051 230 V CA 2.591 64.479 62.300 -0.687 0.000 1.036 230 V CB -0.903 30.513 31.823 -0.678 0.000 0.654 230 V HN 0.799 nan 8.190 nan 0.000 0.451 231 D N 0.230 120.418 120.400 -0.355 0.000 2.104 231 D HA -0.188 4.452 4.640 -0.000 0.000 0.194 231 D C 2.065 178.246 176.300 -0.198 0.000 0.994 231 D CA 1.672 55.528 54.000 -0.240 0.000 0.830 231 D CB -0.161 40.542 40.800 -0.162 0.000 0.959 231 D HN 0.393 nan 8.370 nan 0.000 0.452 232 A N 0.245 122.952 122.820 -0.188 0.000 1.929 232 A HA 0.149 4.468 4.320 -0.000 0.000 0.216 232 A C 2.362 179.860 177.584 -0.144 0.000 1.176 232 A CA 1.719 53.671 52.037 -0.141 0.000 0.628 232 A CB -0.974 17.953 19.000 -0.122 0.000 0.816 232 A HN 0.345 nan 8.150 nan 0.000 0.444 233 A N 0.123 122.821 122.820 -0.203 0.000 1.940 233 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 233 A C 2.061 179.586 177.584 -0.098 0.000 1.176 233 A CA 1.603 53.543 52.037 -0.161 0.000 0.631 233 A CB -0.604 18.264 19.000 -0.220 0.000 0.814 233 A HN 0.503 nan 8.150 nan 0.000 0.446 234 I N -0.504 119.975 120.570 -0.152 0.000 2.394 234 I HA -0.153 4.017 4.170 -0.000 0.000 0.251 234 I C 2.573 178.668 176.117 -0.037 0.000 1.136 234 I CA 0.910 62.181 61.300 -0.049 0.000 1.425 234 I CB -0.386 37.573 38.000 -0.068 0.000 1.079 234 I HN 0.402 nan 8.210 nan 0.000 0.425 235 G N 0.541 109.305 108.800 -0.060 0.000 2.403 235 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.216 235 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.216 235 G C 1.798 176.677 174.900 -0.036 0.000 1.154 235 G CA 0.158 45.234 45.100 -0.040 0.000 0.784 235 G HN 0.241 nan 8.290 nan 0.000 0.538 236 R N -0.571 119.900 120.500 -0.048 0.000 2.083 236 R HA -0.053 4.287 4.340 -0.000 0.000 0.237 236 R C 2.447 178.725 176.300 -0.036 0.000 1.137 236 R CA 1.185 57.258 56.100 -0.045 0.000 0.951 236 R CB -0.661 29.605 30.300 -0.055 0.000 0.851 236 R HN 0.359 nan 8.270 nan 0.000 0.434 237 L N 1.475 122.681 121.223 -0.028 0.000 1.990 237 L HA -0.204 4.136 4.340 -0.000 0.000 0.213 237 L C 2.017 178.878 176.870 -0.016 0.000 1.072 237 L CA 1.764 56.592 54.840 -0.021 0.000 0.755 237 L CB -0.642 41.419 42.059 0.005 0.000 0.889 237 L HN 0.152 nan 8.230 nan 0.000 0.432 238 L N -0.948 120.270 121.223 -0.009 0.000 2.056 238 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 238 L C 2.673 179.539 176.870 -0.007 0.000 1.078 238 L CA 1.098 55.936 54.840 -0.004 0.000 0.749 238 L CB -1.004 41.057 42.059 0.003 0.000 0.901 238 L HN 0.378 nan 8.230 nan 0.000 0.433 239 A N 0.598 123.410 122.820 -0.013 0.000 1.883 239 A HA -0.169 4.150 4.320 -0.000 0.000 0.217 239 A C 2.399 179.973 177.584 -0.018 0.000 1.186 239 A CA 1.938 53.965 52.037 -0.015 0.000 0.624 239 A CB -1.358 17.628 19.000 -0.022 0.000 0.822 239 A HN 0.445 nan 8.150 nan 0.000 0.444 240 G N -1.083 107.703 108.800 -0.023 0.000 2.443 240 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.219 240 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.219 240 G C 1.560 176.448 174.900 -0.019 0.000 1.131 240 G CA 1.078 46.163 45.100 -0.026 0.000 0.775 240 G HN 0.486 nan 8.290 nan 0.000 0.547 241 M N -0.409 119.182 119.600 -0.015 0.000 2.319 241 M HA 0.034 4.514 4.480 -0.000 0.000 0.265 241 M C 2.486 178.781 176.300 -0.008 0.000 1.068 241 M CA 0.991 56.285 55.300 -0.008 0.000 1.118 241 M CB 0.065 32.662 32.600 -0.005 0.000 1.395 241 M HN 0.208 nan 8.290 nan 0.000 0.435 242 Q N 0.856 120.650 119.800 -0.009 0.000 2.049 242 Q HA -0.065 4.275 4.340 -0.000 0.000 0.198 242 Q C 1.902 177.897 176.000 -0.008 0.000 0.971 242 Q CA 1.771 57.569 55.803 -0.008 0.000 0.833 242 Q CB -0.012 28.722 28.738 -0.007 0.000 0.896 242 Q HN 0.337 nan 8.270 nan 0.000 0.434 243 R N 0.158 120.653 120.500 -0.009 0.000 2.105 243 R HA -0.123 4.217 4.340 -0.000 0.000 0.239 243 R C 1.247 177.543 176.300 -0.006 0.000 1.135 243 R CA 1.413 57.508 56.100 -0.009 0.000 0.967 243 R CB -0.177 30.116 30.300 -0.013 0.000 0.861 243 R HN 0.359 nan 8.270 nan 0.000 0.442 244 D N -1.096 119.301 120.400 -0.006 0.000 2.363 244 D HA 0.032 4.672 4.640 -0.000 0.000 0.220 244 D C 1.249 177.550 176.300 0.003 0.000 0.994 244 D CA 1.047 55.046 54.000 -0.001 0.000 0.890 244 D CB 0.293 41.094 40.800 0.001 0.000 0.906 244 D HN 0.451 nan 8.370 nan 0.000 0.530 245 G N 0.595 109.395 108.800 -0.000 0.000 2.184 245 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.264 245 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.264 245 G C 1.366 176.266 174.900 -0.001 0.000 0.975 245 G CA 1.282 46.382 45.100 -0.000 0.000 0.642 245 G HN 0.436 nan 8.290 nan 0.000 0.536 246 T N -1.426 113.128 114.554 0.001 0.000 2.904 246 T HA 0.030 4.380 4.350 -0.000 0.000 0.267 246 T C 2.082 176.772 174.700 -0.017 0.000 1.059 246 T CA 1.516 63.617 62.100 0.002 0.000 1.137 246 T CB -0.090 68.787 68.868 0.015 0.000 0.879 246 T HN 0.462 nan 8.240 nan 0.000 0.467 247 R N 2.670 123.159 120.500 -0.019 0.000 2.119 247 R HA 0.007 4.347 4.340 -0.000 0.000 0.246 247 R C 2.337 178.602 176.300 -0.058 0.000 1.146 247 R CA 1.942 58.025 56.100 -0.029 0.000 0.962 247 R CB -1.183 29.104 30.300 -0.021 0.000 0.863 247 R HN 0.499 nan 8.270 nan 0.000 0.442 248 A N 0.181 122.962 122.820 -0.066 0.000 2.169 248 A HA 0.007 4.327 4.320 -0.000 0.000 0.212 248 A C 1.346 178.811 177.584 -0.197 0.000 1.153 248 A CA 0.908 52.887 52.037 -0.097 0.000 0.756 248 A CB -0.179 18.785 19.000 -0.060 0.000 0.813 248 A HN 0.450 nan 8.150 nan 0.000 0.471 249 R N -0.716 119.663 120.500 -0.202 0.000 2.552 249 R HA 0.271 4.611 4.340 -0.000 0.000 0.314 249 R C -0.783 175.344 176.300 -0.288 0.000 1.041 249 R CA 0.175 56.045 56.100 -0.383 0.000 1.076 249 R CB -1.348 28.881 30.300 -0.119 0.000 1.290 249 R HN 0.011 nan 8.270 nan 0.000 0.563 250 T N 1.018 115.462 114.554 -0.183 0.000 2.847 250 T HA 0.351 4.701 4.350 -0.000 0.000 0.291 250 T C -0.915 173.747 174.700 -0.064 0.000 0.998 250 T CA -0.790 61.264 62.100 -0.076 0.000 0.967 250 T CB 0.938 69.792 68.868 -0.023 0.000 0.954 250 T HN 0.142 nan 8.240 nan 0.000 0.441 251 N N 3.406 122.089 118.700 -0.028 0.000 2.470 251 N HA 0.302 5.042 4.740 -0.000 0.000 0.268 251 N C -0.415 175.096 175.510 0.002 0.000 1.136 251 N CA -0.020 53.025 53.050 -0.007 0.000 0.961 251 N CB 0.981 39.483 38.487 0.025 0.000 1.067 251 N HN 0.571 nan 8.380 nan 0.000 0.468 252 I N 3.117 123.680 120.570 -0.011 0.000 2.378 252 I HA 0.408 4.578 4.170 -0.000 0.000 0.291 252 I C 0.053 176.148 176.117 -0.037 0.000 0.992 252 I CA -0.624 60.671 61.300 -0.007 0.000 1.154 252 I CB 1.387 39.380 38.000 -0.012 0.000 1.315 252 I HN 0.209 nan 8.210 nan 0.000 0.448 253 I N 6.566 127.121 120.570 -0.025 0.000 2.382 253 I HA 0.340 4.510 4.170 -0.000 0.000 0.286 253 I C -0.524 175.569 176.117 -0.040 0.000 1.002 253 I CA -0.748 60.495 61.300 -0.094 0.000 1.135 253 I CB 2.048 40.033 38.000 -0.025 0.000 1.288 253 I HN 0.209 nan 8.210 nan 0.000 0.448 254 V N 7.365 127.213 119.914 -0.110 0.000 2.427 254 V HA 0.563 4.683 4.120 -0.000 0.000 0.286 254 V C 0.079 176.155 176.094 -0.030 0.000 1.034 254 V CA -0.508 61.784 62.300 -0.014 0.000 0.893 254 V CB 1.684 33.497 31.823 -0.017 0.000 0.982 254 V HN 0.549 nan 8.190 nan 0.000 0.452 255 V N 1.827 121.802 119.914 0.102 0.000 3.167 255 V HA 1.014 5.134 4.120 -0.000 0.000 0.310 255 V C -0.306 175.851 176.094 0.105 0.000 1.207 255 V CA -0.584 61.800 62.300 0.140 0.000 1.059 255 V CB 2.085 34.057 31.823 0.248 0.000 1.079 255 V HN 0.911 nan 8.190 nan 0.000 0.446 256 S N -0.661 115.075 115.700 0.061 0.000 2.667 256 S HA 0.587 5.057 4.470 -0.000 0.000 0.292 256 S C -0.033 174.495 174.600 -0.120 0.000 1.126 256 S CA 0.077 58.247 58.200 -0.051 0.000 0.881 256 S CB 1.936 65.088 63.200 -0.080 0.000 1.132 256 S HN 1.017 nan 8.310 nan 0.000 0.492 257 D N -0.579 119.643 120.400 -0.297 0.000 2.327 257 D HA 0.142 4.782 4.640 -0.000 0.000 0.205 257 D C 0.445 176.665 176.300 -0.134 0.000 0.989 257 D CA 1.037 54.858 54.000 -0.299 0.000 0.873 257 D CB -0.492 40.024 40.800 -0.474 0.000 0.955 257 D HN 0.891 nan 8.370 nan 0.000 0.515 258 H N -3.751 115.269 119.070 -0.083 0.000 2.935 258 H HA 0.575 5.131 4.556 -0.000 0.000 0.297 258 H C 0.113 175.406 175.328 -0.058 0.000 1.423 258 H CA -0.874 55.126 56.048 -0.080 0.000 1.161 258 H CB 0.816 30.479 29.762 -0.164 0.000 1.841 258 H HN -0.026 nan 8.280 nan 0.000 0.506 259 G N -0.374 108.536 108.800 0.183 0.000 2.666 259 G HA2 0.507 4.467 3.960 -0.000 0.000 0.207 259 G HA3 0.507 4.467 3.960 -0.000 0.000 0.207 259 G C -0.790 174.251 174.900 0.235 0.000 1.481 259 G CA -0.372 44.827 45.100 0.165 0.000 1.071 259 G HN 0.789 nan 8.290 nan 0.000 0.572 260 M N -0.810 118.869 119.600 0.131 0.000 2.294 260 M HA 0.632 5.112 4.480 -0.000 0.000 0.280 260 M C -0.883 175.430 176.300 0.022 0.000 1.085 260 M CA -0.347 54.997 55.300 0.073 0.000 0.969 260 M CB 1.865 34.429 32.600 -0.059 0.000 1.770 260 M HN 0.845 nan 8.290 nan 0.000 0.485 261 A N 3.319 126.195 122.820 0.093 0.000 2.312 261 A HA 0.725 5.044 4.320 -0.000 0.000 0.328 261 A C -0.583 176.990 177.584 -0.017 0.000 1.158 261 A CA -0.594 51.468 52.037 0.041 0.000 0.821 261 A CB 0.721 19.763 19.000 0.070 0.000 1.170 261 A HN 0.806 nan 8.150 nan 0.000 0.490 262 E N 0.358 120.512 120.200 -0.076 0.000 2.384 262 E HA 0.318 4.668 4.350 -0.000 0.000 0.266 262 E C -1.052 175.473 176.600 -0.124 0.000 1.012 262 E CA 0.130 56.466 56.400 -0.107 0.000 0.901 262 E CB 0.949 30.578 29.700 -0.119 0.000 0.967 262 E HN 0.323 nan 8.360 nan 0.000 0.435 263 V N 3.455 123.283 119.914 -0.143 0.000 2.326 263 V HA 0.313 4.433 4.120 -0.000 0.000 0.281 263 V C 0.239 176.133 176.094 -0.332 0.000 1.015 263 V CA -0.583 61.594 62.300 -0.206 0.000 0.823 263 V CB 1.146 32.913 31.823 -0.093 0.000 1.009 263 V HN 0.769 nan 8.190 nan 0.000 0.436 264 A N 7.801 130.241 122.820 -0.633 0.000 2.346 264 A HA 0.731 5.051 4.320 -0.000 0.000 0.252 264 A C -2.434 174.852 177.584 -0.496 0.000 1.089 264 A CA -1.280 50.359 52.037 -0.663 0.000 0.797 264 A CB -0.048 18.359 19.000 -0.988 0.000 1.047 264 A HN 0.618 nan 8.150 nan 0.000 0.494 265 P HA 0.306 nan 4.420 nan 0.000 0.268 265 P C 0.829 178.083 177.300 -0.077 0.000 1.204 265 P CA 1.634 64.645 63.100 -0.148 0.000 0.768 265 P CB 0.696 32.341 31.700 -0.091 0.000 0.842 266 G N 1.968 110.739 108.800 -0.048 0.000 2.176 266 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.253 266 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.253 266 G C 0.236 175.066 174.900 -0.116 0.000 0.979 266 G CA -0.119 44.974 45.100 -0.010 0.000 0.641 266 G HN 0.617 nan 8.290 nan 0.000 0.530 267 H N 0.666 119.403 119.070 -0.555 0.000 2.638 267 H HA 0.674 5.230 4.556 -0.000 0.000 0.293 267 H C 0.700 175.709 175.328 -0.532 0.000 1.316 267 H CA 0.388 55.723 56.048 -1.188 0.000 1.099 267 H CB 0.162 29.060 29.762 -1.440 0.000 1.515 267 H HN 0.818 nan 8.280 nan 0.000 0.505 268 A N 1.337 124.109 122.820 -0.080 0.000 2.429 268 A HA 0.582 4.902 4.320 -0.000 0.000 0.289 268 A C -0.298 177.360 177.584 0.123 0.000 1.043 268 A CA -0.766 51.306 52.037 0.059 0.000 0.722 268 A CB 0.809 19.808 19.000 -0.001 0.000 1.243 268 A HN 0.420 nan 8.150 nan 0.000 0.415 269 I N -0.443 120.216 120.570 0.149 0.000 3.133 269 I HA 0.850 5.019 4.170 -0.000 0.000 0.311 269 I C 0.083 176.220 176.117 0.034 0.000 1.072 269 I CA -0.863 60.503 61.300 0.109 0.000 1.015 269 I CB 2.080 40.160 38.000 0.134 0.000 1.233 269 I HN 0.468 nan 8.210 nan 0.000 0.473 270 S N 1.224 116.935 115.700 0.019 0.000 2.525 270 S HA 0.270 4.740 4.470 -0.000 0.000 0.278 270 S C 1.141 175.726 174.600 -0.025 0.000 1.234 270 S CA -0.352 57.847 58.200 -0.001 0.000 1.058 270 S CB 1.380 64.592 63.200 0.020 0.000 0.983 270 S HN 0.798 nan 8.310 nan 0.000 0.495 271 V N 3.131 123.013 119.914 -0.053 0.000 2.453 271 V HA -0.162 3.958 4.120 -0.000 0.000 0.252 271 V C 1.778 177.950 176.094 0.130 0.000 1.068 271 V CA 2.156 64.447 62.300 -0.015 0.000 1.070 271 V CB -1.179 30.546 31.823 -0.164 0.000 0.664 271 V HN 0.927 nan 8.190 nan 0.000 0.461 272 E N 0.261 120.514 120.200 0.089 0.000 2.347 272 E HA -0.137 4.213 4.350 -0.000 0.000 0.196 272 E C 1.697 178.302 176.600 0.008 0.000 1.008 272 E CA 0.984 57.431 56.400 0.078 0.000 0.852 272 E CB -0.237 29.506 29.700 0.072 0.000 0.783 272 E HN 0.642 nan 8.360 nan 0.000 0.505 273 D N 0.540 120.935 120.400 -0.009 0.000 2.309 273 D HA -0.108 4.532 4.640 -0.000 0.000 0.212 273 D C 1.630 177.880 176.300 -0.084 0.000 0.968 273 D CA 0.835 54.817 54.000 -0.029 0.000 0.882 273 D CB 0.066 40.862 40.800 -0.007 0.000 0.918 273 D HN 0.284 nan 8.370 nan 0.000 0.503 274 I N -0.403 120.071 120.570 -0.159 0.000 2.628 274 I HA 0.117 4.287 4.170 -0.000 0.000 0.255 274 I C 0.754 176.640 176.117 -0.385 0.000 1.119 274 I CA 0.244 61.355 61.300 -0.316 0.000 1.448 274 I CB 0.202 37.925 38.000 -0.462 0.000 1.133 274 I HN -0.125 nan 8.210 nan 0.000 0.438 275 A N 1.770 124.360 122.820 -0.383 0.000 2.437 275 A HA 0.603 4.923 4.320 -0.000 0.000 0.293 275 A C -2.731 174.788 177.584 -0.108 0.000 1.038 275 A CA -1.157 50.660 52.037 -0.366 0.000 0.708 275 A CB 0.768 19.308 19.000 -0.766 0.000 1.251 275 A HN -0.159 nan 8.150 nan 0.000 0.409 276 P HA 0.262 nan 4.420 nan 0.000 0.274 276 P C -2.104 175.214 177.300 0.031 0.000 1.237 276 P CA -1.209 61.889 63.100 -0.002 0.000 0.793 276 P CB 0.580 32.272 31.700 -0.014 0.000 0.977 277 P HA -0.115 nan 4.420 nan 0.000 0.222 277 P C 1.303 178.627 177.300 0.040 0.000 1.147 277 P CA 1.398 64.532 63.100 0.058 0.000 0.790 277 P CB 0.074 31.801 31.700 0.046 0.000 0.780 278 Q N -0.049 119.765 119.800 0.023 0.000 2.167 278 Q HA -0.080 4.260 4.340 -0.000 0.000 0.202 278 Q C 2.192 178.202 176.000 0.017 0.000 0.970 278 Q CA 1.337 57.150 55.803 0.016 0.000 0.855 278 Q CB -0.743 28.000 28.738 0.007 0.000 0.911 278 Q HN 0.449 nan 8.270 nan 0.000 0.438 279 I N -5.219 115.359 120.570 0.014 0.000 3.708 279 I HA 0.507 4.676 4.170 -0.000 0.000 0.302 279 I C 0.447 176.584 176.117 0.033 0.000 1.255 279 I CA -0.180 61.126 61.300 0.010 0.000 1.362 279 I CB 0.608 38.599 38.000 -0.016 0.000 1.100 279 I HN -0.056 nan 8.210 nan 0.000 0.434 280 A N 0.504 123.362 122.820 0.064 0.000 2.594 280 A HA 0.670 4.990 4.320 -0.000 0.000 0.296 280 A C -0.686 177.034 177.584 0.227 0.000 1.061 280 A CA -0.387 51.733 52.037 0.137 0.000 0.689 280 A CB 1.030 20.107 19.000 0.127 0.000 1.280 280 A HN 0.074 nan 8.150 nan 0.000 0.406 281 T N 2.123 116.808 114.554 0.219 0.000 2.749 281 T HA 0.563 4.913 4.350 -0.000 0.000 0.287 281 T C 0.444 175.211 174.700 0.112 0.000 0.970 281 T CA 0.451 62.648 62.100 0.161 0.000 0.980 281 T CB 1.165 70.082 68.868 0.082 0.000 0.924 281 T HN 1.436 nan 8.240 nan 0.000 0.456 282 A N 4.673 127.510 122.820 0.028 0.000 2.473 282 A HA 0.254 4.574 4.320 -0.000 0.000 0.282 282 A C 1.383 178.933 177.584 -0.056 0.000 1.163 282 A CA -0.317 51.533 52.037 -0.312 0.000 0.827 282 A CB -0.467 18.422 19.000 -0.184 0.000 1.098 282 A HN 0.844 nan 8.150 nan 0.000 0.515 283 I N 1.946 122.415 120.570 -0.167 0.000 2.480 283 I HA -0.024 4.146 4.170 -0.000 0.000 0.251 283 I C 1.454 177.553 176.117 -0.031 0.000 1.124 283 I CA 1.764 63.028 61.300 -0.060 0.000 1.444 283 I CB -1.195 36.761 38.000 -0.072 0.000 1.098 283 I HN 0.725 nan 8.210 nan 0.000 0.428 284 T N -0.920 113.512 114.554 -0.203 0.000 2.901 284 T HA 0.549 4.899 4.350 -0.000 0.000 0.293 284 T C -0.675 173.695 174.700 -0.549 0.000 1.084 284 T CA -0.844 61.086 62.100 -0.283 0.000 1.008 284 T CB 3.113 71.591 68.868 -0.650 0.000 1.170 284 T HN 0.147 nan 8.240 nan 0.000 0.509 285 D N -1.263 118.753 120.400 -0.640 0.000 2.727 285 D HA 0.771 5.411 4.640 -0.000 0.000 0.264 285 D C 0.952 177.035 176.300 -0.361 0.000 1.101 285 D CA 0.085 53.627 54.000 -0.764 0.000 1.122 285 D CB 1.061 41.056 40.800 -1.343 0.000 1.390 285 D HN 1.270 nan 8.370 nan 0.000 0.606 286 G N 0.112 108.734 108.800 -0.297 0.000 3.355 286 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.247 286 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.247 286 G C 0.381 175.184 174.900 -0.162 0.000 1.818 286 G CA 0.742 45.718 45.100 -0.207 0.000 1.309 286 G HN 0.623 nan 8.290 nan 0.000 0.546 287 Q N -1.056 118.638 119.800 -0.176 0.000 2.104 287 Q HA 0.473 4.813 4.340 -0.000 0.000 0.240 287 Q C 0.243 176.203 176.000 -0.066 0.000 0.743 287 Q CA 0.666 56.392 55.803 -0.129 0.000 0.920 287 Q CB 1.822 30.328 28.738 -0.386 0.000 1.198 287 Q HN 0.704 nan 8.270 nan 0.000 0.465 288 V N 3.125 122.994 119.914 -0.076 0.000 2.294 288 V HA 0.372 4.492 4.120 -0.000 0.000 0.272 288 V C -0.838 175.275 176.094 0.031 0.000 1.027 288 V CA -0.529 61.782 62.300 0.018 0.000 0.823 288 V CB 1.002 32.787 31.823 -0.064 0.000 1.030 288 V HN 0.184 nan 8.190 nan 0.000 0.457 289 I N 4.316 124.889 120.570 0.004 0.000 2.330 289 I HA 0.521 4.691 4.170 -0.000 0.000 0.289 289 I C 0.813 176.859 176.117 -0.118 0.000 1.001 289 I CA -0.140 61.060 61.300 -0.167 0.000 1.193 289 I CB 1.235 39.135 38.000 -0.167 0.000 1.345 289 I HN 0.590 nan 8.210 nan 0.000 0.461 290 G N 5.970 114.616 108.800 -0.255 0.000 2.343 290 G HA2 0.631 4.591 3.960 -0.000 0.000 0.319 290 G HA3 0.631 4.591 3.960 -0.000 0.000 0.319 290 G C -1.346 173.388 174.900 -0.277 0.000 1.126 290 G CA -0.225 44.810 45.100 -0.108 0.000 0.889 290 G HN 0.316 nan 8.290 nan 0.000 0.457 291 F N 0.660 120.640 119.950 0.051 0.000 2.477 291 F HA 0.392 4.919 4.527 -0.000 0.000 0.335 291 F C 0.101 175.932 175.800 0.051 0.000 1.130 291 F CA -0.883 57.141 58.000 0.040 0.000 0.948 291 F CB 2.783 41.801 39.000 0.031 0.000 1.154 291 F HN 0.348 nan 8.300 nan 0.000 0.439 292 E N 5.957 126.282 120.200 0.209 0.000 2.055 292 E HA 0.397 4.747 4.350 -0.000 0.000 0.274 292 E C -2.618 174.065 176.600 0.140 0.000 0.949 292 E CA -2.873 53.615 56.400 0.147 0.000 0.775 292 E CB 0.908 30.666 29.700 0.097 0.000 1.097 292 E HN 0.083 nan 8.360 nan 0.000 0.404 293 P HA -0.074 nan 4.420 nan 0.000 0.265 293 P C -0.400 176.940 177.300 0.067 0.000 1.187 293 P CA -0.268 62.883 63.100 0.085 0.000 0.766 293 P CB 0.404 32.142 31.700 0.063 0.000 0.820 294 L N 5.985 127.242 121.223 0.057 0.000 2.472 294 L HA 0.117 4.457 4.340 -0.000 0.000 0.273 294 L C -1.778 175.113 176.870 0.035 0.000 1.254 294 L CA -0.859 54.007 54.840 0.044 0.000 0.823 294 L CB -1.337 40.744 42.059 0.036 0.000 1.096 294 L HN 0.356 nan 8.230 nan 0.000 0.521 295 P HA 0.195 nan 4.420 nan 0.000 0.271 295 P C 0.547 177.859 177.300 0.020 0.000 1.226 295 P CA 0.679 63.794 63.100 0.025 0.000 0.765 295 P CB 0.544 32.256 31.700 0.021 0.000 0.835 296 G N 2.865 111.676 108.800 0.020 0.000 2.168 296 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.263 296 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.263 296 G C 0.679 175.588 174.900 0.015 0.000 0.977 296 G CA -0.126 44.983 45.100 0.016 0.000 0.659 296 G HN 0.535 nan 8.290 nan 0.000 0.533 297 Q N -0.716 119.095 119.800 0.019 0.000 2.188 297 Q HA 0.232 4.572 4.340 -0.000 0.000 0.212 297 Q C 1.933 177.944 176.000 0.017 0.000 0.846 297 Q CA 0.686 56.498 55.803 0.015 0.000 0.989 297 Q CB 0.746 29.494 28.738 0.017 0.000 1.114 297 Q HN 0.681 nan 8.270 nan 0.000 0.488 298 Q N 1.424 121.237 119.800 0.022 0.000 2.050 298 Q HA -0.076 4.264 4.340 -0.000 0.000 0.202 298 Q C 1.862 177.874 176.000 0.019 0.000 0.980 298 Q CA 2.031 57.850 55.803 0.027 0.000 0.840 298 Q CB -0.147 28.610 28.738 0.032 0.000 0.898 298 Q HN 0.339 nan 8.270 nan 0.000 0.424 299 A N 0.359 123.188 122.820 0.014 0.000 1.902 299 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 299 A C 2.305 179.890 177.584 0.002 0.000 1.181 299 A CA 1.901 53.943 52.037 0.009 0.000 0.623 299 A CB -1.237 17.768 19.000 0.007 0.000 0.818 299 A HN 0.548 nan 8.150 nan 0.000 0.443 300 A N -0.276 122.543 122.820 -0.001 0.000 1.930 300 A HA 0.199 4.519 4.320 -0.000 0.000 0.217 300 A C 2.478 180.049 177.584 -0.022 0.000 1.175 300 A CA 2.011 54.042 52.037 -0.010 0.000 0.627 300 A CB -0.929 18.066 19.000 -0.009 0.000 0.815 300 A HN 0.973 nan 8.150 nan 0.000 0.443 301 A N -0.039 122.770 122.820 -0.020 0.000 1.841 301 A HA -0.154 4.166 4.320 -0.000 0.000 0.214 301 A C 1.896 179.454 177.584 -0.042 0.000 1.195 301 A CA 1.595 53.605 52.037 -0.045 0.000 0.611 301 A CB -0.698 18.290 19.000 -0.021 0.000 0.835 301 A HN 0.595 nan 8.150 nan 0.000 0.443 302 E N -0.242 119.954 120.200 -0.008 0.000 2.035 302 E HA -0.240 4.110 4.350 -0.000 0.000 0.204 302 E C 2.329 178.927 176.600 -0.003 0.000 1.025 302 E CA 1.248 57.651 56.400 0.006 0.000 0.835 302 E CB -0.444 29.268 29.700 0.020 0.000 0.764 302 E HN 0.585 nan 8.360 nan 0.000 0.457 303 A N 0.734 123.550 122.820 -0.006 0.000 1.954 303 A HA -0.316 4.004 4.320 -0.000 0.000 0.222 303 A C 2.277 179.857 177.584 -0.007 0.000 1.199 303 A CA 2.374 54.405 52.037 -0.009 0.000 0.657 303 A CB -0.731 18.262 19.000 -0.011 0.000 0.823 303 A HN 0.244 nan 8.150 nan 0.000 0.463 304 S N -2.117 113.572 115.700 -0.020 0.000 2.439 304 S HA 0.063 4.533 4.470 -0.000 0.000 0.224 304 S C 1.599 176.192 174.600 -0.012 0.000 1.029 304 S CA 1.175 59.358 58.200 -0.027 0.000 0.946 304 S CB -0.057 63.101 63.200 -0.071 0.000 0.797 304 S HN 0.298 nan 8.310 nan 0.000 0.504 305 V N 1.320 121.217 119.914 -0.028 0.000 3.048 305 V HA 0.357 4.477 4.120 -0.000 0.000 0.241 305 V C 0.759 176.957 176.094 0.172 0.000 1.129 305 V CA 0.086 62.363 62.300 -0.038 0.000 1.128 305 V CB -0.279 31.425 31.823 -0.199 0.000 0.849 305 V HN 0.300 nan 8.190 nan 0.000 0.475 306 L N 1.325 122.597 121.223 0.081 0.000 2.485 306 L HA 0.479 4.819 4.340 -0.000 0.000 0.275 306 L C 0.965 177.790 176.870 -0.075 0.000 1.207 306 L CA 1.441 56.290 54.840 0.016 0.000 0.855 306 L CB -0.297 41.759 42.059 -0.004 0.000 1.114 306 L HN 0.478 nan 8.230 nan 0.000 0.485 307 G N 1.894 110.540 108.800 -0.257 0.000 2.466 307 G HA2 0.084 4.044 3.960 -0.000 0.000 0.316 307 G HA3 0.084 4.044 3.960 -0.000 0.000 0.316 307 G C -0.893 173.654 174.900 -0.588 0.000 1.270 307 G CA -0.384 44.469 45.100 -0.411 0.000 0.982 307 G HN 0.953 nan 8.290 nan 0.000 0.506 308 A N 0.195 122.643 122.820 -0.620 0.000 2.310 308 A HA 0.840 5.160 4.320 -0.000 0.000 0.299 308 A C 0.094 177.118 177.584 -0.933 0.000 1.147 308 A CA -0.076 51.606 52.037 -0.593 0.000 0.818 308 A CB 0.527 19.319 19.000 -0.347 0.000 1.096 308 A HN 1.005 nan 8.150 nan 0.000 0.495 309 H N 0.162 118.854 119.070 -0.629 0.000 2.931 309 H HA 0.183 4.738 4.556 -0.000 0.000 0.331 309 H C 0.224 175.105 175.328 -0.745 0.000 1.273 309 H CA -0.462 55.127 56.048 -0.765 0.000 1.171 309 H CB 1.107 30.074 29.762 -1.325 0.000 1.898 309 H HN 0.782 nan 8.280 nan 0.000 0.562 310 D N 0.063 120.169 120.400 -0.492 0.000 2.230 310 D HA -0.214 4.425 4.640 -0.000 0.000 0.189 310 D C 0.653 176.394 176.300 -0.933 0.000 1.006 310 D CA 1.892 55.521 54.000 -0.619 0.000 0.853 310 D CB 0.080 40.576 40.800 -0.506 0.000 0.959 310 D HN 0.508 nan 8.370 nan 0.000 0.449 311 H N -2.064 116.629 119.070 -0.628 0.000 2.575 311 H HA 0.199 4.755 4.556 -0.000 0.000 0.256 311 H C -0.731 174.051 175.328 -0.910 0.000 1.162 311 H CA -0.251 55.271 56.048 -0.876 0.000 0.969 311 H CB -0.001 28.917 29.762 -1.406 0.000 1.796 311 H HN 0.260 nan 8.280 nan 0.000 0.607 312 Y N -1.807 118.012 120.300 -0.801 0.000 2.656 312 Y HA 0.561 5.111 4.550 -0.000 0.000 0.334 312 Y C -1.660 174.128 175.900 -0.187 0.000 1.179 312 Y CA -1.392 56.430 58.100 -0.464 0.000 1.050 312 Y CB 1.213 39.595 38.460 -0.130 0.000 1.308 312 Y HN -0.231 nan 8.280 nan 0.000 0.456 313 D N 1.010 121.468 120.400 0.096 0.000 2.738 313 D HA 0.595 5.235 4.640 -0.000 0.000 0.237 313 D C -1.286 174.895 176.300 -0.199 0.000 1.123 313 D CA -0.095 53.804 54.000 -0.169 0.000 0.856 313 D CB 2.500 43.092 40.800 -0.347 0.000 1.552 313 D HN 0.767 nan 8.370 nan 0.000 0.480 314 c N 1.257 119.636 118.600 -0.369 0.000 2.707 314 c HA 0.667 5.236 4.570 -0.000 0.000 0.313 314 c C -0.592 173.285 174.090 -0.356 0.000 1.209 314 c CA -0.811 55.445 56.329 -0.121 0.000 1.635 314 c CB 1.939 44.542 42.510 0.156 0.000 2.206 314 c HN 0.565 nan 8.230 nan 0.000 0.485 315 W N 0.234 121.659 121.300 0.209 0.000 3.083 315 W HA 0.472 5.131 4.660 -0.001 0.000 0.333 315 W C -0.500 176.110 176.519 0.152 0.000 1.217 315 W CA -0.749 56.689 57.345 0.156 0.000 1.170 315 W CB 1.182 30.736 29.460 0.158 0.000 1.437 315 W HN 0.560 nan 8.180 nan 0.000 0.557 316 R N 1.522 122.232 120.500 0.350 0.000 2.543 316 R HA 0.035 4.374 4.340 -0.000 0.000 0.277 316 R C 1.590 178.043 176.300 0.256 0.000 1.074 316 R CA -0.050 56.197 56.100 0.245 0.000 1.076 316 R CB 1.001 31.402 30.300 0.168 0.000 0.993 316 R HN 0.483 nan 8.270 nan 0.000 0.459 317 K N 1.503 122.025 120.400 0.204 0.000 2.152 317 K HA -0.168 4.152 4.320 -0.000 0.000 0.206 317 K C 1.610 178.275 176.600 0.109 0.000 1.048 317 K CA 1.750 58.142 56.287 0.174 0.000 0.933 317 K CB -0.107 32.467 32.500 0.124 0.000 0.721 317 K HN 0.563 nan 8.250 nan 0.000 0.447 318 A N 1.856 124.729 122.820 0.089 0.000 1.929 318 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 318 A C 1.444 179.055 177.584 0.047 0.000 1.176 318 A CA 1.101 53.170 52.037 0.053 0.000 0.628 318 A CB -0.204 18.824 19.000 0.046 0.000 0.816 318 A HN 0.482 nan 8.150 nan 0.000 0.444 319 E N -0.211 120.040 120.200 0.085 0.000 2.445 319 E HA 0.222 4.572 4.350 -0.000 0.000 0.189 319 E C -0.467 176.136 176.600 0.005 0.000 1.069 319 E CA -0.467 55.982 56.400 0.081 0.000 0.871 319 E CB -0.059 29.732 29.700 0.151 0.000 0.991 319 E HN 0.531 nan 8.360 nan 0.000 0.481 320 L N 2.003 123.176 121.223 -0.082 0.000 2.467 320 L HA 0.101 4.441 4.340 -0.000 0.000 0.270 320 L C -1.940 174.604 176.870 -0.543 0.000 1.205 320 L CA -1.836 52.747 54.840 -0.427 0.000 0.828 320 L CB -0.178 41.798 42.059 -0.138 0.000 1.101 320 L HN -0.174 nan 8.230 nan 0.000 0.479 321 P HA -0.097 nan 4.420 nan 0.000 0.260 321 P C 0.042 177.034 177.300 -0.513 0.000 1.172 321 P CA 0.275 62.867 63.100 -0.848 0.000 0.760 321 P CB 0.713 31.487 31.700 -1.544 0.000 0.773 322 A N 5.528 128.155 122.820 -0.322 0.000 1.978 322 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 322 A C 1.995 179.496 177.584 -0.138 0.000 1.170 322 A CA 1.539 53.471 52.037 -0.174 0.000 0.636 322 A CB -0.711 18.217 19.000 -0.120 0.000 0.810 322 A HN 0.666 nan 8.150 nan 0.000 0.448 323 R N -2.170 118.200 120.500 -0.216 0.000 2.193 323 R HA -0.102 4.238 4.340 -0.000 0.000 0.213 323 R C 1.361 177.682 176.300 0.035 0.000 1.055 323 R CA 0.972 57.008 56.100 -0.108 0.000 0.995 323 R CB -0.344 29.868 30.300 -0.146 0.000 0.893 323 R HN 0.572 nan 8.270 nan 0.000 0.459 324 W N 1.741 122.930 121.300 -0.185 0.000 2.678 324 W HA 0.122 4.782 4.660 -0.000 0.000 0.256 324 W C 0.245 176.714 176.519 -0.084 0.000 1.280 324 W CA 0.126 57.332 57.345 -0.233 0.000 1.345 324 W CB -0.429 28.623 29.460 -0.680 0.000 1.118 324 W HN 0.241 nan 8.180 nan 0.000 0.629 325 Q N -0.791 119.089 119.800 0.134 0.000 2.454 325 Q HA -0.273 4.067 4.340 -0.000 0.000 0.341 325 Q C -1.059 175.039 176.000 0.164 0.000 1.437 325 Q CA 0.839 56.697 55.803 0.092 0.000 0.935 325 Q CB -2.284 26.480 28.738 0.043 0.000 1.164 325 Q HN 0.403 nan 8.270 nan 0.000 0.373 326 Y N -1.809 118.497 120.300 0.011 0.000 2.565 326 Y HA 0.491 5.040 4.550 -0.000 0.000 0.330 326 Y C 0.697 176.630 175.900 0.054 0.000 1.150 326 Y CA 0.435 58.566 58.100 0.053 0.000 1.055 326 Y CB 1.640 40.166 38.460 0.110 0.000 1.337 326 Y HN 0.195 nan 8.280 nan 0.000 0.457 327 G N 1.364 109.967 108.800 -0.328 0.000 2.205 327 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.180 327 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.180 327 G C 0.776 175.625 174.900 -0.085 0.000 1.004 327 G CA 0.553 45.554 45.100 -0.166 0.000 0.670 327 G HN 1.364 nan 8.290 nan 0.000 0.496 328 S N -0.721 114.941 115.700 -0.063 0.000 2.486 328 S HA 0.251 4.721 4.470 -0.000 0.000 0.220 328 S C 0.779 175.368 174.600 -0.019 0.000 1.011 328 S CA 0.693 58.884 58.200 -0.015 0.000 0.921 328 S CB 0.018 63.233 63.200 0.024 0.000 0.785 328 S HN 0.689 nan 8.310 nan 0.000 0.517 329 H N 3.330 122.339 119.070 -0.102 0.000 2.886 329 H HA 0.253 4.809 4.556 -0.000 0.000 0.329 329 H C -1.728 173.565 175.328 -0.058 0.000 1.044 329 H CA -1.105 54.901 56.048 -0.071 0.000 1.456 329 H CB 1.008 30.718 29.762 -0.087 0.000 1.464 329 H HN 0.043 nan 8.280 nan 0.000 0.573 330 P HA -0.175 nan 4.420 nan 0.000 0.217 330 P C 0.934 178.301 177.300 0.111 0.000 1.148 330 P CA 1.502 64.600 63.100 -0.004 0.000 0.828 330 P CB 0.221 31.875 31.700 -0.077 0.000 0.783 331 R N -1.043 119.623 120.500 0.278 0.000 2.237 331 R HA 0.056 4.396 4.340 -0.000 0.000 0.219 331 R C 0.796 177.167 176.300 0.118 0.000 1.080 331 R CA 0.229 56.446 56.100 0.196 0.000 0.995 331 R CB -0.556 29.862 30.300 0.197 0.000 0.875 331 R HN 0.262 nan 8.270 nan 0.000 0.462 332 I N 2.487 123.109 120.570 0.086 0.000 2.496 332 I HA 0.107 4.277 4.170 -0.000 0.000 0.285 332 I C -2.080 174.083 176.117 0.077 0.000 1.080 332 I CA -2.346 58.983 61.300 0.049 0.000 1.404 332 I CB 0.895 38.844 38.000 -0.084 0.000 1.403 332 I HN -0.247 nan 8.210 nan 0.000 0.539 333 P HA 0.078 nan 4.420 nan 0.000 0.269 333 P C 0.510 177.887 177.300 0.129 0.000 1.215 333 P CA -0.008 63.154 63.100 0.103 0.000 0.780 333 P CB 0.654 32.410 31.700 0.093 0.000 0.898 334 S N 0.627 116.401 115.700 0.123 0.000 2.378 334 S HA -0.159 4.311 4.470 -0.000 0.000 0.229 334 S C 0.790 175.492 174.600 0.169 0.000 1.052 334 S CA 1.396 59.673 58.200 0.127 0.000 1.084 334 S CB -0.604 62.665 63.200 0.114 0.000 0.950 334 S HN 0.362 nan 8.310 nan 0.000 0.440 335 L N 1.430 122.780 121.223 0.212 0.000 2.333 335 L HA 0.531 4.871 4.340 -0.000 0.000 0.280 335 L C -1.216 175.855 176.870 0.337 0.000 1.004 335 L CA -0.584 54.415 54.840 0.265 0.000 0.820 335 L CB 1.972 44.179 42.059 0.247 0.000 1.247 335 L HN -0.082 nan 8.230 nan 0.000 0.416 336 V N 2.188 122.335 119.914 0.388 0.000 2.407 336 V HA 0.332 4.452 4.120 -0.000 0.000 0.291 336 V C -0.310 176.100 176.094 0.527 0.000 1.018 336 V CA -0.527 62.035 62.300 0.436 0.000 0.842 336 V CB 1.743 33.853 31.823 0.479 0.000 0.996 336 V HN 0.825 nan 8.190 nan 0.000 0.426 337 c N 4.202 123.069 118.600 0.445 0.000 2.341 337 c HA 0.652 5.221 4.570 -0.000 0.000 0.338 337 c C 0.176 174.518 174.090 0.420 0.000 1.257 337 c CA -0.517 56.072 56.329 0.432 0.000 1.883 337 c CB 1.077 43.784 42.510 0.328 0.000 2.334 337 c HN 0.869 nan 8.230 nan 0.000 0.524 338 Q N 3.568 123.692 119.800 0.541 0.000 2.357 338 Q HA 0.485 4.825 4.340 -0.000 0.000 0.266 338 Q C -0.489 175.791 176.000 0.468 0.000 1.021 338 Q CA -0.205 55.897 55.803 0.498 0.000 0.784 338 Q CB 0.626 29.786 28.738 0.704 0.000 1.243 338 Q HN 0.630 nan 8.270 nan 0.000 0.465 339 M N 2.732 122.554 119.600 0.370 0.000 2.248 339 M HA 0.155 4.635 4.480 -0.000 0.000 0.337 339 M C 0.184 176.817 176.300 0.555 0.000 1.121 339 M CA 0.316 55.858 55.300 0.403 0.000 1.155 339 M CB -0.019 32.811 32.600 0.385 0.000 1.514 339 M HN 0.703 nan 8.290 nan 0.000 0.452 340 H N 0.090 119.374 119.070 0.357 0.000 2.679 340 H HA 0.069 4.624 4.556 -0.000 0.000 0.369 340 H C 0.090 175.480 175.328 0.102 0.000 1.178 340 H CA -0.574 55.621 56.048 0.246 0.000 1.419 340 H CB 0.715 30.573 29.762 0.159 0.000 1.458 340 H HN 0.529 nan 8.280 nan 0.000 0.605 341 E N 0.536 120.717 120.200 -0.032 0.000 2.452 341 E HA -0.044 4.306 4.350 -0.000 0.000 0.261 341 E C 0.656 177.070 176.600 -0.310 0.000 0.987 341 E CA 0.803 56.794 56.400 -0.681 0.000 0.926 341 E CB 0.217 29.713 29.700 -0.340 0.000 0.934 341 E HN 0.935 nan 8.360 nan 0.000 0.452 342 G N 3.535 112.000 108.800 -0.558 0.000 2.143 342 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.249 342 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.249 342 G C -0.727 174.150 174.900 -0.039 0.000 0.981 342 G CA 0.216 45.243 45.100 -0.121 0.000 0.665 342 G HN 0.510 nan 8.290 nan 0.000 0.528 343 W N 0.628 122.013 121.300 0.141 0.000 2.785 343 W HA 0.647 5.307 4.660 -0.000 0.000 0.333 343 W C -0.529 176.122 176.519 0.219 0.000 1.062 343 W CA -0.717 56.728 57.345 0.167 0.000 1.233 343 W CB 1.500 31.016 29.460 0.094 0.000 1.413 343 W HN -0.026 nan 8.180 nan 0.000 0.489 344 D N 1.537 122.107 120.400 0.284 0.000 2.269 344 D HA 0.645 5.285 4.640 -0.000 0.000 0.244 344 D C -0.882 175.491 176.300 0.121 0.000 0.992 344 D CA -0.533 53.559 54.000 0.153 0.000 0.894 344 D CB 2.059 42.885 40.800 0.044 0.000 1.248 344 D HN 0.337 nan 8.370 nan 0.000 0.468 345 A N 2.179 125.004 122.820 0.007 0.000 2.311 345 A HA 0.613 4.933 4.320 -0.000 0.000 0.306 345 A C -0.713 176.760 177.584 -0.184 0.000 1.189 345 A CA -0.610 51.384 52.037 -0.072 0.000 0.791 345 A CB 0.425 19.352 19.000 -0.122 0.000 1.172 345 A HN 0.470 nan 8.150 nan 0.000 0.481 346 L N 1.760 122.888 121.223 -0.157 0.000 2.330 346 L HA 0.550 4.890 4.340 -0.000 0.000 0.271 346 L C -0.394 176.358 176.870 -0.196 0.000 1.013 346 L CA -0.811 53.903 54.840 -0.211 0.000 0.816 346 L CB 1.562 43.567 42.059 -0.089 0.000 1.287 346 L HN 0.700 nan 8.230 nan 0.000 0.435 347 F N 2.310 122.211 119.950 -0.082 0.000 2.629 347 F HA 0.015 4.542 4.527 -0.000 0.000 0.369 347 F C -1.012 174.753 175.800 -0.057 0.000 1.125 347 F CA -0.831 57.120 58.000 -0.082 0.000 1.330 347 F CB 0.266 39.202 39.000 -0.108 0.000 1.071 347 F HN 0.403 nan 8.300 nan 0.000 0.595 348 P HA -0.156 nan 4.420 nan 0.000 0.223 348 P C 0.774 178.104 177.300 0.051 0.000 1.151 348 P CA 1.309 64.453 63.100 0.073 0.000 0.787 348 P CB -0.027 31.710 31.700 0.062 0.000 0.788 349 D N 0.635 121.067 120.400 0.053 0.000 2.123 349 D HA -0.170 4.470 4.640 -0.000 0.000 0.200 349 D C 1.927 178.239 176.300 0.019 0.000 0.976 349 D CA 1.119 55.129 54.000 0.017 0.000 0.831 349 D CB -0.844 39.945 40.800 -0.019 0.000 0.974 349 D HN 0.128 nan 8.370 nan 0.000 0.469 350 K N -0.133 120.295 120.400 0.047 0.000 2.026 350 K HA -0.122 4.198 4.320 -0.000 0.000 0.208 350 K C 2.363 178.971 176.600 0.013 0.000 1.048 350 K CA 0.830 57.136 56.287 0.031 0.000 0.929 350 K CB -0.270 32.267 32.500 0.062 0.000 0.713 350 K HN 0.081 nan 8.250 nan 0.000 0.439 351 L N 0.924 122.158 121.223 0.019 0.000 2.012 351 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 351 L C 2.216 179.090 176.870 0.007 0.000 1.073 351 L CA 2.148 56.992 54.840 0.008 0.000 0.748 351 L CB -0.588 41.479 42.059 0.014 0.000 0.891 351 L HN 0.234 nan 8.230 nan 0.000 0.431 352 A N -0.093 122.733 122.820 0.010 0.000 1.933 352 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 352 A C 2.305 179.889 177.584 0.001 0.000 1.175 352 A CA 2.141 54.182 52.037 0.006 0.000 0.628 352 A CB -0.606 18.398 19.000 0.006 0.000 0.814 352 A HN 0.675 nan 8.150 nan 0.000 0.444 353 K N -0.711 119.688 120.400 -0.002 0.000 2.211 353 K HA 0.031 4.351 4.320 -0.000 0.000 0.201 353 K C 1.075 177.669 176.600 -0.009 0.000 1.052 353 K CA 0.175 56.458 56.287 -0.006 0.000 0.973 353 K CB -0.234 32.260 32.500 -0.010 0.000 0.766 353 K HN 0.189 nan 8.250 nan 0.000 0.466 354 R N 2.279 122.772 120.500 -0.011 0.000 2.501 354 R HA -0.019 4.321 4.340 -0.000 0.000 0.319 354 R C -0.877 175.412 176.300 -0.018 0.000 0.913 354 R CA 0.483 56.572 56.100 -0.018 0.000 1.104 354 R CB 0.061 30.349 30.300 -0.021 0.000 0.901 354 R HN 0.348 nan 8.270 nan 0.000 0.407 355 A N 5.697 128.505 122.820 -0.020 0.000 2.350 355 A HA 0.187 4.506 4.320 -0.000 0.000 0.293 355 A C -0.396 177.174 177.584 -0.024 0.000 1.231 355 A CA -0.465 51.561 52.037 -0.017 0.000 0.883 355 A CB 0.274 19.266 19.000 -0.013 0.000 1.133 355 A HN 0.853 nan 8.150 nan 0.000 0.533 356 Q N 1.284 121.073 119.800 -0.019 0.000 2.288 356 Q HA 0.469 4.809 4.340 -0.000 0.000 0.254 356 Q C 0.657 176.646 176.000 -0.018 0.000 0.932 356 Q CA -0.072 55.716 55.803 -0.024 0.000 0.902 356 Q CB 1.515 30.242 28.738 -0.019 0.000 1.203 356 Q HN 0.895 nan 8.270 nan 0.000 0.415 357 R N 1.289 121.775 120.500 -0.024 0.000 5.678 357 R HA 0.183 4.523 4.340 -0.000 0.000 0.074 357 R C 0.114 176.401 176.300 -0.022 0.000 0.778 357 R CA 0.604 56.695 56.100 -0.013 0.000 1.020 357 R CB -0.167 30.135 30.300 0.002 0.000 1.209 357 R HN 0.666 nan 8.270 nan 0.000 0.390 358 G N 0.453 109.243 108.800 -0.017 0.000 2.736 358 G HA2 0.391 4.351 3.960 -0.000 0.000 0.229 358 G HA3 0.391 4.351 3.960 -0.000 0.000 0.229 358 G C -0.813 174.057 174.900 -0.050 0.000 1.380 358 G CA -0.311 44.780 45.100 -0.016 0.000 1.040 358 G HN 0.250 nan 8.290 nan 0.000 0.568 359 T N 0.584 115.114 114.554 -0.039 0.000 2.913 359 T HA 0.468 4.818 4.350 -0.000 0.000 0.297 359 T C 0.363 175.021 174.700 -0.070 0.000 1.029 359 T CA 0.248 62.302 62.100 -0.076 0.000 1.104 359 T CB 0.907 69.737 68.868 -0.063 0.000 0.964 359 T HN 0.363 nan 8.240 nan 0.000 0.532 360 R N 0.006 120.449 120.500 -0.096 0.000 3.018 360 R HA 0.782 5.121 4.340 -0.000 0.000 0.243 360 R C -0.063 176.197 176.300 -0.067 0.000 1.315 360 R CA -1.080 54.972 56.100 -0.080 0.000 1.039 360 R CB 1.681 31.937 30.300 -0.073 0.000 1.315 360 R HN 0.756 nan 8.270 nan 0.000 0.492 361 G N -0.410 108.365 108.800 -0.042 0.000 2.642 361 G HA2 0.608 4.568 3.960 -0.000 0.000 0.293 361 G HA3 0.608 4.568 3.960 -0.000 0.000 0.293 361 G C -1.301 173.573 174.900 -0.044 0.000 1.341 361 G CA -0.288 44.772 45.100 -0.067 0.000 0.916 361 G HN 0.358 nan 8.290 nan 0.000 0.474 362 S N -1.442 114.246 115.700 -0.020 0.000 2.565 362 S HA 0.665 5.134 4.470 -0.000 0.000 0.269 362 S C -0.731 173.852 174.600 -0.027 0.000 1.153 362 S CA -0.704 57.464 58.200 -0.054 0.000 0.835 362 S CB 1.665 64.877 63.200 0.020 0.000 1.122 362 S HN 1.090 nan 8.310 nan 0.000 0.462 363 H N -1.502 117.397 119.070 -0.283 0.000 4.003 363 H HA 0.829 5.385 4.556 -0.000 0.000 0.368 363 H C 0.944 175.821 175.328 -0.753 0.000 1.587 363 H CA -0.300 55.514 56.048 -0.390 0.000 1.281 363 H CB -0.281 29.233 29.762 -0.414 0.000 1.104 363 H HN 1.145 nan 8.280 nan 0.000 0.776 364 G N -1.262 107.230 108.800 -0.513 0.000 2.143 364 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.248 364 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.248 364 G C -0.828 173.725 174.900 -0.577 0.000 0.991 364 G CA 0.603 45.346 45.100 -0.595 0.000 0.689 364 G HN 0.497 nan 8.290 nan 0.000 0.522 365 Y N -0.108 120.123 120.300 -0.116 0.000 2.480 365 Y HA 0.547 5.097 4.550 -0.000 0.000 0.323 365 Y C 0.880 176.754 175.900 -0.043 0.000 1.267 365 Y CA -1.539 56.542 58.100 -0.031 0.000 1.336 365 Y CB 0.351 38.842 38.460 0.052 0.000 1.361 365 Y HN 0.081 nan 8.280 nan 0.000 0.518 366 D N 2.377 122.936 120.400 0.265 0.000 2.793 366 D HA -0.089 4.551 4.640 -0.000 0.000 0.230 366 D C -1.836 174.579 176.300 0.192 0.000 1.139 366 D CA -0.357 53.806 54.000 0.272 0.000 0.838 366 D CB 0.775 41.835 40.800 0.433 0.000 1.149 366 D HN 0.241 nan 8.370 nan 0.000 0.526 367 P HA -0.047 nan 4.420 nan 0.000 0.228 367 P C 0.556 177.918 177.300 0.103 0.000 1.151 367 P CA 0.757 63.921 63.100 0.107 0.000 0.770 367 P CB 0.196 31.962 31.700 0.111 0.000 0.786 368 A N -1.172 121.739 122.820 0.152 0.000 2.251 368 A HA 0.097 4.417 4.320 -0.000 0.000 0.209 368 A C 0.835 178.420 177.584 0.002 0.000 1.187 368 A CA 0.037 52.116 52.037 0.069 0.000 0.823 368 A CB -0.900 18.166 19.000 0.109 0.000 0.846 368 A HN 0.139 nan 8.150 nan 0.000 0.486 369 L N 0.107 121.351 121.223 0.036 0.000 2.331 369 L HA 0.201 4.540 4.340 -0.000 0.000 0.278 369 L C -1.498 175.330 176.870 -0.070 0.000 1.106 369 L CA -1.803 53.039 54.840 0.002 0.000 0.824 369 L CB 1.247 43.341 42.059 0.058 0.000 1.142 369 L HN 0.056 nan 8.230 nan 0.000 0.443 370 P HA -0.182 nan 4.420 nan 0.000 0.218 370 P C 1.453 178.699 177.300 -0.090 0.000 1.146 370 P CA 1.104 64.098 63.100 -0.177 0.000 0.813 370 P CB 0.193 31.804 31.700 -0.148 0.000 0.778 371 S N -2.118 113.563 115.700 -0.032 0.000 2.453 371 S HA -0.039 4.431 4.470 -0.000 0.000 0.231 371 S C 1.680 176.312 174.600 0.054 0.000 1.005 371 S CA 0.817 59.022 58.200 0.009 0.000 0.949 371 S CB -0.893 62.316 63.200 0.015 0.000 0.774 371 S HN -0.048 nan 8.310 nan 0.000 0.510 372 M N 0.995 120.630 119.600 0.059 0.000 2.561 372 M HA 0.297 4.777 4.480 -0.000 0.000 0.238 372 M C 0.535 176.876 176.300 0.067 0.000 1.131 372 M CA 0.226 55.582 55.300 0.094 0.000 1.046 372 M CB -0.918 31.743 32.600 0.101 0.000 1.532 372 M HN 0.266 nan 8.290 nan 0.000 0.497 373 R N 0.661 121.172 120.500 0.018 0.000 2.537 373 R HA 0.372 4.712 4.340 -0.000 0.000 0.280 373 R C 0.180 176.541 176.300 0.101 0.000 1.058 373 R CA -0.063 56.060 56.100 0.040 0.000 1.057 373 R CB 0.594 30.881 30.300 -0.021 0.000 0.973 373 R HN 0.200 nan 8.270 nan 0.000 0.438 374 A N 2.761 125.656 122.820 0.125 0.000 2.261 374 A HA 0.559 4.879 4.320 -0.000 0.000 0.323 374 A C -0.564 177.124 177.584 0.173 0.000 1.107 374 A CA -0.679 51.421 52.037 0.105 0.000 0.883 374 A CB 1.077 20.111 19.000 0.057 0.000 1.251 374 A HN 0.452 nan 8.150 nan 0.000 0.502 375 V N 0.001 120.005 119.914 0.151 0.000 2.539 375 V HA 0.530 4.649 4.120 -0.000 0.000 0.292 375 V C -0.819 175.436 176.094 0.270 0.000 1.045 375 V CA -0.032 62.382 62.300 0.189 0.000 0.945 375 V CB 1.087 32.978 31.823 0.112 0.000 0.993 375 V HN 0.702 nan 8.190 nan 0.000 0.464 376 F N 6.901 126.956 119.950 0.175 0.000 2.557 376 F HA 0.802 5.329 4.527 -0.000 0.000 0.316 376 F C -1.098 174.792 175.800 0.149 0.000 1.141 376 F CA -0.733 57.393 58.000 0.209 0.000 0.922 376 F CB 1.466 40.704 39.000 0.396 0.000 1.194 376 F HN 0.421 nan 8.300 nan 0.000 0.443 377 L N 3.680 124.495 121.223 -0.681 0.000 2.540 377 L HA 1.084 5.424 4.340 -0.000 0.000 0.256 377 L C -1.629 174.872 176.870 -0.614 0.000 1.001 377 L CA -0.968 53.593 54.840 -0.464 0.000 0.843 377 L CB 1.599 43.569 42.059 -0.148 0.000 1.436 377 L HN 0.816 nan 8.230 nan 0.000 0.410 378 A N 1.056 123.686 122.820 -0.317 0.000 2.589 378 A HA 0.868 5.187 4.320 -0.000 0.000 0.296 378 A C -1.724 175.806 177.584 -0.091 0.000 1.062 378 A CA -0.352 51.558 52.037 -0.211 0.000 0.686 378 A CB 2.098 20.997 19.000 -0.169 0.000 1.282 378 A HN 0.871 nan 8.150 nan 0.000 0.404 379 Q N 0.495 120.255 119.800 -0.068 0.000 2.426 379 Q HA 0.607 4.946 4.340 -0.000 0.000 0.278 379 Q C -0.421 175.553 176.000 -0.043 0.000 1.007 379 Q CA 0.420 56.191 55.803 -0.054 0.000 0.850 379 Q CB 2.035 30.732 28.738 -0.068 0.000 1.427 379 Q HN 2.644 nan 8.270 nan 0.000 0.391 380 G N 2.629 111.404 108.800 -0.042 0.000 2.315 380 G HA2 0.004 3.964 3.960 -0.000 0.000 0.296 380 G HA3 0.004 3.964 3.960 -0.000 0.000 0.296 380 G C -2.543 172.334 174.900 -0.038 0.000 1.289 380 G CA -0.034 45.035 45.100 -0.050 0.000 0.996 380 G HN 0.392 nan 8.290 nan 0.000 0.487 381 P HA 0.057 nan 4.420 nan 0.000 0.220 381 P C 0.392 177.727 177.300 0.058 0.000 1.148 381 P CA 1.599 64.683 63.100 -0.027 0.000 0.803 381 P CB 0.159 31.764 31.700 -0.158 0.000 0.782 382 D N -0.887 119.560 120.400 0.079 0.000 2.431 382 D HA 0.214 4.854 4.640 -0.000 0.000 0.213 382 D C 0.599 176.923 176.300 0.040 0.000 1.130 382 D CA 0.108 54.156 54.000 0.080 0.000 0.834 382 D CB 0.843 41.711 40.800 0.112 0.000 0.985 382 D HN 0.242 nan 8.370 nan 0.000 0.504 383 L N 0.715 121.953 121.223 0.025 0.000 2.334 383 L HA 0.546 4.886 4.340 -0.000 0.000 0.273 383 L C 0.494 177.368 176.870 0.006 0.000 1.013 383 L CA -0.954 53.897 54.840 0.017 0.000 0.816 383 L CB 1.862 43.931 42.059 0.017 0.000 1.278 383 L HN -0.173 nan 8.230 nan 0.000 0.431 384 A N 2.092 124.914 122.820 0.005 0.000 2.429 384 A HA 0.399 4.719 4.320 -0.000 0.000 0.242 384 A C -0.419 177.159 177.584 -0.010 0.000 1.088 384 A CA 0.029 52.064 52.037 -0.003 0.000 0.784 384 A CB 0.233 19.230 19.000 -0.005 0.000 1.038 384 A HN 0.744 nan 8.150 nan 0.000 0.501 385 Q N -0.896 118.895 119.800 -0.015 0.000 2.345 385 Q HA 0.542 4.882 4.340 -0.000 0.000 0.268 385 Q C 0.718 176.706 176.000 -0.020 0.000 1.054 385 Q CA -0.270 55.519 55.803 -0.023 0.000 0.835 385 Q CB 1.779 30.501 28.738 -0.026 0.000 1.339 385 Q HN 1.664 nan 8.270 nan 0.000 0.447 386 G N 1.244 110.029 108.800 -0.025 0.000 2.175 386 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.265 386 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.265 386 G C 0.041 174.936 174.900 -0.009 0.000 0.979 386 G CA 0.900 45.990 45.100 -0.017 0.000 0.663 386 G HN 0.428 nan 8.290 nan 0.000 0.533 387 K N 0.395 120.790 120.400 -0.008 0.000 2.110 387 K HA 0.607 4.927 4.320 -0.000 0.000 0.263 387 K C -0.438 176.163 176.600 0.002 0.000 0.975 387 K CA -0.253 56.031 56.287 -0.005 0.000 0.895 387 K CB 0.835 33.330 32.500 -0.009 0.000 1.060 387 K HN 0.044 nan 8.250 nan 0.000 0.448 388 T N 3.999 118.551 114.554 -0.004 0.000 2.792 388 T HA 0.395 4.745 4.350 -0.000 0.000 0.280 388 T C -0.474 174.207 174.700 -0.032 0.000 0.990 388 T CA -0.696 61.402 62.100 -0.004 0.000 0.960 388 T CB 0.608 69.477 68.868 0.001 0.000 0.939 388 T HN 0.375 nan 8.240 nan 0.000 0.439 389 L N 4.092 125.285 121.223 -0.049 0.000 2.344 389 L HA 0.515 4.854 4.340 -0.000 0.000 0.272 389 L C -2.173 174.609 176.870 -0.146 0.000 1.035 389 L CA -2.604 52.167 54.840 -0.115 0.000 0.807 389 L CB 0.773 42.717 42.059 -0.192 0.000 1.237 389 L HN 0.320 nan 8.230 nan 0.000 0.442 390 P HA -0.002 nan 4.420 nan 0.000 0.270 390 P C -0.042 177.015 177.300 -0.406 0.000 1.227 390 P CA -0.233 62.724 63.100 -0.238 0.000 0.788 390 P CB 0.319 31.921 31.700 -0.164 0.000 0.926 391 G N 0.525 108.813 108.800 -0.853 0.000 2.391 391 G HA2 0.374 4.333 3.960 -0.000 0.000 0.234 391 G HA3 0.374 4.333 3.960 -0.000 0.000 0.234 391 G C -0.605 173.932 174.900 -0.604 0.000 1.284 391 G CA -0.003 44.066 45.100 -1.718 0.000 0.873 391 G HN 0.557 nan 8.290 nan 0.000 0.549 392 F N -0.649 118.982 119.950 -0.531 0.000 2.923 392 F HA 0.681 5.208 4.527 -0.000 0.000 0.323 392 F C -1.406 174.417 175.800 0.038 0.000 1.189 392 F CA -1.530 56.370 58.000 -0.167 0.000 0.930 392 F CB 1.363 40.236 39.000 -0.211 0.000 1.414 392 F HN 0.381 nan 8.300 nan 0.000 0.496 393 D N 0.999 121.268 120.400 -0.218 0.000 2.217 393 D HA 0.231 4.870 4.640 -0.000 0.000 0.243 393 D C 0.681 176.815 176.300 -0.276 0.000 1.054 393 D CA -0.360 53.533 54.000 -0.178 0.000 0.838 393 D CB 1.256 42.082 40.800 0.044 0.000 1.162 393 D HN 0.633 nan 8.370 nan 0.000 0.472 394 N N 2.371 120.941 118.700 -0.217 0.000 2.443 394 N HA -0.174 4.566 4.740 -0.000 0.000 0.184 394 N C 1.522 177.068 175.510 0.060 0.000 1.037 394 N CA 1.397 54.382 53.050 -0.108 0.000 0.896 394 N CB -0.578 37.896 38.487 -0.022 0.000 0.959 394 N HN 0.322 nan 8.380 nan 0.000 0.442 395 V N -2.470 117.487 119.914 0.073 0.000 2.867 395 V HA -0.092 4.028 4.120 -0.000 0.000 0.260 395 V C 0.987 177.174 176.094 0.156 0.000 1.099 395 V CA 1.804 64.169 62.300 0.107 0.000 1.122 395 V CB -0.562 31.311 31.823 0.084 0.000 0.708 395 V HN 0.002 nan 8.190 nan 0.000 0.490 396 D N 0.371 120.891 120.400 0.200 0.000 2.355 396 D HA 0.074 4.714 4.640 -0.000 0.000 0.218 396 D C 2.078 178.516 176.300 0.230 0.000 1.004 396 D CA 0.764 54.901 54.000 0.229 0.000 0.880 396 D CB 0.529 41.504 40.800 0.292 0.000 0.911 396 D HN 0.477 nan 8.370 nan 0.000 0.528 397 V N 0.614 120.700 119.914 0.285 0.000 2.427 397 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 397 V C 2.173 178.392 176.094 0.208 0.000 1.051 397 V CA 1.108 63.569 62.300 0.268 0.000 1.048 397 V CB -0.713 31.323 31.823 0.354 0.000 0.666 397 V HN 0.177 nan 8.190 nan 0.000 0.456 398 Y N 1.809 122.159 120.300 0.083 0.000 2.151 398 Y HA -0.321 4.229 4.550 -0.000 0.000 0.284 398 Y C 2.387 178.295 175.900 0.014 0.000 1.166 398 Y CA 1.785 59.901 58.100 0.026 0.000 1.163 398 Y CB -0.480 37.980 38.460 0.000 0.000 0.974 398 Y HN 0.162 nan 8.280 nan 0.000 0.511 399 A N -0.134 122.730 122.820 0.073 0.000 1.933 399 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 399 A C 2.158 179.692 177.584 -0.084 0.000 1.175 399 A CA 1.680 53.699 52.037 -0.030 0.000 0.628 399 A CB -1.106 17.926 19.000 0.054 0.000 0.814 399 A HN 0.580 nan 8.150 nan 0.000 0.444 400 L N -0.718 120.483 121.223 -0.036 0.000 2.044 400 L HA -0.071 4.268 4.340 -0.000 0.000 0.205 400 L C 2.435 179.281 176.870 -0.041 0.000 1.075 400 L CA 1.954 56.781 54.840 -0.022 0.000 0.747 400 L CB -0.498 41.579 42.059 0.030 0.000 0.903 400 L HN 0.398 nan 8.230 nan 0.000 0.435 401 M N -0.965 118.601 119.600 -0.056 0.000 2.080 401 M HA -0.221 4.259 4.480 -0.000 0.000 0.260 401 M C 2.310 178.497 176.300 -0.188 0.000 1.068 401 M CA 2.031 57.272 55.300 -0.098 0.000 1.109 401 M CB -0.618 31.923 32.600 -0.098 0.000 1.342 401 M HN 0.313 nan 8.290 nan 0.000 0.405 402 S N 0.003 115.497 115.700 -0.343 0.000 2.374 402 S HA -0.201 4.269 4.470 -0.000 0.000 0.227 402 S C 1.811 176.304 174.600 -0.179 0.000 1.037 402 S CA 1.598 59.591 58.200 -0.345 0.000 1.024 402 S CB -0.525 62.381 63.200 -0.489 0.000 0.861 402 S HN 0.414 nan 8.310 nan 0.000 0.456 403 R N 1.051 121.469 120.500 -0.135 0.000 2.080 403 R HA -0.048 4.291 4.340 -0.000 0.000 0.236 403 R C 2.202 178.467 176.300 -0.057 0.000 1.137 403 R CA 1.407 57.460 56.100 -0.079 0.000 0.943 403 R CB -0.465 29.801 30.300 -0.057 0.000 0.846 403 R HN 0.356 nan 8.270 nan 0.000 0.431 404 L N 0.690 121.885 121.223 -0.045 0.000 2.131 404 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 404 L C 2.049 178.908 176.870 -0.019 0.000 1.092 404 L CA 0.931 55.761 54.840 -0.016 0.000 0.759 404 L CB -0.145 41.916 42.059 0.005 0.000 0.903 404 L HN 0.314 nan 8.230 nan 0.000 0.435 405 L N -0.621 120.574 121.223 -0.046 0.000 2.591 405 L HA 0.180 4.519 4.340 -0.000 0.000 0.228 405 L C 1.378 178.216 176.870 -0.052 0.000 1.133 405 L CA 0.328 55.141 54.840 -0.045 0.000 0.880 405 L CB -0.376 41.644 42.059 -0.065 0.000 1.033 405 L HN 0.395 nan 8.230 nan 0.000 0.450 406 G N 2.009 110.774 108.800 -0.058 0.000 2.249 406 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.273 406 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.273 406 G C 0.183 175.048 174.900 -0.059 0.000 1.036 406 G CA 0.724 45.791 45.100 -0.055 0.000 0.824 406 G HN 0.525 nan 8.290 nan 0.000 0.504 407 I N -2.571 117.953 120.570 -0.076 0.000 2.648 407 I HA 0.787 4.957 4.170 -0.000 0.000 0.304 407 I C -2.135 173.939 176.117 -0.072 0.000 1.009 407 I CA -3.374 57.883 61.300 -0.072 0.000 1.114 407 I CB 2.127 40.077 38.000 -0.083 0.000 1.293 407 I HN -0.097 nan 8.210 nan 0.000 0.449 408 P HA 0.124 nan 4.420 nan 0.000 0.271 408 P C -0.370 176.922 177.300 -0.014 0.000 1.226 408 P CA -0.045 63.040 63.100 -0.026 0.000 0.765 408 P CB 0.970 32.665 31.700 -0.009 0.000 0.835 409 A N 3.921 126.736 122.820 -0.007 0.000 2.484 409 A HA 0.431 4.750 4.320 -0.000 0.000 0.268 409 A C 0.937 178.626 177.584 0.175 0.000 1.114 409 A CA -0.178 51.907 52.037 0.081 0.000 0.780 409 A CB -0.540 18.510 19.000 0.083 0.000 1.061 409 A HN 0.687 nan 8.150 nan 0.000 0.505 410 A N 4.897 127.876 122.820 0.266 0.000 2.406 410 A HA 0.548 4.868 4.320 -0.000 0.000 0.243 410 A C -2.158 175.475 177.584 0.081 0.000 1.082 410 A CA -1.109 51.006 52.037 0.131 0.000 0.786 410 A CB -0.563 18.485 19.000 0.080 0.000 1.029 410 A HN 0.660 nan 8.150 nan 0.000 0.495 411 P HA 0.199 nan 4.420 nan 0.000 0.265 411 P C -0.670 176.605 177.300 -0.041 0.000 1.193 411 P CA 0.342 63.445 63.100 0.005 0.000 0.765 411 P CB 0.286 31.983 31.700 -0.006 0.000 0.823 412 N N -0.133 118.555 118.700 -0.020 0.000 3.179 412 N HA 0.282 5.021 4.740 -0.000 0.000 0.250 412 N C -0.854 174.673 175.510 0.029 0.000 1.507 412 N CA -0.764 52.255 53.050 -0.052 0.000 0.883 412 N CB 0.470 38.847 38.487 -0.183 0.000 1.435 412 N HN -0.016 nan 8.380 nan 0.000 0.532 413 D N -1.092 119.338 120.400 0.049 0.000 2.363 413 D HA 0.215 4.854 4.640 -0.000 0.000 0.214 413 D C 0.427 176.774 176.300 0.078 0.000 1.093 413 D CA 0.147 54.200 54.000 0.088 0.000 0.837 413 D CB 0.078 40.944 40.800 0.110 0.000 0.948 413 D HN 0.573 nan 8.370 nan 0.000 0.507 414 G N 0.361 109.210 108.800 0.081 0.000 2.528 414 G HA2 0.144 4.104 3.960 -0.000 0.000 0.289 414 G HA3 0.144 4.104 3.960 -0.000 0.000 0.289 414 G C 0.004 174.958 174.900 0.090 0.000 1.192 414 G CA -0.409 44.752 45.100 0.103 0.000 0.921 414 G HN -0.059 nan 8.290 nan 0.000 0.512 415 N N 0.687 119.439 118.700 0.086 0.000 2.426 415 N HA 0.284 5.024 4.740 -0.000 0.000 0.257 415 N C -1.515 174.022 175.510 0.046 0.000 1.002 415 N CA -2.046 51.040 53.050 0.060 0.000 0.942 415 N CB 2.033 40.551 38.487 0.051 0.000 1.112 415 N HN -0.027 nan 8.380 nan 0.000 0.499 416 P HA -0.071 nan 4.420 nan 0.000 0.218 416 P C 0.767 178.060 177.300 -0.011 0.000 1.148 416 P CA 0.993 64.104 63.100 0.019 0.000 0.822 416 P CB 0.283 31.994 31.700 0.019 0.000 0.784 417 A N -0.812 122.000 122.820 -0.012 0.000 1.930 417 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 417 A C 2.221 179.766 177.584 -0.064 0.000 1.175 417 A CA 2.140 54.158 52.037 -0.031 0.000 0.627 417 A CB -1.837 17.151 19.000 -0.020 0.000 0.815 417 A HN 0.149 nan 8.150 nan 0.000 0.443 418 T N 0.508 115.021 114.554 -0.069 0.000 2.653 418 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 418 T C 1.477 176.028 174.700 -0.247 0.000 1.035 418 T CA 1.701 63.721 62.100 -0.133 0.000 1.154 418 T CB -0.335 68.472 68.868 -0.101 0.000 0.862 418 T HN 0.361 nan 8.240 nan 0.000 0.441 419 L N 0.573 121.644 121.223 -0.253 0.000 2.628 419 L HA 0.273 4.612 4.340 -0.000 0.000 0.229 419 L C 1.848 178.617 176.870 -0.169 0.000 1.137 419 L CA -0.071 54.579 54.840 -0.318 0.000 0.909 419 L CB -0.293 41.546 42.059 -0.367 0.000 1.137 419 L HN 0.254 nan 8.230 nan 0.000 0.470 420 L N 0.253 121.406 121.223 -0.117 0.000 2.083 420 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 420 L C -0.139 176.691 176.870 -0.067 0.000 1.083 420 L CA 1.221 56.018 54.840 -0.073 0.000 0.752 420 L CB -1.888 40.138 42.059 -0.055 0.000 0.899 420 L HN 0.248 nan 8.230 nan 0.000 0.433 421 P HA -0.204 nan 4.420 nan 0.000 0.218 421 P C 1.495 178.760 177.300 -0.059 0.000 1.146 421 P CA 1.699 64.755 63.100 -0.073 0.000 0.813 421 P CB -0.004 31.638 31.700 -0.098 0.000 0.778 422 A N -1.124 121.655 122.820 -0.068 0.000 2.019 422 A HA -0.094 4.225 4.320 -0.000 0.000 0.219 422 A C 1.137 178.726 177.584 0.007 0.000 1.164 422 A CA 0.791 52.822 52.037 -0.011 0.000 0.644 422 A CB -1.221 17.795 19.000 0.027 0.000 0.805 422 A HN 0.145 nan 8.150 nan 0.000 0.449 423 L N -1.033 120.185 121.223 -0.008 0.000 2.439 423 L HA 0.187 4.527 4.340 -0.000 0.000 0.269 423 L C 1.800 178.669 176.870 -0.002 0.000 1.179 423 L CA -0.409 54.431 54.840 -0.000 0.000 0.828 423 L CB 0.435 42.489 42.059 -0.008 0.000 1.106 423 L HN 0.380 nan 8.230 nan 0.000 0.467 424 R N 1.312 121.815 120.500 0.005 0.000 2.091 424 R HA -0.120 4.220 4.340 -0.000 0.000 0.238 424 R C 0.445 176.743 176.300 -0.002 0.000 1.136 424 R CA 1.568 57.670 56.100 0.003 0.000 0.959 424 R CB 0.140 30.446 30.300 0.011 0.000 0.856 424 R HN 0.580 nan 8.270 nan 0.000 0.437 425 M N 0.000 119.598 119.600 -0.003 0.000 2.572 425 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 425 M CA 0.000 55.295 55.300 -0.007 0.000 0.988 425 M CB 0.000 32.597 32.600 -0.005 0.000 1.302 425 M HN 0.000 nan 8.290 nan 0.000 0.411