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 3kjs_1_A DATA FIRST_RESID 2 DATA SEQUENCE SLFKIRMPET VAEGTRLALR AFSLVVAVDE RGGIGDGRSI PWNVPEDMKF DATA SEQUENCE FRDVTTKLRG KNVKPSPAKR NAVVMGRKTW DSIPPKFRPL PGRLNVVLSS DATA SEQUENCE TLTTQHLXXX XXXXXXXXXX XDSIVAVNGG LEQALQLLAS PNYTPSIETV DATA SEQUENCE YCIGGGSVYA EALRPPCVHL LQAIYRTTIR ASESSCSVFF RVPESGTEAA DATA SEQUENCE AGIEWQRETI SEELTSANGN ETKYYFEKLI PRNREEEQYL SLVDRIIREG DATA SEQUENCE NVKHDRTGVG TLSIFGAQMR FSLRNNRLPL LTTKRVFWRG VCEELLWFLR DATA SEQUENCE GETYAKKLSD KGVHIWDDNG SRAFLDSRGL TEYEEMDLGP VYGFQWRHFG DATA SEQUENCE AAYTHHDANY DGQGVDQIKA IVETLKTNPD DRRMLFTAWN PSALPRMALP DATA SEQUENCE PCHLLAQFYV SNGELSCMLY QRSCDMGLGV PFNIASYALL TILIAKATGL DATA SEQUENCE RPGELVHTLG DAHVYSNHVE PCNEQLKRVP RAFPYLVFRR EREFLEDYEE DATA SEQUENCE GDMEVIDYAP YPPI 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.407 174.600 -0.321 0.000 1.055 2 S CA 0.000 57.997 58.200 -0.338 0.000 1.107 2 S CB 0.000 63.083 63.200 -0.196 0.000 0.593 3 L N 0.913 122.027 121.223 -0.180 0.000 2.362 3 L HA 0.203 4.543 4.340 -0.001 0.000 0.219 3 L C 0.902 177.466 176.870 -0.509 0.000 1.134 3 L CA 1.783 56.422 54.840 -0.334 0.000 0.807 3 L CB -0.435 41.370 42.059 -0.423 0.000 0.927 3 L HN 0.668 nan 8.230 nan 0.000 0.447 4 F N -1.375 118.526 119.950 -0.082 0.000 2.654 4 F HA 0.243 4.769 4.527 -0.001 0.000 0.303 4 F C 1.140 176.910 175.800 -0.051 0.000 1.099 4 F CA -0.502 57.474 58.000 -0.040 0.000 1.270 4 F CB -0.089 38.908 39.000 -0.006 0.000 1.024 4 F HN -0.190 nan 8.300 nan 0.000 0.548 5 K N 0.649 121.046 120.400 -0.005 0.000 2.127 5 K HA 0.536 4.855 4.320 -0.001 0.000 0.240 5 K C -0.277 176.393 176.600 0.117 0.000 1.024 5 K CA -0.620 55.660 56.287 -0.011 0.000 0.918 5 K CB 1.261 33.602 32.500 -0.265 0.000 1.108 5 K HN -0.039 nan 8.250 nan 0.000 0.485 6 I N 1.920 122.610 120.570 0.201 0.000 2.312 6 I HA 0.213 4.382 4.170 -0.001 0.000 0.290 6 I C 0.292 176.595 176.117 0.309 0.000 1.008 6 I CA -0.539 60.882 61.300 0.202 0.000 1.226 6 I CB 1.188 39.253 38.000 0.108 0.000 1.371 6 I HN 0.395 nan 8.210 nan 0.000 0.468 7 R N 6.756 127.404 120.500 0.246 0.000 2.442 7 R HA 0.285 4.625 4.340 -0.001 0.000 0.291 7 R C -0.227 176.043 176.300 -0.050 0.000 1.069 7 R CA -0.517 55.591 56.100 0.014 0.000 1.022 7 R CB 0.624 30.899 30.300 -0.041 0.000 0.976 7 R HN 0.488 nan 8.270 nan 0.000 0.443 8 M N 4.700 124.226 119.600 -0.124 0.000 2.228 8 M HA 0.277 4.756 4.480 -0.001 0.000 0.326 8 M C -1.828 174.417 176.300 -0.093 0.000 1.122 8 M CA -2.343 52.914 55.300 -0.071 0.000 1.161 8 M CB 0.183 32.763 32.600 -0.034 0.000 1.437 8 M HN 0.475 nan 8.290 nan 0.000 0.465 9 P HA 0.217 nan 4.420 nan 0.000 0.270 9 P C 0.679 177.937 177.300 -0.070 0.000 1.223 9 P CA 0.128 63.189 63.100 -0.065 0.000 0.785 9 P CB 0.211 31.878 31.700 -0.055 0.000 0.923 10 E N 0.071 120.234 120.200 -0.063 0.000 2.274 10 E HA 0.015 4.365 4.350 -0.001 0.000 0.194 10 E C 0.511 177.083 176.600 -0.046 0.000 0.996 10 E CA 1.141 57.506 56.400 -0.059 0.000 0.840 10 E CB -0.545 29.124 29.700 -0.052 0.000 0.772 10 E HN 0.588 nan 8.360 nan 0.000 0.491 11 T N -0.410 114.119 114.554 -0.041 0.000 2.909 11 T HA 0.520 4.869 4.350 -0.001 0.000 0.299 11 T C 0.207 174.886 174.700 -0.035 0.000 1.073 11 T CA -0.104 61.977 62.100 -0.033 0.000 0.999 11 T CB 1.629 70.481 68.868 -0.026 0.000 1.098 11 T HN 0.596 nan 8.240 nan 0.000 0.477 12 V N 0.483 120.380 119.914 -0.029 0.000 2.963 12 V HA 0.686 4.805 4.120 -0.001 0.000 0.306 12 V C 0.808 176.887 176.094 -0.025 0.000 1.077 12 V CA -1.042 61.240 62.300 -0.031 0.000 1.124 12 V CB -0.520 31.291 31.823 -0.020 0.000 0.987 12 V HN 1.140 nan 8.190 nan 0.000 0.487 13 A N 3.243 126.047 122.820 -0.027 0.000 2.483 13 A HA 0.291 4.611 4.320 -0.001 0.000 0.238 13 A C 0.695 178.275 177.584 -0.008 0.000 1.070 13 A CA 0.027 52.052 52.037 -0.019 0.000 0.770 13 A CB -0.284 18.705 19.000 -0.018 0.000 1.008 13 A HN 1.211 nan 8.150 nan 0.000 0.497 14 E N 1.337 121.534 120.200 -0.006 0.000 2.480 14 E HA 0.356 4.706 4.350 -0.001 0.000 0.258 14 E C 0.875 177.479 176.600 0.007 0.000 0.984 14 E CA 0.124 56.524 56.400 0.000 0.000 0.930 14 E CB 0.109 29.808 29.700 -0.001 0.000 0.936 14 E HN 1.641 nan 8.360 nan 0.000 0.466 15 G N 3.227 112.034 108.800 0.011 0.000 2.254 15 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.225 15 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.225 15 G C 0.408 175.322 174.900 0.023 0.000 1.003 15 G CA 0.005 45.116 45.100 0.018 0.000 0.622 15 G HN 1.040 nan 8.290 nan 0.000 0.507 16 T N 1.073 115.640 114.554 0.020 0.000 2.822 16 T HA 0.432 4.782 4.350 -0.001 0.000 0.288 16 T C 0.749 175.466 174.700 0.028 0.000 0.991 16 T CA 0.304 62.420 62.100 0.027 0.000 1.176 16 T CB 0.909 69.789 68.868 0.020 0.000 0.951 16 T HN 0.625 nan 8.240 nan 0.000 0.526 17 R N 1.931 122.452 120.500 0.035 0.000 2.637 17 R HA 0.450 4.790 4.340 -0.001 0.000 0.269 17 R C 0.490 176.805 176.300 0.025 0.000 1.089 17 R CA -0.844 55.272 56.100 0.026 0.000 1.177 17 R CB 0.602 30.916 30.300 0.022 0.000 1.091 17 R HN 0.608 nan 8.270 nan 0.000 0.540 18 L N 1.067 122.299 121.223 0.015 0.000 2.418 18 L HA 0.265 4.605 4.340 -0.001 0.000 0.265 18 L C 0.090 176.960 176.870 -0.000 0.000 1.143 18 L CA -0.165 54.684 54.840 0.014 0.000 0.809 18 L CB 1.181 43.245 42.059 0.008 0.000 1.124 18 L HN 0.717 nan 8.230 nan 0.000 0.456 19 A N 4.588 127.412 122.820 0.007 0.000 2.498 19 A HA 0.427 4.747 4.320 -0.001 0.000 0.239 19 A C -0.728 176.829 177.584 -0.045 0.000 1.068 19 A CA 0.201 52.231 52.037 -0.013 0.000 0.766 19 A CB -0.129 18.880 19.000 0.015 0.000 1.003 19 A HN 0.617 nan 8.150 nan 0.000 0.497 20 L N 2.878 124.044 121.223 -0.096 0.000 2.436 20 L HA 0.400 4.739 4.340 -0.001 0.000 0.268 20 L C 0.020 176.833 176.870 -0.096 0.000 0.974 20 L CA -0.947 53.833 54.840 -0.101 0.000 0.826 20 L CB 1.753 43.738 42.059 -0.124 0.000 1.291 20 L HN 0.678 nan 8.230 nan 0.000 0.406 21 R N 1.740 122.218 120.500 -0.037 0.000 2.643 21 R HA 0.475 4.814 4.340 -0.001 0.000 0.270 21 R C -0.003 176.351 176.300 0.090 0.000 1.061 21 R CA -0.251 55.859 56.100 0.016 0.000 1.107 21 R CB 1.018 31.328 30.300 0.017 0.000 0.999 21 R HN 0.699 nan 8.270 nan 0.000 0.460 22 A N 3.125 126.022 122.820 0.128 0.000 2.351 22 A HA 0.524 4.843 4.320 -0.001 0.000 0.257 22 A C -0.296 177.442 177.584 0.256 0.000 1.087 22 A CA -0.190 51.969 52.037 0.204 0.000 0.798 22 A CB 0.116 19.213 19.000 0.162 0.000 1.033 22 A HN 0.593 nan 8.150 nan 0.000 0.488 23 F N -0.793 119.168 119.950 0.019 0.000 2.643 23 F HA 0.800 5.327 4.527 -0.001 0.000 0.314 23 F C -0.335 175.481 175.800 0.027 0.000 1.096 23 F CA -1.098 56.890 58.000 -0.019 0.000 0.953 23 F CB 0.990 39.993 39.000 0.005 0.000 1.345 23 F HN 0.340 nan 8.300 nan 0.000 0.468 24 S N 1.583 117.251 115.700 -0.054 0.000 2.578 24 S HA 0.713 5.182 4.470 -0.001 0.000 0.301 24 S C -1.206 173.567 174.600 0.288 0.000 1.091 24 S CA -0.733 57.484 58.200 0.028 0.000 1.032 24 S CB 1.734 65.041 63.200 0.179 0.000 1.064 24 S HN 0.826 nan 8.310 nan 0.000 0.508 25 L N 2.982 124.372 121.223 0.280 0.000 2.307 25 L HA 0.712 5.051 4.340 -0.001 0.000 0.284 25 L C -1.498 175.607 176.870 0.391 0.000 1.023 25 L CA -0.512 54.545 54.840 0.362 0.000 0.810 25 L CB 1.044 43.243 42.059 0.234 0.000 1.231 25 L HN 0.408 nan 8.230 nan 0.000 0.423 26 V N 5.641 125.804 119.914 0.414 0.000 2.495 26 V HA 0.668 4.787 4.120 -0.001 0.000 0.298 26 V C -0.568 175.682 176.094 0.260 0.000 1.031 26 V CA -0.601 61.927 62.300 0.381 0.000 0.871 26 V CB 1.783 33.833 31.823 0.380 0.000 0.988 26 V HN 0.548 nan 8.190 nan 0.000 0.432 27 V N 3.530 123.518 119.914 0.124 0.000 3.048 27 V HA 0.922 5.042 4.120 -0.001 0.000 0.303 27 V C -0.848 175.277 176.094 0.051 0.000 1.214 27 V CA -0.143 62.108 62.300 -0.081 0.000 0.984 27 V CB 2.417 33.785 31.823 -0.759 0.000 1.054 27 V HN 1.179 nan 8.190 nan 0.000 0.430 28 A N 5.185 128.061 122.820 0.093 0.000 2.318 28 A HA 0.893 5.212 4.320 -0.001 0.000 0.317 28 A C -0.716 177.002 177.584 0.223 0.000 1.159 28 A CA -0.109 52.025 52.037 0.162 0.000 0.799 28 A CB 1.436 20.618 19.000 0.303 0.000 1.194 28 A HN 1.900 nan 8.150 nan 0.000 0.479 29 V N 0.472 120.412 119.914 0.043 0.000 3.001 29 V HA 0.818 4.937 4.120 -0.001 0.000 0.314 29 V C -0.365 175.583 176.094 -0.243 0.000 1.099 29 V CA -0.824 61.515 62.300 0.065 0.000 0.989 29 V CB 1.741 33.623 31.823 0.098 0.000 1.040 29 V HN 0.927 nan 8.190 nan 0.000 0.434 30 D N 0.871 121.180 120.400 -0.151 0.000 2.478 30 D HA 0.236 4.876 4.640 -0.001 0.000 0.269 30 D C 0.717 176.971 176.300 -0.078 0.000 1.232 30 D CA -0.186 53.673 54.000 -0.234 0.000 1.059 30 D CB 0.618 41.371 40.800 -0.077 0.000 1.104 30 D HN 0.668 nan 8.370 nan 0.000 0.566 31 E N -1.275 118.892 120.200 -0.056 0.000 2.268 31 E HA -0.066 4.284 4.350 -0.001 0.000 0.195 31 E C 1.471 178.096 176.600 0.043 0.000 0.995 31 E CA 0.561 56.956 56.400 -0.009 0.000 0.836 31 E CB 0.016 29.713 29.700 -0.005 0.000 0.763 31 E HN 0.328 nan 8.360 nan 0.000 0.491 32 R N -0.444 120.112 120.500 0.094 0.000 2.334 32 R HA 0.120 4.459 4.340 -0.001 0.000 0.220 32 R C 0.851 177.291 176.300 0.234 0.000 0.917 32 R CA 0.440 56.623 56.100 0.139 0.000 1.073 32 R CB 0.692 31.099 30.300 0.179 0.000 1.056 32 R HN 0.174 nan 8.270 nan 0.000 0.506 33 G N 0.516 109.445 108.800 0.214 0.000 2.136 33 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.242 33 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.242 33 G C 0.339 175.478 174.900 0.399 0.000 0.989 33 G CA -0.134 45.132 45.100 0.277 0.000 0.682 33 G HN 0.506 nan 8.290 nan 0.000 0.522 34 G N -0.310 108.674 108.800 0.306 0.000 2.432 34 G HA2 0.631 4.590 3.960 -0.001 0.000 0.257 34 G HA3 0.631 4.590 3.960 -0.001 0.000 0.257 34 G C 1.057 176.044 174.900 0.145 0.000 1.238 34 G CA -0.079 45.001 45.100 -0.033 0.000 0.838 34 G HN 1.236 nan 8.290 nan 0.000 0.547 35 I N -0.302 120.264 120.570 -0.008 0.000 4.456 35 I HA 0.607 4.776 4.170 -0.001 0.000 0.329 35 I C 0.669 176.676 176.117 -0.184 0.000 1.313 35 I CA -0.023 61.320 61.300 0.071 0.000 1.205 35 I CB 0.837 38.914 38.000 0.128 0.000 1.179 35 I HN 0.693 nan 8.210 nan 0.000 0.419 36 G N 1.575 110.227 108.800 -0.246 0.000 2.368 36 G HA2 0.201 4.160 3.960 -0.001 0.000 0.293 36 G HA3 0.201 4.160 3.960 -0.001 0.000 0.293 36 G C -1.210 173.551 174.900 -0.233 0.000 1.467 36 G CA 0.145 45.074 45.100 -0.286 0.000 0.804 36 G HN 0.185 nan 8.290 nan 0.000 0.535 37 D N -1.501 118.781 120.400 -0.197 0.000 2.340 37 D HA 0.370 5.010 4.640 -0.001 0.000 0.220 37 D C 1.676 177.915 176.300 -0.102 0.000 1.039 37 D CA 1.155 55.072 54.000 -0.138 0.000 0.866 37 D CB 0.428 41.158 40.800 -0.116 0.000 0.913 37 D HN 1.831 nan 8.370 nan 0.000 0.523 38 G N -1.089 107.648 108.800 -0.106 0.000 2.231 38 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.206 38 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.206 38 G C 1.277 176.135 174.900 -0.070 0.000 0.996 38 G CA 0.330 45.387 45.100 -0.072 0.000 0.645 38 G HN 0.742 nan 8.290 nan 0.000 0.498 39 R N -0.634 119.813 120.500 -0.089 0.000 2.635 39 R HA 0.813 5.152 4.340 -0.001 0.000 0.241 39 R C 1.091 177.323 176.300 -0.112 0.000 0.941 39 R CA 2.210 58.259 56.100 -0.084 0.000 1.014 39 R CB 0.160 30.419 30.300 -0.069 0.000 1.517 39 R HN 2.153 nan 8.270 nan 0.000 0.594 40 S N -1.150 114.461 115.700 -0.148 0.000 2.643 40 S HA 0.673 5.143 4.470 -0.001 0.000 0.270 40 S C -1.250 173.180 174.600 -0.283 0.000 1.166 40 S CA -0.609 57.476 58.200 -0.191 0.000 0.815 40 S CB 0.975 64.074 63.200 -0.168 0.000 1.139 40 S HN 0.265 nan 8.310 nan 0.000 0.472 41 I N 2.602 122.949 120.570 -0.371 0.000 2.304 41 I HA 0.335 4.504 4.170 -0.001 0.000 0.291 41 I C -1.212 174.515 176.117 -0.651 0.000 1.018 41 I CA -2.305 58.606 61.300 -0.647 0.000 1.260 41 I CB 1.802 39.366 38.000 -0.726 0.000 1.390 41 I HN 0.633 nan 8.210 nan 0.000 0.475 42 P HA -0.122 nan 4.420 nan 0.000 0.216 42 P C 0.106 177.289 177.300 -0.197 0.000 1.153 42 P CA 1.132 64.036 63.100 -0.327 0.000 0.848 42 P CB -0.069 31.520 31.700 -0.186 0.000 0.787 43 W N 1.311 122.580 121.300 -0.053 0.000 2.086 43 W HA 0.487 5.147 4.660 -0.000 0.000 0.355 43 W C -0.176 176.309 176.519 -0.056 0.000 1.313 43 W CA -0.837 56.477 57.345 -0.052 0.000 1.358 43 W CB -0.751 28.675 29.460 -0.057 0.000 1.166 43 W HN -0.170 nan 8.180 nan 0.000 0.630 44 N N 0.577 119.433 118.700 0.261 0.000 2.576 44 N HA 0.386 5.125 4.740 -0.001 0.000 0.269 44 N C -2.264 173.325 175.510 0.130 0.000 1.058 44 N CA -0.676 52.461 53.050 0.144 0.000 0.860 44 N CB 1.303 39.826 38.487 0.059 0.000 1.249 44 N HN 0.388 nan 8.380 nan 0.000 0.525 45 V N 6.196 126.193 119.914 0.137 0.000 2.380 45 V HA 0.364 4.483 4.120 -0.001 0.000 0.272 45 V C -1.651 174.416 176.094 -0.046 0.000 1.011 45 V CA -1.288 60.998 62.300 -0.025 0.000 0.826 45 V CB 1.559 33.288 31.823 -0.158 0.000 1.040 45 V HN 0.555 nan 8.190 nan 0.000 0.441 46 P HA -0.092 nan 4.420 nan 0.000 0.220 46 P C 1.218 178.511 177.300 -0.012 0.000 1.148 46 P CA 0.983 64.074 63.100 -0.014 0.000 0.803 46 P CB 0.516 32.212 31.700 -0.006 0.000 0.782 47 E N -0.665 119.485 120.200 -0.084 0.000 2.150 47 E HA -0.177 4.173 4.350 -0.001 0.000 0.193 47 E C 1.699 178.369 176.600 0.117 0.000 0.985 47 E CA 1.175 57.562 56.400 -0.022 0.000 0.814 47 E CB -0.757 28.846 29.700 -0.162 0.000 0.752 47 E HN 0.345 nan 8.360 nan 0.000 0.466 48 D N -0.609 119.804 120.400 0.021 0.000 2.123 48 D HA -0.137 4.502 4.640 -0.001 0.000 0.200 48 D C 1.669 178.134 176.300 0.274 0.000 0.976 48 D CA 0.950 55.091 54.000 0.235 0.000 0.831 48 D CB 0.141 41.010 40.800 0.115 0.000 0.974 48 D HN -0.054 nan 8.370 nan 0.000 0.469 49 M N 0.661 120.352 119.600 0.153 0.000 2.106 49 M HA -0.138 4.342 4.480 -0.001 0.000 0.259 49 M C 2.175 178.569 176.300 0.157 0.000 1.068 49 M CA 1.388 56.775 55.300 0.144 0.000 1.100 49 M CB -1.111 31.519 32.600 0.049 0.000 1.351 49 M HN 0.132 nan 8.290 nan 0.000 0.404 50 K N -0.598 119.869 120.400 0.113 0.000 2.026 50 K HA -0.191 4.128 4.320 -0.001 0.000 0.208 50 K C 2.098 178.727 176.600 0.048 0.000 1.048 50 K CA 1.353 57.677 56.287 0.061 0.000 0.929 50 K CB -0.311 32.229 32.500 0.066 0.000 0.713 50 K HN 0.186 nan 8.250 nan 0.000 0.439 51 F N 0.981 120.916 119.950 -0.025 0.000 2.102 51 F HA -0.226 4.301 4.527 -0.001 0.000 0.298 51 F C 1.967 177.685 175.800 -0.136 0.000 1.105 51 F CA 1.553 59.456 58.000 -0.161 0.000 1.239 51 F CB -0.514 38.291 39.000 -0.325 0.000 0.991 51 F HN 0.101 nan 8.300 nan 0.000 0.474 52 F N 1.393 121.293 119.950 -0.083 0.000 2.102 52 F HA -0.154 4.372 4.527 -0.001 0.000 0.298 52 F C 2.677 178.293 175.800 -0.306 0.000 1.105 52 F CA 2.168 60.055 58.000 -0.188 0.000 1.239 52 F CB -0.763 38.235 39.000 -0.003 0.000 0.991 52 F HN -0.029 nan 8.300 nan 0.000 0.474 53 R N 0.416 120.716 120.500 -0.332 0.000 2.080 53 R HA -0.187 4.153 4.340 -0.001 0.000 0.236 53 R C 1.971 177.984 176.300 -0.478 0.000 1.137 53 R CA 2.290 58.135 56.100 -0.425 0.000 0.943 53 R CB -0.728 29.462 30.300 -0.183 0.000 0.846 53 R HN 0.252 nan 8.270 nan 0.000 0.431 54 D N 0.001 120.149 120.400 -0.419 0.000 2.097 54 D HA -0.159 4.481 4.640 -0.001 0.000 0.195 54 D C 1.865 177.834 176.300 -0.551 0.000 0.989 54 D CA 1.335 55.089 54.000 -0.410 0.000 0.827 54 D CB -0.396 40.203 40.800 -0.335 0.000 0.966 54 D HN 0.158 nan 8.370 nan 0.000 0.456 55 V N 1.080 120.500 119.914 -0.824 0.000 2.427 55 V HA -0.188 3.932 4.120 -0.001 0.000 0.248 55 V C 2.355 177.848 176.094 -1.001 0.000 1.051 55 V CA 2.548 64.282 62.300 -0.944 0.000 1.048 55 V CB -0.547 30.465 31.823 -1.351 0.000 0.666 55 V HN 0.379 nan 8.190 nan 0.000 0.456 56 T N -4.572 109.334 114.554 -1.080 0.000 3.043 56 T HA -0.074 4.276 4.350 -0.001 0.000 0.263 56 T C 1.660 176.056 174.700 -0.506 0.000 1.094 56 T CA 1.474 62.911 62.100 -1.106 0.000 1.127 56 T CB -0.178 68.072 68.868 -1.029 0.000 0.905 56 T HN 0.458 nan 8.240 nan 0.000 0.490 57 T N 1.081 115.383 114.554 -0.420 0.000 2.953 57 T HA 0.188 4.537 4.350 -0.001 0.000 0.247 57 T C 0.785 175.393 174.700 -0.153 0.000 1.029 57 T CA 0.317 62.276 62.100 -0.235 0.000 1.144 57 T CB 0.015 68.748 68.868 -0.225 0.000 0.870 57 T HN 0.382 nan 8.240 nan 0.000 0.446 58 K N 1.376 121.666 120.400 -0.183 0.000 2.355 58 K HA 0.374 4.693 4.320 -0.001 0.000 0.270 58 K C -0.569 175.996 176.600 -0.059 0.000 1.003 58 K CA -0.020 56.196 56.287 -0.119 0.000 0.957 58 K CB 0.519 32.934 32.500 -0.143 0.000 0.939 58 K HN 0.172 nan 8.250 nan 0.000 0.482 59 L N 2.211 123.411 121.223 -0.037 0.000 2.332 59 L HA 0.378 4.717 4.340 -0.001 0.000 0.269 59 L C 1.586 178.446 176.870 -0.017 0.000 1.016 59 L CA -0.835 53.998 54.840 -0.012 0.000 0.809 59 L CB 1.109 43.163 42.059 -0.009 0.000 1.280 59 L HN 0.546 nan 8.230 nan 0.000 0.447 60 R N 0.798 121.291 120.500 -0.012 0.000 2.152 60 R HA -0.017 4.322 4.340 -0.001 0.000 0.232 60 R C 0.778 177.067 176.300 -0.019 0.000 1.117 60 R CA 0.747 56.836 56.100 -0.019 0.000 0.981 60 R CB -0.423 29.861 30.300 -0.028 0.000 0.870 60 R HN 0.778 nan 8.270 nan 0.000 0.451 61 G N 1.091 109.882 108.800 -0.015 0.000 2.527 61 G HA2 0.316 4.275 3.960 -0.001 0.000 0.248 61 G HA3 0.316 4.275 3.960 -0.001 0.000 0.248 61 G C -0.442 174.449 174.900 -0.013 0.000 1.231 61 G CA -0.448 44.645 45.100 -0.012 0.000 0.838 61 G HN 0.273 nan 8.290 nan 0.000 0.570 62 K N -0.360 120.034 120.400 -0.010 0.000 2.379 62 K HA 0.517 4.837 4.320 -0.001 0.000 0.284 62 K C 1.031 177.624 176.600 -0.012 0.000 1.044 62 K CA 0.690 56.971 56.287 -0.010 0.000 0.974 62 K CB -1.180 31.317 32.500 -0.005 0.000 0.962 62 K HN 2.307 nan 8.250 nan 0.000 0.474 63 N N 0.093 118.783 118.700 -0.016 0.000 2.707 63 N HA -0.101 4.638 4.740 -0.001 0.000 0.253 63 N C 0.141 175.641 175.510 -0.016 0.000 0.998 63 N CA 1.091 54.131 53.050 -0.017 0.000 0.751 63 N CB -2.012 36.467 38.487 -0.013 0.000 0.920 63 N HN 0.980 nan 8.380 nan 0.000 0.539 64 V N -0.467 119.436 119.914 -0.018 0.000 2.439 64 V HA 0.405 4.525 4.120 -0.001 0.000 0.282 64 V C 0.695 176.778 176.094 -0.018 0.000 1.039 64 V CA -0.808 61.483 62.300 -0.014 0.000 0.913 64 V CB 1.740 33.556 31.823 -0.011 0.000 0.983 64 V HN 0.695 nan 8.190 nan 0.000 0.460 65 K N 6.016 126.407 120.400 -0.015 0.000 2.227 65 K HA 0.424 4.743 4.320 -0.001 0.000 0.280 65 K C -2.527 174.065 176.600 -0.013 0.000 1.041 65 K CA -1.602 54.675 56.287 -0.017 0.000 0.905 65 K CB 1.153 33.645 32.500 -0.013 0.000 1.068 65 K HN 0.397 nan 8.250 nan 0.000 0.470 66 P HA 0.019 nan 4.420 nan 0.000 0.267 66 P C -1.242 176.056 177.300 -0.003 0.000 1.205 66 P CA -0.108 62.986 63.100 -0.010 0.000 0.765 66 P CB 1.038 32.727 31.700 -0.019 0.000 0.828 67 S N 2.673 118.375 115.700 0.004 0.000 2.661 67 S HA 0.574 5.043 4.470 -0.001 0.000 0.285 67 S C -2.267 172.341 174.600 0.013 0.000 1.138 67 S CA -1.694 56.510 58.200 0.007 0.000 0.855 67 S CB 1.416 64.618 63.200 0.005 0.000 1.136 67 S HN 0.029 nan 8.310 nan 0.000 0.484 68 P HA -0.066 nan 4.420 nan 0.000 0.218 68 P C 1.418 178.725 177.300 0.011 0.000 1.146 68 P CA 2.002 65.111 63.100 0.014 0.000 0.813 68 P CB -0.211 31.493 31.700 0.008 0.000 0.778 69 A N -1.458 121.367 122.820 0.008 0.000 1.929 69 A HA -0.076 4.244 4.320 -0.001 0.000 0.216 69 A C 1.264 178.856 177.584 0.014 0.000 1.176 69 A CA 1.151 53.192 52.037 0.007 0.000 0.628 69 A CB -0.459 18.544 19.000 0.006 0.000 0.816 69 A HN 0.127 nan 8.150 nan 0.000 0.444 70 K N -0.344 120.066 120.400 0.016 0.000 2.652 70 K HA 0.393 4.713 4.320 -0.001 0.000 0.249 70 K C -1.034 175.578 176.600 0.020 0.000 0.986 70 K CA -0.518 55.781 56.287 0.020 0.000 0.867 70 K CB 1.003 33.512 32.500 0.015 0.000 1.201 70 K HN 0.635 nan 8.250 nan 0.000 0.450 71 R N 1.035 121.554 120.500 0.031 0.000 2.781 71 R HA 0.474 4.813 4.340 -0.001 0.000 0.268 71 R C -1.057 175.270 176.300 0.046 0.000 1.047 71 R CA -1.122 54.997 56.100 0.031 0.000 0.925 71 R CB 0.641 30.960 30.300 0.032 0.000 1.246 71 R HN 0.225 nan 8.270 nan 0.000 0.456 72 N N -0.619 118.114 118.700 0.054 0.000 2.482 72 N HA 0.582 5.322 4.740 -0.001 0.000 0.279 72 N C -1.111 174.451 175.510 0.087 0.000 1.182 72 N CA -0.381 52.723 53.050 0.091 0.000 0.969 72 N CB 1.855 40.449 38.487 0.178 0.000 1.201 72 N HN 0.690 nan 8.380 nan 0.000 0.523 73 A N 0.125 123.003 122.820 0.096 0.000 2.342 73 A HA 0.594 4.913 4.320 -0.001 0.000 0.323 73 A C -0.368 177.290 177.584 0.123 0.000 1.125 73 A CA -0.722 51.360 52.037 0.075 0.000 0.785 73 A CB 0.721 19.732 19.000 0.018 0.000 1.221 73 A HN 0.419 nan 8.150 nan 0.000 0.463 74 V N 0.757 120.732 119.914 0.102 0.000 2.398 74 V HA 0.764 4.884 4.120 -0.001 0.000 0.286 74 V C -0.417 175.729 176.094 0.086 0.000 1.026 74 V CA -0.677 61.704 62.300 0.134 0.000 0.868 74 V CB 0.986 32.885 31.823 0.127 0.000 0.982 74 V HN 0.568 nan 8.190 nan 0.000 0.443 75 V N 7.300 127.262 119.914 0.080 0.000 2.370 75 V HA 0.647 4.766 4.120 -0.001 0.000 0.283 75 V C 0.173 176.275 176.094 0.014 0.000 1.023 75 V CA -0.299 62.004 62.300 0.005 0.000 0.857 75 V CB 1.261 33.048 31.823 -0.061 0.000 0.985 75 V HN 1.103 nan 8.190 nan 0.000 0.443 76 M N 3.462 123.060 119.600 -0.003 0.000 2.550 76 M HA 0.861 5.340 4.480 -0.001 0.000 0.292 76 M C 0.076 176.356 176.300 -0.034 0.000 1.221 76 M CA -0.528 54.770 55.300 -0.003 0.000 0.873 76 M CB 2.155 34.806 32.600 0.087 0.000 1.727 76 M HN 0.579 nan 8.290 nan 0.000 0.459 77 G N 1.254 110.018 108.800 -0.061 0.000 2.569 77 G HA2 0.213 4.173 3.960 -0.001 0.000 0.249 77 G HA3 0.213 4.173 3.960 -0.001 0.000 0.249 77 G C 0.347 175.254 174.900 0.011 0.000 1.216 77 G CA -0.555 44.515 45.100 -0.050 0.000 0.845 77 G HN 1.004 nan 8.290 nan 0.000 0.568 78 R N 0.613 121.118 120.500 0.008 0.000 2.105 78 R HA -0.094 4.246 4.340 -0.001 0.000 0.239 78 R C 2.242 178.613 176.300 0.119 0.000 1.135 78 R CA 1.575 57.712 56.100 0.061 0.000 0.967 78 R CB -0.207 30.103 30.300 0.017 0.000 0.861 78 R HN 0.609 nan 8.270 nan 0.000 0.442 79 K N -0.736 119.693 120.400 0.047 0.000 2.097 79 K HA -0.079 4.240 4.320 -0.001 0.000 0.206 79 K C 1.971 178.581 176.600 0.016 0.000 1.049 79 K CA 1.846 58.148 56.287 0.024 0.000 0.933 79 K CB -0.080 32.413 32.500 -0.012 0.000 0.717 79 K HN 0.216 nan 8.250 nan 0.000 0.442 80 T N 0.766 115.329 114.554 0.015 0.000 2.821 80 T HA -0.167 4.182 4.350 -0.001 0.000 0.267 80 T C 1.208 175.945 174.700 0.061 0.000 1.046 80 T CA 0.832 62.932 62.100 -0.001 0.000 1.139 80 T CB -0.200 68.651 68.868 -0.028 0.000 0.871 80 T HN 0.467 nan 8.240 nan 0.000 0.454 81 W N 2.339 123.611 121.300 -0.046 0.000 2.363 81 W HA -0.134 4.526 4.660 -0.001 0.000 0.296 81 W C 1.061 177.565 176.519 -0.025 0.000 1.212 81 W CA 1.096 58.425 57.345 -0.025 0.000 1.260 81 W CB -0.208 29.238 29.460 -0.022 0.000 1.131 81 W HN 0.229 nan 8.180 nan 0.000 0.530 82 D N 0.025 120.449 120.400 0.041 0.000 2.183 82 D HA -0.161 4.479 4.640 -0.001 0.000 0.203 82 D C 2.475 178.698 176.300 -0.129 0.000 0.969 82 D CA 2.024 55.990 54.000 -0.058 0.000 0.842 82 D CB -0.450 40.364 40.800 0.023 0.000 0.957 82 D HN 0.220 nan 8.370 nan 0.000 0.484 83 S N -0.028 115.606 115.700 -0.109 0.000 2.453 83 S HA -0.044 4.426 4.470 -0.001 0.000 0.231 83 S C 1.109 175.622 174.600 -0.144 0.000 1.005 83 S CA -0.033 58.094 58.200 -0.121 0.000 0.949 83 S CB -0.354 62.778 63.200 -0.115 0.000 0.774 83 S HN 0.135 nan 8.310 nan 0.000 0.510 84 I N 3.496 123.952 120.570 -0.190 0.000 2.517 84 I HA 0.249 4.419 4.170 -0.001 0.000 0.285 84 I C -2.481 173.495 176.117 -0.235 0.000 1.106 84 I CA -2.308 58.877 61.300 -0.192 0.000 1.402 84 I CB 0.491 38.337 38.000 -0.257 0.000 1.399 84 I HN 0.035 nan 8.210 nan 0.000 0.535 85 P HA 0.091 nan 4.420 nan 0.000 0.268 85 P C -2.018 175.128 177.300 -0.257 0.000 1.204 85 P CA -1.117 61.863 63.100 -0.200 0.000 0.768 85 P CB 0.148 31.727 31.700 -0.202 0.000 0.842 86 P HA -0.242 nan 4.420 nan 0.000 0.218 86 P C 1.144 178.321 177.300 -0.205 0.000 1.146 86 P CA 1.880 64.843 63.100 -0.230 0.000 0.820 86 P CB -0.197 31.408 31.700 -0.158 0.000 0.778 87 K N -2.110 118.126 120.400 -0.274 0.000 2.228 87 K HA -0.012 4.307 4.320 -0.001 0.000 0.202 87 K C 1.108 177.595 176.600 -0.190 0.000 1.051 87 K CA 1.139 57.255 56.287 -0.285 0.000 0.960 87 K CB -0.627 31.620 32.500 -0.421 0.000 0.743 87 K HN 0.073 nan 8.250 nan 0.000 0.458 88 F N 2.612 122.500 119.950 -0.103 0.000 2.765 88 F HA 0.182 4.709 4.527 -0.001 0.000 0.302 88 F C 0.684 176.420 175.800 -0.107 0.000 1.111 88 F CA -0.675 57.273 58.000 -0.088 0.000 1.359 88 F CB 0.028 38.981 39.000 -0.079 0.000 1.097 88 F HN 0.020 nan 8.300 nan 0.000 0.577 89 R N 1.338 121.824 120.500 -0.024 0.000 2.532 89 R HA 0.532 4.872 4.340 -0.001 0.000 0.295 89 R C -2.900 173.417 176.300 0.029 0.000 0.968 89 R CA -1.708 54.320 56.100 -0.121 0.000 0.916 89 R CB 0.511 30.420 30.300 -0.651 0.000 1.124 89 R HN -0.145 nan 8.270 nan 0.000 0.463 90 P HA 0.136 nan 4.420 nan 0.000 0.274 90 P C -0.295 177.096 177.300 0.152 0.000 1.237 90 P CA -0.554 62.702 63.100 0.261 0.000 0.793 90 P CB 0.774 32.662 31.700 0.312 0.000 0.977 91 L N 3.111 124.429 121.223 0.158 0.000 2.562 91 L HA 0.125 4.464 4.340 -0.001 0.000 0.271 91 L C -1.862 175.041 176.870 0.055 0.000 1.167 91 L CA -1.594 53.301 54.840 0.091 0.000 0.917 91 L CB -0.599 41.519 42.059 0.099 0.000 1.187 91 L HN 0.219 nan 8.230 nan 0.000 0.482 92 P HA 0.034 nan 4.420 nan 0.000 0.267 92 P C 0.871 178.162 177.300 -0.015 0.000 1.200 92 P CA 0.440 63.547 63.100 0.011 0.000 0.772 92 P CB 0.793 32.490 31.700 -0.004 0.000 0.855 93 G N 1.388 110.185 108.800 -0.005 0.000 2.189 93 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.267 93 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.267 93 G C 0.048 174.941 174.900 -0.012 0.000 0.975 93 G CA -0.006 45.083 45.100 -0.017 0.000 0.644 93 G HN 0.614 nan 8.290 nan 0.000 0.537 94 R N -1.156 119.346 120.500 0.004 0.000 2.673 94 R HA 0.606 4.945 4.340 -0.001 0.000 0.281 94 R C -0.554 175.775 176.300 0.049 0.000 0.991 94 R CA -1.089 55.022 56.100 0.018 0.000 0.896 94 R CB 1.747 32.042 30.300 -0.008 0.000 1.201 94 R HN 0.215 nan 8.270 nan 0.000 0.457 95 L N 2.611 123.869 121.223 0.058 0.000 2.433 95 L HA 0.152 4.491 4.340 -0.001 0.000 0.275 95 L C -0.511 176.392 176.870 0.054 0.000 1.128 95 L CA 0.498 55.376 54.840 0.064 0.000 0.875 95 L CB 0.171 42.278 42.059 0.079 0.000 1.171 95 L HN 0.501 nan 8.230 nan 0.000 0.463 96 N N 4.805 123.543 118.700 0.063 0.000 2.406 96 N HA 0.178 4.917 4.740 -0.001 0.000 0.251 96 N C -1.140 174.352 175.510 -0.030 0.000 1.069 96 N CA -0.421 52.670 53.050 0.068 0.000 0.947 96 N CB 1.290 39.881 38.487 0.173 0.000 1.111 96 N HN 0.379 nan 8.380 nan 0.000 0.497 97 V N 3.732 123.622 119.914 -0.041 0.000 2.333 97 V HA 0.218 4.338 4.120 -0.001 0.000 0.274 97 V C 0.307 176.330 176.094 -0.119 0.000 1.028 97 V CA -0.664 61.572 62.300 -0.107 0.000 0.851 97 V CB 1.344 33.094 31.823 -0.121 0.000 1.000 97 V HN 0.280 nan 8.190 nan 0.000 0.456 98 V N 6.624 126.418 119.914 -0.200 0.000 2.427 98 V HA 0.448 4.567 4.120 -0.001 0.000 0.286 98 V C -0.002 175.989 176.094 -0.172 0.000 1.034 98 V CA -0.614 61.554 62.300 -0.219 0.000 0.893 98 V CB 1.699 33.248 31.823 -0.457 0.000 0.982 98 V HN 0.627 nan 8.190 nan 0.000 0.452 99 L N 4.050 125.199 121.223 -0.123 0.000 2.264 99 L HA 0.689 5.028 4.340 -0.001 0.000 0.289 99 L C 0.167 176.982 176.870 -0.091 0.000 1.044 99 L CA 0.249 55.027 54.840 -0.103 0.000 0.807 99 L CB 1.340 43.346 42.059 -0.088 0.000 1.192 99 L HN 0.718 nan 8.230 nan 0.000 0.425 100 S N 0.151 115.798 115.700 -0.089 0.000 2.563 100 S HA 0.211 4.680 4.470 -0.001 0.000 0.279 100 S C 0.465 175.029 174.600 -0.059 0.000 1.155 100 S CA -0.231 57.926 58.200 -0.071 0.000 0.928 100 S CB 1.687 64.835 63.200 -0.087 0.000 1.107 100 S HN 0.712 nan 8.310 nan 0.000 0.462 101 S N 2.818 118.493 115.700 -0.042 0.000 2.446 101 S HA -0.013 4.457 4.470 -0.001 0.000 0.225 101 S C 1.407 175.989 174.600 -0.031 0.000 1.016 101 S CA 1.320 59.499 58.200 -0.034 0.000 0.943 101 S CB -0.514 62.671 63.200 -0.025 0.000 0.786 101 S HN 0.693 nan 8.310 nan 0.000 0.508 102 T N 2.324 116.860 114.554 -0.030 0.000 2.755 102 T HA 0.304 4.653 4.350 -0.001 0.000 0.251 102 T C 0.418 175.099 174.700 -0.032 0.000 1.044 102 T CA 0.190 62.276 62.100 -0.024 0.000 1.154 102 T CB -0.456 68.403 68.868 -0.015 0.000 0.866 102 T HN 0.161 nan 8.240 nan 0.000 0.416 103 L N 2.662 123.859 121.223 -0.043 0.000 2.439 103 L HA 0.342 4.681 4.340 -0.001 0.000 0.269 103 L C 0.939 177.763 176.870 -0.077 0.000 1.179 103 L CA 0.139 54.945 54.840 -0.057 0.000 0.828 103 L CB 0.543 42.559 42.059 -0.072 0.000 1.106 103 L HN 0.410 nan 8.230 nan 0.000 0.467 104 T N -2.465 112.046 114.554 -0.070 0.000 2.949 104 T HA 0.345 4.694 4.350 -0.001 0.000 0.287 104 T C 1.111 175.756 174.700 -0.093 0.000 1.034 104 T CA -0.293 61.763 62.100 -0.073 0.000 1.018 104 T CB 1.087 69.927 68.868 -0.046 0.000 1.135 104 T HN 0.552 nan 8.240 nan 0.000 0.532 105 T N 0.558 115.061 114.554 -0.085 0.000 2.699 105 T HA -0.163 4.187 4.350 -0.001 0.000 0.268 105 T C 1.858 176.521 174.700 -0.060 0.000 1.036 105 T CA 1.767 63.814 62.100 -0.087 0.000 1.147 105 T CB -0.420 68.414 68.868 -0.056 0.000 0.862 105 T HN 0.638 nan 8.240 nan 0.000 0.446 106 Q N 1.095 120.872 119.800 -0.038 0.000 2.297 106 Q HA -0.015 4.324 4.340 -0.001 0.000 0.204 106 Q C 1.338 177.332 176.000 -0.011 0.000 0.962 106 Q CA 1.050 56.842 55.803 -0.018 0.000 0.879 106 Q CB -0.820 27.911 28.738 -0.012 0.000 0.947 106 Q HN 0.873 nan 8.270 nan 0.000 0.462 107 H N 0.575 119.633 119.070 -0.020 0.000 3.216 107 H HA 0.482 5.038 4.556 -0.001 0.000 0.263 107 H C -0.021 175.316 175.328 0.015 0.000 1.601 107 H CA 0.386 56.433 56.048 -0.002 0.000 1.509 107 H CB -1.273 28.483 29.762 -0.009 0.000 1.759 107 H HN 0.400 nan 8.280 nan 0.000 0.533 124 S N -0.335 115.396 115.700 0.052 0.000 2.559 124 S HA 0.408 4.878 4.470 -0.001 0.000 0.226 124 S C 0.489 175.123 174.600 0.057 0.000 1.000 124 S CA 0.188 58.426 58.200 0.063 0.000 0.948 124 S CB 0.062 63.304 63.200 0.070 0.000 0.870 124 S HN 0.732 nan 8.310 nan 0.000 0.497 125 I N 0.867 121.453 120.570 0.026 0.000 2.647 125 I HA 0.607 4.776 4.170 -0.001 0.000 0.295 125 I C -1.131 174.950 176.117 -0.060 0.000 1.078 125 I CA -0.910 60.364 61.300 -0.044 0.000 1.048 125 I CB 2.327 40.273 38.000 -0.089 0.000 1.239 125 I HN -0.177 nan 8.210 nan 0.000 0.421 126 V N 4.657 124.506 119.914 -0.108 0.000 2.777 126 V HA 0.799 4.918 4.120 -0.001 0.000 0.306 126 V C -0.676 175.323 176.094 -0.158 0.000 1.112 126 V CA -0.233 62.010 62.300 -0.095 0.000 0.917 126 V CB 1.900 33.705 31.823 -0.029 0.000 1.018 126 V HN 0.882 nan 8.190 nan 0.000 0.426 127 A N 5.550 128.280 122.820 -0.150 0.000 2.316 127 A HA 0.844 5.163 4.320 -0.001 0.000 0.284 127 A C -0.764 176.748 177.584 -0.120 0.000 1.115 127 A CA -0.426 51.514 52.037 -0.162 0.000 0.812 127 A CB 1.430 20.338 19.000 -0.154 0.000 1.064 127 A HN 1.191 nan 8.150 nan 0.000 0.489 128 V N 2.759 122.601 119.914 -0.121 0.000 2.483 128 V HA 0.210 4.329 4.120 -0.001 0.000 0.297 128 V C -0.212 175.833 176.094 -0.083 0.000 1.027 128 V CA -0.817 61.425 62.300 -0.098 0.000 0.855 128 V CB 1.670 33.426 31.823 -0.111 0.000 0.995 128 V HN 0.899 nan 8.190 nan 0.000 0.424 129 N N 4.027 122.689 118.700 -0.064 0.000 2.739 129 N HA 0.538 5.277 4.740 -0.001 0.000 0.266 129 N C 0.139 175.621 175.510 -0.047 0.000 1.168 129 N CA 1.183 54.202 53.050 -0.052 0.000 1.055 129 N CB 0.348 38.810 38.487 -0.041 0.000 1.393 129 N HN 1.064 nan 8.380 nan 0.000 0.514 130 G N -0.558 108.210 108.800 -0.052 0.000 2.359 130 G HA2 0.344 4.304 3.960 -0.001 0.000 0.293 130 G HA3 0.344 4.304 3.960 -0.001 0.000 0.293 130 G C -0.194 174.671 174.900 -0.059 0.000 1.300 130 G CA -0.404 44.667 45.100 -0.048 0.000 0.888 130 G HN 0.523 nan 8.290 nan 0.000 0.541 131 G N -1.341 107.426 108.800 -0.056 0.000 2.494 131 G HA2 0.567 4.526 3.960 -0.001 0.000 0.270 131 G HA3 0.567 4.526 3.960 -0.001 0.000 0.270 131 G C 1.278 176.122 174.900 -0.095 0.000 1.423 131 G CA 0.320 45.382 45.100 -0.065 0.000 1.055 131 G HN 1.365 nan 8.290 nan 0.000 0.536 132 L N -0.507 120.648 121.223 -0.113 0.000 2.083 132 L HA -0.016 4.323 4.340 -0.001 0.000 0.209 132 L C 2.584 179.339 176.870 -0.190 0.000 1.083 132 L CA 2.589 57.320 54.840 -0.182 0.000 0.752 132 L CB -0.551 41.369 42.059 -0.232 0.000 0.899 132 L HN 0.821 nan 8.230 nan 0.000 0.433 133 E N -0.957 119.166 120.200 -0.129 0.000 2.070 133 E HA -0.324 4.025 4.350 -0.001 0.000 0.197 133 E C 2.094 178.637 176.600 -0.095 0.000 1.004 133 E CA 1.665 58.006 56.400 -0.099 0.000 0.805 133 E CB -0.025 29.645 29.700 -0.050 0.000 0.744 133 E HN 0.579 nan 8.360 nan 0.000 0.451 134 Q N -0.036 119.712 119.800 -0.086 0.000 2.119 134 Q HA -0.039 4.301 4.340 -0.001 0.000 0.201 134 Q C 1.875 177.812 176.000 -0.105 0.000 0.972 134 Q CA 1.535 57.291 55.803 -0.079 0.000 0.847 134 Q CB -0.287 28.411 28.738 -0.067 0.000 0.903 134 Q HN 0.388 nan 8.270 nan 0.000 0.433 135 A N 0.125 122.865 122.820 -0.134 0.000 1.930 135 A HA -0.111 4.208 4.320 -0.001 0.000 0.217 135 A C 1.968 179.447 177.584 -0.174 0.000 1.175 135 A CA 1.048 52.986 52.037 -0.165 0.000 0.627 135 A CB -0.597 18.298 19.000 -0.174 0.000 0.815 135 A HN 0.349 nan 8.150 nan 0.000 0.443 136 L N -1.044 120.077 121.223 -0.171 0.000 2.156 136 L HA -0.202 4.137 4.340 -0.001 0.000 0.208 136 L C 2.814 179.625 176.870 -0.099 0.000 1.095 136 L CA 1.183 55.935 54.840 -0.146 0.000 0.770 136 L CB -0.538 41.422 42.059 -0.164 0.000 0.914 136 L HN 0.484 nan 8.230 nan 0.000 0.439 137 Q N -0.191 119.556 119.800 -0.088 0.000 2.046 137 Q HA -0.237 4.103 4.340 -0.001 0.000 0.200 137 Q C 2.254 178.224 176.000 -0.051 0.000 0.975 137 Q CA 1.447 57.216 55.803 -0.057 0.000 0.836 137 Q CB -0.235 28.476 28.738 -0.044 0.000 0.896 137 Q HN 0.317 nan 8.270 nan 0.000 0.428 138 L N 0.591 121.762 121.223 -0.087 0.000 2.042 138 L HA -0.181 4.159 4.340 -0.001 0.000 0.210 138 L C 1.805 178.587 176.870 -0.147 0.000 1.076 138 L CA 1.688 56.464 54.840 -0.106 0.000 0.749 138 L CB -0.236 41.713 42.059 -0.184 0.000 0.893 138 L HN 0.193 nan 8.230 nan 0.000 0.432 139 L N -0.644 120.452 121.223 -0.213 0.000 2.552 139 L HA 0.016 4.356 4.340 -0.001 0.000 0.227 139 L C 2.268 179.143 176.870 0.008 0.000 1.146 139 L CA 0.579 55.308 54.840 -0.185 0.000 0.858 139 L CB -0.714 41.232 42.059 -0.188 0.000 0.969 139 L HN 0.341 nan 8.230 nan 0.000 0.451 140 A N -1.095 121.730 122.820 0.009 0.000 2.218 140 A HA 0.122 4.442 4.320 -0.001 0.000 0.209 140 A C 1.278 178.905 177.584 0.071 0.000 1.168 140 A CA -0.059 51.999 52.037 0.035 0.000 0.804 140 A CB -0.095 18.907 19.000 0.004 0.000 0.834 140 A HN 0.263 nan 8.150 nan 0.000 0.482 141 S N 1.632 117.401 115.700 0.114 0.000 2.568 141 S HA 0.177 4.646 4.470 -0.001 0.000 0.282 141 S C -1.382 173.290 174.600 0.119 0.000 1.338 141 S CA -0.531 57.748 58.200 0.133 0.000 1.045 141 S CB 0.538 63.861 63.200 0.205 0.000 0.873 141 S HN 0.336 nan 8.310 nan 0.000 0.516 142 P HA -0.085 nan 4.420 nan 0.000 0.223 142 P C 0.498 177.799 177.300 0.001 0.000 1.144 142 P CA 0.929 64.052 63.100 0.039 0.000 0.783 142 P CB 0.035 31.752 31.700 0.029 0.000 0.771 143 N N -1.373 117.306 118.700 -0.034 0.000 2.396 143 N HA -0.103 4.636 4.740 -0.001 0.000 0.180 143 N C 1.203 176.515 175.510 -0.331 0.000 1.028 143 N CA 1.043 53.969 53.050 -0.208 0.000 0.893 143 N CB -0.519 37.774 38.487 -0.323 0.000 0.967 143 N HN 0.307 nan 8.380 nan 0.000 0.440 144 Y N -0.980 119.322 120.300 0.003 0.000 2.535 144 Y HA 0.117 4.666 4.550 -0.001 0.000 0.264 144 Y C 2.258 178.161 175.900 0.006 0.000 1.087 144 Y CA 0.593 58.694 58.100 0.003 0.000 1.285 144 Y CB -0.320 38.139 38.460 -0.002 0.000 1.200 144 Y HN 0.048 nan 8.280 nan 0.000 0.514 145 T N -1.851 112.788 114.554 0.142 0.000 2.881 145 T HA -0.075 4.274 4.350 -0.001 0.000 0.270 145 T C -0.634 174.103 174.700 0.062 0.000 1.068 145 T CA 0.922 63.075 62.100 0.090 0.000 1.131 145 T CB -1.364 67.544 68.868 0.067 0.000 0.871 145 T HN 0.153 nan 8.240 nan 0.000 0.479 146 P HA 0.103 nan 4.420 nan 0.000 0.221 146 P C 1.832 179.152 177.300 0.034 0.000 1.155 146 P CA 0.966 64.086 63.100 0.033 0.000 0.812 146 P CB -0.074 31.637 31.700 0.018 0.000 0.801 147 S N -1.399 114.325 115.700 0.040 0.000 2.486 147 S HA 0.142 4.612 4.470 -0.001 0.000 0.220 147 S C 0.833 175.472 174.600 0.064 0.000 1.011 147 S CA -0.006 58.219 58.200 0.042 0.000 0.921 147 S CB -0.611 62.605 63.200 0.027 0.000 0.785 147 S HN -0.006 nan 8.310 nan 0.000 0.517 148 I N 2.217 122.839 120.570 0.086 0.000 2.330 148 I HA 0.319 4.488 4.170 -0.001 0.000 0.286 148 I C 1.218 177.365 176.117 0.050 0.000 1.025 148 I CA -0.322 61.027 61.300 0.081 0.000 1.197 148 I CB 1.555 39.621 38.000 0.111 0.000 1.358 148 I HN 0.241 nan 8.210 nan 0.000 0.467 149 E N 3.608 123.829 120.200 0.035 0.000 2.016 149 E HA -0.029 4.320 4.350 -0.001 0.000 0.190 149 E C -0.060 176.535 176.600 -0.008 0.000 0.985 149 E CA 1.034 57.445 56.400 0.018 0.000 0.802 149 E CB 0.464 30.174 29.700 0.017 0.000 0.762 149 E HN 0.552 nan 8.360 nan 0.000 0.448 150 T N 0.601 115.137 114.554 -0.031 0.000 2.876 150 T HA 0.439 4.788 4.350 -0.001 0.000 0.289 150 T C -0.995 173.595 174.700 -0.185 0.000 1.014 150 T CA -0.730 61.281 62.100 -0.149 0.000 0.986 150 T CB 2.223 70.934 68.868 -0.262 0.000 1.021 150 T HN -0.124 nan 8.240 nan 0.000 0.458 151 V N 3.350 123.140 119.914 -0.207 0.000 2.394 151 V HA 0.431 4.551 4.120 -0.001 0.000 0.282 151 V C -1.186 174.801 176.094 -0.178 0.000 1.031 151 V CA -0.744 61.499 62.300 -0.095 0.000 0.881 151 V CB 0.474 32.309 31.823 0.020 0.000 0.982 151 V HN 0.794 nan 8.190 nan 0.000 0.451 152 Y N 2.714 123.091 120.300 0.130 0.000 2.328 152 Y HA 0.400 4.950 4.550 -0.001 0.000 0.337 152 Y C 0.410 176.432 175.900 0.204 0.000 0.966 152 Y CA -0.539 57.666 58.100 0.174 0.000 1.136 152 Y CB 1.637 40.139 38.460 0.070 0.000 1.170 152 Y HN 0.673 nan 8.280 nan 0.000 0.470 153 C N 7.261 126.844 119.300 0.472 0.000 2.416 153 C HA 0.363 4.823 4.460 -0.001 0.000 0.355 153 C C 1.451 176.670 174.990 0.382 0.000 1.211 153 C CA -0.584 58.649 59.018 0.360 0.000 1.699 153 C CB -2.186 25.834 27.740 0.467 0.000 2.310 153 C HN 0.937 nan 8.230 nan 0.000 0.539 154 I N 4.379 125.109 120.570 0.266 0.000 3.956 154 I HA 0.554 4.724 4.170 -0.001 0.000 0.333 154 I C 0.820 176.974 176.117 0.062 0.000 1.302 154 I CA 0.564 62.052 61.300 0.314 0.000 1.122 154 I CB -0.420 37.843 38.000 0.438 0.000 1.013 154 I HN 0.857 nan 8.210 nan 0.000 0.405 155 G N 0.199 108.833 108.800 -0.278 0.000 2.371 155 G HA2 0.244 4.204 3.960 -0.001 0.000 0.663 155 G HA3 0.244 4.204 3.960 -0.001 0.000 0.663 155 G C -0.351 174.281 174.900 -0.447 0.000 1.311 155 G CA -0.582 44.050 45.100 -0.779 0.000 0.985 155 G HN 0.489 nan 8.290 nan 0.000 0.566 156 G N -1.091 107.465 108.800 -0.407 0.000 3.075 156 G HA2 0.642 4.601 3.960 -0.001 0.000 0.156 156 G HA3 0.642 4.601 3.960 -0.001 0.000 0.156 156 G C 1.588 176.221 174.900 -0.445 0.000 1.403 156 G CA 0.956 45.772 45.100 -0.473 0.000 1.033 156 G HN 1.885 nan 8.290 nan 0.000 0.589 157 G N 0.107 108.841 108.800 -0.110 0.000 2.440 157 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.218 157 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.218 157 G C 2.142 177.097 174.900 0.092 0.000 1.154 157 G CA 2.325 47.478 45.100 0.089 0.000 0.767 157 G HN 0.991 nan 8.290 nan 0.000 0.552 158 S N -0.063 115.645 115.700 0.014 0.000 2.453 158 S HA 0.011 4.481 4.470 -0.001 0.000 0.231 158 S C 2.204 176.811 174.600 0.011 0.000 1.005 158 S CA 1.193 59.410 58.200 0.028 0.000 0.949 158 S CB -0.052 63.150 63.200 0.003 0.000 0.774 158 S HN 0.119 nan 8.310 nan 0.000 0.510 159 V N 0.364 120.235 119.914 -0.072 0.000 2.407 159 V HA -0.032 4.087 4.120 -0.001 0.000 0.245 159 V C 2.267 178.383 176.094 0.036 0.000 1.041 159 V CA 1.231 63.478 62.300 -0.088 0.000 1.040 159 V CB -1.099 30.601 31.823 -0.206 0.000 0.671 159 V HN 0.393 nan 8.190 nan 0.000 0.455 160 Y N 1.235 121.587 120.300 0.087 0.000 2.181 160 Y HA -0.130 4.419 4.550 -0.001 0.000 0.288 160 Y C 2.633 178.692 175.900 0.264 0.000 1.146 160 Y CA 0.860 59.059 58.100 0.164 0.000 1.164 160 Y CB -1.383 37.131 38.460 0.090 0.000 0.982 160 Y HN 0.186 nan 8.280 nan 0.000 0.515 161 A N -0.084 122.953 122.820 0.362 0.000 1.908 161 A HA -0.258 4.061 4.320 -0.001 0.000 0.218 161 A C 2.262 179.960 177.584 0.190 0.000 1.181 161 A CA 1.940 54.128 52.037 0.252 0.000 0.627 161 A CB -0.757 18.352 19.000 0.181 0.000 0.818 161 A HN 0.526 nan 8.150 nan 0.000 0.445 162 E N -0.346 119.945 120.200 0.151 0.000 2.106 162 E HA -0.080 4.269 4.350 -0.001 0.000 0.192 162 E C 2.090 178.781 176.600 0.153 0.000 0.984 162 E CA 0.817 57.282 56.400 0.109 0.000 0.806 162 E CB -0.207 29.521 29.700 0.047 0.000 0.750 162 E HN 0.554 nan 8.360 nan 0.000 0.458 163 A N 0.458 123.418 122.820 0.234 0.000 2.015 163 A HA -0.105 4.214 4.320 -0.001 0.000 0.219 163 A C 1.789 179.600 177.584 0.378 0.000 1.163 163 A CA 0.766 53.037 52.037 0.389 0.000 0.646 163 A CB -0.128 19.204 19.000 0.553 0.000 0.806 163 A HN 0.246 nan 8.150 nan 0.000 0.448 164 L N -0.926 120.474 121.223 0.295 0.000 2.629 164 L HA 0.299 4.639 4.340 -0.001 0.000 0.230 164 L C 0.850 177.806 176.870 0.143 0.000 1.151 164 L CA 0.644 55.617 54.840 0.222 0.000 0.924 164 L CB -0.554 41.610 42.059 0.175 0.000 1.137 164 L HN 0.264 nan 8.230 nan 0.000 0.457 165 R N -0.559 120.018 120.500 0.128 0.000 2.686 165 R HA 0.450 4.789 4.340 -0.001 0.000 0.286 165 R C -2.518 173.809 176.300 0.045 0.000 0.969 165 R CA -1.984 54.162 56.100 0.077 0.000 0.898 165 R CB 1.832 32.183 30.300 0.085 0.000 1.183 165 R HN -0.216 nan 8.270 nan 0.000 0.456 166 P HA 0.050 nan 4.420 nan 0.000 0.268 166 P C -2.010 175.341 177.300 0.085 0.000 1.205 166 P CA -0.799 62.327 63.100 0.045 0.000 0.771 166 P CB 0.543 32.318 31.700 0.125 0.000 0.858 167 P HA 0.036 nan 4.420 nan 0.000 0.235 167 P C 0.626 178.016 177.300 0.150 0.000 1.177 167 P CA 0.515 63.712 63.100 0.160 0.000 0.785 167 P CB -0.062 31.711 31.700 0.122 0.000 0.885 168 C N -0.152 119.224 119.300 0.126 0.000 2.413 168 C HA -0.080 4.380 4.460 -0.001 0.000 0.277 168 C C 2.823 178.013 174.990 0.332 0.000 1.265 168 C CA 0.663 59.813 59.018 0.221 0.000 1.752 168 C CB -1.672 26.160 27.740 0.153 0.000 1.998 168 C HN 0.131 nan 8.230 nan 0.000 0.489 169 V N 0.604 120.605 119.914 0.144 0.000 2.490 169 V HA -0.197 3.923 4.120 -0.001 0.000 0.250 169 V C 2.350 178.450 176.094 0.010 0.000 1.061 169 V CA 1.944 64.294 62.300 0.084 0.000 1.064 169 V CB -0.724 31.084 31.823 -0.025 0.000 0.670 169 V HN 0.625 nan 8.190 nan 0.000 0.461 170 H N -0.811 118.365 119.070 0.178 0.000 2.529 170 H HA 0.099 4.655 4.556 -0.001 0.000 0.277 170 H C 1.868 177.293 175.328 0.162 0.000 0.999 170 H CA 1.090 57.220 56.048 0.137 0.000 1.256 170 H CB 0.118 29.964 29.762 0.140 0.000 1.402 170 H HN 0.405 nan 8.280 nan 0.000 0.566 171 L N 0.479 121.865 121.223 0.271 0.000 2.607 171 L HA 0.065 4.404 4.340 -0.001 0.000 0.228 171 L C 0.375 177.271 176.870 0.043 0.000 1.123 171 L CA -0.218 54.767 54.840 0.241 0.000 0.890 171 L CB 0.309 42.550 42.059 0.303 0.000 1.103 171 L HN 0.003 nan 8.230 nan 0.000 0.468 172 L N 0.552 121.706 121.223 -0.116 0.000 2.456 172 L HA 0.029 4.368 4.340 -0.001 0.000 0.277 172 L C 1.199 177.995 176.870 -0.124 0.000 1.124 172 L CA 0.826 55.414 54.840 -0.420 0.000 0.880 172 L CB 0.679 42.643 42.059 -0.159 0.000 1.192 172 L HN 0.195 nan 8.230 nan 0.000 0.463 173 Q N 3.776 123.483 119.800 -0.156 0.000 2.083 173 Q HA 0.274 4.614 4.340 -0.001 0.000 0.198 173 Q C 0.052 176.066 176.000 0.024 0.000 0.969 173 Q CA 1.205 56.984 55.803 -0.040 0.000 0.838 173 Q CB 0.165 28.883 28.738 -0.033 0.000 0.900 173 Q HN 0.818 nan 8.270 nan 0.000 0.436 174 A N -0.116 122.728 122.820 0.041 0.000 2.599 174 A HA 0.578 4.898 4.320 -0.001 0.000 0.294 174 A C -1.723 175.864 177.584 0.005 0.000 1.055 174 A CA -0.725 51.333 52.037 0.034 0.000 0.683 174 A CB 1.055 19.980 19.000 -0.125 0.000 1.278 174 A HN 0.150 nan 8.150 nan 0.000 0.412 175 I N 1.337 121.862 120.570 -0.075 0.000 2.389 175 I HA 0.363 4.533 4.170 -0.001 0.000 0.288 175 I C -1.422 174.624 176.117 -0.118 0.000 0.999 175 I CA -0.408 60.851 61.300 -0.068 0.000 1.129 175 I CB 1.542 39.432 38.000 -0.184 0.000 1.288 175 I HN 0.625 nan 8.210 nan 0.000 0.444 176 Y N 5.827 126.229 120.300 0.169 0.000 2.434 176 Y HA 0.439 4.989 4.550 -0.001 0.000 0.341 176 Y C 0.297 176.323 175.900 0.210 0.000 0.965 176 Y CA -0.483 57.764 58.100 0.246 0.000 1.205 176 Y CB 0.788 39.461 38.460 0.355 0.000 1.121 176 Y HN 0.433 nan 8.280 nan 0.000 0.507 177 R N 2.020 122.669 120.500 0.248 0.000 2.343 177 R HA 0.481 4.821 4.340 -0.001 0.000 0.320 177 R C -0.985 175.384 176.300 0.116 0.000 0.956 177 R CA -0.403 55.787 56.100 0.150 0.000 0.836 177 R CB 0.887 31.237 30.300 0.084 0.000 1.151 177 R HN 0.533 nan 8.270 nan 0.000 0.450 178 T N 3.134 117.739 114.554 0.086 0.000 2.767 178 T HA 0.221 4.571 4.350 -0.001 0.000 0.288 178 T C -0.400 174.138 174.700 -0.270 0.000 0.963 178 T CA -0.163 61.897 62.100 -0.067 0.000 1.019 178 T CB 1.480 70.374 68.868 0.043 0.000 0.923 178 T HN 0.458 nan 8.240 nan 0.000 0.468 179 T N 4.891 119.099 114.554 -0.576 0.000 2.758 179 T HA 0.422 4.772 4.350 -0.001 0.000 0.285 179 T C 0.037 174.334 174.700 -0.671 0.000 0.981 179 T CA -0.666 61.023 62.100 -0.685 0.000 0.965 179 T CB 0.301 68.574 68.868 -0.992 0.000 0.927 179 T HN 0.331 nan 8.240 nan 0.000 0.448 180 I N 3.644 123.851 120.570 -0.605 0.000 2.315 180 I HA 0.294 4.463 4.170 -0.001 0.000 0.291 180 I C 0.896 176.756 176.117 -0.427 0.000 1.006 180 I CA -0.662 60.270 61.300 -0.614 0.000 1.265 180 I CB 0.999 38.305 38.000 -1.156 0.000 1.387 180 I HN 0.431 nan 8.210 nan 0.000 0.475 181 R N 5.198 125.545 120.500 -0.255 0.000 3.710 181 R HA 0.520 4.860 4.340 -0.001 0.000 0.201 181 R C -0.291 175.942 176.300 -0.112 0.000 1.641 181 R CA -0.123 55.897 56.100 -0.134 0.000 1.390 181 R CB 0.066 30.334 30.300 -0.052 0.000 1.341 181 R HN 0.695 nan 8.270 nan 0.000 0.728 182 A N 0.669 123.409 122.820 -0.132 0.000 2.515 182 A HA 0.480 4.799 4.320 -0.001 0.000 0.298 182 A C -0.368 177.211 177.584 -0.008 0.000 1.059 182 A CA -0.715 51.285 52.037 -0.061 0.000 0.698 182 A CB 1.665 20.627 19.000 -0.064 0.000 1.289 182 A HN 0.377 nan 8.150 nan 0.000 0.404 183 S N 0.043 115.762 115.700 0.031 0.000 2.438 183 S HA 0.701 5.170 4.470 -0.001 0.000 0.316 183 S C -0.294 174.357 174.600 0.085 0.000 1.084 183 S CA 0.376 58.611 58.200 0.058 0.000 1.107 183 S CB 1.177 64.404 63.200 0.045 0.000 0.981 183 S HN 1.603 nan 8.310 nan 0.000 0.466 184 E N 1.372 121.642 120.200 0.116 0.000 2.675 184 E HA 0.481 4.830 4.350 -0.001 0.000 0.236 184 E C 0.615 177.275 176.600 0.099 0.000 1.059 184 E CA -0.373 56.100 56.400 0.121 0.000 0.775 184 E CB 0.194 30.011 29.700 0.194 0.000 1.356 184 E HN 0.964 nan 8.360 nan 0.000 0.403 185 S N -0.423 115.325 115.700 0.081 0.000 2.528 185 S HA -0.183 4.286 4.470 -0.001 0.000 0.244 185 S C 1.999 176.636 174.600 0.062 0.000 0.982 185 S CA 1.430 59.679 58.200 0.081 0.000 0.953 185 S CB -0.419 62.819 63.200 0.064 0.000 0.754 185 S HN 1.073 nan 8.310 nan 0.000 0.529 186 S N -0.397 115.324 115.700 0.034 0.000 2.527 186 S HA 0.137 4.606 4.470 -0.001 0.000 0.222 186 S C 0.753 175.329 174.600 -0.040 0.000 0.985 186 S CA -0.219 57.981 58.200 -0.001 0.000 0.921 186 S CB -1.043 62.146 63.200 -0.019 0.000 0.772 186 S HN 0.534 nan 8.310 nan 0.000 0.529 187 C N 3.829 123.097 119.300 -0.054 0.000 2.657 187 C HA 0.451 4.911 4.460 -0.001 0.000 0.404 187 C C 1.884 176.718 174.990 -0.259 0.000 1.369 187 C CA 0.218 59.113 59.018 -0.205 0.000 1.665 187 C CB -0.542 27.047 27.740 -0.252 0.000 2.453 187 C HN 0.753 nan 8.230 nan 0.000 0.599 188 S N 1.895 117.445 115.700 -0.251 0.000 2.540 188 S HA 0.201 4.670 4.470 -0.001 0.000 0.222 188 S C -0.018 174.501 174.600 -0.135 0.000 1.008 188 S CA -0.112 58.039 58.200 -0.082 0.000 0.939 188 S CB 0.033 63.235 63.200 0.003 0.000 0.865 188 S HN 0.466 nan 8.310 nan 0.000 0.499 189 V N 2.325 122.006 119.914 -0.389 0.000 2.555 189 V HA 0.655 4.774 4.120 -0.001 0.000 0.302 189 V C -1.063 174.763 176.094 -0.447 0.000 1.038 189 V CA -0.712 61.463 62.300 -0.208 0.000 0.887 189 V CB 1.164 32.939 31.823 -0.080 0.000 0.991 189 V HN 0.381 nan 8.190 nan 0.000 0.434 190 F N 3.415 123.449 119.950 0.141 0.000 2.611 190 F HA 0.772 5.298 4.527 -0.001 0.000 0.324 190 F C -0.711 175.240 175.800 0.253 0.000 1.061 190 F CA -0.877 57.221 58.000 0.162 0.000 0.954 190 F CB 2.189 41.248 39.000 0.098 0.000 1.301 190 F HN 0.423 nan 8.300 nan 0.000 0.482 191 F N 2.274 122.366 119.950 0.236 0.000 2.630 191 F HA 0.600 5.126 4.527 -0.001 0.000 0.325 191 F C -1.484 174.339 175.800 0.038 0.000 1.184 191 F CA -0.613 57.441 58.000 0.090 0.000 1.011 191 F CB 1.094 40.068 39.000 -0.043 0.000 1.268 191 F HN 0.300 nan 8.300 nan 0.000 0.480 192 R N 5.144 125.237 120.500 -0.679 0.000 2.575 192 R HA 0.550 4.890 4.340 -0.001 0.000 0.293 192 R C -1.578 174.231 176.300 -0.818 0.000 0.983 192 R CA -1.048 54.716 56.100 -0.560 0.000 0.887 192 R CB 2.168 32.316 30.300 -0.255 0.000 1.184 192 R HN 0.452 nan 8.270 nan 0.000 0.445 193 V N 4.878 124.404 119.914 -0.647 0.000 2.427 193 V HA 0.183 4.302 4.120 -0.001 0.000 0.268 193 V C -1.829 174.073 176.094 -0.321 0.000 1.046 193 V CA -1.469 60.488 62.300 -0.571 0.000 0.970 193 V CB 0.761 32.269 31.823 -0.524 0.000 1.001 193 V HN 0.549 nan 8.190 nan 0.000 0.476 194 P HA 0.232 nan 4.420 nan 0.000 0.271 194 P C -0.123 177.217 177.300 0.067 0.000 1.220 194 P CA -0.259 62.815 63.100 -0.043 0.000 0.768 194 P CB 0.537 32.257 31.700 0.033 0.000 0.848 195 E N 0.666 120.895 120.200 0.049 0.000 2.390 195 E HA 0.143 4.492 4.350 -0.001 0.000 0.261 195 E C 0.256 176.923 176.600 0.112 0.000 1.076 195 E CA -0.394 56.055 56.400 0.082 0.000 0.905 195 E CB 0.458 30.181 29.700 0.038 0.000 0.984 195 E HN 0.328 nan 8.360 nan 0.000 0.427 196 S N 1.013 116.783 115.700 0.117 0.000 2.563 196 S HA 0.177 4.646 4.470 -0.001 0.000 0.294 196 S C 1.131 175.759 174.600 0.047 0.000 1.279 196 S CA 0.953 59.201 58.200 0.080 0.000 1.069 196 S CB -0.185 63.049 63.200 0.057 0.000 0.828 196 S HN 0.785 nan 8.310 nan 0.000 0.497 197 G N 3.113 111.934 108.800 0.036 0.000 2.241 197 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.244 197 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.244 197 G C 0.348 175.264 174.900 0.027 0.000 0.998 197 G CA 0.502 45.616 45.100 0.023 0.000 0.621 197 G HN 1.481 nan 8.290 nan 0.000 0.519 198 T N -0.774 113.802 114.554 0.037 0.000 2.860 198 T HA 0.560 4.910 4.350 -0.001 0.000 0.299 198 T C 1.224 175.945 174.700 0.035 0.000 1.045 198 T CA 0.784 62.902 62.100 0.031 0.000 1.071 198 T CB 1.442 70.327 68.868 0.029 0.000 0.985 198 T HN 0.228 nan 8.240 nan 0.000 0.537 199 E N 1.397 121.614 120.200 0.027 0.000 2.077 199 E HA 0.007 4.356 4.350 -0.001 0.000 0.193 199 E C 2.388 179.012 176.600 0.039 0.000 0.989 199 E CA 1.440 57.858 56.400 0.030 0.000 0.800 199 E CB -0.778 28.935 29.700 0.022 0.000 0.746 199 E HN 0.816 nan 8.360 nan 0.000 0.452 200 A N 0.932 123.773 122.820 0.034 0.000 2.125 200 A HA -0.004 4.315 4.320 -0.001 0.000 0.219 200 A C 2.255 179.880 177.584 0.068 0.000 1.156 200 A CA 1.397 53.458 52.037 0.039 0.000 0.671 200 A CB -0.617 18.392 19.000 0.015 0.000 0.794 200 A HN 0.267 nan 8.150 nan 0.000 0.459 201 A N -1.148 121.724 122.820 0.086 0.000 2.119 201 A HA 0.372 4.691 4.320 -0.001 0.000 0.217 201 A C 1.655 179.309 177.584 0.117 0.000 1.153 201 A CA 1.264 53.387 52.037 0.143 0.000 0.692 201 A CB -0.885 18.200 19.000 0.141 0.000 0.799 201 A HN 2.008 nan 8.150 nan 0.000 0.458 202 A N -2.512 120.359 122.820 0.086 0.000 2.745 202 A HA 0.156 4.475 4.320 -0.001 0.000 0.296 202 A C 1.943 179.585 177.584 0.098 0.000 1.500 202 A CA 1.465 53.555 52.037 0.089 0.000 0.766 202 A CB -1.972 17.081 19.000 0.089 0.000 1.030 202 A HN 2.535 nan 8.150 nan 0.000 0.489 203 G N -2.573 106.264 108.800 0.061 0.000 2.205 203 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.261 203 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.261 203 G C 0.193 175.087 174.900 -0.010 0.000 0.980 203 G CA 0.445 45.567 45.100 0.036 0.000 0.632 203 G HN 1.480 nan 8.290 nan 0.000 0.533 204 I N 1.161 121.706 120.570 -0.042 0.000 2.428 204 I HA 0.349 4.518 4.170 -0.001 0.000 0.289 204 I C 0.302 176.252 176.117 -0.279 0.000 1.019 204 I CA -0.302 60.863 61.300 -0.224 0.000 1.351 204 I CB 1.238 39.022 38.000 -0.361 0.000 1.412 204 I HN 0.073 nan 8.210 nan 0.000 0.513 205 E N 5.776 125.778 120.200 -0.330 0.000 2.070 205 E HA 0.170 4.520 4.350 -0.001 0.000 0.261 205 E C -1.451 175.000 176.600 -0.249 0.000 0.926 205 E CA -0.471 55.810 56.400 -0.199 0.000 0.760 205 E CB 0.657 30.289 29.700 -0.113 0.000 1.133 205 E HN 0.385 nan 8.360 nan 0.000 0.420 206 W N 2.760 124.055 121.300 -0.008 0.000 2.253 206 W HA 0.097 4.757 4.660 -0.001 0.000 0.322 206 W C 0.615 177.128 176.519 -0.010 0.000 1.342 206 W CA -0.302 57.037 57.345 -0.011 0.000 1.218 206 W CB 0.697 30.150 29.460 -0.013 0.000 1.205 206 W HN 0.203 nan 8.180 nan 0.000 0.551 207 Q N 2.872 122.820 119.800 0.246 0.000 2.375 207 Q HA 0.322 4.662 4.340 -0.001 0.000 0.271 207 Q C -0.632 175.450 176.000 0.137 0.000 1.074 207 Q CA -1.401 54.484 55.803 0.137 0.000 0.808 207 Q CB 2.540 31.319 28.738 0.067 0.000 1.327 207 Q HN 0.506 nan 8.270 nan 0.000 0.441 208 R N 1.729 122.286 120.500 0.095 0.000 2.296 208 R HA 0.027 4.367 4.340 -0.001 0.000 0.323 208 R C 0.784 177.123 176.300 0.066 0.000 1.067 208 R CA 0.341 56.487 56.100 0.077 0.000 0.946 208 R CB 0.517 30.853 30.300 0.059 0.000 0.991 208 R HN 0.788 nan 8.270 nan 0.000 0.448 209 E N 2.328 122.568 120.200 0.067 0.000 2.057 209 E HA -0.027 4.322 4.350 -0.001 0.000 0.190 209 E C -0.314 176.327 176.600 0.068 0.000 0.969 209 E CA 1.031 57.469 56.400 0.064 0.000 0.812 209 E CB 0.408 30.145 29.700 0.061 0.000 0.777 209 E HN 0.737 nan 8.360 nan 0.000 0.455 210 T N -1.220 113.380 114.554 0.077 0.000 2.909 210 T HA 0.608 4.957 4.350 -0.001 0.000 0.299 210 T C -0.618 174.140 174.700 0.097 0.000 1.073 210 T CA -0.878 61.275 62.100 0.088 0.000 0.999 210 T CB 1.964 70.900 68.868 0.112 0.000 1.098 210 T HN 0.143 nan 8.240 nan 0.000 0.477 211 I N 2.170 122.789 120.570 0.083 0.000 2.569 211 I HA 0.554 4.723 4.170 -0.001 0.000 0.290 211 I C 0.168 176.332 176.117 0.077 0.000 1.088 211 I CA -0.551 60.800 61.300 0.086 0.000 1.047 211 I CB 2.129 40.140 38.000 0.019 0.000 1.237 211 I HN 1.061 nan 8.210 nan 0.000 0.421 212 S N 5.108 120.883 115.700 0.125 0.000 2.624 212 S HA 0.301 4.770 4.470 -0.001 0.000 0.263 212 S C -0.042 174.555 174.600 -0.005 0.000 1.287 212 S CA -0.581 57.680 58.200 0.101 0.000 0.990 212 S CB 0.849 64.169 63.200 0.200 0.000 0.950 212 S HN 0.732 nan 8.310 nan 0.000 0.561 213 E N 0.017 120.200 120.200 -0.028 0.000 2.408 213 E HA 0.132 4.481 4.350 -0.001 0.000 0.259 213 E C -0.275 176.237 176.600 -0.146 0.000 1.110 213 E CA -0.615 55.732 56.400 -0.088 0.000 0.929 213 E CB 0.320 29.980 29.700 -0.066 0.000 0.971 213 E HN 0.748 nan 8.360 nan 0.000 0.438 214 E N 2.070 122.163 120.200 -0.179 0.000 2.351 214 E HA 0.126 4.476 4.350 -0.001 0.000 0.266 214 E C -0.945 175.499 176.600 -0.260 0.000 1.031 214 E CA -0.125 56.154 56.400 -0.202 0.000 0.911 214 E CB 0.433 30.033 29.700 -0.166 0.000 0.986 214 E HN 0.379 nan 8.360 nan 0.000 0.446 215 L N 3.025 123.956 121.223 -0.487 0.000 2.303 215 L HA 0.509 4.848 4.340 -0.001 0.000 0.266 215 L C -0.150 176.450 176.870 -0.449 0.000 1.011 215 L CA -0.947 53.566 54.840 -0.546 0.000 0.818 215 L CB 2.312 43.871 42.059 -0.835 0.000 1.326 215 L HN 0.456 nan 8.230 nan 0.000 0.435 216 T N -0.056 114.419 114.554 -0.131 0.000 2.797 216 T HA 0.261 4.610 4.350 -0.001 0.000 0.279 216 T C -0.239 174.620 174.700 0.265 0.000 0.991 216 T CA -0.420 61.719 62.100 0.064 0.000 0.979 216 T CB 1.654 70.538 68.868 0.027 0.000 0.943 216 T HN 0.521 nan 8.240 nan 0.000 0.444 217 S N 1.505 117.381 115.700 0.294 0.000 2.580 217 S HA 0.447 4.917 4.470 -0.001 0.000 0.274 217 S C 0.890 175.544 174.600 0.088 0.000 1.329 217 S CA -0.649 57.649 58.200 0.163 0.000 1.036 217 S CB 0.268 63.474 63.200 0.010 0.000 0.919 217 S HN 0.830 nan 8.310 nan 0.000 0.515 218 A N 3.996 126.854 122.820 0.064 0.000 2.988 218 A HA 0.205 4.524 4.320 -0.001 0.000 0.288 218 A C 1.068 178.670 177.584 0.029 0.000 1.385 218 A CA -0.388 51.677 52.037 0.046 0.000 1.001 218 A CB -0.783 18.245 19.000 0.047 0.000 1.071 218 A HN 0.872 nan 8.150 nan 0.000 0.608 219 N N -0.666 118.049 118.700 0.024 0.000 2.353 219 N HA 0.171 4.911 4.740 -0.001 0.000 0.185 219 N C 1.065 176.589 175.510 0.023 0.000 1.098 219 N CA 0.949 54.011 53.050 0.020 0.000 0.872 219 N CB -0.005 38.493 38.487 0.017 0.000 0.970 219 N HN 0.731 nan 8.380 nan 0.000 0.467 220 G N 0.149 108.963 108.800 0.024 0.000 2.176 220 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.232 220 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.232 220 G C 0.530 175.442 174.900 0.021 0.000 0.986 220 G CA 0.220 45.333 45.100 0.022 0.000 0.643 220 G HN 0.447 nan 8.290 nan 0.000 0.522 221 N N 0.740 119.454 118.700 0.024 0.000 2.184 221 N HA 0.195 4.935 4.740 -0.001 0.000 0.206 221 N C 0.646 176.169 175.510 0.022 0.000 1.151 221 N CA 0.623 53.687 53.050 0.023 0.000 0.878 221 N CB 0.361 38.864 38.487 0.027 0.000 1.014 221 N HN 0.642 nan 8.380 nan 0.000 0.512 222 E N 0.377 120.593 120.200 0.026 0.000 2.476 222 E HA -0.144 4.205 4.350 -0.001 0.000 0.251 222 E C -0.897 175.721 176.600 0.029 0.000 1.130 222 E CA 0.436 56.853 56.400 0.029 0.000 0.736 222 E CB -1.809 27.903 29.700 0.020 0.000 1.298 222 E HN 0.193 nan 8.360 nan 0.000 0.400 223 T N 1.552 116.125 114.554 0.032 0.000 2.867 223 T HA 0.080 4.429 4.350 -0.001 0.000 0.297 223 T C 0.493 175.232 174.700 0.066 0.000 0.989 223 T CA 0.097 62.209 62.100 0.020 0.000 1.159 223 T CB 0.654 69.514 68.868 -0.013 0.000 0.928 223 T HN 0.061 nan 8.240 nan 0.000 0.538 224 K N 2.863 123.278 120.400 0.025 0.000 2.185 224 K HA 0.471 4.790 4.320 -0.001 0.000 0.271 224 K C -0.579 176.033 176.600 0.021 0.000 1.013 224 K CA -0.603 55.692 56.287 0.012 0.000 0.943 224 K CB 0.882 33.367 32.500 -0.024 0.000 0.998 224 K HN 0.772 nan 8.250 nan 0.000 0.468 225 Y N -0.316 119.877 120.300 -0.177 0.000 2.624 225 Y HA 0.546 5.096 4.550 -0.000 0.000 0.334 225 Y C -1.536 174.184 175.900 -0.301 0.000 1.155 225 Y CA -1.569 56.323 58.100 -0.347 0.000 1.046 225 Y CB 0.907 39.098 38.460 -0.448 0.000 1.316 225 Y HN 0.647 nan 8.280 nan 0.000 0.457 226 Y N -0.550 119.461 120.300 -0.482 0.000 2.638 226 Y HA 0.833 5.383 4.550 -0.001 0.000 0.335 226 Y C -2.329 173.227 175.900 -0.574 0.000 1.155 226 Y CA -2.435 55.314 58.100 -0.586 0.000 1.046 226 Y CB 1.219 39.478 38.460 -0.335 0.000 1.303 226 Y HN 0.527 nan 8.280 nan 0.000 0.460 227 F N 1.079 121.045 119.950 0.025 0.000 2.492 227 F HA 0.636 5.162 4.527 -0.001 0.000 0.327 227 F C -0.216 175.621 175.800 0.062 0.000 1.079 227 F CA -0.906 57.027 58.000 -0.111 0.000 0.967 227 F CB 2.100 40.886 39.000 -0.356 0.000 1.169 227 F HN 0.635 nan 8.300 nan 0.000 0.472 228 E N 0.801 121.150 120.200 0.249 0.000 2.340 228 E HA 0.419 4.769 4.350 -0.001 0.000 0.273 228 E C -1.722 174.974 176.600 0.160 0.000 0.891 228 E CA -1.307 55.213 56.400 0.201 0.000 0.757 228 E CB 2.954 32.762 29.700 0.180 0.000 1.231 228 E HN 0.535 nan 8.360 nan 0.000 0.439 229 K N 3.289 123.751 120.400 0.103 0.000 2.265 229 K HA 0.403 4.722 4.320 -0.001 0.000 0.267 229 K C -1.207 175.383 176.600 -0.017 0.000 0.994 229 K CA -0.589 55.676 56.287 -0.037 0.000 0.860 229 K CB 0.847 33.306 32.500 -0.068 0.000 1.099 229 K HN 0.539 nan 8.250 nan 0.000 0.448 230 L N 6.534 127.735 121.223 -0.037 0.000 2.329 230 L HA 0.601 4.940 4.340 -0.001 0.000 0.279 230 L C -0.016 176.969 176.870 0.192 0.000 1.014 230 L CA -1.092 53.800 54.840 0.088 0.000 0.814 230 L CB 1.350 43.441 42.059 0.054 0.000 1.257 230 L HN 0.608 nan 8.230 nan 0.000 0.424 231 I N 0.077 120.811 120.570 0.274 0.000 2.828 231 I HA 0.658 4.828 4.170 -0.001 0.000 0.302 231 I C -2.709 173.452 176.117 0.074 0.000 1.101 231 I CA -2.559 58.869 61.300 0.213 0.000 1.031 231 I CB 2.571 40.606 38.000 0.057 0.000 1.231 231 I HN 0.274 nan 8.210 nan 0.000 0.427 232 P HA 0.207 nan 4.420 nan 0.000 0.282 232 P C -0.866 176.254 177.300 -0.300 0.000 1.262 232 P CA -0.279 62.458 63.100 -0.605 0.000 0.773 232 P CB 0.930 32.205 31.700 -0.709 0.000 0.879 233 R N 3.372 123.717 120.500 -0.259 0.000 2.458 233 R HA 0.015 4.354 4.340 -0.001 0.000 0.303 233 R C 0.495 176.689 176.300 -0.177 0.000 1.013 233 R CA 0.010 56.013 56.100 -0.160 0.000 1.026 233 R CB -0.161 30.066 30.300 -0.123 0.000 0.948 233 R HN 0.368 nan 8.270 nan 0.000 0.417 234 N N 4.192 122.792 118.700 -0.167 0.000 2.868 234 N HA 0.033 4.773 4.740 -0.001 0.000 0.252 234 N C 0.516 175.939 175.510 -0.144 0.000 1.130 234 N CA -0.112 52.803 53.050 -0.225 0.000 1.026 234 N CB 0.459 38.732 38.487 -0.356 0.000 1.335 234 N HN 0.485 nan 8.380 nan 0.000 0.516 235 R N 1.665 122.099 120.500 -0.110 0.000 2.105 235 R HA -0.117 4.222 4.340 -0.001 0.000 0.239 235 R C 1.014 177.292 176.300 -0.037 0.000 1.135 235 R CA 1.247 57.307 56.100 -0.066 0.000 0.967 235 R CB 0.034 30.294 30.300 -0.066 0.000 0.861 235 R HN 0.654 nan 8.270 nan 0.000 0.442 236 E N 0.190 120.380 120.200 -0.017 0.000 2.072 236 E HA -0.196 4.153 4.350 -0.001 0.000 0.191 236 E C 1.914 178.652 176.600 0.231 0.000 0.985 236 E CA 0.981 57.417 56.400 0.060 0.000 0.801 236 E CB -0.031 29.824 29.700 0.258 0.000 0.750 236 E HN 0.419 nan 8.360 nan 0.000 0.452 237 E N 1.036 121.372 120.200 0.226 0.000 2.152 237 E HA -0.176 4.173 4.350 -0.001 0.000 0.192 237 E C 1.745 178.483 176.600 0.230 0.000 0.983 237 E CA 0.697 57.278 56.400 0.302 0.000 0.818 237 E CB 0.173 29.974 29.700 0.169 0.000 0.758 237 E HN 0.212 nan 8.360 nan 0.000 0.467 238 E N 0.459 120.720 120.200 0.102 0.000 2.160 238 E HA -0.273 4.077 4.350 -0.001 0.000 0.195 238 E C 2.128 178.767 176.600 0.066 0.000 0.991 238 E CA 1.240 57.680 56.400 0.067 0.000 0.810 238 E CB -0.097 29.610 29.700 0.011 0.000 0.742 238 E HN 0.393 nan 8.360 nan 0.000 0.466 239 Q N 0.373 120.211 119.800 0.062 0.000 2.084 239 Q HA -0.244 4.096 4.340 -0.001 0.000 0.202 239 Q C 2.097 178.143 176.000 0.076 0.000 0.978 239 Q CA 1.444 57.261 55.803 0.023 0.000 0.844 239 Q CB -0.325 28.382 28.738 -0.051 0.000 0.898 239 Q HN 0.415 nan 8.270 nan 0.000 0.426 240 Y N 1.189 121.530 120.300 0.068 0.000 2.145 240 Y HA -0.193 4.357 4.550 -0.001 0.000 0.286 240 Y C 1.894 177.826 175.900 0.054 0.000 1.145 240 Y CA 1.827 59.988 58.100 0.101 0.000 1.148 240 Y CB -0.250 38.336 38.460 0.209 0.000 0.981 240 Y HN 0.106 nan 8.280 nan 0.000 0.507 241 L N -0.773 120.497 121.223 0.079 0.000 2.141 241 L HA -0.193 4.146 4.340 -0.001 0.000 0.209 241 L C 2.518 179.331 176.870 -0.096 0.000 1.094 241 L CA 1.321 56.134 54.840 -0.044 0.000 0.763 241 L CB -0.702 41.406 42.059 0.082 0.000 0.908 241 L HN 0.143 nan 8.230 nan 0.000 0.437 242 S N 0.097 115.763 115.700 -0.057 0.000 2.382 242 S HA -0.145 4.324 4.470 -0.001 0.000 0.228 242 S C 1.830 176.372 174.600 -0.098 0.000 1.027 242 S CA 1.092 59.254 58.200 -0.064 0.000 0.991 242 S CB -0.226 62.947 63.200 -0.045 0.000 0.823 242 S HN 0.232 nan 8.310 nan 0.000 0.469 243 L N 1.825 122.967 121.223 -0.134 0.000 2.027 243 L HA 0.017 4.357 4.340 -0.001 0.000 0.206 243 L C 2.194 178.950 176.870 -0.191 0.000 1.074 243 L CA 1.536 56.282 54.840 -0.157 0.000 0.745 243 L CB -0.907 41.051 42.059 -0.168 0.000 0.898 243 L HN 0.112 nan 8.230 nan 0.000 0.433 244 V N 0.113 119.852 119.914 -0.291 0.000 2.282 244 V HA -0.357 3.763 4.120 -0.001 0.000 0.249 244 V C 2.378 178.389 176.094 -0.138 0.000 1.057 244 V CA 2.171 64.318 62.300 -0.255 0.000 1.032 244 V CB -0.846 30.767 31.823 -0.350 0.000 0.645 244 V HN 0.584 nan 8.190 nan 0.000 0.447 245 D N -0.491 119.840 120.400 -0.115 0.000 2.144 245 D HA -0.211 4.429 4.640 -0.001 0.000 0.199 245 D C 2.365 178.629 176.300 -0.060 0.000 0.984 245 D CA 1.388 55.346 54.000 -0.070 0.000 0.834 245 D CB -0.139 40.628 40.800 -0.056 0.000 0.955 245 D HN 0.242 nan 8.370 nan 0.000 0.465 246 R N -0.273 120.185 120.500 -0.070 0.000 2.081 246 R HA -0.059 4.280 4.340 -0.001 0.000 0.235 246 R C 2.443 178.712 176.300 -0.052 0.000 1.131 246 R CA 1.174 57.239 56.100 -0.057 0.000 0.960 246 R CB -0.248 30.014 30.300 -0.062 0.000 0.856 246 R HN 0.307 nan 8.270 nan 0.000 0.436 247 I N 0.449 120.981 120.570 -0.064 0.000 2.208 247 I HA -0.321 3.848 4.170 -0.001 0.000 0.245 247 I C 2.165 178.260 176.117 -0.037 0.000 1.097 247 I CA 1.380 62.649 61.300 -0.051 0.000 1.363 247 I CB -0.225 37.736 38.000 -0.065 0.000 1.051 247 I HN 0.212 nan 8.210 nan 0.000 0.413 248 I N 0.242 120.789 120.570 -0.037 0.000 2.252 248 I HA -0.260 3.910 4.170 -0.001 0.000 0.245 248 I C 2.694 178.799 176.117 -0.021 0.000 1.102 248 I CA 1.420 62.706 61.300 -0.023 0.000 1.385 248 I CB -0.355 37.634 38.000 -0.018 0.000 1.064 248 I HN 0.127 nan 8.210 nan 0.000 0.414 249 R N 0.262 120.747 120.500 -0.025 0.000 2.115 249 R HA -0.055 4.285 4.340 -0.001 0.000 0.226 249 R C 1.387 177.676 176.300 -0.019 0.000 1.100 249 R CA 1.087 57.175 56.100 -0.020 0.000 0.980 249 R CB 0.049 30.335 30.300 -0.022 0.000 0.875 249 R HN 0.432 nan 8.270 nan 0.000 0.445 250 E N -1.039 119.148 120.200 -0.022 0.000 2.639 250 E HA 0.119 4.468 4.350 -0.001 0.000 0.225 250 E C 0.212 176.802 176.600 -0.017 0.000 0.921 250 E CA -0.304 56.085 56.400 -0.019 0.000 1.184 250 E CB 1.264 30.951 29.700 -0.020 0.000 1.160 250 E HN 0.185 nan 8.360 nan 0.000 0.547 251 G N 1.394 110.182 108.800 -0.021 0.000 2.491 251 G HA2 0.054 4.014 3.960 -0.001 0.000 0.242 251 G HA3 0.054 4.014 3.960 -0.001 0.000 0.242 251 G C 0.034 174.919 174.900 -0.023 0.000 1.266 251 G CA -0.374 44.715 45.100 -0.019 0.000 0.844 251 G HN -0.013 nan 8.290 nan 0.000 0.571 252 N N -0.275 118.411 118.700 -0.024 0.000 2.513 252 N HA 0.150 4.890 4.740 -0.001 0.000 0.274 252 N C 0.161 175.633 175.510 -0.063 0.000 1.189 252 N CA -0.404 52.625 53.050 -0.034 0.000 0.975 252 N CB 1.837 40.307 38.487 -0.028 0.000 1.157 252 N HN 0.148 nan 8.380 nan 0.000 0.465 253 V N 2.210 122.078 119.914 -0.077 0.000 2.508 253 V HA 0.127 4.247 4.120 -0.001 0.000 0.281 253 V C 0.606 176.579 176.094 -0.200 0.000 1.041 253 V CA 0.310 62.524 62.300 -0.144 0.000 1.016 253 V CB -0.036 31.716 31.823 -0.118 0.000 0.984 253 V HN 0.533 nan 8.190 nan 0.000 0.478 254 K N 2.850 123.064 120.400 -0.310 0.000 2.466 254 K HA 0.692 5.011 4.320 -0.001 0.000 0.260 254 K C -1.461 174.811 176.600 -0.546 0.000 1.011 254 K CA -1.060 55.041 56.287 -0.309 0.000 0.871 254 K CB 2.202 34.600 32.500 -0.171 0.000 1.404 254 K HN 0.760 nan 8.250 nan 0.000 0.450 255 H N -0.110 118.920 119.070 -0.067 0.000 2.637 255 H HA 0.175 4.731 4.556 -0.001 0.000 0.363 255 H C -0.742 174.545 175.328 -0.068 0.000 1.131 255 H CA -0.887 55.127 56.048 -0.057 0.000 1.183 255 H CB 1.406 31.151 29.762 -0.029 0.000 1.637 255 H HN 0.630 nan 8.280 nan 0.000 0.531 256 D N 0.489 120.917 120.400 0.047 0.000 2.507 256 D HA 0.115 4.754 4.640 -0.001 0.000 0.280 256 D C 0.892 177.225 176.300 0.054 0.000 1.219 256 D CA -0.738 53.267 54.000 0.008 0.000 1.085 256 D CB 0.726 41.519 40.800 -0.011 0.000 1.134 256 D HN 0.474 nan 8.370 nan 0.000 0.583 257 R N -1.562 118.973 120.500 0.059 0.000 2.237 257 R HA -0.014 4.325 4.340 -0.001 0.000 0.219 257 R C 1.296 177.636 176.300 0.067 0.000 1.080 257 R CA 1.498 57.638 56.100 0.066 0.000 0.995 257 R CB -0.407 29.945 30.300 0.086 0.000 0.875 257 R HN 0.704 nan 8.270 nan 0.000 0.462 258 T N -3.656 110.943 114.554 0.076 0.000 3.134 258 T HA 0.260 4.610 4.350 -0.001 0.000 0.260 258 T C 1.108 175.843 174.700 0.058 0.000 1.027 258 T CA 0.245 62.385 62.100 0.066 0.000 0.913 258 T CB 1.005 69.916 68.868 0.071 0.000 1.046 258 T HN 0.309 nan 8.240 nan 0.000 0.553 259 G N 0.909 109.749 108.800 0.067 0.000 2.143 259 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.248 259 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.248 259 G C -0.007 174.970 174.900 0.127 0.000 0.991 259 G CA -0.001 45.137 45.100 0.063 0.000 0.689 259 G HN 0.733 nan 8.290 nan 0.000 0.522 260 V N 0.949 120.947 119.914 0.140 0.000 2.498 260 V HA 0.629 4.749 4.120 -0.001 0.000 0.279 260 V C 1.449 177.633 176.094 0.150 0.000 1.048 260 V CA -0.076 62.316 62.300 0.152 0.000 0.967 260 V CB 1.331 33.245 31.823 0.152 0.000 0.988 260 V HN 0.735 nan 8.190 nan 0.000 0.473 261 G N 3.628 112.507 108.800 0.132 0.000 2.380 261 G HA2 0.458 4.418 3.960 -0.001 0.000 0.242 261 G HA3 0.458 4.418 3.960 -0.001 0.000 0.242 261 G C 0.169 175.005 174.900 -0.108 0.000 1.298 261 G CA 0.339 45.392 45.100 -0.077 0.000 0.878 261 G HN 0.910 nan 8.290 nan 0.000 0.542 262 T N -0.499 113.914 114.554 -0.235 0.000 2.906 262 T HA 0.667 5.016 4.350 -0.001 0.000 0.295 262 T C -0.319 174.282 174.700 -0.165 0.000 1.075 262 T CA -0.977 60.996 62.100 -0.212 0.000 1.005 262 T CB 1.625 70.295 68.868 -0.330 0.000 1.136 262 T HN 0.334 nan 8.240 nan 0.000 0.498 263 L N 1.877 123.044 121.223 -0.095 0.000 2.295 263 L HA 0.729 5.069 4.340 -0.001 0.000 0.285 263 L C 0.212 177.065 176.870 -0.029 0.000 1.035 263 L CA -0.736 54.067 54.840 -0.062 0.000 0.806 263 L CB 1.717 43.755 42.059 -0.037 0.000 1.214 263 L HN 0.837 nan 8.230 nan 0.000 0.426 264 S N 3.296 118.981 115.700 -0.024 0.000 2.541 264 S HA 0.830 5.300 4.470 -0.001 0.000 0.280 264 S C -0.878 173.735 174.600 0.023 0.000 1.112 264 S CA -0.567 57.644 58.200 0.018 0.000 0.925 264 S CB 1.595 64.799 63.200 0.006 0.000 1.067 264 S HN 0.458 nan 8.310 nan 0.000 0.479 265 I N 0.754 121.351 120.570 0.044 0.000 2.892 265 I HA 0.792 4.962 4.170 -0.001 0.000 0.306 265 I C -1.449 174.756 176.117 0.146 0.000 1.078 265 I CA -0.942 60.395 61.300 0.062 0.000 1.032 265 I CB 1.554 39.559 38.000 0.010 0.000 1.229 265 I HN 0.518 nan 8.210 nan 0.000 0.435 266 F N 4.035 123.965 119.950 -0.033 0.000 2.402 266 F HA 0.785 5.312 4.527 -0.001 0.000 0.355 266 F C 0.488 176.263 175.800 -0.040 0.000 1.123 266 F CA -0.387 57.594 58.000 -0.031 0.000 1.021 266 F CB 0.953 39.942 39.000 -0.017 0.000 1.160 266 F HN 1.049 nan 8.300 nan 0.000 0.451 267 G N 4.385 112.879 108.800 -0.509 0.000 3.292 267 G HA2 0.481 4.440 3.960 -0.001 0.000 0.636 267 G HA3 0.481 4.440 3.960 -0.001 0.000 0.636 267 G C -1.196 173.544 174.900 -0.268 0.000 1.069 267 G CA -0.325 44.468 45.100 -0.512 0.000 0.890 267 G HN 1.546 nan 8.290 nan 0.000 0.427 268 A N 2.273 124.944 122.820 -0.248 0.000 2.593 268 A HA 0.995 5.314 4.320 -0.001 0.000 0.290 268 A C -0.413 177.059 177.584 -0.187 0.000 1.126 268 A CA -0.104 51.820 52.037 -0.188 0.000 0.695 268 A CB 2.086 20.983 19.000 -0.172 0.000 1.290 268 A HN 1.450 nan 8.150 nan 0.000 0.414 269 Q N 0.327 120.037 119.800 -0.151 0.000 2.281 269 Q HA 0.665 5.004 4.340 -0.001 0.000 0.263 269 Q C -1.714 174.217 176.000 -0.115 0.000 0.989 269 Q CA -0.251 55.477 55.803 -0.126 0.000 0.852 269 Q CB 1.794 30.467 28.738 -0.108 0.000 1.337 269 Q HN 0.819 nan 8.270 nan 0.000 0.418 270 M N 2.015 121.563 119.600 -0.088 0.000 2.662 270 M HA 0.651 5.130 4.480 -0.001 0.000 0.310 270 M C -0.860 175.321 176.300 -0.199 0.000 1.204 270 M CA -0.725 54.484 55.300 -0.151 0.000 0.891 270 M CB 2.527 35.084 32.600 -0.072 0.000 1.732 270 M HN 0.412 nan 8.290 nan 0.000 0.467 271 R N 0.883 121.095 120.500 -0.481 0.000 2.686 271 R HA 0.744 5.084 4.340 -0.001 0.000 0.283 271 R C -1.886 173.989 176.300 -0.708 0.000 0.978 271 R CA -0.545 55.330 56.100 -0.376 0.000 0.897 271 R CB 2.115 32.291 30.300 -0.207 0.000 1.192 271 R HN 0.486 nan 8.270 nan 0.000 0.457 272 F N -0.127 119.842 119.950 0.031 0.000 2.573 272 F HA 0.270 4.796 4.527 -0.001 0.000 0.316 272 F C 0.326 176.134 175.800 0.014 0.000 1.148 272 F CA -0.784 57.235 58.000 0.031 0.000 0.940 272 F CB 2.331 41.316 39.000 -0.024 0.000 1.214 272 F HN 0.311 nan 8.300 nan 0.000 0.448 273 S N 3.145 118.955 115.700 0.183 0.000 2.528 273 S HA 0.449 4.918 4.470 -0.001 0.000 0.277 273 S C 0.423 175.075 174.600 0.086 0.000 1.297 273 S CA -0.409 57.856 58.200 0.109 0.000 1.052 273 S CB 0.358 63.604 63.200 0.077 0.000 0.917 273 S HN 0.698 nan 8.310 nan 0.000 0.492 274 L N 4.352 125.617 121.223 0.069 0.000 2.808 274 L HA 0.319 4.659 4.340 -0.001 0.000 0.246 274 L C 0.937 177.842 176.870 0.059 0.000 1.153 274 L CA -0.245 54.620 54.840 0.041 0.000 0.956 274 L CB -0.073 42.020 42.059 0.057 0.000 1.270 274 L HN 0.500 nan 8.230 nan 0.000 0.528 275 R N 1.866 122.407 120.500 0.068 0.000 2.570 275 R HA 0.018 4.357 4.340 -0.001 0.000 0.277 275 R C 0.233 176.612 176.300 0.132 0.000 1.039 275 R CA 0.035 56.184 56.100 0.082 0.000 1.065 275 R CB 0.076 30.411 30.300 0.059 0.000 0.964 275 R HN 0.228 nan 8.270 nan 0.000 0.428 276 N N 2.357 121.137 118.700 0.133 0.000 2.735 276 N HA -0.222 4.518 4.740 -0.001 0.000 0.248 276 N C -0.818 174.846 175.510 0.256 0.000 1.083 276 N CA 1.042 54.196 53.050 0.174 0.000 0.703 276 N CB -1.219 37.377 38.487 0.181 0.000 1.005 276 N HN 0.747 nan 8.380 nan 0.000 0.550 277 N N -1.099 117.712 118.700 0.186 0.000 2.725 277 N HA -0.223 4.516 4.740 -0.001 0.000 0.249 277 N C 0.073 175.662 175.510 0.132 0.000 1.103 277 N CA 1.065 54.217 53.050 0.169 0.000 0.707 277 N CB -0.797 37.809 38.487 0.198 0.000 1.043 277 N HN 0.570 nan 8.380 nan 0.000 0.553 278 R N 0.318 120.830 120.500 0.021 0.000 2.537 278 R HA 0.258 4.597 4.340 -0.001 0.000 0.280 278 R C -0.346 175.769 176.300 -0.308 0.000 1.058 278 R CA -0.175 55.691 56.100 -0.390 0.000 1.057 278 R CB 0.301 30.396 30.300 -0.342 0.000 0.973 278 R HN 0.159 nan 8.270 nan 0.000 0.438 279 L N 7.594 128.557 121.223 -0.433 0.000 2.316 279 L HA 0.394 4.733 4.340 -0.001 0.000 0.280 279 L C -2.123 174.360 176.870 -0.644 0.000 1.006 279 L CA -2.273 52.290 54.840 -0.462 0.000 0.836 279 L CB 1.902 43.638 42.059 -0.539 0.000 1.221 279 L HN 0.554 nan 8.230 nan 0.000 0.418 280 P HA 0.054 nan 4.420 nan 0.000 0.232 280 P C -0.501 176.119 177.300 -1.133 0.000 1.738 280 P CA 0.089 62.287 63.100 -1.502 0.000 0.948 280 P CB -0.351 30.664 31.700 -1.142 0.000 1.943 281 L N 1.831 122.555 121.223 -0.832 0.000 2.315 281 L HA 0.203 4.543 4.340 -0.001 0.000 0.283 281 L C 1.151 177.937 176.870 -0.141 0.000 1.089 281 L CA -0.725 53.795 54.840 -0.533 0.000 0.833 281 L CB 0.410 41.948 42.059 -0.868 0.000 1.170 281 L HN 0.042 nan 8.230 nan 0.000 0.442 282 L N 3.182 124.378 121.223 -0.044 0.000 2.514 282 L HA -0.016 4.323 4.340 -0.001 0.000 0.280 282 L C 1.591 178.671 176.870 0.351 0.000 1.223 282 L CA 0.158 55.111 54.840 0.189 0.000 0.864 282 L CB 0.724 42.739 42.059 -0.072 0.000 1.118 282 L HN 0.735 nan 8.230 nan 0.000 0.494 283 T N -4.235 110.533 114.554 0.357 0.000 3.040 283 T HA -0.075 4.274 4.350 -0.001 0.000 0.252 283 T C 1.509 176.404 174.700 0.325 0.000 1.064 283 T CA 0.563 62.848 62.100 0.308 0.000 1.110 283 T CB -0.153 68.863 68.868 0.247 0.000 0.921 283 T HN 0.750 nan 8.240 nan 0.000 0.480 284 T N -1.074 113.634 114.554 0.256 0.000 3.118 284 T HA 0.226 4.576 4.350 -0.001 0.000 0.260 284 T C 0.455 175.223 174.700 0.113 0.000 1.139 284 T CA 0.037 62.226 62.100 0.148 0.000 1.085 284 T CB -0.208 68.669 68.868 0.015 0.000 0.934 284 T HN 0.465 nan 8.240 nan 0.000 0.518 285 K N 0.956 121.444 120.400 0.147 0.000 2.565 285 K HA 0.327 4.647 4.320 -0.001 0.000 0.251 285 K C -0.908 175.786 176.600 0.155 0.000 0.956 285 K CA -0.787 55.575 56.287 0.126 0.000 0.809 285 K CB 2.039 34.601 32.500 0.103 0.000 1.267 285 K HN 0.174 nan 8.250 nan 0.000 0.438 286 R N 3.046 123.629 120.500 0.138 0.000 2.502 286 R HA 0.092 4.432 4.340 -0.001 0.000 0.292 286 R C -0.964 175.494 176.300 0.262 0.000 0.998 286 R CA -0.044 56.168 56.100 0.186 0.000 1.056 286 R CB 0.431 30.791 30.300 0.100 0.000 0.939 286 R HN 0.228 nan 8.270 nan 0.000 0.411 287 V N 6.518 126.656 119.914 0.373 0.000 2.439 287 V HA 0.131 4.250 4.120 -0.001 0.000 0.282 287 V C 0.046 176.369 176.094 0.381 0.000 1.039 287 V CA -0.620 61.861 62.300 0.303 0.000 0.913 287 V CB 1.105 33.020 31.823 0.154 0.000 0.983 287 V HN 0.673 nan 8.190 nan 0.000 0.460 288 F N 6.029 126.099 119.950 0.200 0.000 2.685 288 F HA 0.059 4.586 4.527 -0.001 0.000 0.349 288 F C 1.060 176.895 175.800 0.058 0.000 1.294 288 F CA -0.836 57.269 58.000 0.174 0.000 1.201 288 F CB -0.407 38.730 39.000 0.228 0.000 1.615 288 F HN 0.817 nan 8.300 nan 0.000 0.674 289 W N 4.989 126.228 121.300 -0.103 0.000 2.335 289 W HA -0.264 4.396 4.660 -0.001 0.000 0.311 289 W C 1.874 178.116 176.519 -0.463 0.000 1.213 289 W CA 1.774 58.925 57.345 -0.323 0.000 1.274 289 W CB -0.235 29.084 29.460 -0.235 0.000 1.148 289 W HN 0.495 nan 8.180 nan 0.000 0.498 290 R N 0.394 120.528 120.500 -0.609 0.000 2.091 290 R HA -0.141 4.198 4.340 -0.001 0.000 0.238 290 R C 2.600 178.306 176.300 -0.990 0.000 1.136 290 R CA 2.191 57.860 56.100 -0.718 0.000 0.959 290 R CB -1.052 29.089 30.300 -0.266 0.000 0.856 290 R HN 0.269 nan 8.270 nan 0.000 0.437 291 G N -0.246 107.575 108.800 -1.632 0.000 2.418 291 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.217 291 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.217 291 G C 1.410 175.914 174.900 -0.660 0.000 1.158 291 G CA 0.791 45.230 45.100 -1.103 0.000 0.771 291 G HN 0.214 nan 8.290 nan 0.000 0.545 292 V N 0.228 119.557 119.914 -0.974 0.000 2.287 292 V HA -0.253 3.866 4.120 -0.001 0.000 0.248 292 V C 2.968 178.532 176.094 -0.883 0.000 1.053 292 V CA 1.920 63.545 62.300 -1.125 0.000 1.027 292 V CB -0.734 30.361 31.823 -1.214 0.000 0.646 292 V HN 0.587 nan 8.190 nan 0.000 0.447 293 C N -0.076 118.522 119.300 -1.169 0.000 2.453 293 C HA -0.107 4.352 4.460 -0.001 0.000 0.277 293 C C 2.814 177.485 174.990 -0.531 0.000 1.262 293 C CA 1.055 59.478 59.018 -0.991 0.000 1.718 293 C CB -0.995 25.986 27.740 -1.265 0.000 2.031 293 C HN 0.603 nan 8.230 nan 0.000 0.480 294 E N 0.469 120.374 120.200 -0.493 0.000 2.077 294 E HA -0.221 4.129 4.350 -0.001 0.000 0.193 294 E C 2.114 178.548 176.600 -0.278 0.000 0.989 294 E CA 1.364 57.577 56.400 -0.312 0.000 0.800 294 E CB -0.629 28.889 29.700 -0.303 0.000 0.746 294 E HN 0.779 nan 8.360 nan 0.000 0.452 295 E N 0.667 120.646 120.200 -0.369 0.000 2.051 295 E HA -0.189 4.160 4.350 -0.001 0.000 0.192 295 E C 2.334 178.635 176.600 -0.497 0.000 0.991 295 E CA 0.706 56.833 56.400 -0.455 0.000 0.799 295 E CB -0.068 29.409 29.700 -0.372 0.000 0.748 295 E HN 0.091 nan 8.360 nan 0.000 0.449 296 L N 0.842 121.872 121.223 -0.322 0.000 2.017 296 L HA -0.180 4.159 4.340 -0.001 0.000 0.208 296 L C 2.342 179.235 176.870 0.039 0.000 1.073 296 L CA 1.389 56.184 54.840 -0.075 0.000 0.745 296 L CB -0.252 41.782 42.059 -0.042 0.000 0.894 296 L HN 0.199 nan 8.230 nan 0.000 0.432 297 L N -1.870 119.350 121.223 -0.004 0.000 2.079 297 L HA -0.255 4.085 4.340 -0.001 0.000 0.210 297 L C 2.355 179.294 176.870 0.114 0.000 1.081 297 L CA 1.713 56.599 54.840 0.075 0.000 0.752 297 L CB -0.760 41.335 42.059 0.059 0.000 0.896 297 L HN 0.533 nan 8.230 nan 0.000 0.433 298 W N 0.371 121.573 121.300 -0.163 0.000 2.358 298 W HA -0.220 4.440 4.660 -0.001 0.000 0.303 298 W C 2.218 178.666 176.519 -0.119 0.000 1.208 298 W CA 1.196 58.437 57.345 -0.174 0.000 1.274 298 W CB -0.155 29.128 29.460 -0.294 0.000 1.138 298 W HN -0.029 nan 8.180 nan 0.000 0.515 299 F N 0.363 120.327 119.950 0.024 0.000 2.075 299 F HA -0.204 4.323 4.527 -0.001 0.000 0.297 299 F C 2.391 178.035 175.800 -0.261 0.000 1.113 299 F CA 1.423 59.207 58.000 -0.359 0.000 1.218 299 F CB -1.570 37.102 39.000 -0.546 0.000 0.984 299 F HN -0.173 nan 8.300 nan 0.000 0.472 300 L N -0.521 120.831 121.223 0.214 0.000 2.079 300 L HA -0.225 4.115 4.340 -0.001 0.000 0.210 300 L C 2.460 179.390 176.870 0.100 0.000 1.081 300 L CA 1.293 56.270 54.840 0.229 0.000 0.752 300 L CB -0.395 41.791 42.059 0.212 0.000 0.896 300 L HN 0.081 nan 8.230 nan 0.000 0.433 301 R N -0.396 120.126 120.500 0.036 0.000 2.307 301 R HA 0.000 4.340 4.340 -0.001 0.000 0.199 301 R C 1.151 177.420 176.300 -0.051 0.000 1.000 301 R CA 0.595 56.695 56.100 0.000 0.000 1.023 301 R CB -0.034 30.266 30.300 -0.001 0.000 0.908 301 R HN 0.492 nan 8.270 nan 0.000 0.473 302 G N 1.656 110.387 108.800 -0.114 0.000 2.176 302 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.252 302 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.252 302 G C -0.278 174.508 174.900 -0.191 0.000 1.024 302 G CA -0.066 44.960 45.100 -0.124 0.000 0.755 302 G HN 0.261 nan 8.290 nan 0.000 0.507 303 E N -0.271 119.628 120.200 -0.502 0.000 2.392 303 E HA 0.455 4.805 4.350 -0.001 0.000 0.259 303 E C 1.375 177.453 176.600 -0.869 0.000 1.108 303 E CA 0.688 56.662 56.400 -0.709 0.000 0.916 303 E CB 0.952 29.930 29.700 -1.205 0.000 0.989 303 E HN 0.662 nan 8.360 nan 0.000 0.432 304 T N -2.781 111.529 114.554 -0.406 0.000 3.131 304 T HA 0.020 4.369 4.350 -0.001 0.000 0.283 304 T C -0.076 174.692 174.700 0.113 0.000 0.906 304 T CA -0.359 61.607 62.100 -0.223 0.000 0.882 304 T CB -0.209 68.563 68.868 -0.160 0.000 1.208 304 T HN 0.317 nan 8.240 nan 0.000 0.561 305 Y N 2.920 123.245 120.300 0.042 0.000 2.477 305 Y HA 0.725 5.275 4.550 -0.001 0.000 0.349 305 Y C 1.335 177.360 175.900 0.208 0.000 0.977 305 Y CA -1.867 56.214 58.100 -0.031 0.000 1.214 305 Y CB 0.715 39.033 38.460 -0.236 0.000 1.124 305 Y HN 0.245 nan 8.280 nan 0.000 0.521 306 A N 5.099 127.890 122.820 -0.049 0.000 2.121 306 A HA -0.112 4.208 4.320 -0.001 0.000 0.218 306 A C 2.240 179.587 177.584 -0.395 0.000 1.154 306 A CA 1.201 53.091 52.037 -0.244 0.000 0.679 306 A CB -0.374 18.512 19.000 -0.190 0.000 0.795 306 A HN 0.801 nan 8.150 nan 0.000 0.458 307 K N 0.311 120.297 120.400 -0.690 0.000 2.209 307 K HA -0.139 4.181 4.320 -0.001 0.000 0.204 307 K C 1.748 178.127 176.600 -0.370 0.000 1.048 307 K CA 1.443 57.350 56.287 -0.633 0.000 0.940 307 K CB -0.150 31.747 32.500 -1.005 0.000 0.729 307 K HN 0.445 nan 8.250 nan 0.000 0.451 308 K N 0.317 120.570 120.400 -0.246 0.000 2.211 308 K HA -0.130 4.189 4.320 -0.001 0.000 0.204 308 K C 1.922 178.433 176.600 -0.148 0.000 1.047 308 K CA 1.198 57.464 56.287 -0.035 0.000 0.935 308 K CB 0.001 32.637 32.500 0.226 0.000 0.728 308 K HN 0.217 nan 8.250 nan 0.000 0.452 309 L N 0.100 121.129 121.223 -0.324 0.000 2.202 309 L HA -0.084 4.256 4.340 -0.001 0.000 0.205 309 L C 2.491 179.153 176.870 -0.347 0.000 1.083 309 L CA 0.783 55.383 54.840 -0.400 0.000 0.790 309 L CB -0.374 41.315 42.059 -0.618 0.000 0.942 309 L HN 0.178 nan 8.230 nan 0.000 0.452 310 S N -0.970 114.518 115.700 -0.353 0.000 2.419 310 S HA -0.171 4.299 4.470 -0.001 0.000 0.233 310 S C 1.414 175.813 174.600 -0.336 0.000 1.016 310 S CA 1.185 59.118 58.200 -0.444 0.000 0.974 310 S CB -0.400 62.635 63.200 -0.274 0.000 0.786 310 S HN 0.332 nan 8.310 nan 0.000 0.492 311 D N 2.094 122.373 120.400 -0.202 0.000 2.310 311 D HA 0.027 4.667 4.640 -0.001 0.000 0.212 311 D C 1.160 177.410 176.300 -0.084 0.000 0.965 311 D CA 0.911 54.846 54.000 -0.108 0.000 0.879 311 D CB -0.118 40.642 40.800 -0.066 0.000 0.921 311 D HN 0.614 nan 8.370 nan 0.000 0.510 312 K N -0.434 119.898 120.400 -0.115 0.000 2.437 312 K HA 0.338 4.657 4.320 -0.001 0.000 0.205 312 K C 0.879 177.442 176.600 -0.061 0.000 1.026 312 K CA 0.149 56.393 56.287 -0.073 0.000 1.153 312 K CB 0.926 33.377 32.500 -0.082 0.000 0.863 312 K HN -0.010 nan 8.250 nan 0.000 0.502 313 G N 1.178 109.909 108.800 -0.115 0.000 2.160 313 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.251 313 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.251 313 G C -0.018 174.854 174.900 -0.046 0.000 1.008 313 G CA -0.033 45.039 45.100 -0.047 0.000 0.724 313 G HN 0.180 nan 8.290 nan 0.000 0.514 314 V N 0.535 120.319 119.914 -0.216 0.000 2.304 314 V HA 0.432 4.552 4.120 -0.001 0.000 0.269 314 V C 0.723 176.670 176.094 -0.245 0.000 1.036 314 V CA -0.433 61.828 62.300 -0.065 0.000 0.840 314 V CB 0.924 32.675 31.823 -0.120 0.000 1.036 314 V HN 0.428 nan 8.190 nan 0.000 0.466 315 H N 3.875 122.962 119.070 0.028 0.000 2.505 315 H HA 0.236 4.792 4.556 -0.001 0.000 0.289 315 H C 1.853 177.140 175.328 -0.069 0.000 1.052 315 H CA 0.008 56.038 56.048 -0.031 0.000 1.156 315 H CB 0.215 29.953 29.762 -0.040 0.000 1.507 315 H HN 0.771 nan 8.280 nan 0.000 0.548 316 I N -2.835 117.719 120.570 -0.026 0.000 2.454 316 I HA -0.164 4.005 4.170 -0.001 0.000 0.254 316 I C 1.011 176.919 176.117 -0.347 0.000 1.156 316 I CA 1.356 62.529 61.300 -0.213 0.000 1.433 316 I CB -0.147 37.650 38.000 -0.338 0.000 1.082 316 I HN 0.145 nan 8.210 nan 0.000 0.432 317 W N 1.526 122.719 121.300 -0.178 0.000 3.278 317 W HA 0.154 4.813 4.660 -0.001 0.000 0.308 317 W C 1.634 178.073 176.519 -0.133 0.000 1.253 317 W CA -0.252 56.992 57.345 -0.169 0.000 1.759 317 W CB -0.052 29.270 29.460 -0.231 0.000 1.093 317 W HN 0.067 nan 8.180 nan 0.000 0.648 318 D N 0.673 121.112 120.400 0.064 0.000 2.116 318 D HA -0.230 4.410 4.640 -0.001 0.000 0.193 318 D C 1.603 177.913 176.300 0.017 0.000 0.998 318 D CA 1.818 55.850 54.000 0.052 0.000 0.836 318 D CB -0.261 40.586 40.800 0.078 0.000 0.951 318 D HN 0.012 nan 8.370 nan 0.000 0.449 319 D N -0.151 120.219 120.400 -0.050 0.000 2.117 319 D HA -0.080 4.559 4.640 -0.001 0.000 0.197 319 D C 1.419 177.590 176.300 -0.215 0.000 0.987 319 D CA 0.736 54.675 54.000 -0.102 0.000 0.829 319 D CB -0.260 40.451 40.800 -0.150 0.000 0.961 319 D HN 0.214 nan 8.370 nan 0.000 0.460 320 N N -0.278 118.252 118.700 -0.283 0.000 2.398 320 N HA 0.024 4.763 4.740 -0.001 0.000 0.188 320 N C 1.483 177.009 175.510 0.027 0.000 1.122 320 N CA 0.367 53.126 53.050 -0.485 0.000 0.866 320 N CB 0.731 39.026 38.487 -0.320 0.000 0.970 320 N HN 0.148 nan 8.380 nan 0.000 0.462 321 G N 0.164 109.032 108.800 0.113 0.000 3.159 321 G HA2 -0.015 3.944 3.960 -0.001 0.000 0.232 321 G HA3 -0.015 3.944 3.960 -0.001 0.000 0.232 321 G C 0.477 175.476 174.900 0.165 0.000 1.116 321 G CA -0.151 45.048 45.100 0.166 0.000 0.767 321 G HN 0.263 nan 8.290 nan 0.000 0.547 322 S N 0.024 115.821 115.700 0.161 0.000 2.579 322 S HA 0.241 4.711 4.470 -0.001 0.000 0.275 322 S C 1.522 176.235 174.600 0.189 0.000 1.345 322 S CA -0.235 58.058 58.200 0.155 0.000 1.031 322 S CB 1.995 65.276 63.200 0.136 0.000 0.892 322 S HN 0.188 nan 8.310 nan 0.000 0.529 323 R N 2.283 122.870 120.500 0.147 0.000 2.096 323 R HA -0.154 4.186 4.340 -0.001 0.000 0.240 323 R C 2.272 178.648 176.300 0.127 0.000 1.139 323 R CA 2.405 58.585 56.100 0.133 0.000 0.952 323 R CB -1.527 28.834 30.300 0.101 0.000 0.854 323 R HN 0.870 nan 8.270 nan 0.000 0.436 324 A N -0.419 122.477 122.820 0.125 0.000 1.865 324 A HA -0.163 4.157 4.320 -0.001 0.000 0.217 324 A C 2.289 179.949 177.584 0.127 0.000 1.191 324 A CA 1.617 53.719 52.037 0.109 0.000 0.623 324 A CB -1.008 18.056 19.000 0.107 0.000 0.826 324 A HN 0.500 nan 8.150 nan 0.000 0.444 325 F N 0.346 120.333 119.950 0.062 0.000 2.146 325 F HA -0.076 4.451 4.527 -0.001 0.000 0.298 325 F C 1.982 177.828 175.800 0.076 0.000 1.096 325 F CA 1.531 59.573 58.000 0.070 0.000 1.275 325 F CB -0.179 38.873 39.000 0.086 0.000 1.008 325 F HN 0.129 nan 8.300 nan 0.000 0.480 326 L N -0.204 121.193 121.223 0.290 0.000 2.046 326 L HA -0.246 4.093 4.340 -0.001 0.000 0.208 326 L C 2.125 179.015 176.870 0.034 0.000 1.077 326 L CA 1.464 56.424 54.840 0.201 0.000 0.747 326 L CB -0.853 41.357 42.059 0.251 0.000 0.896 326 L HN 0.065 nan 8.230 nan 0.000 0.432 327 D N -0.291 120.124 120.400 0.023 0.000 2.123 327 D HA -0.171 4.468 4.640 -0.001 0.000 0.196 327 D C 2.387 178.639 176.300 -0.081 0.000 0.992 327 D CA 1.758 55.744 54.000 -0.024 0.000 0.833 327 D CB -0.160 40.640 40.800 0.000 0.000 0.954 327 D HN 0.339 nan 8.370 nan 0.000 0.455 328 S N -0.212 115.407 115.700 -0.135 0.000 2.474 328 S HA -0.106 4.364 4.470 -0.001 0.000 0.235 328 S C 1.833 176.286 174.600 -0.246 0.000 0.997 328 S CA 0.605 58.684 58.200 -0.202 0.000 0.949 328 S CB 0.056 63.087 63.200 -0.283 0.000 0.766 328 S HN -0.036 nan 8.310 nan 0.000 0.517 329 R N 0.825 121.175 120.500 -0.251 0.000 2.317 329 R HA 0.333 4.672 4.340 -0.001 0.000 0.208 329 R C 1.470 177.699 176.300 -0.119 0.000 0.914 329 R CA 0.579 56.566 56.100 -0.189 0.000 1.060 329 R CB -0.531 29.686 30.300 -0.139 0.000 1.015 329 R HN 0.581 nan 8.270 nan 0.000 0.498 330 G N 0.127 108.858 108.800 -0.115 0.000 2.159 330 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.256 330 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.256 330 G C 0.005 174.817 174.900 -0.148 0.000 0.977 330 G CA 0.349 45.384 45.100 -0.109 0.000 0.652 330 G HN 0.287 nan 8.290 nan 0.000 0.531 331 L N 2.245 123.372 121.223 -0.161 0.000 2.719 331 L HA 0.289 4.629 4.340 -0.001 0.000 0.236 331 L C 2.053 178.794 176.870 -0.216 0.000 1.285 331 L CA 0.322 54.972 54.840 -0.315 0.000 1.222 331 L CB -0.012 41.874 42.059 -0.289 0.000 1.493 331 L HN 0.343 nan 8.230 nan 0.000 0.415 332 T N -4.551 109.912 114.554 -0.151 0.000 3.085 332 T HA -0.042 4.308 4.350 -0.001 0.000 0.263 332 T C 1.251 175.941 174.700 -0.016 0.000 1.127 332 T CA 0.566 62.634 62.100 -0.053 0.000 1.103 332 T CB 0.063 68.907 68.868 -0.039 0.000 0.921 332 T HN 0.468 nan 8.240 nan 0.000 0.510 333 E N -0.192 119.962 120.200 -0.077 0.000 2.385 333 E HA 0.087 4.436 4.350 -0.001 0.000 0.194 333 E C -0.456 176.307 176.600 0.272 0.000 1.013 333 E CA -0.077 56.357 56.400 0.056 0.000 0.866 333 E CB 0.104 29.810 29.700 0.009 0.000 0.832 333 E HN 0.513 nan 8.360 nan 0.000 0.500 334 Y N 2.414 122.810 120.300 0.160 0.000 2.425 334 Y HA 0.092 4.642 4.550 -0.001 0.000 0.331 334 Y C 0.762 176.793 175.900 0.219 0.000 1.157 334 Y CA -1.070 57.164 58.100 0.224 0.000 1.372 334 Y CB 0.074 38.644 38.460 0.183 0.000 1.253 334 Y HN -0.100 nan 8.280 nan 0.000 0.536 335 E N 1.007 121.461 120.200 0.423 0.000 2.418 335 E HA -0.009 4.340 4.350 -0.001 0.000 0.261 335 E C -0.286 176.493 176.600 0.298 0.000 1.070 335 E CA -0.334 56.248 56.400 0.304 0.000 0.931 335 E CB 0.435 30.311 29.700 0.295 0.000 0.954 335 E HN 0.512 nan 8.360 nan 0.000 0.439 336 E N 1.922 122.263 120.200 0.235 0.000 2.529 336 E HA -0.173 4.176 4.350 -0.001 0.000 0.259 336 E C 0.005 176.719 176.600 0.190 0.000 0.966 336 E CA 0.305 56.821 56.400 0.194 0.000 0.937 336 E CB 0.223 30.009 29.700 0.143 0.000 0.923 336 E HN 0.428 nan 8.360 nan 0.000 0.468 337 M N 0.886 120.568 119.600 0.137 0.000 2.961 337 M HA -0.227 4.253 4.480 -0.001 0.000 0.198 337 M C -0.414 175.945 176.300 0.099 0.000 0.610 337 M CA 0.712 56.033 55.300 0.035 0.000 0.755 337 M CB -2.085 30.399 32.600 -0.194 0.000 2.707 337 M HN 0.559 nan 8.290 nan 0.000 0.299 338 D N 1.775 122.299 120.400 0.208 0.000 2.336 338 D HA 0.433 5.072 4.640 -0.001 0.000 0.249 338 D C 0.948 177.238 176.300 -0.016 0.000 1.213 338 D CA -0.005 54.071 54.000 0.126 0.000 0.870 338 D CB 0.504 41.400 40.800 0.161 0.000 1.076 338 D HN 0.436 nan 8.370 nan 0.000 0.483 339 L N 3.045 124.210 121.223 -0.095 0.000 2.558 339 L HA 0.251 4.590 4.340 -0.001 0.000 0.225 339 L C 1.549 178.257 176.870 -0.271 0.000 1.128 339 L CA 0.208 54.989 54.840 -0.098 0.000 0.868 339 L CB -0.541 41.432 42.059 -0.144 0.000 1.006 339 L HN 0.629 nan 8.230 nan 0.000 0.454 340 G N 1.106 109.480 108.800 -0.709 0.000 2.681 340 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.220 340 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.220 340 G C -2.505 171.574 174.900 -1.368 0.000 1.353 340 G CA -0.453 43.952 45.100 -1.158 0.000 0.872 340 G HN 0.033 nan 8.290 nan 0.000 0.557 341 P HA 0.321 nan 4.420 nan 0.000 0.225 341 P C 0.750 177.736 177.300 -0.524 0.000 1.768 341 P CA 0.515 62.848 63.100 -1.278 0.000 0.943 341 P CB -0.505 30.544 31.700 -1.086 0.000 1.936 342 V N -2.433 117.229 119.914 -0.421 0.000 2.953 342 V HA 0.185 4.304 4.120 -0.001 0.000 0.304 342 V C 1.240 177.244 176.094 -0.151 0.000 1.073 342 V CA -0.477 61.669 62.300 -0.257 0.000 1.064 342 V CB -0.472 31.253 31.823 -0.163 0.000 1.047 342 V HN 0.207 nan 8.190 nan 0.000 0.478 343 Y N 2.610 122.806 120.300 -0.173 0.000 2.680 343 Y HA -0.410 4.140 4.550 -0.001 0.000 0.476 343 Y C 2.413 177.855 175.900 -0.765 0.000 1.039 343 Y CA 2.954 60.780 58.100 -0.457 0.000 3.017 343 Y CB -2.131 35.940 38.460 -0.648 0.000 1.054 343 Y HN 0.847 nan 8.280 nan 0.000 0.603 344 G N -1.377 107.012 108.800 -0.685 0.000 2.450 344 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.220 344 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.220 344 G C 1.419 176.206 174.900 -0.188 0.000 1.130 344 G CA 1.060 45.773 45.100 -0.646 0.000 0.760 344 G HN 0.492 nan 8.290 nan 0.000 0.557 345 F N 1.097 120.901 119.950 -0.243 0.000 2.134 345 F HA -0.107 4.419 4.527 -0.001 0.000 0.299 345 F C 2.887 178.687 175.800 -0.000 0.000 1.097 345 F CA 1.838 59.774 58.000 -0.107 0.000 1.264 345 F CB 0.104 38.971 39.000 -0.222 0.000 1.001 345 F HN 0.087 nan 8.300 nan 0.000 0.479 346 Q N -0.567 119.352 119.800 0.199 0.000 2.119 346 Q HA -0.187 4.152 4.340 -0.001 0.000 0.201 346 Q C 2.079 178.335 176.000 0.426 0.000 0.972 346 Q CA 1.426 57.395 55.803 0.277 0.000 0.847 346 Q CB -0.951 27.975 28.738 0.312 0.000 0.903 346 Q HN 0.525 nan 8.270 nan 0.000 0.433 347 W N 1.464 122.826 121.300 0.103 0.000 2.335 347 W HA -0.137 4.522 4.660 -0.001 0.000 0.311 347 W C 2.047 178.491 176.519 -0.125 0.000 1.213 347 W CA 0.881 58.229 57.345 0.005 0.000 1.274 347 W CB -0.449 28.936 29.460 -0.124 0.000 1.148 347 W HN 0.164 nan 8.180 nan 0.000 0.498 348 R N -1.779 118.695 120.500 -0.043 0.000 2.237 348 R HA 0.070 4.409 4.340 -0.001 0.000 0.195 348 R C 0.316 176.183 176.300 -0.721 0.000 0.956 348 R CA 0.772 56.622 56.100 -0.417 0.000 1.029 348 R CB -0.603 29.329 30.300 -0.613 0.000 0.972 348 R HN 0.299 nan 8.270 nan 0.000 0.493 349 H N -0.795 118.112 119.070 -0.273 0.000 2.779 349 H HA 0.152 4.707 4.556 -0.001 0.000 0.230 349 H C -0.762 174.443 175.328 -0.205 0.000 1.365 349 H CA -0.986 54.822 56.048 -0.400 0.000 1.086 349 H CB -0.447 28.704 29.762 -1.018 0.000 2.038 349 H HN -0.063 nan 8.280 nan 0.000 0.558 350 F N 2.038 121.976 119.950 -0.020 0.000 2.612 350 F HA 0.235 4.761 4.527 -0.001 0.000 0.389 350 F C 1.506 177.361 175.800 0.091 0.000 1.055 350 F CA 2.052 60.096 58.000 0.074 0.000 1.232 350 F CB 0.435 39.493 39.000 0.097 0.000 1.044 350 F HN 0.609 nan 8.300 nan 0.000 0.560 351 G N 3.444 112.045 108.800 -0.332 0.000 2.199 351 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.254 351 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.254 351 G C 0.283 175.214 174.900 0.051 0.000 0.982 351 G CA -0.025 45.006 45.100 -0.115 0.000 0.632 351 G HN 1.358 nan 8.290 nan 0.000 0.529 352 A N 0.501 123.396 122.820 0.124 0.000 2.477 352 A HA 0.767 5.087 4.320 -0.001 0.000 0.246 352 A C 1.069 178.813 177.584 0.267 0.000 1.078 352 A CA 1.050 53.204 52.037 0.196 0.000 0.770 352 A CB 0.347 19.452 19.000 0.176 0.000 1.011 352 A HN 2.133 nan 8.150 nan 0.000 0.494 353 A N 1.631 124.574 122.820 0.205 0.000 2.511 353 A HA 0.424 4.744 4.320 -0.001 0.000 0.242 353 A C -0.359 177.381 177.584 0.260 0.000 1.069 353 A CA 0.261 52.402 52.037 0.173 0.000 0.763 353 A CB -0.189 18.877 19.000 0.109 0.000 1.001 353 A HN 0.980 nan 8.150 nan 0.000 0.498 354 Y N 1.704 122.002 120.300 -0.003 0.000 2.360 354 Y HA 0.446 4.995 4.550 -0.001 0.000 0.337 354 Y C 1.331 177.216 175.900 -0.024 0.000 1.039 354 Y CA 0.477 58.516 58.100 -0.102 0.000 1.109 354 Y CB 1.954 40.147 38.460 -0.446 0.000 1.201 354 Y HN 0.860 nan 8.280 nan 0.000 0.458 355 T N 0.539 114.833 114.554 -0.432 0.000 3.330 355 T HA 0.346 4.695 4.350 -0.001 0.000 0.240 355 T C -0.137 174.107 174.700 -0.761 0.000 0.988 355 T CA 0.138 62.010 62.100 -0.380 0.000 1.253 355 T CB 0.095 68.856 68.868 -0.179 0.000 1.163 355 T HN 0.583 nan 8.240 nan 0.000 0.382 356 H N 0.058 118.808 119.070 -0.533 0.000 2.977 356 H HA 0.365 4.920 4.556 -0.001 0.000 0.350 356 H C 0.882 175.933 175.328 -0.462 0.000 1.238 356 H CA 0.071 55.881 56.048 -0.396 0.000 1.124 356 H CB 1.604 31.233 29.762 -0.222 0.000 1.866 356 H HN 0.598 nan 8.280 nan 0.000 0.550 357 H N -0.111 118.918 119.070 -0.069 0.000 2.389 357 H HA -0.111 4.445 4.556 -0.001 0.000 0.299 357 H C 0.771 176.087 175.328 -0.019 0.000 1.081 357 H CA 1.761 57.813 56.048 0.007 0.000 1.345 357 H CB 0.104 29.858 29.762 -0.013 0.000 1.393 357 H HN 0.492 nan 8.280 nan 0.000 0.520 358 D N 1.061 120.967 120.400 -0.823 0.000 2.349 358 D HA 0.138 4.778 4.640 -0.001 0.000 0.224 358 D C 0.728 176.826 176.300 -0.335 0.000 1.029 358 D CA 0.373 54.028 54.000 -0.575 0.000 0.879 358 D CB -0.344 40.031 40.800 -0.708 0.000 0.906 358 D HN 0.593 nan 8.370 nan 0.000 0.528 359 A N 0.410 123.030 122.820 -0.335 0.000 2.304 359 A HA 0.344 4.664 4.320 -0.001 0.000 0.271 359 A C -0.016 177.201 177.584 -0.611 0.000 1.091 359 A CA -0.638 51.112 52.037 -0.479 0.000 0.812 359 A CB 0.096 18.731 19.000 -0.608 0.000 1.056 359 A HN 0.212 nan 8.150 nan 0.000 0.489 360 N N -0.453 117.899 118.700 -0.581 0.000 2.430 360 N HA 0.367 5.106 4.740 -0.001 0.000 0.265 360 N C -0.734 174.374 175.510 -0.671 0.000 1.100 360 N CA -0.022 52.743 53.050 -0.475 0.000 0.961 360 N CB 0.209 38.513 38.487 -0.305 0.000 1.075 360 N HN 0.566 nan 8.380 nan 0.000 0.478 361 Y N 0.471 120.593 120.300 -0.298 0.000 2.500 361 Y HA 0.241 4.790 4.550 -0.001 0.000 0.246 361 Y C -0.131 175.470 175.900 -0.499 0.000 1.146 361 Y CA -0.641 57.185 58.100 -0.457 0.000 1.230 361 Y CB 0.180 38.199 38.460 -0.735 0.000 1.214 361 Y HN 0.465 nan 8.280 nan 0.000 0.526 362 D N 1.062 121.244 120.400 -0.365 0.000 2.586 362 D HA 0.087 4.726 4.640 -0.001 0.000 0.234 362 D C 1.453 177.389 176.300 -0.606 0.000 1.132 362 D CA 1.911 55.480 54.000 -0.718 0.000 0.860 362 D CB 0.694 40.735 40.800 -1.266 0.000 1.159 362 D HN 0.594 nan 8.370 nan 0.000 0.490 363 G N 2.514 111.073 108.800 -0.402 0.000 2.166 363 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.260 363 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.260 363 G C 0.211 175.134 174.900 0.038 0.000 0.986 363 G CA 0.189 45.271 45.100 -0.029 0.000 0.683 363 G HN 0.575 nan 8.290 nan 0.000 0.527 364 Q N -0.437 119.394 119.800 0.051 0.000 2.274 364 Q HA 0.557 4.896 4.340 -0.001 0.000 0.260 364 Q C 0.844 176.931 176.000 0.145 0.000 0.974 364 Q CA -0.088 55.762 55.803 0.079 0.000 0.876 364 Q CB 1.807 30.575 28.738 0.050 0.000 1.297 364 Q HN 1.475 nan 8.270 nan 0.000 0.446 365 G N 0.201 109.074 108.800 0.123 0.000 2.752 365 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.234 365 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.234 365 G C -0.654 174.329 174.900 0.139 0.000 1.367 365 G CA -0.654 44.531 45.100 0.140 0.000 0.879 365 G HN 0.495 nan 8.290 nan 0.000 0.563 366 V N 0.956 120.976 119.914 0.176 0.000 2.406 366 V HA 0.390 4.509 4.120 -0.001 0.000 0.272 366 V C 0.264 176.402 176.094 0.074 0.000 1.043 366 V CA -0.060 62.317 62.300 0.128 0.000 0.915 366 V CB 1.631 33.532 31.823 0.131 0.000 0.988 366 V HN 0.742 nan 8.190 nan 0.000 0.466 367 D N 4.132 124.545 120.400 0.022 0.000 2.453 367 D HA 0.161 4.801 4.640 -0.001 0.000 0.223 367 D C 1.121 177.419 176.300 -0.004 0.000 1.183 367 D CA 0.098 54.077 54.000 -0.035 0.000 0.933 367 D CB 1.070 41.845 40.800 -0.041 0.000 1.038 367 D HN 0.618 nan 8.370 nan 0.000 0.513 368 Q N 2.660 122.468 119.800 0.015 0.000 2.123 368 Q HA -0.098 4.241 4.340 -0.001 0.000 0.199 368 Q C 1.746 177.736 176.000 -0.017 0.000 0.966 368 Q CA 0.657 56.479 55.803 0.031 0.000 0.845 368 Q CB 0.451 29.250 28.738 0.102 0.000 0.907 368 Q HN 0.554 nan 8.270 nan 0.000 0.439 369 I N 1.283 121.794 120.570 -0.098 0.000 2.179 369 I HA -0.235 3.934 4.170 -0.001 0.000 0.242 369 I C 2.305 178.376 176.117 -0.077 0.000 1.088 369 I CA 1.393 62.606 61.300 -0.145 0.000 1.357 369 I CB -0.932 36.966 38.000 -0.169 0.000 1.051 369 I HN 0.139 nan 8.210 nan 0.000 0.409 370 K N 1.518 121.891 120.400 -0.044 0.000 2.032 370 K HA -0.146 4.174 4.320 -0.001 0.000 0.209 370 K C 2.173 178.763 176.600 -0.017 0.000 1.048 370 K CA 1.867 58.143 56.287 -0.019 0.000 0.927 370 K CB -0.301 32.202 32.500 0.004 0.000 0.712 370 K HN 0.261 nan 8.250 nan 0.000 0.441 371 A N 0.487 123.302 122.820 -0.008 0.000 1.902 371 A HA -0.102 4.217 4.320 -0.001 0.000 0.217 371 A C 2.232 179.812 177.584 -0.007 0.000 1.181 371 A CA 1.665 53.702 52.037 0.001 0.000 0.623 371 A CB -0.634 18.374 19.000 0.014 0.000 0.818 371 A HN 0.357 nan 8.150 nan 0.000 0.443 372 I N -0.499 120.065 120.570 -0.009 0.000 2.179 372 I HA -0.223 3.946 4.170 -0.001 0.000 0.242 372 I C 2.358 178.420 176.117 -0.093 0.000 1.088 372 I CA 1.142 62.427 61.300 -0.026 0.000 1.357 372 I CB -0.245 37.757 38.000 0.003 0.000 1.051 372 I HN 0.156 nan 8.210 nan 0.000 0.409 373 V N 0.519 120.369 119.914 -0.107 0.000 2.332 373 V HA -0.252 3.867 4.120 -0.001 0.000 0.248 373 V C 2.476 178.527 176.094 -0.071 0.000 1.055 373 V CA 1.729 63.964 62.300 -0.110 0.000 1.038 373 V CB -0.597 31.174 31.823 -0.087 0.000 0.651 373 V HN 0.406 nan 8.190 nan 0.000 0.450 374 E N -0.010 120.163 120.200 -0.045 0.000 2.072 374 E HA -0.130 4.220 4.350 -0.001 0.000 0.190 374 E C 2.344 178.926 176.600 -0.031 0.000 0.982 374 E CA 1.704 58.085 56.400 -0.031 0.000 0.803 374 E CB -0.622 29.067 29.700 -0.017 0.000 0.755 374 E HN 0.606 nan 8.360 nan 0.000 0.453 375 T N 1.962 116.499 114.554 -0.028 0.000 2.821 375 T HA -0.042 4.308 4.350 -0.001 0.000 0.267 375 T C 2.138 176.819 174.700 -0.033 0.000 1.046 375 T CA 0.574 62.662 62.100 -0.021 0.000 1.139 375 T CB -0.203 68.662 68.868 -0.006 0.000 0.871 375 T HN 0.068 nan 8.240 nan 0.000 0.454 376 L N 0.396 121.588 121.223 -0.051 0.000 2.127 376 L HA -0.108 4.231 4.340 -0.001 0.000 0.211 376 L C 2.588 179.424 176.870 -0.056 0.000 1.089 376 L CA 1.342 56.143 54.840 -0.064 0.000 0.757 376 L CB -0.372 41.621 42.059 -0.109 0.000 0.899 376 L HN 0.234 nan 8.230 nan 0.000 0.434 377 K N -1.023 119.346 120.400 -0.051 0.000 2.186 377 K HA -0.057 4.263 4.320 -0.001 0.000 0.202 377 K C 2.023 178.602 176.600 -0.035 0.000 1.052 377 K CA 1.667 57.928 56.287 -0.043 0.000 0.965 377 K CB 0.070 32.545 32.500 -0.041 0.000 0.746 377 K HN 0.455 nan 8.250 nan 0.000 0.457 378 T N -1.815 112.720 114.554 -0.031 0.000 3.046 378 T HA 0.104 4.453 4.350 -0.001 0.000 0.242 378 T C 0.797 175.482 174.700 -0.025 0.000 1.018 378 T CA -0.016 62.069 62.100 -0.025 0.000 1.131 378 T CB 0.160 69.016 68.868 -0.020 0.000 0.904 378 T HN -0.107 nan 8.240 nan 0.000 0.459 379 N N 2.337 121.021 118.700 -0.027 0.000 2.790 379 N HA 0.268 5.008 4.740 -0.001 0.000 0.256 379 N C -2.383 173.105 175.510 -0.038 0.000 1.409 379 N CA -1.202 51.831 53.050 -0.028 0.000 0.799 379 N CB 2.007 40.482 38.487 -0.020 0.000 1.170 379 N HN 0.272 nan 8.380 nan 0.000 0.507 380 P HA -0.045 nan 4.420 nan 0.000 0.225 380 P C 0.340 177.577 177.300 -0.104 0.000 1.148 380 P CA 0.956 64.013 63.100 -0.071 0.000 0.779 380 P CB 0.578 32.232 31.700 -0.076 0.000 0.780 381 D N -0.155 120.192 120.400 -0.089 0.000 2.363 381 D HA -0.032 4.608 4.640 -0.001 0.000 0.220 381 D C 0.435 176.699 176.300 -0.059 0.000 0.994 381 D CA 0.459 54.400 54.000 -0.100 0.000 0.890 381 D CB -0.773 39.987 40.800 -0.068 0.000 0.906 381 D HN 0.260 nan 8.370 nan 0.000 0.530 382 D N 0.076 120.455 120.400 -0.034 0.000 2.472 382 D HA -0.024 4.615 4.640 -0.001 0.000 0.237 382 D C 0.793 177.104 176.300 0.019 0.000 1.141 382 D CA 0.283 54.281 54.000 -0.004 0.000 0.875 382 D CB 0.650 41.452 40.800 0.004 0.000 1.192 382 D HN -0.091 nan 8.370 nan 0.000 0.450 383 R N 2.529 123.047 120.500 0.030 0.000 2.546 383 R HA 0.222 4.561 4.340 -0.001 0.000 0.320 383 R C 0.544 176.870 176.300 0.044 0.000 1.021 383 R CA -0.041 56.089 56.100 0.050 0.000 1.088 383 R CB 0.562 30.889 30.300 0.045 0.000 1.278 383 R HN 0.319 nan 8.270 nan 0.000 0.557 384 R N 0.137 120.662 120.500 0.041 0.000 2.596 384 R HA 0.297 4.636 4.340 -0.001 0.000 0.369 384 R C 0.092 176.426 176.300 0.056 0.000 1.042 384 R CA -0.151 55.969 56.100 0.033 0.000 1.120 384 R CB 0.596 30.907 30.300 0.019 0.000 1.353 384 R HN 0.010 nan 8.270 nan 0.000 0.564 385 M N 1.916 121.572 119.600 0.093 0.000 3.436 385 M HA 0.182 4.662 4.480 -0.001 0.000 0.240 385 M C -1.028 175.400 176.300 0.214 0.000 1.469 385 M CA 0.252 55.648 55.300 0.160 0.000 1.622 385 M CB -0.058 32.657 32.600 0.191 0.000 1.098 385 M HN -0.068 nan 8.290 nan 0.000 0.568 386 L N 1.898 123.199 121.223 0.131 0.000 2.354 386 L HA 0.722 5.061 4.340 -0.001 0.000 0.269 386 L C -0.579 176.360 176.870 0.115 0.000 1.005 386 L CA -0.511 54.355 54.840 0.045 0.000 0.819 386 L CB 1.712 43.746 42.059 -0.040 0.000 1.311 386 L HN 0.365 nan 8.230 nan 0.000 0.423 387 F N -0.649 119.286 119.950 -0.025 0.000 2.577 387 F HA 0.913 5.439 4.527 -0.001 0.000 0.318 387 F C -0.362 175.414 175.800 -0.040 0.000 1.065 387 F CA -0.685 57.277 58.000 -0.064 0.000 0.929 387 F CB 2.023 40.941 39.000 -0.136 0.000 1.237 387 F HN 0.380 nan 8.300 nan 0.000 0.468 388 T N 0.683 115.378 114.554 0.235 0.000 2.903 388 T HA 0.691 5.041 4.350 -0.001 0.000 0.299 388 T C -0.160 174.877 174.700 0.561 0.000 1.093 388 T CA -0.015 62.248 62.100 0.270 0.000 1.002 388 T CB 1.647 70.620 68.868 0.174 0.000 1.127 388 T HN 1.115 nan 8.240 nan 0.000 0.488 389 A N 2.524 125.687 122.820 0.570 0.000 2.419 389 A HA 0.278 4.597 4.320 -0.001 0.000 0.233 389 A C 0.585 178.389 177.584 0.366 0.000 1.217 389 A CA -0.499 51.847 52.037 0.514 0.000 0.944 389 A CB 0.111 19.381 19.000 0.450 0.000 1.025 389 A HN 0.806 nan 8.150 nan 0.000 0.524 390 W N 2.551 123.990 121.300 0.231 0.000 2.351 390 W HA 0.236 4.896 4.660 -0.001 0.000 0.421 390 W C -0.614 176.044 176.519 0.231 0.000 1.000 390 W CA -0.203 57.239 57.345 0.162 0.000 1.610 390 W CB 0.088 29.616 29.460 0.114 0.000 1.700 390 W HN 0.287 nan 8.180 nan 0.000 0.351 391 N N 6.356 125.008 118.700 -0.081 0.000 2.621 391 N HA 0.223 4.963 4.740 -0.001 0.000 0.237 391 N C -1.822 173.520 175.510 -0.280 0.000 0.997 391 N CA -2.240 50.756 53.050 -0.089 0.000 0.918 391 N CB 1.445 39.700 38.487 -0.386 0.000 1.122 391 N HN 0.023 nan 8.380 nan 0.000 0.510 392 P HA -0.115 nan 4.420 nan 0.000 0.217 392 P C 0.958 178.168 177.300 -0.150 0.000 1.151 392 P CA 1.234 64.215 63.100 -0.199 0.000 0.849 392 P CB 0.389 32.080 31.700 -0.017 0.000 0.787 393 S N -0.893 114.743 115.700 -0.107 0.000 2.399 393 S HA -0.077 4.392 4.470 -0.001 0.000 0.231 393 S C 1.888 176.410 174.600 -0.131 0.000 1.022 393 S CA 1.399 59.544 58.200 -0.092 0.000 0.983 393 S CB -0.647 62.515 63.200 -0.064 0.000 0.803 393 S HN 0.198 nan 8.310 nan 0.000 0.480 394 A N 0.346 123.050 122.820 -0.194 0.000 2.303 394 A HA 0.422 4.741 4.320 -0.001 0.000 0.217 394 A C 1.752 179.200 177.584 -0.226 0.000 1.205 394 A CA -0.165 51.749 52.037 -0.204 0.000 0.875 394 A CB -0.272 18.583 19.000 -0.242 0.000 0.910 394 A HN 0.377 nan 8.150 nan 0.000 0.501 395 L N 0.037 121.098 121.223 -0.271 0.000 2.013 395 L HA -0.155 4.185 4.340 -0.001 0.000 0.212 395 L C -0.568 176.196 176.870 -0.176 0.000 1.073 395 L CA 1.726 56.392 54.840 -0.291 0.000 0.753 395 L CB -1.588 40.231 42.059 -0.401 0.000 0.890 395 L HN 0.220 nan 8.230 nan 0.000 0.432 396 P HA -0.111 nan 4.420 nan 0.000 0.225 396 P C 1.163 178.415 177.300 -0.080 0.000 1.148 396 P CA 1.102 64.147 63.100 -0.092 0.000 0.779 396 P CB -0.037 31.615 31.700 -0.081 0.000 0.780 397 R N -1.702 118.743 120.500 -0.091 0.000 2.297 397 R HA 0.237 4.576 4.340 -0.001 0.000 0.197 397 R C 0.848 177.136 176.300 -0.021 0.000 0.943 397 R CA 0.269 56.337 56.100 -0.053 0.000 1.038 397 R CB -0.184 30.078 30.300 -0.063 0.000 0.957 397 R HN 0.341 nan 8.270 nan 0.000 0.484 398 M N -0.727 118.830 119.600 -0.072 0.000 2.342 398 M HA 0.248 4.727 4.480 -0.001 0.000 0.332 398 M C 1.308 177.656 176.300 0.079 0.000 1.166 398 M CA -0.302 54.960 55.300 -0.062 0.000 1.086 398 M CB 1.617 34.139 32.600 -0.130 0.000 1.541 398 M HN -0.050 nan 8.290 nan 0.000 0.462 399 A N 3.148 126.059 122.820 0.152 0.000 1.877 399 A HA 0.114 4.433 4.320 -0.001 0.000 0.216 399 A C 0.708 178.530 177.584 0.396 0.000 1.186 399 A CA 1.276 53.511 52.037 0.330 0.000 0.620 399 A CB -0.058 19.157 19.000 0.358 0.000 0.822 399 A HN 0.701 nan 8.150 nan 0.000 0.443 400 L N -1.264 120.139 121.223 0.301 0.000 2.409 400 L HA 0.407 4.747 4.340 -0.001 0.000 0.262 400 L C -2.818 174.120 176.870 0.114 0.000 0.992 400 L CA -2.370 52.628 54.840 0.264 0.000 0.817 400 L CB 2.310 44.564 42.059 0.325 0.000 1.350 400 L HN -0.075 nan 8.230 nan 0.000 0.411 401 P HA 0.160 nan 4.420 nan 0.000 0.271 401 P C -2.540 174.795 177.300 0.059 0.000 1.218 401 P CA -1.067 62.024 63.100 -0.015 0.000 0.780 401 P CB -0.232 31.501 31.700 0.055 0.000 0.901 402 P HA -0.002 nan 4.420 nan 0.000 0.268 402 P C 0.220 177.673 177.300 0.256 0.000 1.204 402 P CA 0.009 62.996 63.100 -0.188 0.000 0.768 402 P CB 0.683 32.243 31.700 -0.234 0.000 0.842 403 C N 2.565 122.059 119.300 0.323 0.000 2.793 403 C HA 0.016 4.475 4.460 -0.001 0.000 0.285 403 C C 1.171 176.383 174.990 0.370 0.000 1.325 403 C CA 0.573 59.810 59.018 0.366 0.000 1.694 403 C CB -1.628 26.368 27.740 0.427 0.000 2.151 403 C HN 0.744 nan 8.230 nan 0.000 0.532 404 H N 1.379 120.731 119.070 0.469 0.000 3.086 404 H HA 0.406 4.962 4.556 -0.001 0.000 0.265 404 H C 0.360 175.993 175.328 0.509 0.000 1.092 404 H CA 0.035 56.304 56.048 0.369 0.000 1.487 404 H CB 0.050 30.017 29.762 0.341 0.000 1.514 404 H HN 0.466 nan 8.280 nan 0.000 0.497 405 L N 1.288 122.731 121.223 0.367 0.000 2.749 405 L HA 0.452 4.791 4.340 -0.001 0.000 0.242 405 L C -0.376 176.648 176.870 0.256 0.000 1.103 405 L CA -0.168 54.891 54.840 0.365 0.000 0.906 405 L CB 0.463 42.742 42.059 0.366 0.000 1.228 405 L HN 0.506 nan 8.230 nan 0.000 0.517 406 L N 0.688 121.971 121.223 0.100 0.000 2.466 406 L HA 0.951 5.290 4.340 -0.001 0.000 0.258 406 L C -1.549 175.112 176.870 -0.349 0.000 0.973 406 L CA -0.338 54.424 54.840 -0.130 0.000 0.826 406 L CB 2.162 44.161 42.059 -0.101 0.000 1.372 406 L HN 0.092 nan 8.230 nan 0.000 0.409 407 A N 3.638 126.039 122.820 -0.699 0.000 2.488 407 A HA 0.718 5.038 4.320 -0.001 0.000 0.298 407 A C -1.661 175.526 177.584 -0.663 0.000 1.044 407 A CA -0.473 51.109 52.037 -0.758 0.000 0.693 407 A CB 1.799 20.224 19.000 -0.959 0.000 1.272 407 A HN 0.686 nan 8.150 nan 0.000 0.402 408 Q N 1.376 120.868 119.800 -0.513 0.000 2.365 408 Q HA 0.733 5.073 4.340 -0.001 0.000 0.269 408 Q C -1.824 173.937 176.000 -0.398 0.000 1.061 408 Q CA -0.498 55.113 55.803 -0.320 0.000 0.816 408 Q CB 1.323 29.970 28.738 -0.151 0.000 1.325 408 Q HN 0.609 nan 8.270 nan 0.000 0.446 409 F N 1.992 121.979 119.950 0.061 0.000 2.483 409 F HA 0.568 5.094 4.527 -0.001 0.000 0.329 409 F C -0.711 175.191 175.800 0.170 0.000 1.064 409 F CA -0.519 57.545 58.000 0.107 0.000 0.986 409 F CB 1.359 40.413 39.000 0.091 0.000 1.218 409 F HN 0.519 nan 8.300 nan 0.000 0.484 410 Y N 0.414 120.851 120.300 0.228 0.000 2.519 410 Y HA 0.671 5.221 4.550 -0.001 0.000 0.336 410 Y C -1.888 174.078 175.900 0.110 0.000 1.089 410 Y CA -1.070 57.101 58.100 0.119 0.000 1.025 410 Y CB 1.702 40.201 38.460 0.065 0.000 1.318 410 Y HN 0.328 nan 8.280 nan 0.000 0.452 411 V N 4.745 124.457 119.914 -0.336 0.000 2.531 411 V HA 0.712 4.831 4.120 -0.001 0.000 0.301 411 V C -1.113 174.801 176.094 -0.299 0.000 1.034 411 V CA -0.458 61.731 62.300 -0.185 0.000 0.865 411 V CB 1.576 33.322 31.823 -0.128 0.000 0.995 411 V HN 0.780 nan 8.190 nan 0.000 0.424 412 S N 2.982 118.653 115.700 -0.049 0.000 2.546 412 S HA 0.563 5.032 4.470 -0.001 0.000 0.272 412 S C -0.190 174.430 174.600 0.033 0.000 1.140 412 S CA -0.783 57.417 58.200 0.000 0.000 0.920 412 S CB 1.641 64.926 63.200 0.142 0.000 1.083 412 S HN 0.735 nan 8.310 nan 0.000 0.476 413 N N 1.167 119.877 118.700 0.015 0.000 2.735 413 N HA -0.186 4.554 4.740 -0.001 0.000 0.248 413 N C 0.966 176.487 175.510 0.018 0.000 1.083 413 N CA 1.417 54.479 53.050 0.020 0.000 0.703 413 N CB -1.587 36.920 38.487 0.034 0.000 1.005 413 N HN 2.018 nan 8.380 nan 0.000 0.550 414 G N -0.695 108.108 108.800 0.005 0.000 2.168 414 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.257 414 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.257 414 G C -0.200 174.710 174.900 0.017 0.000 0.997 414 G CA 0.906 46.008 45.100 0.004 0.000 0.708 414 G HN 0.620 nan 8.290 nan 0.000 0.520 415 E N -0.885 119.335 120.200 0.034 0.000 2.183 415 E HA 0.583 4.932 4.350 -0.001 0.000 0.271 415 E C -0.533 176.117 176.600 0.083 0.000 0.919 415 E CA -1.069 55.366 56.400 0.058 0.000 0.781 415 E CB 2.081 31.824 29.700 0.072 0.000 1.140 415 E HN 0.155 nan 8.360 nan 0.000 0.402 416 L N 2.311 123.591 121.223 0.096 0.000 2.257 416 L HA 0.332 4.672 4.340 -0.001 0.000 0.290 416 L C -0.772 176.225 176.870 0.211 0.000 1.044 416 L CA 0.208 55.136 54.840 0.146 0.000 0.810 416 L CB 1.129 43.252 42.059 0.107 0.000 1.193 416 L HN 0.340 nan 8.230 nan 0.000 0.425 417 S N 3.646 119.508 115.700 0.271 0.000 2.638 417 S HA 0.669 5.139 4.470 -0.001 0.000 0.298 417 S C -1.107 173.643 174.600 0.250 0.000 1.111 417 S CA -0.586 57.757 58.200 0.238 0.000 1.027 417 S CB 1.496 64.820 63.200 0.206 0.000 1.064 417 S HN 0.829 nan 8.310 nan 0.000 0.525 418 C N 3.496 122.854 119.300 0.097 0.000 2.535 418 C HA 0.760 5.220 4.460 -0.001 0.000 0.319 418 C C -0.684 174.215 174.990 -0.151 0.000 1.171 418 C CA -0.746 58.190 59.018 -0.137 0.000 1.394 418 C CB 0.442 28.097 27.740 -0.141 0.000 1.990 418 C HN 0.988 nan 8.230 nan 0.000 0.466 419 M N 6.312 125.766 119.600 -0.243 0.000 2.149 419 M HA 0.652 5.131 4.480 -0.001 0.000 0.342 419 M C -1.125 175.010 176.300 -0.275 0.000 1.068 419 M CA -0.485 54.698 55.300 -0.195 0.000 0.991 419 M CB 1.217 33.731 32.600 -0.143 0.000 1.596 419 M HN 0.773 nan 8.290 nan 0.000 0.439 420 L N 6.136 127.188 121.223 -0.286 0.000 2.289 420 L HA 0.490 4.830 4.340 -0.001 0.000 0.285 420 L C -1.982 174.775 176.870 -0.189 0.000 1.049 420 L CA -0.121 54.463 54.840 -0.426 0.000 0.804 420 L CB 0.993 42.570 42.059 -0.802 0.000 1.195 420 L HN 0.735 nan 8.230 nan 0.000 0.428 421 Y N 4.226 124.384 120.300 -0.236 0.000 2.331 421 Y HA 0.518 5.067 4.550 -0.001 0.000 0.338 421 Y C -0.527 175.346 175.900 -0.045 0.000 0.992 421 Y CA -0.169 57.861 58.100 -0.115 0.000 1.121 421 Y CB 1.095 39.480 38.460 -0.125 0.000 1.184 421 Y HN 0.771 nan 8.280 nan 0.000 0.469 422 Q N 6.291 125.841 119.800 -0.418 0.000 2.310 422 Q HA 0.308 4.648 4.340 -0.001 0.000 0.270 422 Q C 0.383 176.229 176.000 -0.258 0.000 1.025 422 Q CA -0.796 54.938 55.803 -0.116 0.000 0.772 422 Q CB 1.248 30.040 28.738 0.090 0.000 1.253 422 Q HN 0.961 nan 8.270 nan 0.000 0.450 423 R N 1.224 121.737 120.500 0.021 0.000 2.115 423 R HA 0.116 4.456 4.340 -0.001 0.000 0.226 423 R C 0.392 176.754 176.300 0.103 0.000 1.100 423 R CA 0.678 56.830 56.100 0.085 0.000 0.980 423 R CB 0.221 30.586 30.300 0.108 0.000 0.875 423 R HN 0.278 nan 8.270 nan 0.000 0.445 424 S N -0.202 115.579 115.700 0.134 0.000 2.677 424 S HA 0.462 4.931 4.470 -0.001 0.000 0.283 424 S C -1.521 173.165 174.600 0.143 0.000 1.159 424 S CA -0.862 57.460 58.200 0.204 0.000 1.001 424 S CB 1.601 64.955 63.200 0.257 0.000 1.032 424 S HN 0.346 nan 8.310 nan 0.000 0.487 425 C N 3.951 123.223 119.300 -0.047 0.000 2.407 425 C HA 0.468 4.928 4.460 -0.001 0.000 0.328 425 C C -0.391 174.209 174.990 -0.650 0.000 1.137 425 C CA -1.097 57.800 59.018 -0.202 0.000 1.390 425 C CB 0.107 27.752 27.740 -0.159 0.000 1.989 425 C HN 0.928 nan 8.230 nan 0.000 0.432 426 D N 3.336 123.536 120.400 -0.333 0.000 2.338 426 D HA 0.205 4.844 4.640 -0.001 0.000 0.255 426 D C 1.217 177.495 176.300 -0.035 0.000 1.237 426 D CA -0.218 53.649 54.000 -0.222 0.000 0.883 426 D CB 0.711 41.610 40.800 0.165 0.000 1.087 426 D HN 0.350 nan 8.370 nan 0.000 0.485 427 M N 3.001 122.564 119.600 -0.061 0.000 2.229 427 M HA 0.031 4.510 4.480 -0.001 0.000 0.264 427 M C 1.992 178.435 176.300 0.238 0.000 1.063 427 M CA 0.978 56.317 55.300 0.065 0.000 1.114 427 M CB -1.113 31.444 32.600 -0.072 0.000 1.387 427 M HN 0.559 nan 8.290 nan 0.000 0.420 428 G N -0.524 108.411 108.800 0.226 0.000 2.403 428 G HA2 -0.024 3.935 3.960 -0.001 0.000 0.216 428 G HA3 -0.024 3.935 3.960 -0.001 0.000 0.216 428 G C 1.511 176.538 174.900 0.211 0.000 1.154 428 G CA 0.722 45.966 45.100 0.240 0.000 0.784 428 G HN 0.408 nan 8.290 nan 0.000 0.538 429 L N -0.937 120.411 121.223 0.209 0.000 2.664 429 L HA 0.473 4.812 4.340 -0.001 0.000 0.198 429 L C 2.602 179.574 176.870 0.170 0.000 1.057 429 L CA 1.513 56.453 54.840 0.167 0.000 0.871 429 L CB -0.612 41.519 42.059 0.119 0.000 1.364 429 L HN 0.102 nan 8.230 nan 0.000 0.483 430 G N -0.030 108.862 108.800 0.152 0.000 2.459 430 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.217 430 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.217 430 G C 1.421 176.457 174.900 0.227 0.000 1.183 430 G CA 1.379 46.569 45.100 0.151 0.000 0.776 430 G HN 0.239 nan 8.290 nan 0.000 0.552 431 V N 2.239 122.282 119.914 0.215 0.000 2.255 431 V HA -0.131 3.989 4.120 -0.001 0.000 0.247 431 V C 0.375 176.603 176.094 0.223 0.000 1.051 431 V CA 2.440 64.898 62.300 0.262 0.000 1.018 431 V CB -1.145 30.822 31.823 0.239 0.000 0.641 431 V HN 0.316 nan 8.190 nan 0.000 0.445 432 P HA -0.158 nan 4.420 nan 0.000 0.217 432 P C 1.689 179.019 177.300 0.050 0.000 1.150 432 P CA 1.379 64.477 63.100 -0.003 0.000 0.832 432 P CB -0.119 31.560 31.700 -0.034 0.000 0.787 433 F N 0.595 120.552 119.950 0.012 0.000 2.102 433 F HA -0.174 4.352 4.527 -0.001 0.000 0.298 433 F C 1.944 177.740 175.800 -0.006 0.000 1.105 433 F CA 1.575 59.581 58.000 0.011 0.000 1.239 433 F CB -0.465 38.559 39.000 0.040 0.000 0.991 433 F HN -0.134 nan 8.300 nan 0.000 0.474 434 N N 0.498 119.351 118.700 0.255 0.000 2.270 434 N HA -0.093 4.646 4.740 -0.001 0.000 0.181 434 N C 2.028 177.549 175.510 0.017 0.000 1.016 434 N CA 1.374 54.509 53.050 0.142 0.000 0.870 434 N CB -0.276 38.288 38.487 0.129 0.000 0.979 434 N HN 0.343 nan 8.380 nan 0.000 0.431 435 I N 1.429 121.960 120.570 -0.065 0.000 2.163 435 I HA -0.271 3.898 4.170 -0.001 0.000 0.243 435 I C 2.394 178.385 176.117 -0.209 0.000 1.085 435 I CA 1.191 62.360 61.300 -0.218 0.000 1.347 435 I CB -0.277 37.467 38.000 -0.427 0.000 1.044 435 I HN 0.055 nan 8.210 nan 0.000 0.408 436 A N -0.004 122.696 122.820 -0.200 0.000 1.898 436 A HA -0.189 4.130 4.320 -0.001 0.000 0.216 436 A C 2.484 180.021 177.584 -0.079 0.000 1.181 436 A CA 2.103 54.046 52.037 -0.157 0.000 0.620 436 A CB -0.786 18.115 19.000 -0.165 0.000 0.819 436 A HN 0.388 nan 8.150 nan 0.000 0.442 437 S N -1.061 114.568 115.700 -0.119 0.000 2.359 437 S HA -0.214 4.255 4.470 -0.001 0.000 0.223 437 S C 1.825 176.382 174.600 -0.072 0.000 1.039 437 S CA 1.952 60.090 58.200 -0.102 0.000 1.042 437 S CB -0.622 62.558 63.200 -0.033 0.000 0.915 437 S HN 0.671 nan 8.310 nan 0.000 0.439 438 Y N 1.429 121.713 120.300 -0.027 0.000 2.395 438 Y HA 0.149 4.698 4.550 -0.001 0.000 0.293 438 Y C 2.486 178.401 175.900 0.025 0.000 1.123 438 Y CA 0.212 58.323 58.100 0.018 0.000 1.227 438 Y CB -0.715 37.710 38.460 -0.059 0.000 1.012 438 Y HN 0.256 nan 8.280 nan 0.000 0.552 439 A N 0.083 122.952 122.820 0.082 0.000 1.865 439 A HA -0.213 4.106 4.320 -0.001 0.000 0.217 439 A C 2.171 179.801 177.584 0.075 0.000 1.191 439 A CA 1.807 53.864 52.037 0.035 0.000 0.623 439 A CB -1.112 17.839 19.000 -0.082 0.000 0.826 439 A HN 0.399 nan 8.150 nan 0.000 0.444 440 L N -0.669 120.608 121.223 0.090 0.000 2.012 440 L HA -0.155 4.184 4.340 -0.001 0.000 0.210 440 L C 2.294 179.229 176.870 0.107 0.000 1.073 440 L CA 2.285 57.205 54.840 0.133 0.000 0.748 440 L CB -0.771 41.364 42.059 0.126 0.000 0.891 440 L HN 0.379 nan 8.230 nan 0.000 0.431 441 L N -0.817 120.452 121.223 0.076 0.000 1.990 441 L HA -0.229 4.110 4.340 -0.001 0.000 0.213 441 L C 2.358 179.330 176.870 0.169 0.000 1.072 441 L CA 2.656 57.558 54.840 0.104 0.000 0.755 441 L CB -1.245 40.844 42.059 0.051 0.000 0.889 441 L HN 0.399 nan 8.230 nan 0.000 0.432 442 T N -0.113 114.578 114.554 0.228 0.000 2.746 442 T HA -0.174 4.176 4.350 -0.001 0.000 0.267 442 T C 1.986 176.772 174.700 0.144 0.000 1.039 442 T CA 2.010 64.274 62.100 0.274 0.000 1.142 442 T CB -0.411 68.621 68.868 0.272 0.000 0.866 442 T HN 0.339 nan 8.240 nan 0.000 0.444 443 I N 0.544 121.184 120.570 0.116 0.000 2.179 443 I HA -0.143 4.027 4.170 -0.001 0.000 0.242 443 I C 2.271 178.394 176.117 0.011 0.000 1.088 443 I CA 1.218 62.572 61.300 0.090 0.000 1.357 443 I CB -0.344 37.749 38.000 0.155 0.000 1.051 443 I HN 0.186 nan 8.210 nan 0.000 0.409 444 L N -0.005 121.222 121.223 0.006 0.000 2.056 444 L HA -0.214 4.126 4.340 -0.001 0.000 0.207 444 L C 2.449 179.247 176.870 -0.120 0.000 1.078 444 L CA 1.017 55.788 54.840 -0.115 0.000 0.749 444 L CB -0.422 41.589 42.059 -0.081 0.000 0.901 444 L HN 0.221 nan 8.230 nan 0.000 0.433 445 I N 0.045 120.569 120.570 -0.077 0.000 2.315 445 I HA -0.217 3.952 4.170 -0.001 0.000 0.248 445 I C 2.833 178.863 176.117 -0.145 0.000 1.117 445 I CA 1.414 62.623 61.300 -0.152 0.000 1.404 445 I CB -1.542 36.282 38.000 -0.294 0.000 1.071 445 I HN 0.176 nan 8.210 nan 0.000 0.419 446 A N 1.221 123.991 122.820 -0.084 0.000 1.883 446 A HA -0.247 4.073 4.320 -0.001 0.000 0.217 446 A C 2.384 179.915 177.584 -0.089 0.000 1.186 446 A CA 1.844 53.843 52.037 -0.063 0.000 0.624 446 A CB -0.571 18.423 19.000 -0.010 0.000 0.822 446 A HN 0.352 nan 8.150 nan 0.000 0.444 447 K N -0.456 119.868 120.400 -0.126 0.000 2.097 447 K HA -0.030 4.290 4.320 -0.001 0.000 0.206 447 K C 2.137 178.662 176.600 -0.125 0.000 1.049 447 K CA 1.093 57.282 56.287 -0.163 0.000 0.933 447 K CB -0.299 32.017 32.500 -0.308 0.000 0.717 447 K HN 0.450 nan 8.250 nan 0.000 0.442 448 A N 0.857 123.607 122.820 -0.117 0.000 2.121 448 A HA -0.094 4.225 4.320 -0.001 0.000 0.218 448 A C 1.846 179.382 177.584 -0.079 0.000 1.154 448 A CA 1.748 53.736 52.037 -0.082 0.000 0.679 448 A CB -0.432 18.523 19.000 -0.076 0.000 0.795 448 A HN 0.437 nan 8.150 nan 0.000 0.458 449 T N -5.647 108.853 114.554 -0.090 0.000 3.040 449 T HA 0.440 4.790 4.350 -0.001 0.000 0.266 449 T C 1.150 175.811 174.700 -0.064 0.000 1.005 449 T CA 0.909 62.960 62.100 -0.082 0.000 0.906 449 T CB 0.234 69.039 68.868 -0.105 0.000 1.082 449 T HN 1.592 nan 8.240 nan 0.000 0.531 450 G N 1.555 110.319 108.800 -0.061 0.000 2.176 450 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.252 450 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.252 450 G C -0.183 174.694 174.900 -0.038 0.000 1.024 450 G CA 0.386 45.458 45.100 -0.048 0.000 0.755 450 G HN 0.642 nan 8.290 nan 0.000 0.507 451 L N -1.071 120.128 121.223 -0.040 0.000 2.313 451 L HA 0.701 5.040 4.340 -0.001 0.000 0.268 451 L C 1.040 177.903 176.870 -0.011 0.000 1.010 451 L CA -1.334 53.492 54.840 -0.023 0.000 0.814 451 L CB 1.280 43.326 42.059 -0.022 0.000 1.304 451 L HN 0.053 nan 8.230 nan 0.000 0.441 452 R N 1.458 121.963 120.500 0.009 0.000 2.457 452 R HA 0.357 4.697 4.340 -0.001 0.000 0.284 452 R C -2.408 173.918 176.300 0.043 0.000 1.024 452 R CA -1.706 54.409 56.100 0.024 0.000 1.025 452 R CB 0.785 31.104 30.300 0.031 0.000 1.063 452 R HN 0.298 nan 8.270 nan 0.000 0.493 453 P HA 0.019 nan 4.420 nan 0.000 0.271 453 P C -0.395 176.955 177.300 0.083 0.000 1.216 453 P CA 0.129 63.274 63.100 0.076 0.000 0.771 453 P CB 1.306 33.054 31.700 0.080 0.000 0.864 454 G N 2.579 111.440 108.800 0.101 0.000 2.930 454 G HA2 0.209 4.169 3.960 -0.001 0.000 0.209 454 G HA3 0.209 4.169 3.960 -0.001 0.000 0.209 454 G C -0.695 174.263 174.900 0.098 0.000 2.018 454 G CA 0.076 45.236 45.100 0.099 0.000 0.751 454 G HN 0.537 nan 8.290 nan 0.000 0.770 455 E N -0.817 119.447 120.200 0.106 0.000 2.238 455 E HA 0.540 4.889 4.350 -0.001 0.000 0.267 455 E C -1.635 175.026 176.600 0.100 0.000 0.887 455 E CA -0.749 55.706 56.400 0.092 0.000 0.769 455 E CB 2.129 31.863 29.700 0.058 0.000 1.187 455 E HN 0.201 nan 8.360 nan 0.000 0.416 456 L N 5.113 126.411 121.223 0.126 0.000 2.264 456 L HA 0.416 4.755 4.340 -0.001 0.000 0.289 456 L C -1.477 175.476 176.870 0.138 0.000 1.044 456 L CA -0.469 54.452 54.840 0.134 0.000 0.807 456 L CB 1.305 43.465 42.059 0.167 0.000 1.192 456 L HN 0.356 nan 8.230 nan 0.000 0.425 457 V N 5.221 125.169 119.914 0.056 0.000 2.435 457 V HA 0.344 4.463 4.120 -0.001 0.000 0.290 457 V C -0.481 175.654 176.094 0.069 0.000 1.030 457 V CA -0.592 61.731 62.300 0.039 0.000 0.881 457 V CB 1.235 33.036 31.823 -0.037 0.000 0.983 457 V HN 0.795 nan 8.190 nan 0.000 0.445 458 H N 2.567 121.640 119.070 0.006 0.000 2.638 458 H HA 0.473 5.028 4.556 -0.001 0.000 0.317 458 H C -0.569 174.708 175.328 -0.086 0.000 1.006 458 H CA -0.462 55.572 56.048 -0.023 0.000 1.222 458 H CB 1.056 30.883 29.762 0.108 0.000 1.419 458 H HN 0.694 nan 8.280 nan 0.000 0.489 459 T N 6.516 121.129 114.554 0.099 0.000 2.767 459 T HA 0.289 4.638 4.350 -0.001 0.000 0.284 459 T C -0.571 173.961 174.700 -0.281 0.000 0.973 459 T CA -0.618 61.412 62.100 -0.117 0.000 0.996 459 T CB 0.581 69.387 68.868 -0.103 0.000 0.927 459 T HN 0.303 nan 8.240 nan 0.000 0.456 460 L N 2.606 123.618 121.223 -0.352 0.000 2.322 460 L HA 0.637 4.976 4.340 -0.001 0.000 0.281 460 L C 1.193 177.825 176.870 -0.396 0.000 1.014 460 L CA -0.349 54.267 54.840 -0.373 0.000 0.815 460 L CB 1.405 43.268 42.059 -0.328 0.000 1.247 460 L HN 0.772 nan 8.230 nan 0.000 0.421 461 G N 0.503 109.095 108.800 -0.346 0.000 2.620 461 G HA2 -0.067 3.893 3.960 -0.001 0.000 0.200 461 G HA3 -0.067 3.893 3.960 -0.001 0.000 0.200 461 G C -0.158 174.813 174.900 0.117 0.000 1.710 461 G CA -0.011 45.005 45.100 -0.141 0.000 0.919 461 G HN 0.592 nan 8.290 nan 0.000 0.455 462 D N 1.804 122.366 120.400 0.271 0.000 2.383 462 D HA 0.442 5.082 4.640 -0.001 0.000 0.245 462 D C -0.134 176.271 176.300 0.176 0.000 1.263 462 D CA -0.164 54.008 54.000 0.286 0.000 0.936 462 D CB 0.457 41.408 40.800 0.250 0.000 1.053 462 D HN 0.285 nan 8.370 nan 0.000 0.507 463 A N 5.630 128.487 122.820 0.062 0.000 2.260 463 A HA 0.524 4.844 4.320 -0.001 0.000 0.314 463 A C -0.370 177.169 177.584 -0.075 0.000 1.257 463 A CA -0.642 51.327 52.037 -0.114 0.000 0.871 463 A CB 0.559 19.477 19.000 -0.138 0.000 1.166 463 A HN 0.738 nan 8.150 nan 0.000 0.522 464 H N -0.131 118.890 119.070 -0.081 0.000 2.980 464 H HA 0.760 5.316 4.556 -0.001 0.000 0.367 464 H C -1.854 173.389 175.328 -0.143 0.000 1.206 464 H CA -1.042 54.931 56.048 -0.126 0.000 1.126 464 H CB 1.279 30.935 29.762 -0.177 0.000 1.838 464 H HN 0.315 nan 8.280 nan 0.000 0.552 465 V N 2.020 121.933 119.914 -0.001 0.000 2.680 465 V HA 0.172 4.291 4.120 -0.001 0.000 0.309 465 V C -0.806 175.265 176.094 -0.038 0.000 1.052 465 V CA -0.847 61.461 62.300 0.013 0.000 0.908 465 V CB 1.582 33.430 31.823 0.041 0.000 1.001 465 V HN 0.627 nan 8.190 nan 0.000 0.431 466 Y N 1.673 122.017 120.300 0.074 0.000 2.526 466 Y HA 0.038 4.587 4.550 -0.001 0.000 0.330 466 Y C 1.822 177.682 175.900 -0.066 0.000 1.156 466 Y CA 0.801 58.858 58.100 -0.073 0.000 1.419 466 Y CB 1.029 39.285 38.460 -0.340 0.000 1.250 466 Y HN 0.703 nan 8.280 nan 0.000 0.540 467 S N 1.859 117.598 115.700 0.065 0.000 2.442 467 S HA -0.215 4.254 4.470 -0.001 0.000 0.236 467 S C 1.623 176.250 174.600 0.045 0.000 1.007 467 S CA 1.764 59.986 58.200 0.035 0.000 0.965 467 S CB -0.404 62.798 63.200 0.005 0.000 0.773 467 S HN 0.896 nan 8.310 nan 0.000 0.504 468 N N -0.485 118.228 118.700 0.022 0.000 2.422 468 N HA 0.006 4.746 4.740 -0.001 0.000 0.181 468 N C 1.024 176.603 175.510 0.115 0.000 1.080 468 N CA 0.787 53.847 53.050 0.018 0.000 0.893 468 N CB -0.631 37.832 38.487 -0.040 0.000 0.973 468 N HN 0.560 nan 8.380 nan 0.000 0.456 469 H N -0.998 118.137 119.070 0.107 0.000 2.539 469 H HA 0.248 4.803 4.556 -0.001 0.000 0.269 469 H C 1.141 176.511 175.328 0.070 0.000 0.980 469 H CA -0.362 55.741 56.048 0.093 0.000 1.152 469 H CB 0.723 30.572 29.762 0.146 0.000 1.407 469 H HN 0.026 nan 8.280 nan 0.000 0.564 470 V N 0.974 120.985 119.914 0.161 0.000 2.233 470 V HA -0.292 3.827 4.120 -0.001 0.000 0.247 470 V C 2.312 178.448 176.094 0.070 0.000 1.050 470 V CA 2.086 64.442 62.300 0.093 0.000 1.010 470 V CB -0.304 31.554 31.823 0.057 0.000 0.637 470 V HN 0.498 nan 8.190 nan 0.000 0.444 471 E N -0.296 119.943 120.200 0.064 0.000 2.058 471 E HA -0.215 4.135 4.350 -0.001 0.000 0.194 471 E C -0.043 176.581 176.600 0.039 0.000 0.997 471 E CA 1.881 58.308 56.400 0.044 0.000 0.801 471 E CB -0.838 28.886 29.700 0.040 0.000 0.746 471 E HN 0.510 nan 8.360 nan 0.000 0.450 472 P HA -0.152 nan 4.420 nan 0.000 0.215 472 P C 1.249 178.561 177.300 0.020 0.000 1.157 472 P CA 1.103 64.219 63.100 0.026 0.000 0.868 472 P CB -0.008 31.700 31.700 0.013 0.000 0.788 473 C N -1.213 118.114 119.300 0.044 0.000 2.429 473 C HA -0.080 4.380 4.460 -0.001 0.000 0.277 473 C C 2.558 177.558 174.990 0.016 0.000 1.262 473 C CA 0.901 59.941 59.018 0.038 0.000 1.733 473 C CB -1.954 25.820 27.740 0.056 0.000 2.010 473 C HN 0.285 nan 8.230 nan 0.000 0.483 474 N N 0.659 119.369 118.700 0.015 0.000 2.149 474 N HA -0.149 4.591 4.740 -0.001 0.000 0.188 474 N C 1.669 177.175 175.510 -0.007 0.000 1.019 474 N CA 1.348 54.400 53.050 0.003 0.000 0.857 474 N CB -0.457 38.034 38.487 0.007 0.000 0.997 474 N HN 0.586 nan 8.380 nan 0.000 0.426 475 E N 0.911 121.108 120.200 -0.006 0.000 2.106 475 E HA -0.109 4.240 4.350 -0.001 0.000 0.192 475 E C 1.872 178.447 176.600 -0.043 0.000 0.984 475 E CA 0.897 57.286 56.400 -0.019 0.000 0.806 475 E CB -0.089 29.604 29.700 -0.012 0.000 0.750 475 E HN 0.369 nan 8.360 nan 0.000 0.458 476 Q N -0.241 119.538 119.800 -0.035 0.000 2.167 476 Q HA -0.086 4.254 4.340 -0.001 0.000 0.202 476 Q C 1.963 177.930 176.000 -0.054 0.000 0.970 476 Q CA 0.957 56.728 55.803 -0.053 0.000 0.855 476 Q CB -0.020 28.718 28.738 0.001 0.000 0.911 476 Q HN 0.354 nan 8.270 nan 0.000 0.438 477 L N 0.342 121.549 121.223 -0.026 0.000 2.362 477 L HA -0.145 4.194 4.340 -0.001 0.000 0.219 477 L C 2.041 178.891 176.870 -0.034 0.000 1.134 477 L CA 0.923 55.751 54.840 -0.020 0.000 0.807 477 L CB -0.146 41.903 42.059 -0.018 0.000 0.927 477 L HN 0.107 nan 8.230 nan 0.000 0.447 478 K N -0.119 120.251 120.400 -0.050 0.000 2.365 478 K HA 0.033 4.352 4.320 -0.001 0.000 0.197 478 K C 0.538 177.093 176.600 -0.075 0.000 1.042 478 K CA 0.121 56.379 56.287 -0.048 0.000 0.987 478 K CB 0.181 32.659 32.500 -0.037 0.000 0.779 478 K HN 0.244 nan 8.250 nan 0.000 0.484 479 R N 1.334 121.740 120.500 -0.156 0.000 2.438 479 R HA 0.127 4.467 4.340 -0.001 0.000 0.287 479 R C -0.485 175.745 176.300 -0.118 0.000 1.077 479 R CA -0.296 55.634 56.100 -0.284 0.000 1.034 479 R CB 1.056 30.905 30.300 -0.752 0.000 0.993 479 R HN -0.141 nan 8.270 nan 0.000 0.459 480 V N 6.366 126.291 119.914 0.018 0.000 2.455 480 V HA 0.131 4.251 4.120 -0.001 0.000 0.273 480 V C -1.899 174.301 176.094 0.177 0.000 1.045 480 V CA -1.753 60.602 62.300 0.092 0.000 0.976 480 V CB 0.964 32.851 31.823 0.107 0.000 0.993 480 V HN 0.657 nan 8.190 nan 0.000 0.475 481 P HA 0.223 nan 4.420 nan 0.000 0.268 481 P C -0.171 177.167 177.300 0.064 0.000 1.204 481 P CA 0.023 63.188 63.100 0.108 0.000 0.768 481 P CB 0.576 32.284 31.700 0.013 0.000 0.842 482 R N 1.642 122.185 120.500 0.072 0.000 2.549 482 R HA 0.694 5.034 4.340 -0.001 0.000 0.259 482 R C 0.184 176.420 176.300 -0.108 0.000 1.095 482 R CA -0.990 55.102 56.100 -0.014 0.000 1.148 482 R CB 0.555 30.841 30.300 -0.024 0.000 1.181 482 R HN 0.450 nan 8.270 nan 0.000 0.571 483 A N 1.079 123.843 122.820 -0.093 0.000 2.445 483 A HA 0.234 4.553 4.320 -0.001 0.000 0.242 483 A C -0.578 176.991 177.584 -0.025 0.000 1.075 483 A CA -0.108 51.852 52.037 -0.128 0.000 0.777 483 A CB -0.033 18.946 19.000 -0.035 0.000 1.013 483 A HN 0.391 nan 8.150 nan 0.000 0.493 484 F N 2.545 122.478 119.950 -0.028 0.000 2.459 484 F HA 0.315 4.842 4.527 -0.001 0.000 0.346 484 F C -1.129 174.575 175.800 -0.160 0.000 1.128 484 F CA -1.922 56.021 58.000 -0.094 0.000 1.268 484 F CB 0.008 38.906 39.000 -0.169 0.000 1.161 484 F HN 0.414 nan 8.300 nan 0.000 0.583 485 P HA 0.159 nan 4.420 nan 0.000 0.286 485 P C -1.415 175.724 177.300 -0.268 0.000 1.293 485 P CA -0.020 63.066 63.100 -0.023 0.000 0.770 485 P CB 0.767 32.420 31.700 -0.077 0.000 1.206 486 Y N -1.947 118.297 120.300 -0.093 0.000 2.570 486 Y HA 0.500 5.049 4.550 -0.001 0.000 0.345 486 Y C 0.085 175.864 175.900 -0.201 0.000 1.014 486 Y CA -0.993 57.043 58.100 -0.107 0.000 1.063 486 Y CB 1.674 40.116 38.460 -0.029 0.000 1.272 486 Y HN 0.088 nan 8.280 nan 0.000 0.477 487 L N 2.455 123.654 121.223 -0.040 0.000 2.307 487 L HA 0.783 5.122 4.340 -0.001 0.000 0.284 487 L C -1.345 175.493 176.870 -0.054 0.000 1.023 487 L CA -0.580 54.157 54.840 -0.171 0.000 0.810 487 L CB 1.206 43.112 42.059 -0.254 0.000 1.231 487 L HN 0.422 nan 8.230 nan 0.000 0.423 488 V N 5.311 125.153 119.914 -0.122 0.000 2.540 488 V HA 0.432 4.551 4.120 -0.001 0.000 0.302 488 V C -0.642 175.381 176.094 -0.119 0.000 1.035 488 V CA -0.508 61.782 62.300 -0.016 0.000 0.873 488 V CB 1.619 33.451 31.823 0.016 0.000 0.992 488 V HN 0.484 nan 8.190 nan 0.000 0.428 489 F N 4.519 124.505 119.950 0.060 0.000 2.411 489 F HA 0.478 5.004 4.527 -0.001 0.000 0.355 489 F C 1.554 177.405 175.800 0.084 0.000 1.117 489 F CA -0.446 57.608 58.000 0.091 0.000 1.139 489 F CB 1.249 40.314 39.000 0.108 0.000 1.120 489 F HN 0.415 nan 8.300 nan 0.000 0.493 490 R N 2.310 122.927 120.500 0.195 0.000 2.161 490 R HA 0.101 4.440 4.340 -0.001 0.000 0.213 490 R C 0.320 176.710 176.300 0.149 0.000 1.055 490 R CA 0.388 56.570 56.100 0.137 0.000 0.996 490 R CB 0.020 30.372 30.300 0.086 0.000 0.901 490 R HN 0.648 nan 8.270 nan 0.000 0.456 491 R N 0.203 120.826 120.500 0.206 0.000 2.739 491 R HA 0.378 4.717 4.340 -0.001 0.000 0.271 491 R C -1.004 175.432 176.300 0.228 0.000 1.010 491 R CA -0.818 55.380 56.100 0.162 0.000 0.897 491 R CB 1.609 31.963 30.300 0.091 0.000 1.236 491 R HN -0.291 nan 8.270 nan 0.000 0.466 492 E N 1.251 121.519 120.200 0.113 0.000 2.243 492 E HA 0.513 4.862 4.350 -0.001 0.000 0.260 492 E C -0.472 176.024 176.600 -0.174 0.000 0.985 492 E CA -1.033 55.412 56.400 0.075 0.000 0.858 492 E CB 1.308 31.042 29.700 0.058 0.000 1.210 492 E HN 0.399 nan 8.360 nan 0.000 0.411 493 R N 0.564 120.826 120.500 -0.395 0.000 2.854 493 R HA 0.241 4.581 4.340 -0.001 0.000 0.271 493 R C 0.771 176.917 176.300 -0.257 0.000 0.994 493 R CA -0.576 55.253 56.100 -0.452 0.000 0.945 493 R CB 1.248 31.018 30.300 -0.883 0.000 1.194 493 R HN 0.644 nan 8.270 nan 0.000 0.476 494 E N 0.502 120.554 120.200 -0.247 0.000 2.158 494 E HA 0.030 4.379 4.350 -0.001 0.000 0.191 494 E C -0.517 175.686 176.600 -0.660 0.000 0.982 494 E CA 0.995 57.128 56.400 -0.445 0.000 0.823 494 E CB 0.322 29.713 29.700 -0.514 0.000 0.766 494 E HN 0.270 nan 8.360 nan 0.000 0.468 495 F N -0.451 119.478 119.950 -0.036 0.000 2.551 495 F HA 0.183 4.709 4.527 -0.001 0.000 0.316 495 F C 0.584 176.434 175.800 0.084 0.000 1.089 495 F CA -0.921 57.090 58.000 0.019 0.000 0.915 495 F CB 1.332 40.340 39.000 0.014 0.000 1.186 495 F HN -0.173 nan 8.300 nan 0.000 0.456 496 L N 1.763 123.179 121.223 0.322 0.000 2.051 496 L HA -0.196 4.143 4.340 -0.001 0.000 0.214 496 L C 1.780 178.858 176.870 0.346 0.000 1.076 496 L CA 2.148 57.191 54.840 0.337 0.000 0.758 496 L CB -0.524 41.647 42.059 0.187 0.000 0.890 496 L HN 0.662 nan 8.230 nan 0.000 0.433 497 E N -0.559 119.790 120.200 0.249 0.000 2.478 497 E HA -0.118 4.232 4.350 -0.001 0.000 0.198 497 E C 1.190 177.890 176.600 0.167 0.000 1.046 497 E CA 0.823 57.331 56.400 0.180 0.000 0.870 497 E CB -0.158 29.608 29.700 0.110 0.000 0.818 497 E HN 0.529 nan 8.360 nan 0.000 0.527 498 D N -0.830 119.669 120.400 0.166 0.000 2.349 498 D HA -0.016 4.623 4.640 -0.001 0.000 0.214 498 D C -0.439 175.864 176.300 0.004 0.000 1.063 498 D CA 0.061 54.103 54.000 0.070 0.000 0.847 498 D CB 0.025 40.858 40.800 0.055 0.000 0.933 498 D HN 0.199 nan 8.370 nan 0.000 0.513 499 Y N 1.762 122.129 120.300 0.113 0.000 2.511 499 Y HA 0.110 4.659 4.550 -0.001 0.000 0.332 499 Y C 1.103 177.060 175.900 0.096 0.000 1.177 499 Y CA 0.399 58.574 58.100 0.124 0.000 1.422 499 Y CB 0.633 39.191 38.460 0.164 0.000 1.271 499 Y HN -0.221 nan 8.280 nan 0.000 0.550 500 E N 1.522 121.857 120.200 0.225 0.000 2.277 500 E HA 0.084 4.434 4.350 -0.001 0.000 0.266 500 E C 0.583 177.255 176.600 0.120 0.000 0.901 500 E CA -0.795 55.683 56.400 0.130 0.000 0.782 500 E CB 1.593 31.340 29.700 0.079 0.000 1.228 500 E HN 0.620 nan 8.360 nan 0.000 0.424 501 E N 2.117 122.341 120.200 0.039 0.000 2.114 501 E HA -0.197 4.152 4.350 -0.001 0.000 0.199 501 E C 1.609 178.236 176.600 0.045 0.000 1.008 501 E CA 1.754 58.151 56.400 -0.006 0.000 0.810 501 E CB -0.235 29.412 29.700 -0.089 0.000 0.739 501 E HN 0.823 nan 8.360 nan 0.000 0.456 502 G N 0.513 109.344 108.800 0.051 0.000 2.535 502 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.218 502 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.218 502 G C 1.100 176.047 174.900 0.078 0.000 1.122 502 G CA 0.691 45.827 45.100 0.059 0.000 0.769 502 G HN 0.231 nan 8.290 nan 0.000 0.549 503 D N 0.170 120.640 120.400 0.117 0.000 2.312 503 D HA 0.040 4.679 4.640 -0.001 0.000 0.211 503 D C 1.574 177.946 176.300 0.120 0.000 0.964 503 D CA 0.575 54.681 54.000 0.177 0.000 0.877 503 D CB 0.072 41.074 40.800 0.336 0.000 0.924 503 D HN 0.515 nan 8.370 nan 0.000 0.515 504 M N -1.099 118.503 119.600 0.003 0.000 2.644 504 M HA 0.593 5.073 4.480 -0.001 0.000 0.304 504 M C -0.897 175.360 176.300 -0.072 0.000 1.215 504 M CA -0.802 54.378 55.300 -0.200 0.000 0.871 504 M CB 3.275 35.557 32.600 -0.531 0.000 1.740 504 M HN -0.359 nan 8.290 nan 0.000 0.464 505 E N 1.443 121.565 120.200 -0.131 0.000 2.263 505 E HA 0.505 4.854 4.350 -0.001 0.000 0.268 505 E C -1.883 174.611 176.600 -0.176 0.000 0.884 505 E CA -0.769 55.583 56.400 -0.080 0.000 0.766 505 E CB 2.750 32.432 29.700 -0.030 0.000 1.196 505 E HN 0.682 nan 8.360 nan 0.000 0.416 506 V N 6.339 126.103 119.914 -0.251 0.000 2.408 506 V HA 0.228 4.348 4.120 -0.001 0.000 0.267 506 V C 0.410 176.421 176.094 -0.138 0.000 1.047 506 V CA -0.246 61.837 62.300 -0.361 0.000 0.937 506 V CB 0.117 31.538 31.823 -0.669 0.000 0.999 506 V HN 0.518 nan 8.190 nan 0.000 0.472 507 I N 1.298 121.829 120.570 -0.066 0.000 2.392 507 I HA 0.606 4.776 4.170 -0.001 0.000 0.295 507 I C 0.174 176.338 176.117 0.079 0.000 0.985 507 I CA -0.480 60.834 61.300 0.023 0.000 1.221 507 I CB 1.314 39.339 38.000 0.041 0.000 1.366 507 I HN 0.545 nan 8.210 nan 0.000 0.467 508 D N 2.940 123.392 120.400 0.087 0.000 2.800 508 D HA -0.274 4.366 4.640 -0.001 0.000 0.232 508 D C -0.854 175.539 176.300 0.154 0.000 1.137 508 D CA 0.909 54.972 54.000 0.104 0.000 0.718 508 D CB -1.033 39.837 40.800 0.118 0.000 1.084 508 D HN 0.675 nan 8.370 nan 0.000 0.432 509 Y N 0.874 121.163 120.300 -0.019 0.000 2.486 509 Y HA 0.419 4.969 4.550 -0.001 0.000 0.348 509 Y C 0.097 175.992 175.900 -0.009 0.000 1.000 509 Y CA -1.156 56.930 58.100 -0.025 0.000 1.253 509 Y CB 0.622 39.042 38.460 -0.066 0.000 1.140 509 Y HN 0.121 nan 8.280 nan 0.000 0.526 510 A N 9.500 132.237 122.820 -0.139 0.000 3.165 510 A HA 0.441 4.760 4.320 -0.001 0.000 0.331 510 A C -2.733 174.655 177.584 -0.328 0.000 1.034 510 A CA -1.378 50.521 52.037 -0.229 0.000 0.906 510 A CB -0.534 18.398 19.000 -0.113 0.000 1.054 510 A HN 0.537 nan 8.150 nan 0.000 0.484 511 P HA 0.255 nan 4.420 nan 0.000 0.276 511 P C -0.563 176.634 177.300 -0.171 0.000 1.252 511 P CA -0.184 62.723 63.100 -0.321 0.000 0.802 511 P CB 0.561 31.987 31.700 -0.457 0.000 1.035 512 Y N 1.028 121.284 120.300 -0.074 0.000 2.550 512 Y HA 0.080 4.630 4.550 -0.001 0.000 0.343 512 Y C -0.929 174.948 175.900 -0.039 0.000 1.245 512 Y CA -0.791 57.288 58.100 -0.036 0.000 1.462 512 Y CB -0.976 37.482 38.460 -0.003 0.000 1.340 512 Y HN 0.363 nan 8.280 nan 0.000 0.604 513 P HA 0.103 nan 4.420 nan 0.000 0.274 513 P C -2.544 174.806 177.300 0.083 0.000 1.260 513 P CA -1.214 61.929 63.100 0.073 0.000 0.793 513 P CB -0.224 31.509 31.700 0.056 0.000 1.048 514 P HA 0.001 nan 4.420 nan 0.000 0.266 514 P C -0.486 176.832 177.300 0.030 0.000 1.193 514 P CA -0.020 63.099 63.100 0.031 0.000 0.770 514 P CB 0.160 31.867 31.700 0.013 0.000 0.836 515 I N 0.000 120.578 120.570 0.014 0.000 2.984 515 I HA 0.000 4.169 4.170 -0.001 0.000 0.288 515 I CA 0.000 61.303 61.300 0.004 0.000 1.566 515 I CB 0.000 37.994 38.000 -0.010 0.000 1.214 515 I HN 0.000 nan 8.210 nan 0.000 0.494