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 3d4g_1_F DATA FIRST_RESID 3 DATA SEQUENCE TEEGKLVIWI NGDKGYNGLA EVGKKFEKDT GIKVTVEHPD KLEEKFPQVA DATA SEQUENCE ATGDGPDIIF WAHDRFGGYA QSGLLAEITP DKAFQDKLYP FTWDAVRYNG DATA SEQUENCE KLIAYPIAVE ALSLIYNKDL LPNPPKTWEE IPALDKELKA KGKSALMFNL DATA SEQUENCE QEPYFTWPLI AADGGYAFKY ENGKYDIKDV GVDNAGAKAG LTFLVDLIKN DATA SEQUENCE KHMNADTDYS IAEAAFNKGE TAMTINGPWA WSNIDTSKVN YGVTVLPTFK DATA SEQUENCE GQPSKPFVGV LSAGINAASP NKELAKEFLE NYLLTDEGLE AVNKDKPLGA DATA SEQUENCE VALKSYEEEL AKDPRIAATM ENAQKGEIMP NIPQMSAFWY AVRTAVINAA DATA SEQUENCE SGRQTVDAAL AAAQTNAAAV KVEcLEAELV VTVSRDLFGT GKLVQPGDLT DATA SEQUENCE LGSEGcQPRV SVDTDVVRFN AQLHEcSSRV QMTKDALVYS TFLLHDPRPV DATA SEQUENCE SGLSILRTNR VEVPIEcRYP RL 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.675 174.700 -0.042 0.000 1.109 3 T CA 0.000 62.066 62.100 -0.057 0.000 1.349 3 T CB 0.000 68.823 68.868 -0.076 0.000 0.612 4 E N 0.071 120.252 120.200 -0.032 0.000 2.249 4 E HA 0.652 5.002 4.350 0.000 0.000 0.263 4 E C -0.458 176.130 176.600 -0.019 0.000 0.950 4 E CA -1.017 55.369 56.400 -0.023 0.000 0.827 4 E CB 1.951 31.642 29.700 -0.017 0.000 1.220 4 E HN 0.814 nan 8.360 nan 0.000 0.411 5 E N 0.021 120.213 120.200 -0.014 0.000 2.349 5 E HA 0.363 4.713 4.350 0.000 0.000 0.265 5 E C 0.292 176.891 176.600 -0.002 0.000 1.064 5 E CA 0.321 56.717 56.400 -0.008 0.000 0.886 5 E CB 0.668 30.365 29.700 -0.006 0.000 1.036 5 E HN 0.828 nan 8.360 nan 0.000 0.413 6 G N 2.925 111.728 108.800 0.005 0.000 2.132 6 G HA2 -0.265 3.695 3.960 0.000 0.000 0.234 6 G HA3 -0.265 3.695 3.960 0.000 0.000 0.234 6 G C -0.226 174.683 174.900 0.015 0.000 0.989 6 G CA 0.673 45.780 45.100 0.010 0.000 0.676 6 G HN 0.685 nan 8.290 nan 0.000 0.522 7 K N -1.412 118.995 120.400 0.011 0.000 2.571 7 K HA 0.809 5.129 4.320 0.000 0.000 0.289 7 K C -1.483 175.103 176.600 -0.023 0.000 1.028 7 K CA -1.334 54.957 56.287 0.007 0.000 0.895 7 K CB 1.122 33.620 32.500 -0.003 0.000 1.534 7 K HN 0.261 nan 8.250 nan 0.000 0.421 8 L N 1.728 122.914 121.223 -0.062 0.000 2.376 8 L HA 0.485 4.825 4.340 0.000 0.000 0.275 8 L C -1.144 175.652 176.870 -0.122 0.000 0.987 8 L CA -1.232 53.528 54.840 -0.133 0.000 0.828 8 L CB 2.204 44.090 42.059 -0.289 0.000 1.249 8 L HN 0.395 nan 8.230 nan 0.000 0.409 9 V N 4.821 124.679 119.914 -0.093 0.000 2.398 9 V HA 0.502 4.622 4.120 0.000 0.000 0.286 9 V C 0.011 176.078 176.094 -0.044 0.000 1.026 9 V CA -0.328 61.944 62.300 -0.047 0.000 0.868 9 V CB 1.920 33.726 31.823 -0.027 0.000 0.982 9 V HN 0.499 nan 8.190 nan 0.000 0.443 10 I N 3.586 124.189 120.570 0.055 0.000 2.465 10 I HA 0.446 4.616 4.170 0.000 0.000 0.291 10 I C -1.178 175.175 176.117 0.393 0.000 1.014 10 I CA -0.436 60.958 61.300 0.157 0.000 1.093 10 I CB 2.193 40.267 38.000 0.123 0.000 1.267 10 I HN 0.507 nan 8.210 nan 0.000 0.431 11 W N 7.192 128.572 121.300 0.135 0.000 2.429 11 W HA 0.687 5.347 4.660 0.000 0.000 0.314 11 W C -0.393 176.253 176.519 0.212 0.000 1.062 11 W CA -0.989 56.428 57.345 0.119 0.000 1.211 11 W CB 1.284 30.796 29.460 0.087 0.000 1.305 11 W HN 0.216 nan 8.180 nan 0.000 0.476 12 I N 3.255 124.010 120.570 0.309 0.000 2.802 12 I HA 0.303 4.473 4.170 0.000 0.000 0.298 12 I C -0.314 175.891 176.117 0.148 0.000 1.176 12 I CA -0.877 60.552 61.300 0.214 0.000 1.025 12 I CB 1.764 39.723 38.000 -0.068 0.000 1.243 12 I HN 0.242 nan 8.210 nan 0.000 0.424 13 N N 3.421 122.194 118.700 0.121 0.000 2.479 13 N HA 0.186 4.926 4.740 0.000 0.000 0.257 13 N C 1.048 176.542 175.510 -0.026 0.000 1.232 13 N CA 1.073 54.146 53.050 0.039 0.000 0.920 13 N CB 1.536 39.914 38.487 -0.182 0.000 1.105 13 N HN 0.745 nan 8.380 nan 0.000 0.444 14 G N 1.047 109.823 108.800 -0.041 0.000 2.535 14 G HA2 -0.230 3.730 3.960 0.000 0.000 0.218 14 G HA3 -0.230 3.730 3.960 0.000 0.000 0.218 14 G C 0.675 175.562 174.900 -0.021 0.000 1.122 14 G CA 0.889 45.950 45.100 -0.066 0.000 0.769 14 G HN 0.825 nan 8.290 nan 0.000 0.549 15 D N -0.490 119.797 120.400 -0.188 0.000 2.340 15 D HA 0.071 4.711 4.640 0.000 0.000 0.220 15 D C 0.839 177.016 176.300 -0.205 0.000 1.039 15 D CA 0.176 54.022 54.000 -0.257 0.000 0.866 15 D CB 0.226 40.684 40.800 -0.570 0.000 0.913 15 D HN -0.001 nan 8.370 nan 0.000 0.523 16 K N 0.138 120.447 120.400 -0.151 0.000 2.168 16 K HA 0.532 4.853 4.320 0.000 0.000 0.239 16 K C 0.813 177.344 176.600 -0.115 0.000 0.999 16 K CA -0.787 55.433 56.287 -0.112 0.000 0.900 16 K CB 0.905 33.328 32.500 -0.128 0.000 1.111 16 K HN 0.014 nan 8.250 nan 0.000 0.452 17 G N 1.855 110.588 108.800 -0.112 0.000 3.102 17 G HA2 0.082 4.043 3.960 0.000 0.000 0.264 17 G HA3 0.082 4.043 3.960 0.000 0.000 0.264 17 G C 0.678 175.476 174.900 -0.169 0.000 0.788 17 G CA -0.106 44.889 45.100 -0.174 0.000 2.029 17 G HN 0.590 nan 8.290 nan 0.000 0.608 18 Y N -0.484 119.750 120.300 -0.111 0.000 2.395 18 Y HA 0.025 4.575 4.550 0.000 0.000 0.293 18 Y C 1.977 177.853 175.900 -0.040 0.000 1.123 18 Y CA 0.663 58.705 58.100 -0.096 0.000 1.227 18 Y CB -0.474 37.926 38.460 -0.100 0.000 1.012 18 Y HN 0.360 nan 8.280 nan 0.000 0.552 19 N N 0.759 119.359 118.700 -0.167 0.000 2.216 19 N HA -0.040 4.700 4.740 0.000 0.000 0.183 19 N C 2.192 177.698 175.510 -0.006 0.000 1.017 19 N CA 1.100 54.132 53.050 -0.030 0.000 0.861 19 N CB -0.463 37.953 38.487 -0.117 0.000 0.986 19 N HN 0.531 nan 8.380 nan 0.000 0.428 20 G N 1.233 110.004 108.800 -0.048 0.000 2.421 20 G HA2 -0.220 3.740 3.960 0.000 0.000 0.216 20 G HA3 -0.220 3.740 3.960 0.000 0.000 0.216 20 G C 1.430 176.347 174.900 0.029 0.000 1.171 20 G CA 0.419 45.515 45.100 -0.007 0.000 0.775 20 G HN 0.151 nan 8.290 nan 0.000 0.543 21 L N 1.442 122.678 121.223 0.022 0.000 2.079 21 L HA 0.104 4.444 4.340 0.000 0.000 0.210 21 L C 3.037 179.987 176.870 0.133 0.000 1.081 21 L CA 2.016 56.894 54.840 0.063 0.000 0.752 21 L CB -0.663 41.382 42.059 -0.024 0.000 0.896 21 L HN 0.244 nan 8.230 nan 0.000 0.433 22 A N -0.966 121.920 122.820 0.110 0.000 1.933 22 A HA -0.221 4.099 4.320 0.000 0.000 0.218 22 A C 2.160 179.816 177.584 0.120 0.000 1.175 22 A CA 1.739 53.846 52.037 0.115 0.000 0.628 22 A CB -0.552 18.519 19.000 0.118 0.000 0.814 22 A HN 0.601 nan 8.150 nan 0.000 0.444 23 E N -0.404 119.859 120.200 0.104 0.000 2.077 23 E HA -0.116 4.234 4.350 0.000 0.000 0.193 23 E C 1.918 178.604 176.600 0.143 0.000 0.989 23 E CA 1.248 57.709 56.400 0.102 0.000 0.800 23 E CB -0.239 29.503 29.700 0.071 0.000 0.746 23 E HN 0.402 nan 8.360 nan 0.000 0.452 24 V N 0.735 120.748 119.914 0.165 0.000 2.407 24 V HA -0.193 3.927 4.120 0.000 0.000 0.248 24 V C 2.287 178.612 176.094 0.384 0.000 1.055 24 V CA 1.920 64.356 62.300 0.227 0.000 1.049 24 V CB -0.855 31.056 31.823 0.148 0.000 0.662 24 V HN 0.415 nan 8.190 nan 0.000 0.455 25 G N -0.461 108.562 108.800 0.371 0.000 2.408 25 G HA2 -0.179 3.781 3.960 0.000 0.000 0.217 25 G HA3 -0.179 3.781 3.960 0.000 0.000 0.217 25 G C 1.663 176.704 174.900 0.235 0.000 1.150 25 G CA 0.394 45.673 45.100 0.299 0.000 0.776 25 G HN 0.375 nan 8.290 nan 0.000 0.542 26 K N 0.529 121.037 120.400 0.180 0.000 2.057 26 K HA -0.081 4.239 4.320 0.000 0.000 0.207 26 K C 2.357 179.048 176.600 0.152 0.000 1.049 26 K CA 1.277 57.646 56.287 0.137 0.000 0.931 26 K CB -0.216 32.348 32.500 0.107 0.000 0.714 26 K HN 0.368 nan 8.250 nan 0.000 0.440 27 K N 0.264 120.784 120.400 0.200 0.000 2.057 27 K HA -0.141 4.179 4.320 0.000 0.000 0.206 27 K C 2.095 178.842 176.600 0.245 0.000 1.050 27 K CA 0.958 57.382 56.287 0.229 0.000 0.935 27 K CB -0.252 32.418 32.500 0.283 0.000 0.715 27 K HN -0.042 nan 8.250 nan 0.000 0.439 28 F N 2.292 122.264 119.950 0.038 0.000 2.126 28 F HA -0.208 4.319 4.527 0.000 0.000 0.299 28 F C 2.232 177.955 175.800 -0.128 0.000 1.096 28 F CA 2.099 59.928 58.000 -0.285 0.000 1.255 28 F CB -0.204 38.669 39.000 -0.211 0.000 0.997 28 F HN 0.216 nan 8.300 nan 0.000 0.479 29 E N 0.191 120.422 120.200 0.052 0.000 2.077 29 E HA -0.279 4.071 4.350 0.000 0.000 0.193 29 E C 2.358 178.925 176.600 -0.056 0.000 0.989 29 E CA 1.304 57.690 56.400 -0.022 0.000 0.800 29 E CB -0.232 29.498 29.700 0.050 0.000 0.746 29 E HN 0.432 nan 8.360 nan 0.000 0.452 30 K N 0.257 120.656 120.400 -0.002 0.000 2.032 30 K HA -0.205 4.115 4.320 0.000 0.000 0.209 30 K C 1.478 178.065 176.600 -0.022 0.000 1.048 30 K CA 2.102 58.393 56.287 0.007 0.000 0.927 30 K CB 0.012 32.541 32.500 0.048 0.000 0.712 30 K HN 0.082 nan 8.250 nan 0.000 0.441 31 D N -0.881 119.500 120.400 -0.032 0.000 2.194 31 D HA -0.055 4.585 4.640 0.000 0.000 0.204 31 D C 1.433 177.656 176.300 -0.128 0.000 0.964 31 D CA 1.251 55.233 54.000 -0.030 0.000 0.846 31 D CB 0.102 40.960 40.800 0.096 0.000 0.962 31 D HN 0.265 nan 8.370 nan 0.000 0.490 32 T N -1.900 112.481 114.554 -0.290 0.000 3.000 32 T HA 0.334 4.685 4.350 0.000 0.000 0.248 32 T C 1.548 176.114 174.700 -0.224 0.000 1.034 32 T CA 0.573 62.461 62.100 -0.353 0.000 1.060 32 T CB 1.157 69.550 68.868 -0.793 0.000 0.983 32 T HN 0.228 nan 8.240 nan 0.000 0.482 33 G N 1.500 110.195 108.800 -0.176 0.000 2.199 33 G HA2 -0.211 3.749 3.960 0.000 0.000 0.254 33 G HA3 -0.211 3.749 3.960 0.000 0.000 0.254 33 G C -0.032 174.826 174.900 -0.070 0.000 0.982 33 G CA -0.306 44.739 45.100 -0.093 0.000 0.632 33 G HN 0.462 nan 8.290 nan 0.000 0.529 34 I N 1.664 122.172 120.570 -0.102 0.000 2.352 34 I HA 0.367 4.537 4.170 0.000 0.000 0.290 34 I C 0.730 176.888 176.117 0.068 0.000 1.036 34 I CA -0.657 60.643 61.300 0.001 0.000 1.336 34 I CB 1.458 39.503 38.000 0.074 0.000 1.407 34 I HN 0.187 nan 8.210 nan 0.000 0.497 35 K N 5.234 125.661 120.400 0.046 0.000 2.326 35 K HA 0.467 4.787 4.320 0.000 0.000 0.275 35 K C -1.145 175.472 176.600 0.028 0.000 1.018 35 K CA -0.292 56.020 56.287 0.041 0.000 0.962 35 K CB 0.712 33.224 32.500 0.020 0.000 0.953 35 K HN 0.402 nan 8.250 nan 0.000 0.475 36 V N 3.668 123.587 119.914 0.009 0.000 2.407 36 V HA 0.211 4.331 4.120 0.000 0.000 0.291 36 V C -0.702 175.362 176.094 -0.050 0.000 1.018 36 V CA -0.780 61.469 62.300 -0.086 0.000 0.842 36 V CB 1.777 33.486 31.823 -0.190 0.000 0.996 36 V HN 0.838 nan 8.190 nan 0.000 0.426 37 T N 4.672 119.197 114.554 -0.048 0.000 2.770 37 T HA 0.448 4.799 4.350 0.000 0.000 0.297 37 T C -0.156 174.556 174.700 0.019 0.000 0.997 37 T CA -0.296 61.804 62.100 -0.001 0.000 0.949 37 T CB 1.240 70.116 68.868 0.015 0.000 0.941 37 T HN 0.323 nan 8.240 nan 0.000 0.457 38 V N 4.724 124.661 119.914 0.038 0.000 2.432 38 V HA 0.378 4.498 4.120 0.000 0.000 0.275 38 V C 0.283 176.417 176.094 0.066 0.000 1.043 38 V CA -0.486 61.856 62.300 0.071 0.000 0.925 38 V CB 0.998 32.873 31.823 0.087 0.000 0.985 38 V HN 0.824 nan 8.190 nan 0.000 0.466 39 E N 3.407 123.655 120.200 0.080 0.000 2.312 39 E HA 0.506 4.856 4.350 0.000 0.000 0.267 39 E C -0.935 175.567 176.600 -0.163 0.000 0.894 39 E CA -0.735 55.611 56.400 -0.091 0.000 0.773 39 E CB 2.101 31.753 29.700 -0.079 0.000 1.241 39 E HN 0.897 nan 8.360 nan 0.000 0.432 40 H N -0.047 118.795 119.070 -0.380 0.000 2.379 40 H HA 0.324 4.880 4.556 0.000 0.000 0.229 40 H C -2.672 172.416 175.328 -0.399 0.000 1.423 40 H CA -2.187 53.624 56.048 -0.394 0.000 1.375 40 H CB -0.295 29.142 29.762 -0.542 0.000 1.592 40 H HN 0.232 nan 8.280 nan 0.000 0.507 41 P HA 0.037 nan 4.420 nan 0.000 0.272 41 P C 0.155 177.254 177.300 -0.335 0.000 1.223 41 P CA -0.101 62.665 63.100 -0.556 0.000 0.784 41 P CB 1.373 32.536 31.700 -0.895 0.000 0.923 42 D N 1.502 121.759 120.400 -0.238 0.000 2.372 42 D HA 0.027 4.667 4.640 0.000 0.000 0.243 42 D C 0.403 176.615 176.300 -0.146 0.000 1.121 42 D CA 0.150 54.069 54.000 -0.135 0.000 0.898 42 D CB 0.255 41.002 40.800 -0.088 0.000 1.202 42 D HN 0.228 nan 8.370 nan 0.000 0.428 43 K N 1.982 122.323 120.400 -0.098 0.000 3.035 43 K HA -0.195 4.125 4.320 0.000 0.000 0.262 43 K C 1.205 177.700 176.600 -0.174 0.000 1.024 43 K CA 0.712 56.926 56.287 -0.122 0.000 0.748 43 K CB -2.074 30.368 32.500 -0.097 0.000 1.247 43 K HN 0.522 nan 8.250 nan 0.000 0.482 44 L N -0.302 120.805 121.223 -0.194 0.000 2.191 44 L HA -0.108 4.232 4.340 0.000 0.000 0.212 44 L C 2.303 179.098 176.870 -0.125 0.000 1.103 44 L CA 2.093 56.840 54.840 -0.155 0.000 0.769 44 L CB -0.426 41.571 42.059 -0.103 0.000 0.908 44 L HN 0.273 nan 8.230 nan 0.000 0.438 45 E N 1.010 120.898 120.200 -0.521 0.000 2.204 45 E HA -0.251 4.099 4.350 0.000 0.000 0.194 45 E C 1.583 178.043 176.600 -0.234 0.000 0.989 45 E CA 1.774 57.769 56.400 -0.676 0.000 0.824 45 E CB -0.415 28.313 29.700 -1.620 0.000 0.756 45 E HN 0.827 nan 8.360 nan 0.000 0.477 46 E N 0.745 120.833 120.200 -0.187 0.000 2.140 46 E HA 0.022 4.372 4.350 0.000 0.000 0.191 46 E C 2.102 178.687 176.600 -0.025 0.000 0.973 46 E CA 0.369 56.721 56.400 -0.082 0.000 0.829 46 E CB 0.111 29.756 29.700 -0.092 0.000 0.781 46 E HN 0.220 nan 8.360 nan 0.000 0.466 47 K N 0.525 120.929 120.400 0.007 0.000 2.103 47 K HA -0.097 4.223 4.320 0.000 0.000 0.204 47 K C 1.940 178.634 176.600 0.158 0.000 1.052 47 K CA 0.810 57.148 56.287 0.085 0.000 0.945 47 K CB -0.186 32.367 32.500 0.089 0.000 0.722 47 K HN 0.019 nan 8.250 nan 0.000 0.443 48 F N 3.413 123.406 119.950 0.071 0.000 2.043 48 F HA -0.189 4.338 4.527 0.000 0.000 0.297 48 F C -1.135 174.485 175.800 -0.300 0.000 1.118 48 F CA 1.396 59.303 58.000 -0.155 0.000 1.202 48 F CB -1.047 37.716 39.000 -0.396 0.000 0.965 48 F HN -0.013 nan 8.300 nan 0.000 0.482 49 P HA -0.191 nan 4.420 nan 0.000 0.220 49 P C 1.201 178.307 177.300 -0.323 0.000 1.148 49 P CA 1.799 64.636 63.100 -0.438 0.000 0.803 49 P CB -0.250 31.385 31.700 -0.109 0.000 0.782 50 Q N -0.055 119.619 119.800 -0.209 0.000 2.016 50 Q HA -0.087 4.253 4.340 0.000 0.000 0.200 50 Q C 2.329 178.222 176.000 -0.180 0.000 0.978 50 Q CA 1.975 57.691 55.803 -0.145 0.000 0.833 50 Q CB -0.668 28.026 28.738 -0.073 0.000 0.895 50 Q HN 0.230 nan 8.270 nan 0.000 0.427 51 V N -2.269 117.521 119.914 -0.205 0.000 2.488 51 V HA 0.038 4.159 4.120 0.000 0.000 0.246 51 V C 2.141 178.034 176.094 -0.335 0.000 1.046 51 V CA 1.350 63.525 62.300 -0.208 0.000 1.053 51 V CB -1.039 30.711 31.823 -0.122 0.000 0.679 51 V HN 0.251 nan 8.190 nan 0.000 0.458 52 A N 0.857 123.327 122.820 -0.584 0.000 1.972 52 A HA 0.121 4.441 4.320 0.000 0.000 0.219 52 A C 2.423 179.770 177.584 -0.394 0.000 1.169 52 A CA 2.038 53.683 52.037 -0.654 0.000 0.635 52 A CB -0.911 17.313 19.000 -1.294 0.000 0.810 52 A HN 0.929 nan 8.150 nan 0.000 0.446 53 A N -0.253 122.370 122.820 -0.328 0.000 2.015 53 A HA -0.040 4.280 4.320 0.000 0.000 0.219 53 A C 2.239 179.732 177.584 -0.152 0.000 1.163 53 A CA 2.075 53.989 52.037 -0.205 0.000 0.646 53 A CB -1.123 17.778 19.000 -0.166 0.000 0.806 53 A HN 0.775 nan 8.150 nan 0.000 0.448 54 T N -4.438 110.024 114.554 -0.155 0.000 3.148 54 T HA 0.382 4.732 4.350 0.000 0.000 0.253 54 T C 1.340 175.973 174.700 -0.111 0.000 1.134 54 T CA 1.106 63.137 62.100 -0.115 0.000 1.051 54 T CB -0.051 68.756 68.868 -0.100 0.000 0.959 54 T HN 1.644 nan 8.240 nan 0.000 0.525 55 G N 0.667 109.384 108.800 -0.138 0.000 2.175 55 G HA2 -0.183 3.777 3.960 0.000 0.000 0.244 55 G HA3 -0.183 3.777 3.960 0.000 0.000 0.244 55 G C -0.163 174.658 174.900 -0.133 0.000 0.982 55 G CA 0.150 45.178 45.100 -0.121 0.000 0.641 55 G HN 0.583 nan 8.290 nan 0.000 0.527 56 D N 0.033 120.335 120.400 -0.163 0.000 2.538 56 D HA 0.633 5.273 4.640 0.000 0.000 0.262 56 D C 1.140 177.298 176.300 -0.237 0.000 1.186 56 D CA 0.863 54.768 54.000 -0.157 0.000 1.090 56 D CB 0.153 40.883 40.800 -0.117 0.000 1.187 56 D HN 1.425 nan 8.370 nan 0.000 0.614 57 G N 0.306 108.955 108.800 -0.251 0.000 2.757 57 G HA2 -0.085 3.875 3.960 0.000 0.000 0.638 57 G HA3 -0.085 3.875 3.960 0.000 0.000 0.638 57 G C -2.823 171.814 174.900 -0.438 0.000 1.344 57 G CA -0.716 44.123 45.100 -0.436 0.000 0.855 57 G HN 0.384 nan 8.290 nan 0.000 0.537 58 P HA 0.288 nan 4.420 nan 0.000 0.276 58 P C 0.167 177.316 177.300 -0.251 0.000 1.261 58 P CA -0.146 62.628 63.100 -0.543 0.000 0.800 58 P CB 0.857 31.978 31.700 -0.964 0.000 1.066 59 D N -0.072 120.230 120.400 -0.163 0.000 2.123 59 D HA 0.019 4.659 4.640 0.000 0.000 0.200 59 D C 0.727 176.992 176.300 -0.058 0.000 0.976 59 D CA 1.483 55.430 54.000 -0.088 0.000 0.831 59 D CB 0.242 40.994 40.800 -0.080 0.000 0.974 59 D HN 0.352 nan 8.370 nan 0.000 0.469 60 I N 0.869 121.400 120.570 -0.064 0.000 2.545 60 I HA 0.363 4.533 4.170 0.000 0.000 0.292 60 I C -0.574 175.539 176.117 -0.007 0.000 1.040 60 I CA -0.786 60.505 61.300 -0.015 0.000 1.068 60 I CB 3.211 41.254 38.000 0.072 0.000 1.251 60 I HN -0.182 nan 8.210 nan 0.000 0.424 61 I N 5.264 125.786 120.570 -0.080 0.000 2.447 61 I HA 0.454 4.624 4.170 0.000 0.000 0.287 61 I C -1.475 174.740 176.117 0.163 0.000 1.023 61 I CA -0.434 60.842 61.300 -0.040 0.000 1.083 61 I CB 1.231 38.815 38.000 -0.693 0.000 1.245 61 I HN 0.332 nan 8.210 nan 0.000 0.434 62 F N 7.999 128.106 119.950 0.261 0.000 2.408 62 F HA 0.519 5.046 4.527 0.000 0.000 0.344 62 F C -0.250 175.845 175.800 0.491 0.000 1.112 62 F CA 0.013 58.218 58.000 0.341 0.000 1.096 62 F CB 1.116 40.249 39.000 0.223 0.000 1.129 62 F HN 0.451 nan 8.300 nan 0.000 0.486 63 W N 1.727 123.300 121.300 0.455 0.000 2.989 63 W HA 0.594 5.254 4.660 0.000 0.000 0.344 63 W C -1.237 175.488 176.519 0.344 0.000 1.233 63 W CA -1.335 56.196 57.345 0.310 0.000 1.187 63 W CB 1.451 31.018 29.460 0.178 0.000 1.443 63 W HN 0.645 nan 8.180 nan 0.000 0.573 64 A N 2.374 125.094 122.820 -0.168 0.000 2.507 64 A HA -0.026 4.294 4.320 0.000 0.000 0.235 64 A C 1.393 179.202 177.584 0.375 0.000 1.070 64 A CA 1.044 53.103 52.037 0.036 0.000 0.768 64 A CB -0.176 18.706 19.000 -0.197 0.000 1.011 64 A HN 0.783 nan 8.150 nan 0.000 0.502 65 H N 1.168 120.356 119.070 0.197 0.000 2.518 65 H HA -0.136 4.420 4.556 0.000 0.000 0.289 65 H C 1.012 176.506 175.328 0.276 0.000 1.051 65 H CA 1.396 57.554 56.048 0.184 0.000 1.280 65 H CB -0.345 29.419 29.762 0.002 0.000 1.380 65 H HN 0.832 nan 8.280 nan 0.000 0.566 66 D N 1.233 121.415 120.400 -0.363 0.000 2.219 66 D HA -0.160 4.480 4.640 0.000 0.000 0.205 66 D C 1.784 178.021 176.300 -0.105 0.000 0.970 66 D CA 0.360 54.190 54.000 -0.284 0.000 0.851 66 D CB -0.245 40.440 40.800 -0.192 0.000 0.943 66 D HN 0.250 nan 8.370 nan 0.000 0.488 67 R N -0.593 119.862 120.500 -0.075 0.000 2.240 67 R HA 0.070 4.410 4.340 0.000 0.000 0.203 67 R C 1.856 177.595 176.300 -0.935 0.000 1.011 67 R CA 0.080 55.870 56.100 -0.517 0.000 1.007 67 R CB -0.500 29.382 30.300 -0.697 0.000 0.911 67 R HN 0.273 nan 8.270 nan 0.000 0.468 68 F N -0.031 119.638 119.950 -0.468 0.000 2.367 68 F HA 0.059 4.586 4.527 0.000 0.000 0.298 68 F C 2.420 178.004 175.800 -0.360 0.000 1.094 68 F CA 1.043 58.840 58.000 -0.338 0.000 1.409 68 F CB -0.563 38.405 39.000 -0.054 0.000 1.064 68 F HN 0.094 nan 8.300 nan 0.000 0.528 69 G N -0.112 108.501 108.800 -0.313 0.000 2.408 69 G HA2 -0.153 3.807 3.960 0.000 0.000 0.217 69 G HA3 -0.153 3.807 3.960 0.000 0.000 0.217 69 G C 2.060 176.528 174.900 -0.721 0.000 1.150 69 G CA 0.819 45.435 45.100 -0.807 0.000 0.776 69 G HN 0.474 nan 8.290 nan 0.000 0.542 70 G N 0.143 108.672 108.800 -0.452 0.000 2.421 70 G HA2 -0.204 3.756 3.960 0.000 0.000 0.216 70 G HA3 -0.204 3.756 3.960 0.000 0.000 0.216 70 G C 1.622 176.460 174.900 -0.104 0.000 1.171 70 G CA 1.087 46.022 45.100 -0.275 0.000 0.775 70 G HN 0.368 nan 8.290 nan 0.000 0.543 71 Y N 1.404 121.620 120.300 -0.140 0.000 2.128 71 Y HA 0.017 4.567 4.550 0.000 0.000 0.284 71 Y C 3.159 179.042 175.900 -0.029 0.000 1.154 71 Y CA 0.160 58.232 58.100 -0.047 0.000 1.149 71 Y CB -1.315 37.142 38.460 -0.005 0.000 0.976 71 Y HN 0.273 nan 8.280 nan 0.000 0.505 72 A N 0.070 122.937 122.820 0.080 0.000 1.883 72 A HA -0.303 4.017 4.320 0.000 0.000 0.217 72 A C 2.312 179.933 177.584 0.062 0.000 1.186 72 A CA 1.988 54.062 52.037 0.062 0.000 0.624 72 A CB -1.054 17.952 19.000 0.010 0.000 0.822 72 A HN 0.543 nan 8.150 nan 0.000 0.444 73 Q N -0.347 119.435 119.800 -0.031 0.000 2.181 73 Q HA -0.144 4.196 4.340 0.000 0.000 0.205 73 Q C 1.603 177.635 176.000 0.055 0.000 0.980 73 Q CA 1.783 57.632 55.803 0.075 0.000 0.862 73 Q CB -0.172 28.590 28.738 0.040 0.000 0.905 73 Q HN 0.530 nan 8.270 nan 0.000 0.429 74 S N -0.801 114.921 115.700 0.036 0.000 2.603 74 S HA 0.169 4.639 4.470 0.000 0.000 0.220 74 S C 0.747 175.357 174.600 0.016 0.000 0.967 74 S CA 0.538 58.752 58.200 0.023 0.000 0.920 74 S CB 0.337 63.548 63.200 0.019 0.000 0.773 74 S HN 0.722 nan 8.310 nan 0.000 0.529 75 G N 1.374 110.198 108.800 0.041 0.000 2.198 75 G HA2 -0.226 3.734 3.960 0.000 0.000 0.257 75 G HA3 -0.226 3.734 3.960 0.000 0.000 0.257 75 G C 0.411 175.323 174.900 0.019 0.000 1.042 75 G CA 0.303 45.423 45.100 0.034 0.000 0.791 75 G HN 0.534 nan 8.290 nan 0.000 0.502 76 L N -1.340 119.909 121.223 0.044 0.000 2.616 76 L HA 0.439 4.779 4.340 0.000 0.000 0.229 76 L C 1.092 178.033 176.870 0.119 0.000 1.110 76 L CA 0.185 55.032 54.840 0.012 0.000 0.884 76 L CB 0.173 42.201 42.059 -0.052 0.000 1.115 76 L HN 0.200 nan 8.230 nan 0.000 0.481 77 L N 0.187 121.498 121.223 0.147 0.000 2.346 77 L HA 0.638 4.978 4.340 0.000 0.000 0.276 77 L C 0.131 177.070 176.870 0.115 0.000 1.006 77 L CA -0.618 54.325 54.840 0.172 0.000 0.817 77 L CB 2.006 44.202 42.059 0.228 0.000 1.272 77 L HN -0.096 nan 8.230 nan 0.000 0.421 78 A N 2.163 125.042 122.820 0.099 0.000 2.388 78 A HA 0.230 4.550 4.320 0.000 0.000 0.257 78 A C 0.008 177.633 177.584 0.068 0.000 1.095 78 A CA -0.264 51.817 52.037 0.072 0.000 0.791 78 A CB 0.409 19.447 19.000 0.064 0.000 1.029 78 A HN 0.787 nan 8.150 nan 0.000 0.489 79 E N 1.268 121.499 120.200 0.051 0.000 2.344 79 E HA 0.308 4.658 4.350 0.000 0.000 0.270 79 E C -0.313 176.292 176.600 0.008 0.000 1.021 79 E CA -0.239 56.180 56.400 0.032 0.000 0.887 79 E CB 0.284 29.999 29.700 0.025 0.000 0.997 79 E HN 0.563 nan 8.360 nan 0.000 0.429 80 I N 1.567 122.114 120.570 -0.039 0.000 2.428 80 I HA 0.372 4.542 4.170 0.000 0.000 0.296 80 I C -0.022 176.037 176.117 -0.097 0.000 0.985 80 I CA -0.529 60.712 61.300 -0.099 0.000 1.260 80 I CB 1.794 39.582 38.000 -0.354 0.000 1.389 80 I HN 0.376 nan 8.210 nan 0.000 0.484 81 T N 2.429 116.956 114.554 -0.045 0.000 3.585 81 T HA 0.501 4.851 4.350 0.000 0.000 0.252 81 T C -2.513 172.179 174.700 -0.013 0.000 1.382 81 T CA -1.375 60.703 62.100 -0.036 0.000 1.584 81 T CB -0.088 68.775 68.868 -0.009 0.000 0.892 81 T HN 0.527 nan 8.240 nan 0.000 0.671 82 P HA 0.360 nan 4.420 nan 0.000 0.279 82 P C -0.190 177.122 177.300 0.021 0.000 1.239 82 P CA -0.236 62.895 63.100 0.052 0.000 0.789 82 P CB 0.735 32.566 31.700 0.219 0.000 0.933 83 D N 0.824 121.266 120.400 0.070 0.000 2.371 83 D HA 0.041 4.681 4.640 0.000 0.000 0.242 83 D C 1.143 177.475 176.300 0.053 0.000 1.218 83 D CA -0.385 53.645 54.000 0.049 0.000 0.945 83 D CB 0.584 41.420 40.800 0.060 0.000 1.137 83 D HN 0.073 nan 8.370 nan 0.000 0.464 84 K N 0.585 120.992 120.400 0.011 0.000 2.103 84 K HA -0.143 4.177 4.320 0.000 0.000 0.207 84 K C 1.913 178.531 176.600 0.030 0.000 1.048 84 K CA 1.806 58.086 56.287 -0.011 0.000 0.930 84 K CB -0.825 31.665 32.500 -0.017 0.000 0.716 84 K HN 0.514 nan 8.250 nan 0.000 0.444 85 A N -0.226 122.633 122.820 0.066 0.000 1.908 85 A HA -0.144 4.176 4.320 0.000 0.000 0.218 85 A C 2.205 179.865 177.584 0.126 0.000 1.181 85 A CA 1.631 53.717 52.037 0.081 0.000 0.627 85 A CB -0.890 18.163 19.000 0.088 0.000 0.818 85 A HN 0.463 nan 8.150 nan 0.000 0.445 86 F N 0.460 120.448 119.950 0.063 0.000 2.113 86 F HA -0.140 4.387 4.527 0.000 0.000 0.297 86 F C 2.532 178.458 175.800 0.211 0.000 1.103 86 F CA 2.056 60.136 58.000 0.133 0.000 1.248 86 F CB -0.397 38.705 39.000 0.170 0.000 0.999 86 F HN 0.292 nan 8.300 nan 0.000 0.475 87 Q N -0.069 119.841 119.800 0.184 0.000 2.135 87 Q HA -0.235 4.106 4.340 0.000 0.000 0.204 87 Q C 1.702 177.778 176.000 0.127 0.000 0.981 87 Q CA 1.707 57.541 55.803 0.052 0.000 0.856 87 Q CB -0.305 28.205 28.738 -0.380 0.000 0.902 87 Q HN 0.398 nan 8.270 nan 0.000 0.425 88 D N 0.486 120.902 120.400 0.026 0.000 2.178 88 D HA -0.126 4.514 4.640 0.000 0.000 0.201 88 D C 1.381 177.652 176.300 -0.047 0.000 0.980 88 D CA 1.100 55.103 54.000 0.004 0.000 0.842 88 D CB -0.001 40.794 40.800 -0.008 0.000 0.948 88 D HN 0.206 nan 8.370 nan 0.000 0.472 89 K N -0.344 119.986 120.400 -0.116 0.000 2.283 89 K HA 0.030 4.350 4.320 0.000 0.000 0.202 89 K C 0.713 177.164 176.600 -0.248 0.000 1.048 89 K CA 0.471 56.633 56.287 -0.209 0.000 0.948 89 K CB 0.295 32.601 32.500 -0.323 0.000 0.742 89 K HN 0.157 nan 8.250 nan 0.000 0.458 90 L N 0.296 121.431 121.223 -0.147 0.000 2.334 90 L HA 0.318 4.658 4.340 0.000 0.000 0.270 90 L C -0.213 176.613 176.870 -0.074 0.000 1.018 90 L CA -1.332 53.398 54.840 -0.183 0.000 0.811 90 L CB 0.509 42.376 42.059 -0.320 0.000 1.271 90 L HN -0.096 nan 8.230 nan 0.000 0.443 91 Y N 1.412 121.710 120.300 -0.003 0.000 2.511 91 Y HA 0.052 4.602 4.550 0.000 0.000 0.332 91 Y C -1.376 174.628 175.900 0.174 0.000 1.177 91 Y CA -1.150 57.000 58.100 0.083 0.000 1.422 91 Y CB 0.090 38.593 38.460 0.071 0.000 1.271 91 Y HN 0.425 nan 8.280 nan 0.000 0.550 92 P HA -0.257 nan 4.420 nan 0.000 0.216 92 P C 1.647 179.139 177.300 0.321 0.000 1.150 92 P CA 1.484 64.807 63.100 0.372 0.000 0.843 92 P CB -0.071 31.786 31.700 0.262 0.000 0.787 93 F N 0.886 120.926 119.950 0.149 0.000 2.202 93 F HA -0.220 4.307 4.527 0.000 0.000 0.301 93 F C 2.060 177.873 175.800 0.021 0.000 1.082 93 F CA 2.148 60.188 58.000 0.066 0.000 1.313 93 F CB -0.915 38.095 39.000 0.017 0.000 1.024 93 F HN -0.027 nan 8.300 nan 0.000 0.495 94 T N -3.160 111.463 114.554 0.115 0.000 2.896 94 T HA -0.204 4.146 4.350 0.000 0.000 0.263 94 T C 1.801 176.370 174.700 -0.218 0.000 1.050 94 T CA 1.118 63.151 62.100 -0.112 0.000 1.140 94 T CB -1.189 67.619 68.868 -0.101 0.000 0.877 94 T HN 0.537 nan 8.240 nan 0.000 0.457 95 W N 2.038 123.323 121.300 -0.024 0.000 2.381 95 W HA 0.028 4.688 4.660 0.000 0.000 0.301 95 W C 2.172 178.635 176.519 -0.094 0.000 1.205 95 W CA 0.384 57.702 57.345 -0.046 0.000 1.285 95 W CB -0.218 29.237 29.460 -0.008 0.000 1.133 95 W HN 0.199 nan 8.180 nan 0.000 0.521 96 D N 0.230 120.691 120.400 0.101 0.000 2.133 96 D HA -0.228 4.412 4.640 0.000 0.000 0.195 96 D C 2.171 178.401 176.300 -0.117 0.000 0.997 96 D CA 2.005 55.985 54.000 -0.033 0.000 0.840 96 D CB -0.931 39.791 40.800 -0.131 0.000 0.947 96 D HN 0.135 nan 8.370 nan 0.000 0.452 97 A N 0.359 123.006 122.820 -0.289 0.000 1.972 97 A HA -0.096 4.224 4.320 0.000 0.000 0.219 97 A C 1.938 179.451 177.584 -0.118 0.000 1.169 97 A CA 1.476 53.281 52.037 -0.386 0.000 0.635 97 A CB -0.284 18.279 19.000 -0.728 0.000 0.810 97 A HN 0.246 nan 8.150 nan 0.000 0.446 98 V N -2.884 116.996 119.914 -0.056 0.000 3.110 98 V HA 0.445 4.565 4.120 0.000 0.000 0.368 98 V C 0.260 176.409 176.094 0.092 0.000 1.332 98 V CA -0.384 61.914 62.300 -0.003 0.000 1.287 98 V CB -0.946 30.831 31.823 -0.077 0.000 1.277 98 V HN 0.385 nan 8.190 nan 0.000 0.502 99 R N 0.774 121.344 120.500 0.117 0.000 2.437 99 R HA 0.578 4.918 4.340 0.000 0.000 0.310 99 R C -1.945 174.481 176.300 0.210 0.000 0.955 99 R CA -0.753 55.429 56.100 0.136 0.000 0.851 99 R CB 1.686 32.041 30.300 0.092 0.000 1.161 99 R HN 0.483 nan 8.270 nan 0.000 0.446 100 Y N 4.727 125.064 120.300 0.061 0.000 2.354 100 Y HA 0.220 4.770 4.550 0.000 0.000 0.330 100 Y C -0.758 175.172 175.900 0.050 0.000 1.011 100 Y CA -0.961 57.178 58.100 0.065 0.000 1.099 100 Y CB 1.349 39.855 38.460 0.078 0.000 1.179 100 Y HN 0.810 nan 8.280 nan 0.000 0.442 101 N N 4.237 122.623 118.700 -0.523 0.000 2.705 101 N HA -0.197 4.543 4.740 0.000 0.000 0.255 101 N C 0.916 176.347 175.510 -0.130 0.000 1.008 101 N CA 1.803 54.634 53.050 -0.365 0.000 0.742 101 N CB -1.117 37.106 38.487 -0.439 0.000 0.906 101 N HN 1.400 nan 8.380 nan 0.000 0.541 102 G N -1.637 107.117 108.800 -0.076 0.000 2.168 102 G HA2 -0.366 3.594 3.960 0.000 0.000 0.263 102 G HA3 -0.366 3.594 3.960 0.000 0.000 0.263 102 G C 0.060 174.954 174.900 -0.010 0.000 0.977 102 G CA 1.025 46.105 45.100 -0.034 0.000 0.659 102 G HN 0.581 nan 8.290 nan 0.000 0.533 103 K N -0.641 119.769 120.400 0.017 0.000 2.328 103 K HA 0.698 5.019 4.320 0.000 0.000 0.246 103 K C -0.007 176.627 176.600 0.057 0.000 0.955 103 K CA -0.987 55.320 56.287 0.034 0.000 0.817 103 K CB 1.847 34.383 32.500 0.060 0.000 1.208 103 K HN 0.079 nan 8.250 nan 0.000 0.432 104 L N 4.202 125.439 121.223 0.025 0.000 2.281 104 L HA 0.326 4.666 4.340 0.000 0.000 0.285 104 L C 1.043 177.933 176.870 0.033 0.000 1.074 104 L CA -0.074 54.786 54.840 0.035 0.000 0.817 104 L CB 0.481 42.527 42.059 -0.022 0.000 1.168 104 L HN 0.703 nan 8.230 nan 0.000 0.434 105 I N 0.027 120.634 120.570 0.061 0.000 4.154 105 I HA 0.625 4.795 4.170 0.000 0.000 0.334 105 I C 0.322 176.452 176.117 0.021 0.000 1.371 105 I CA -0.147 61.201 61.300 0.081 0.000 1.110 105 I CB 0.571 38.673 38.000 0.169 0.000 1.085 105 I HN 0.513 nan 8.210 nan 0.000 0.398 106 A N 0.251 123.015 122.820 -0.092 0.000 2.601 106 A HA 0.655 4.975 4.320 0.000 0.000 0.291 106 A C -2.058 175.397 177.584 -0.214 0.000 1.075 106 A CA -0.433 51.480 52.037 -0.207 0.000 0.671 106 A CB 0.611 19.283 19.000 -0.547 0.000 1.277 106 A HN 0.176 nan 8.150 nan 0.000 0.417 107 Y N 1.503 121.742 120.300 -0.101 0.000 2.327 107 Y HA 0.445 4.995 4.550 0.000 0.000 0.336 107 Y C -1.923 173.823 175.900 -0.256 0.000 1.035 107 Y CA -1.710 56.335 58.100 -0.091 0.000 1.165 107 Y CB 1.072 39.523 38.460 -0.015 0.000 1.181 107 Y HN 0.410 nan 8.280 nan 0.000 0.494 108 P HA 0.119 nan 4.420 nan 0.000 0.279 108 P C -0.078 177.138 177.300 -0.139 0.000 1.239 108 P CA 0.030 62.970 63.100 -0.267 0.000 0.789 108 P CB 1.726 33.158 31.700 -0.447 0.000 0.933 109 I N 0.916 121.464 120.570 -0.038 0.000 3.366 109 I HA 0.361 4.532 4.170 0.000 0.000 0.267 109 I C 1.017 177.176 176.117 0.071 0.000 1.149 109 I CA 0.216 61.549 61.300 0.056 0.000 1.436 109 I CB -0.923 37.175 38.000 0.162 0.000 1.379 109 I HN 0.354 nan 8.210 nan 0.000 0.460 110 A N 0.537 123.404 122.820 0.078 0.000 2.604 110 A HA 0.642 4.962 4.320 0.000 0.000 0.295 110 A C -1.198 176.450 177.584 0.105 0.000 1.067 110 A CA -0.388 51.708 52.037 0.099 0.000 0.683 110 A CB 1.398 20.467 19.000 0.115 0.000 1.281 110 A HN -0.154 nan 8.150 nan 0.000 0.407 111 V N 1.858 121.837 119.914 0.109 0.000 2.461 111 V HA 0.379 4.499 4.120 0.000 0.000 0.275 111 V C 0.034 176.207 176.094 0.132 0.000 1.047 111 V CA -0.055 62.324 62.300 0.132 0.000 0.955 111 V CB 0.909 32.789 31.823 0.097 0.000 0.988 111 V HN 0.867 nan 8.190 nan 0.000 0.471 112 E N 3.146 123.458 120.200 0.186 0.000 2.212 112 E HA 0.824 5.175 4.350 0.000 0.000 0.268 112 E C -0.549 176.193 176.600 0.237 0.000 0.902 112 E CA -0.682 55.850 56.400 0.220 0.000 0.779 112 E CB 2.373 32.276 29.700 0.339 0.000 1.172 112 E HN 0.819 nan 8.360 nan 0.000 0.409 113 A N 2.728 125.646 122.820 0.163 0.000 2.574 113 A HA 0.499 4.819 4.320 0.000 0.000 0.297 113 A C -1.087 176.518 177.584 0.036 0.000 1.062 113 A CA -0.742 51.378 52.037 0.138 0.000 0.686 113 A CB 0.880 19.942 19.000 0.103 0.000 1.285 113 A HN 0.553 nan 8.150 nan 0.000 0.403 114 L N 1.361 122.574 121.223 -0.016 0.000 2.439 114 L HA 0.475 4.815 4.340 0.000 0.000 0.269 114 L C 0.538 177.386 176.870 -0.036 0.000 1.179 114 L CA 0.134 54.926 54.840 -0.080 0.000 0.828 114 L CB 1.242 43.205 42.059 -0.161 0.000 1.106 114 L HN 0.733 nan 8.230 nan 0.000 0.467 115 S N 1.577 117.263 115.700 -0.023 0.000 2.632 115 S HA 0.500 4.970 4.470 0.000 0.000 0.289 115 S C -1.008 173.577 174.600 -0.025 0.000 1.115 115 S CA -0.659 57.544 58.200 0.006 0.000 0.889 115 S CB 1.996 65.245 63.200 0.081 0.000 1.116 115 S HN 0.363 nan 8.310 nan 0.000 0.486 116 L N 2.548 123.748 121.223 -0.037 0.000 2.361 116 L HA 0.481 4.821 4.340 0.000 0.000 0.278 116 L C -1.155 175.735 176.870 0.032 0.000 1.113 116 L CA 0.464 55.269 54.840 -0.059 0.000 0.849 116 L CB -0.418 41.580 42.059 -0.101 0.000 1.155 116 L HN 0.500 nan 8.230 nan 0.000 0.452 117 I N 6.591 127.137 120.570 -0.040 0.000 2.377 117 I HA 0.372 4.542 4.170 0.000 0.000 0.293 117 I C -0.986 175.142 176.117 0.018 0.000 0.987 117 I CA -0.787 60.473 61.300 -0.066 0.000 1.185 117 I CB 1.190 38.981 38.000 -0.347 0.000 1.341 117 I HN 0.630 nan 8.210 nan 0.000 0.455 118 Y N 4.180 124.565 120.300 0.143 0.000 2.504 118 Y HA 0.479 5.030 4.550 0.000 0.000 0.344 118 Y C -0.838 175.322 175.900 0.434 0.000 1.023 118 Y CA -1.409 56.877 58.100 0.310 0.000 1.020 118 Y CB 0.918 39.448 38.460 0.116 0.000 1.282 118 Y HN 0.460 nan 8.280 nan 0.000 0.454 119 N N 3.590 122.521 118.700 0.385 0.000 2.405 119 N HA 0.097 4.837 4.740 0.000 0.000 0.260 119 N C 0.292 175.866 175.510 0.106 0.000 1.152 119 N CA 0.145 53.231 53.050 0.059 0.000 0.948 119 N CB 0.993 39.399 38.487 -0.136 0.000 1.111 119 N HN 0.933 nan 8.380 nan 0.000 0.485 120 K N 2.064 122.450 120.400 -0.024 0.000 2.147 120 K HA -0.110 4.210 4.320 0.000 0.000 0.205 120 K C 0.522 177.159 176.600 0.061 0.000 1.049 120 K CA 1.143 57.469 56.287 0.065 0.000 0.936 120 K CB 0.307 32.779 32.500 -0.046 0.000 0.722 120 K HN 0.511 nan 8.250 nan 0.000 0.446 121 D N 0.956 121.361 120.400 0.009 0.000 2.103 121 D HA -0.098 4.542 4.640 0.000 0.000 0.199 121 D C 1.910 178.217 176.300 0.012 0.000 0.978 121 D CA 1.001 55.001 54.000 -0.001 0.000 0.829 121 D CB -0.149 40.635 40.800 -0.027 0.000 0.981 121 D HN 0.103 nan 8.370 nan 0.000 0.464 122 L N -0.547 120.683 121.223 0.011 0.000 2.217 122 L HA -0.002 4.338 4.340 0.000 0.000 0.211 122 L C 0.547 177.447 176.870 0.049 0.000 1.107 122 L CA 0.388 55.240 54.840 0.020 0.000 0.783 122 L CB 0.235 42.297 42.059 0.005 0.000 0.919 122 L HN -0.002 nan 8.230 nan 0.000 0.442 123 L N -0.541 120.739 121.223 0.095 0.000 2.549 123 L HA 0.346 4.686 4.340 0.000 0.000 0.260 123 L C -2.289 174.676 176.870 0.158 0.000 1.109 123 L CA -1.167 53.737 54.840 0.106 0.000 0.900 123 L CB 1.134 43.265 42.059 0.120 0.000 1.119 123 L HN -0.258 nan 8.230 nan 0.000 0.471 124 P HA 0.041 nan 4.420 nan 0.000 0.219 124 P C -0.359 176.970 177.300 0.048 0.000 1.150 124 P CA 0.956 64.122 63.100 0.109 0.000 0.814 124 P CB 0.200 31.929 31.700 0.049 0.000 0.787 125 N N 0.407 119.085 118.700 -0.037 0.000 2.558 125 N HA 0.225 4.965 4.740 0.000 0.000 0.242 125 N C -2.590 172.792 175.510 -0.214 0.000 0.979 125 N CA -1.784 51.191 53.050 -0.124 0.000 0.931 125 N CB 0.705 39.144 38.487 -0.080 0.000 1.122 125 N HN 0.085 nan 8.380 nan 0.000 0.508 126 P HA 0.224 nan 4.420 nan 0.000 0.275 126 P C -2.681 174.449 177.300 -0.285 0.000 1.228 126 P CA -1.194 61.634 63.100 -0.455 0.000 0.786 126 P CB 0.288 31.449 31.700 -0.900 0.000 0.927 127 P HA 0.142 nan 4.420 nan 0.000 0.271 127 P C 0.439 177.630 177.300 -0.181 0.000 1.216 127 P CA -0.124 62.878 63.100 -0.163 0.000 0.771 127 P CB 0.917 32.536 31.700 -0.135 0.000 0.864 128 K N 0.447 120.766 120.400 -0.135 0.000 2.365 128 K HA 0.069 4.390 4.320 0.000 0.000 0.197 128 K C 1.070 177.609 176.600 -0.102 0.000 1.042 128 K CA 0.853 57.068 56.287 -0.120 0.000 0.987 128 K CB -0.115 32.333 32.500 -0.087 0.000 0.779 128 K HN 0.653 nan 8.250 nan 0.000 0.484 129 T N -4.216 110.288 114.554 -0.084 0.000 2.907 129 T HA 0.291 4.641 4.350 0.000 0.000 0.292 129 T C 0.530 175.222 174.700 -0.013 0.000 1.043 129 T CA -0.893 61.193 62.100 -0.023 0.000 1.003 129 T CB 1.144 70.019 68.868 0.011 0.000 1.084 129 T HN 0.115 nan 8.240 nan 0.000 0.483 130 W N 0.787 122.067 121.300 -0.033 0.000 2.388 130 W HA 0.079 4.739 4.660 0.000 0.000 0.294 130 W C 2.170 178.764 176.519 0.125 0.000 1.212 130 W CA 0.920 58.256 57.345 -0.014 0.000 1.271 130 W CB -0.161 29.154 29.460 -0.242 0.000 1.126 130 W HN 0.826 nan 8.180 nan 0.000 0.535 131 E N 0.208 120.575 120.200 0.278 0.000 2.209 131 E HA -0.218 4.132 4.350 0.000 0.000 0.196 131 E C 1.635 178.399 176.600 0.273 0.000 0.993 131 E CA 1.515 58.126 56.400 0.352 0.000 0.819 131 E CB -0.345 29.462 29.700 0.177 0.000 0.745 131 E HN 0.364 nan 8.360 nan 0.000 0.477 132 E N 0.063 120.356 120.200 0.155 0.000 2.153 132 E HA -0.155 4.195 4.350 0.000 0.000 0.194 132 E C 1.920 178.558 176.600 0.062 0.000 0.988 132 E CA 0.677 57.122 56.400 0.075 0.000 0.811 132 E CB -0.108 29.600 29.700 0.013 0.000 0.746 132 E HN 0.331 nan 8.360 nan 0.000 0.466 133 I N 0.984 121.621 120.570 0.111 0.000 2.226 133 I HA -0.201 3.969 4.170 0.000 0.000 0.245 133 I C -0.818 175.256 176.117 -0.071 0.000 1.100 133 I CA 0.961 62.291 61.300 0.050 0.000 1.374 133 I CB -1.221 36.860 38.000 0.136 0.000 1.057 133 I HN 0.080 nan 8.210 nan 0.000 0.413 134 P HA -0.190 nan 4.420 nan 0.000 0.215 134 P C 1.500 178.597 177.300 -0.337 0.000 1.153 134 P CA 1.909 64.674 63.100 -0.558 0.000 0.853 134 P CB -0.023 31.480 31.700 -0.328 0.000 0.788 135 A N -0.915 121.836 122.820 -0.115 0.000 1.898 135 A HA -0.158 4.162 4.320 0.000 0.000 0.216 135 A C 2.156 179.717 177.584 -0.038 0.000 1.181 135 A CA 1.340 53.350 52.037 -0.045 0.000 0.620 135 A CB -1.649 17.348 19.000 -0.006 0.000 0.819 135 A HN 0.141 nan 8.150 nan 0.000 0.442 136 L N 0.170 121.368 121.223 -0.041 0.000 2.083 136 L HA -0.147 4.193 4.340 0.000 0.000 0.209 136 L C 1.941 178.802 176.870 -0.016 0.000 1.083 136 L CA 2.545 57.371 54.840 -0.023 0.000 0.752 136 L CB -0.533 41.513 42.059 -0.021 0.000 0.899 136 L HN 0.502 nan 8.230 nan 0.000 0.433 137 D N -0.795 119.578 120.400 -0.045 0.000 2.117 137 D HA -0.218 4.422 4.640 0.000 0.000 0.197 137 D C 2.135 178.462 176.300 0.047 0.000 0.987 137 D CA 1.415 55.418 54.000 0.005 0.000 0.829 137 D CB 0.084 40.876 40.800 -0.013 0.000 0.961 137 D HN 0.264 nan 8.370 nan 0.000 0.460 138 K N 0.121 120.541 120.400 0.034 0.000 2.044 138 K HA -0.187 4.133 4.320 0.000 0.000 0.210 138 K C 2.225 178.850 176.600 0.042 0.000 1.049 138 K CA 1.504 57.829 56.287 0.064 0.000 0.927 138 K CB -0.127 32.407 32.500 0.057 0.000 0.713 138 K HN 0.312 nan 8.250 nan 0.000 0.443 139 E N 0.727 120.942 120.200 0.025 0.000 2.058 139 E HA -0.200 4.150 4.350 0.000 0.000 0.194 139 E C 2.106 178.719 176.600 0.023 0.000 0.997 139 E CA 1.174 57.586 56.400 0.020 0.000 0.801 139 E CB -0.149 29.558 29.700 0.012 0.000 0.746 139 E HN 0.232 nan 8.360 nan 0.000 0.450 140 L N 0.879 122.118 121.223 0.027 0.000 2.141 140 L HA -0.156 4.184 4.340 0.000 0.000 0.209 140 L C 2.393 179.283 176.870 0.033 0.000 1.094 140 L CA 0.766 55.623 54.840 0.029 0.000 0.763 140 L CB -0.231 41.849 42.059 0.035 0.000 0.908 140 L HN -0.003 nan 8.230 nan 0.000 0.437 141 K N 0.250 120.676 120.400 0.044 0.000 2.097 141 K HA -0.114 4.206 4.320 0.000 0.000 0.206 141 K C 2.198 178.816 176.600 0.030 0.000 1.049 141 K CA 1.430 57.743 56.287 0.044 0.000 0.933 141 K CB -0.451 32.086 32.500 0.060 0.000 0.717 141 K HN 0.284 nan 8.250 nan 0.000 0.442 142 A N 2.316 125.153 122.820 0.028 0.000 1.940 142 A HA -0.193 4.127 4.320 0.000 0.000 0.219 142 A C 1.575 179.167 177.584 0.015 0.000 1.176 142 A CA 1.783 53.832 52.037 0.020 0.000 0.631 142 A CB -0.347 18.664 19.000 0.018 0.000 0.814 142 A HN 0.465 nan 8.150 nan 0.000 0.446 143 K N -1.584 118.825 120.400 0.015 0.000 2.681 143 K HA 0.442 4.763 4.320 0.000 0.000 0.211 143 K C 0.600 177.206 176.600 0.009 0.000 1.075 143 K CA 0.202 56.495 56.287 0.010 0.000 1.141 143 K CB -0.452 32.053 32.500 0.008 0.000 0.896 143 K HN 0.719 nan 8.250 nan 0.000 0.470 144 G N 1.517 110.324 108.800 0.012 0.000 2.221 144 G HA2 -0.240 3.720 3.960 0.000 0.000 0.265 144 G HA3 -0.240 3.720 3.960 0.000 0.000 0.265 144 G C -0.480 174.427 174.900 0.012 0.000 1.041 144 G CA 0.174 45.280 45.100 0.011 0.000 0.807 144 G HN 0.340 nan 8.290 nan 0.000 0.502 145 K N -0.624 119.788 120.400 0.019 0.000 2.439 145 K HA 0.802 5.122 4.320 0.000 0.000 0.260 145 K C 0.077 176.701 176.600 0.040 0.000 1.032 145 K CA -0.071 56.230 56.287 0.023 0.000 0.882 145 K CB 1.809 34.320 32.500 0.017 0.000 1.420 145 K HN 0.626 nan 8.250 nan 0.000 0.455 146 S N -1.356 114.374 115.700 0.051 0.000 2.600 146 S HA 0.650 5.120 4.470 0.000 0.000 0.300 146 S C 0.649 175.299 174.600 0.083 0.000 1.087 146 S CA -0.363 57.880 58.200 0.072 0.000 0.965 146 S CB 1.899 65.146 63.200 0.078 0.000 1.089 146 S HN 0.590 nan 8.310 nan 0.000 0.496 147 A N 0.690 123.564 122.820 0.090 0.000 1.855 147 A HA 0.430 4.750 4.320 0.000 0.000 0.213 147 A C 0.510 178.164 177.584 0.116 0.000 1.195 147 A CA 0.985 53.072 52.037 0.083 0.000 0.610 147 A CB -0.582 18.451 19.000 0.055 0.000 0.837 147 A HN 0.942 nan 8.150 nan 0.000 0.444 148 L N -0.960 120.349 121.223 0.144 0.000 2.464 148 L HA 0.695 5.035 4.340 0.000 0.000 0.266 148 L C -1.207 175.796 176.870 0.222 0.000 0.965 148 L CA -0.143 54.812 54.840 0.192 0.000 0.833 148 L CB 1.818 44.001 42.059 0.208 0.000 1.296 148 L HN 0.347 nan 8.230 nan 0.000 0.405 149 M N 6.189 125.931 119.600 0.236 0.000 2.267 149 M HA 0.593 5.073 4.480 0.000 0.000 0.289 149 M C -1.501 174.944 176.300 0.242 0.000 1.043 149 M CA -0.441 54.960 55.300 0.168 0.000 0.928 149 M CB 1.997 34.656 32.600 0.098 0.000 1.613 149 M HN 0.609 nan 8.290 nan 0.000 0.450 150 F N 0.328 120.278 119.950 0.000 0.000 2.711 150 F HA 0.565 5.092 4.527 0.000 0.000 0.313 150 F C -0.828 174.898 175.800 -0.124 0.000 1.141 150 F CA -1.329 56.629 58.000 -0.071 0.000 0.941 150 F CB 0.827 39.847 39.000 0.033 0.000 1.349 150 F HN 0.435 nan 8.300 nan 0.000 0.464 151 N N 1.674 120.231 118.700 -0.237 0.000 2.427 151 N HA 0.160 4.900 4.740 0.000 0.000 0.269 151 N C 0.080 175.461 175.510 -0.214 0.000 1.235 151 N CA 0.103 52.926 53.050 -0.378 0.000 0.934 151 N CB 0.345 38.349 38.487 -0.805 0.000 1.121 151 N HN 0.782 nan 8.380 nan 0.000 0.480 152 L N 2.165 123.253 121.223 -0.225 0.000 2.607 152 L HA 0.126 4.466 4.340 0.000 0.000 0.228 152 L C 1.331 178.199 176.870 -0.004 0.000 1.123 152 L CA 0.042 54.800 54.840 -0.136 0.000 0.890 152 L CB 0.095 42.020 42.059 -0.224 0.000 1.103 152 L HN 0.429 nan 8.230 nan 0.000 0.468 153 Q N -0.174 119.634 119.800 0.013 0.000 2.402 153 Q HA 0.154 4.494 4.340 0.000 0.000 0.206 153 Q C 0.222 176.289 176.000 0.111 0.000 0.919 153 Q CA 0.630 56.460 55.803 0.045 0.000 0.923 153 Q CB 0.624 29.378 28.738 0.026 0.000 1.048 153 Q HN 0.309 nan 8.270 nan 0.000 0.515 154 E N 1.328 121.655 120.200 0.211 0.000 2.165 154 E HA 0.185 4.535 4.350 0.000 0.000 0.266 154 E C -1.840 175.017 176.600 0.429 0.000 0.889 154 E CA -2.027 54.556 56.400 0.306 0.000 0.756 154 E CB 2.083 32.032 29.700 0.415 0.000 1.131 154 E HN -0.117 nan 8.360 nan 0.000 0.411 155 P HA -0.189 nan 4.420 nan 0.000 0.222 155 P C 1.366 179.037 177.300 0.619 0.000 1.147 155 P CA 0.875 64.252 63.100 0.463 0.000 0.790 155 P CB 0.155 32.135 31.700 0.467 0.000 0.780 156 Y N 0.575 121.030 120.300 0.258 0.000 2.139 156 Y HA -0.251 4.299 4.550 0.000 0.000 0.282 156 Y C 1.989 178.030 175.900 0.235 0.000 1.179 156 Y CA 1.806 59.993 58.100 0.144 0.000 1.161 156 Y CB -1.135 37.182 38.460 -0.239 0.000 0.970 156 Y HN -0.193 nan 8.280 nan 0.000 0.511 157 F N -1.058 119.131 119.950 0.400 0.000 2.416 157 F HA -0.054 4.473 4.527 0.000 0.000 0.296 157 F C 2.511 178.538 175.800 0.378 0.000 1.099 157 F CA 1.428 59.640 58.000 0.353 0.000 1.427 157 F CB -0.710 38.615 39.000 0.541 0.000 1.079 157 F HN 0.090 nan 8.300 nan 0.000 0.536 158 T N -3.489 111.424 114.554 0.598 0.000 3.051 158 T HA -0.151 4.199 4.350 0.000 0.000 0.255 158 T C 1.888 176.758 174.700 0.284 0.000 1.085 158 T CA 0.039 62.405 62.100 0.444 0.000 1.109 158 T CB -0.745 68.343 68.868 0.365 0.000 0.921 158 T HN 0.505 nan 8.240 nan 0.000 0.488 159 W N 2.984 124.397 121.300 0.189 0.000 2.342 159 W HA -0.066 4.594 4.660 0.000 0.000 0.297 159 W C -1.700 174.818 176.519 -0.002 0.000 1.213 159 W CA 1.038 58.462 57.345 0.132 0.000 1.251 159 W CB -1.031 28.611 29.460 0.303 0.000 1.136 159 W HN 0.292 nan 8.180 nan 0.000 0.526 160 P HA -0.220 nan 4.420 nan 0.000 0.216 160 P C 1.793 178.954 177.300 -0.232 0.000 1.150 160 P CA 1.560 64.576 63.100 -0.139 0.000 0.837 160 P CB -0.444 31.254 31.700 -0.003 0.000 0.786 161 L N -0.802 120.265 121.223 -0.260 0.000 2.044 161 L HA -0.069 4.272 4.340 0.000 0.000 0.205 161 L C 2.217 178.753 176.870 -0.557 0.000 1.075 161 L CA 1.622 56.145 54.840 -0.528 0.000 0.747 161 L CB -1.273 40.280 42.059 -0.843 0.000 0.903 161 L HN -0.137 nan 8.230 nan 0.000 0.435 162 I N -0.252 120.010 120.570 -0.514 0.000 2.208 162 I HA -0.298 3.872 4.170 0.000 0.000 0.245 162 I C 2.472 178.186 176.117 -0.673 0.000 1.097 162 I CA 1.292 62.263 61.300 -0.548 0.000 1.363 162 I CB -0.579 37.116 38.000 -0.508 0.000 1.051 162 I HN 0.351 nan 8.210 nan 0.000 0.413 163 A N 0.524 122.773 122.820 -0.952 0.000 2.066 163 A HA -0.011 4.309 4.320 0.000 0.000 0.218 163 A C 2.529 179.918 177.584 -0.326 0.000 1.157 163 A CA 1.303 52.885 52.037 -0.759 0.000 0.670 163 A CB -0.597 17.853 19.000 -0.918 0.000 0.804 163 A HN 0.416 nan 8.150 nan 0.000 0.453 164 A N 0.265 122.939 122.820 -0.245 0.000 1.884 164 A HA -0.267 4.053 4.320 0.000 0.000 0.219 164 A C 1.800 179.382 177.584 -0.003 0.000 1.197 164 A CA 2.247 54.246 52.037 -0.064 0.000 0.637 164 A CB -0.604 18.421 19.000 0.041 0.000 0.827 164 A HN 0.463 nan 8.150 nan 0.000 0.450 165 D N -2.772 117.654 120.400 0.044 0.000 2.328 165 D HA 0.327 4.967 4.640 0.000 0.000 0.221 165 D C 0.901 177.205 176.300 0.006 0.000 1.072 165 D CA 1.124 55.142 54.000 0.031 0.000 0.850 165 D CB 0.105 40.956 40.800 0.086 0.000 0.922 165 D HN 0.536 nan 8.370 nan 0.000 0.516 166 G N -1.255 107.538 108.800 -0.011 0.000 2.559 166 G HA2 -0.031 3.929 3.960 0.000 0.000 0.202 166 G HA3 -0.031 3.929 3.960 0.000 0.000 0.202 166 G C 0.653 175.592 174.900 0.064 0.000 0.992 166 G CA -0.254 44.872 45.100 0.044 0.000 0.764 166 G HN 0.470 nan 8.290 nan 0.000 0.525 167 G N 0.344 109.089 108.800 -0.092 0.000 2.441 167 G HA2 0.639 4.599 3.960 0.000 0.000 0.243 167 G HA3 0.639 4.599 3.960 0.000 0.000 0.243 167 G C -0.244 174.684 174.900 0.045 0.000 1.281 167 G CA 0.582 45.574 45.100 -0.180 0.000 0.854 167 G HN 1.467 nan 8.290 nan 0.000 0.560 168 Y N -1.616 118.807 120.300 0.205 0.000 2.638 168 Y HA 0.722 5.272 4.550 0.000 0.000 0.335 168 Y C 0.627 176.734 175.900 0.345 0.000 1.155 168 Y CA -0.773 57.544 58.100 0.361 0.000 1.046 168 Y CB 0.825 39.400 38.460 0.191 0.000 1.303 168 Y HN 0.660 nan 8.280 nan 0.000 0.460 169 A N 1.121 124.095 122.820 0.257 0.000 1.849 169 A HA 0.439 4.759 4.320 0.000 0.000 0.214 169 A C -0.458 176.728 177.584 -0.664 0.000 1.269 169 A CA 0.982 52.617 52.037 -0.670 0.000 0.605 169 A CB -0.367 17.932 19.000 -1.168 0.000 0.937 169 A HN 0.561 nan 8.150 nan 0.000 0.461 170 F N -1.370 118.667 119.950 0.146 0.000 2.565 170 F HA 0.545 5.072 4.527 0.000 0.000 0.313 170 F C -0.117 175.966 175.800 0.471 0.000 1.091 170 F CA -1.107 57.067 58.000 0.290 0.000 0.915 170 F CB 1.779 40.840 39.000 0.102 0.000 1.208 170 F HN -0.044 nan 8.300 nan 0.000 0.453 171 K N 2.097 122.828 120.400 0.552 0.000 2.349 171 K HA 0.131 4.451 4.320 0.000 0.000 0.289 171 K C -1.420 175.310 176.600 0.217 0.000 1.064 171 K CA -0.011 56.408 56.287 0.220 0.000 0.947 171 K CB -0.186 32.395 32.500 0.136 0.000 1.007 171 K HN 0.549 nan 8.250 nan 0.000 0.478 172 Y N 3.494 123.783 120.300 -0.019 0.000 2.486 172 Y HA 0.213 4.763 4.550 0.000 0.000 0.348 172 Y C -0.401 175.401 175.900 -0.163 0.000 1.000 172 Y CA 0.254 58.189 58.100 -0.276 0.000 1.253 172 Y CB 0.441 38.636 38.460 -0.442 0.000 1.140 172 Y HN 0.683 nan 8.280 nan 0.000 0.526 173 E N 4.590 124.521 120.200 -0.448 0.000 2.304 173 E HA 0.237 4.588 4.350 0.000 0.000 0.277 173 E C -0.855 175.545 176.600 -0.333 0.000 0.898 173 E CA -0.697 55.547 56.400 -0.260 0.000 0.764 173 E CB 0.785 30.414 29.700 -0.118 0.000 1.216 173 E HN 0.716 nan 8.360 nan 0.000 0.419 174 N N 2.461 121.029 118.700 -0.220 0.000 2.727 174 N HA -0.224 4.516 4.740 0.000 0.000 0.249 174 N C 0.472 175.835 175.510 -0.245 0.000 1.048 174 N CA 1.503 54.448 53.050 -0.175 0.000 0.714 174 N CB -1.362 37.052 38.487 -0.122 0.000 0.959 174 N HN 0.973 nan 8.380 nan 0.000 0.544 175 G N -1.052 107.537 108.800 -0.353 0.000 2.155 175 G HA2 -0.366 3.594 3.960 0.000 0.000 0.257 175 G HA3 -0.366 3.594 3.960 0.000 0.000 0.257 175 G C 0.027 174.622 174.900 -0.508 0.000 0.983 175 G CA 1.362 46.275 45.100 -0.312 0.000 0.676 175 G HN 0.965 nan 8.290 nan 0.000 0.528 176 K N -1.801 118.096 120.400 -0.838 0.000 2.555 176 K HA 0.687 5.007 4.320 0.000 0.000 0.279 176 K C -0.952 175.234 176.600 -0.690 0.000 0.986 176 K CA -1.400 54.526 56.287 -0.600 0.000 0.880 176 K CB 1.074 33.434 32.500 -0.234 0.000 1.474 176 K HN -0.006 nan 8.250 nan 0.000 0.433 177 Y N 0.865 121.061 120.300 -0.174 0.000 2.316 177 Y HA 0.159 4.709 4.550 0.000 0.000 0.331 177 Y C -0.087 175.786 175.900 -0.045 0.000 1.083 177 Y CA 0.027 58.113 58.100 -0.023 0.000 1.206 177 Y CB 1.107 39.605 38.460 0.063 0.000 1.195 177 Y HN 0.635 nan 8.280 nan 0.000 0.497 178 D N 4.396 124.904 120.400 0.180 0.000 2.365 178 D HA 0.077 4.717 4.640 0.000 0.000 0.237 178 D C 0.941 177.370 176.300 0.215 0.000 1.190 178 D CA -0.214 53.871 54.000 0.142 0.000 0.867 178 D CB 0.459 41.338 40.800 0.132 0.000 1.050 178 D HN 0.620 nan 8.370 nan 0.000 0.491 179 I N 0.760 121.373 120.570 0.071 0.000 3.001 179 I HA -0.017 4.153 4.170 0.000 0.000 0.268 179 I C 1.049 177.303 176.117 0.228 0.000 1.267 179 I CA 0.406 61.686 61.300 -0.034 0.000 1.472 179 I CB 0.089 37.972 38.000 -0.195 0.000 1.089 179 I HN 0.007 nan 8.210 nan 0.000 0.468 180 K N 0.639 121.164 120.400 0.208 0.000 2.352 180 K HA 0.116 4.436 4.320 0.000 0.000 0.194 180 K C 0.144 176.883 176.600 0.233 0.000 1.038 180 K CA 0.286 56.694 56.287 0.202 0.000 1.023 180 K CB -0.104 32.474 32.500 0.129 0.000 0.840 180 K HN 0.271 nan 8.250 nan 0.000 0.519 181 D N 1.959 122.529 120.400 0.283 0.000 2.468 181 D HA 0.096 4.736 4.640 0.000 0.000 0.218 181 D C -0.963 175.550 176.300 0.354 0.000 1.155 181 D CA -0.211 53.966 54.000 0.294 0.000 0.924 181 D CB 0.276 41.248 40.800 0.287 0.000 1.029 181 D HN -0.278 nan 8.370 nan 0.000 0.515 182 V N 2.433 122.451 119.914 0.172 0.000 2.435 182 V HA 0.551 4.671 4.120 0.000 0.000 0.290 182 V C 1.339 177.273 176.094 -0.267 0.000 1.030 182 V CA -0.888 61.370 62.300 -0.071 0.000 0.881 182 V CB 1.853 33.611 31.823 -0.107 0.000 0.983 182 V HN 0.544 nan 8.190 nan 0.000 0.445 183 G N 2.184 110.503 108.800 -0.800 0.000 3.814 183 G HA2 0.294 4.254 3.960 0.000 0.000 0.293 183 G HA3 0.294 4.254 3.960 0.000 0.000 0.293 183 G C 0.820 175.422 174.900 -0.497 0.000 1.243 183 G CA 0.491 44.782 45.100 -1.348 0.000 1.053 183 G HN 0.824 nan 8.290 nan 0.000 0.562 184 V N -2.225 117.587 119.914 -0.170 0.000 3.354 184 V HA 0.115 4.235 4.120 0.000 0.000 0.258 184 V C 1.175 177.260 176.094 -0.015 0.000 1.159 184 V CA 1.230 63.552 62.300 0.037 0.000 1.125 184 V CB 0.327 32.211 31.823 0.103 0.000 0.774 184 V HN 0.339 nan 8.190 nan 0.000 0.464 185 D N 1.063 121.432 120.400 -0.052 0.000 2.538 185 D HA 0.091 4.731 4.640 0.000 0.000 0.231 185 D C 0.234 176.522 176.300 -0.020 0.000 1.229 185 D CA -0.281 53.707 54.000 -0.020 0.000 0.828 185 D CB -0.529 40.272 40.800 0.001 0.000 1.035 185 D HN 0.665 nan 8.370 nan 0.000 0.495 186 N N -0.029 118.645 118.700 -0.044 0.000 2.447 186 N HA 0.359 5.100 4.740 0.000 0.000 0.271 186 N C 1.238 176.747 175.510 -0.001 0.000 1.226 186 N CA -0.180 52.863 53.050 -0.010 0.000 0.980 186 N CB 0.807 39.296 38.487 0.004 0.000 1.206 186 N HN -0.117 nan 8.380 nan 0.000 0.558 187 A N -0.185 122.646 122.820 0.018 0.000 1.978 187 A HA -0.009 4.311 4.320 0.000 0.000 0.220 187 A C 1.966 179.563 177.584 0.023 0.000 1.170 187 A CA 1.841 53.891 52.037 0.021 0.000 0.636 187 A CB -1.625 17.389 19.000 0.024 0.000 0.810 187 A HN 0.819 nan 8.150 nan 0.000 0.448 188 G N -0.733 108.077 108.800 0.017 0.000 2.402 188 G HA2 0.068 4.028 3.960 0.000 0.000 0.216 188 G HA3 0.068 4.028 3.960 0.000 0.000 0.216 188 G C 1.710 176.600 174.900 -0.017 0.000 1.162 188 G CA 1.257 46.367 45.100 0.017 0.000 0.777 188 G HN 0.754 nan 8.290 nan 0.000 0.539 189 A N 0.928 123.711 122.820 -0.061 0.000 1.898 189 A HA 0.062 4.382 4.320 0.000 0.000 0.216 189 A C 2.293 179.836 177.584 -0.067 0.000 1.181 189 A CA 1.814 53.784 52.037 -0.113 0.000 0.620 189 A CB -0.317 18.623 19.000 -0.100 0.000 0.819 189 A HN 0.345 nan 8.150 nan 0.000 0.442 190 K N -0.134 120.253 120.400 -0.022 0.000 2.032 190 K HA -0.123 4.197 4.320 0.000 0.000 0.209 190 K C 2.330 178.943 176.600 0.021 0.000 1.048 190 K CA 1.238 57.525 56.287 -0.001 0.000 0.927 190 K CB -0.386 32.122 32.500 0.014 0.000 0.712 190 K HN 0.434 nan 8.250 nan 0.000 0.441 191 A N 1.349 124.209 122.820 0.066 0.000 1.883 191 A HA -0.130 4.190 4.320 0.000 0.000 0.217 191 A C 2.460 180.126 177.584 0.137 0.000 1.186 191 A CA 2.075 54.219 52.037 0.179 0.000 0.624 191 A CB -1.307 17.844 19.000 0.252 0.000 0.822 191 A HN 0.450 nan 8.150 nan 0.000 0.444 192 G N -0.454 108.305 108.800 -0.067 0.000 2.421 192 G HA2 -0.134 3.826 3.960 0.000 0.000 0.216 192 G HA3 -0.134 3.826 3.960 0.000 0.000 0.216 192 G C 1.491 176.173 174.900 -0.363 0.000 1.171 192 G CA 1.248 46.037 45.100 -0.518 0.000 0.775 192 G HN 0.469 nan 8.290 nan 0.000 0.543 193 L N 0.833 121.951 121.223 -0.176 0.000 2.072 193 L HA 0.078 4.418 4.340 0.000 0.000 0.205 193 L C 2.928 179.761 176.870 -0.061 0.000 1.079 193 L CA 2.309 57.086 54.840 -0.105 0.000 0.752 193 L CB -0.975 41.053 42.059 -0.053 0.000 0.906 193 L HN 0.175 nan 8.230 nan 0.000 0.436 194 T N -0.442 114.100 114.554 -0.020 0.000 2.699 194 T HA -0.268 4.082 4.350 0.000 0.000 0.268 194 T C 1.660 176.376 174.700 0.026 0.000 1.036 194 T CA 2.109 64.219 62.100 0.018 0.000 1.147 194 T CB -0.586 68.320 68.868 0.063 0.000 0.862 194 T HN 0.370 nan 8.240 nan 0.000 0.446 195 F N 1.271 121.150 119.950 -0.118 0.000 2.102 195 F HA -0.054 4.473 4.527 0.000 0.000 0.298 195 F C 2.020 177.740 175.800 -0.134 0.000 1.105 195 F CA 0.859 58.785 58.000 -0.124 0.000 1.239 195 F CB -0.482 38.330 39.000 -0.313 0.000 0.991 195 F HN 0.036 nan 8.300 nan 0.000 0.474 196 L N -0.038 121.145 121.223 -0.067 0.000 2.012 196 L HA -0.179 4.161 4.340 0.000 0.000 0.210 196 L C 2.226 179.049 176.870 -0.080 0.000 1.073 196 L CA 1.751 56.546 54.840 -0.075 0.000 0.748 196 L CB -1.021 40.995 42.059 -0.071 0.000 0.891 196 L HN 0.055 nan 8.230 nan 0.000 0.431 197 V N -0.107 119.763 119.914 -0.072 0.000 2.407 197 V HA -0.271 3.850 4.120 0.000 0.000 0.248 197 V C 2.230 178.275 176.094 -0.080 0.000 1.055 197 V CA 1.832 64.095 62.300 -0.062 0.000 1.049 197 V CB -0.879 30.918 31.823 -0.043 0.000 0.662 197 V HN 0.462 nan 8.190 nan 0.000 0.455 198 D N 0.167 120.497 120.400 -0.117 0.000 2.144 198 D HA -0.101 4.539 4.640 0.000 0.000 0.200 198 D C 2.168 178.390 176.300 -0.130 0.000 0.978 198 D CA 1.030 54.950 54.000 -0.133 0.000 0.833 198 D CB -0.259 40.436 40.800 -0.176 0.000 0.961 198 D HN 0.336 nan 8.370 nan 0.000 0.470 199 L N 0.418 121.542 121.223 -0.165 0.000 2.081 199 L HA -0.181 4.160 4.340 0.000 0.000 0.212 199 L C 2.426 179.286 176.870 -0.016 0.000 1.080 199 L CA 0.899 55.727 54.840 -0.019 0.000 0.754 199 L CB -0.341 41.733 42.059 0.024 0.000 0.893 199 L HN 0.053 nan 8.230 nan 0.000 0.433 200 I N -0.778 119.762 120.570 -0.051 0.000 2.333 200 I HA -0.226 3.944 4.170 0.000 0.000 0.246 200 I C 2.543 178.609 176.117 -0.084 0.000 1.106 200 I CA 1.003 62.267 61.300 -0.060 0.000 1.411 200 I CB -0.282 37.685 38.000 -0.055 0.000 1.082 200 I HN 0.148 nan 8.210 nan 0.000 0.420 201 K N 1.160 121.510 120.400 -0.083 0.000 2.044 201 K HA -0.191 4.129 4.320 0.000 0.000 0.210 201 K C 1.293 177.820 176.600 -0.121 0.000 1.049 201 K CA 1.991 58.228 56.287 -0.084 0.000 0.927 201 K CB -0.365 32.094 32.500 -0.068 0.000 0.713 201 K HN 0.417 nan 8.250 nan 0.000 0.443 202 N N 0.602 119.199 118.700 -0.171 0.000 2.370 202 N HA 0.018 4.758 4.740 0.000 0.000 0.198 202 N C -0.748 174.442 175.510 -0.534 0.000 1.156 202 N CA 0.047 52.913 53.050 -0.306 0.000 0.839 202 N CB 0.304 38.624 38.487 -0.279 0.000 0.989 202 N HN 0.072 nan 8.380 nan 0.000 0.468 203 K N -0.309 119.898 120.400 -0.322 0.000 3.129 203 K HA -0.227 4.093 4.320 0.000 0.000 0.273 203 K C -0.381 176.081 176.600 -0.231 0.000 1.123 203 K CA 0.426 56.574 56.287 -0.231 0.000 0.800 203 K CB -1.598 30.798 32.500 -0.172 0.000 1.238 203 K HN 0.530 nan 8.250 nan 0.000 0.492 204 H N -0.923 118.144 119.070 -0.006 0.000 2.525 204 H HA 0.234 4.790 4.556 0.000 0.000 0.275 204 H C 0.911 176.256 175.328 0.028 0.000 0.984 204 H CA 0.706 56.765 56.048 0.018 0.000 1.264 204 H CB 0.269 30.047 29.762 0.026 0.000 1.432 204 H HN 0.274 nan 8.280 nan 0.000 0.549 205 M N 0.046 119.699 119.600 0.087 0.000 2.593 205 M HA 0.228 4.708 4.480 0.000 0.000 0.290 205 M C -0.564 175.723 176.300 -0.022 0.000 1.244 205 M CA -0.541 54.779 55.300 0.033 0.000 0.857 205 M CB 3.435 36.052 32.600 0.028 0.000 1.738 205 M HN -0.061 nan 8.290 nan 0.000 0.461 206 N N 0.276 118.950 118.700 -0.044 0.000 2.372 206 N HA 0.459 5.199 4.740 0.000 0.000 0.291 206 N C 0.128 175.595 175.510 -0.072 0.000 1.024 206 N CA 0.098 53.117 53.050 -0.052 0.000 0.873 206 N CB 2.109 40.572 38.487 -0.040 0.000 1.206 206 N HN 0.820 nan 8.380 nan 0.000 0.486 207 A N 2.969 125.752 122.820 -0.062 0.000 1.972 207 A HA -0.139 4.181 4.320 0.000 0.000 0.219 207 A C 1.138 178.685 177.584 -0.062 0.000 1.169 207 A CA 1.368 53.367 52.037 -0.064 0.000 0.635 207 A CB -0.135 18.836 19.000 -0.048 0.000 0.810 207 A HN 0.765 nan 8.150 nan 0.000 0.446 208 D N -0.103 120.266 120.400 -0.051 0.000 2.363 208 D HA 0.027 4.667 4.640 0.000 0.000 0.226 208 D C 0.120 176.390 176.300 -0.049 0.000 1.020 208 D CA 0.470 54.445 54.000 -0.042 0.000 0.892 208 D CB -0.392 40.390 40.800 -0.030 0.000 0.900 208 D HN 0.233 nan 8.370 nan 0.000 0.531 209 T N 2.466 116.975 114.554 -0.075 0.000 2.867 209 T HA 0.147 4.497 4.350 0.000 0.000 0.297 209 T C 0.271 174.912 174.700 -0.099 0.000 0.989 209 T CA -0.128 61.919 62.100 -0.089 0.000 1.159 209 T CB 0.807 69.599 68.868 -0.127 0.000 0.928 209 T HN 0.216 nan 8.240 nan 0.000 0.538 210 D N 1.475 121.836 120.400 -0.064 0.000 2.689 210 D HA 0.153 4.793 4.640 0.000 0.000 0.255 210 D C 0.983 177.260 176.300 -0.038 0.000 1.113 210 D CA -0.983 52.993 54.000 -0.040 0.000 1.115 210 D CB 0.108 40.915 40.800 0.011 0.000 1.334 210 D HN 0.334 nan 8.370 nan 0.000 0.621 211 Y N 0.426 120.660 120.300 -0.110 0.000 2.128 211 Y HA -0.222 4.328 4.550 0.000 0.000 0.284 211 Y C 2.584 178.471 175.900 -0.021 0.000 1.154 211 Y CA 3.264 61.306 58.100 -0.097 0.000 1.149 211 Y CB -0.252 38.179 38.460 -0.047 0.000 0.976 211 Y HN 0.452 nan 8.280 nan 0.000 0.505 212 S N -0.395 115.426 115.700 0.203 0.000 2.371 212 S HA -0.179 4.291 4.470 0.000 0.000 0.224 212 S C 2.028 176.653 174.600 0.042 0.000 1.029 212 S CA 1.407 59.695 58.200 0.147 0.000 0.978 212 S CB -1.017 62.267 63.200 0.140 0.000 0.833 212 S HN 0.515 nan 8.310 nan 0.000 0.466 213 I N 2.443 123.023 120.570 0.018 0.000 2.142 213 I HA -0.162 4.008 4.170 0.000 0.000 0.240 213 I C 3.137 179.244 176.117 -0.016 0.000 1.078 213 I CA 1.264 62.564 61.300 -0.000 0.000 1.343 213 I CB -0.712 37.282 38.000 -0.010 0.000 1.046 213 I HN 0.441 nan 8.210 nan 0.000 0.405 214 A N 0.147 122.932 122.820 -0.059 0.000 1.908 214 A HA -0.284 4.036 4.320 0.000 0.000 0.218 214 A C 2.304 179.860 177.584 -0.047 0.000 1.181 214 A CA 2.078 54.079 52.037 -0.060 0.000 0.627 214 A CB -0.677 18.250 19.000 -0.120 0.000 0.818 214 A HN 0.528 nan 8.150 nan 0.000 0.445 215 E N -0.191 119.936 120.200 -0.122 0.000 2.028 215 E HA -0.110 4.240 4.350 0.000 0.000 0.191 215 E C 2.178 178.800 176.600 0.036 0.000 0.988 215 E CA 1.055 57.408 56.400 -0.079 0.000 0.799 215 E CB -0.295 29.335 29.700 -0.115 0.000 0.755 215 E HN 0.505 nan 8.360 nan 0.000 0.447 216 A N 1.220 124.059 122.820 0.032 0.000 1.940 216 A HA -0.161 4.159 4.320 0.000 0.000 0.219 216 A C 2.371 179.981 177.584 0.043 0.000 1.176 216 A CA 1.989 54.050 52.037 0.041 0.000 0.631 216 A CB -0.808 18.212 19.000 0.034 0.000 0.814 216 A HN 0.442 nan 8.150 nan 0.000 0.446 217 A N -1.200 121.651 122.820 0.051 0.000 1.858 217 A HA -0.024 4.296 4.320 0.000 0.000 0.216 217 A C 2.087 179.716 177.584 0.076 0.000 1.190 217 A CA 1.608 53.678 52.037 0.057 0.000 0.617 217 A CB -0.764 18.274 19.000 0.064 0.000 0.827 217 A HN 0.645 nan 8.150 nan 0.000 0.443 218 F N 1.376 121.312 119.950 -0.024 0.000 2.102 218 F HA -0.170 4.357 4.527 0.000 0.000 0.298 218 F C 1.859 177.638 175.800 -0.036 0.000 1.105 218 F CA 2.051 60.035 58.000 -0.026 0.000 1.239 218 F CB -0.213 38.762 39.000 -0.042 0.000 0.991 218 F HN 0.212 nan 8.300 nan 0.000 0.474 219 N N 0.426 119.189 118.700 0.105 0.000 2.453 219 N HA -0.109 4.631 4.740 0.000 0.000 0.183 219 N C 1.311 176.790 175.510 -0.052 0.000 1.041 219 N CA 1.011 54.071 53.050 0.016 0.000 0.900 219 N CB -0.283 38.245 38.487 0.067 0.000 0.961 219 N HN 0.385 nan 8.380 nan 0.000 0.443 220 K N -0.715 119.656 120.400 -0.048 0.000 2.393 220 K HA 0.179 4.499 4.320 0.000 0.000 0.193 220 K C 0.663 177.210 176.600 -0.089 0.000 1.026 220 K CA 0.372 56.629 56.287 -0.051 0.000 1.064 220 K CB 0.464 32.952 32.500 -0.021 0.000 0.833 220 K HN 0.158 nan 8.250 nan 0.000 0.521 221 G N 1.956 110.659 108.800 -0.163 0.000 2.137 221 G HA2 -0.279 3.681 3.960 0.000 0.000 0.237 221 G HA3 -0.279 3.681 3.960 0.000 0.000 0.237 221 G C 0.380 175.211 174.900 -0.114 0.000 1.002 221 G CA 0.389 45.374 45.100 -0.192 0.000 0.702 221 G HN 0.435 nan 8.290 nan 0.000 0.515 222 E N -0.850 119.307 120.200 -0.071 0.000 2.318 222 E HA 0.135 4.485 4.350 0.000 0.000 0.193 222 E C 1.079 177.682 176.600 0.004 0.000 0.998 222 E CA 1.010 57.397 56.400 -0.023 0.000 0.859 222 E CB 0.421 30.120 29.700 -0.002 0.000 0.812 222 E HN 0.332 nan 8.360 nan 0.000 0.492 223 T N -1.265 113.299 114.554 0.016 0.000 2.876 223 T HA 0.477 4.827 4.350 0.000 0.000 0.289 223 T C 0.339 175.102 174.700 0.106 0.000 1.014 223 T CA -0.246 61.907 62.100 0.088 0.000 0.986 223 T CB 1.689 70.651 68.868 0.156 0.000 1.021 223 T HN -0.007 nan 8.240 nan 0.000 0.458 224 A N 4.381 127.281 122.820 0.134 0.000 2.016 224 A HA 0.397 4.717 4.320 0.000 0.000 0.217 224 A C 0.809 178.610 177.584 0.363 0.000 1.162 224 A CA 0.816 52.948 52.037 0.158 0.000 0.662 224 A CB -0.178 18.891 19.000 0.116 0.000 0.812 224 A HN 0.740 nan 8.150 nan 0.000 0.450 225 M N -2.192 117.633 119.600 0.375 0.000 2.593 225 M HA 0.486 4.966 4.480 0.000 0.000 0.290 225 M C -0.641 175.765 176.300 0.178 0.000 1.244 225 M CA -0.273 55.217 55.300 0.316 0.000 0.857 225 M CB 2.532 35.209 32.600 0.129 0.000 1.738 225 M HN 0.058 nan 8.290 nan 0.000 0.461 226 T N 0.888 115.357 114.554 -0.143 0.000 2.816 226 T HA 0.770 5.120 4.350 0.000 0.000 0.299 226 T C -1.952 172.646 174.700 -0.171 0.000 1.230 226 T CA -0.553 61.456 62.100 -0.151 0.000 1.007 226 T CB 1.471 70.141 68.868 -0.331 0.000 1.289 226 T HN 0.575 nan 8.240 nan 0.000 0.508 227 I N 3.626 124.158 120.570 -0.064 0.000 2.410 227 I HA 0.536 4.706 4.170 0.000 0.000 0.286 227 I C -0.172 176.037 176.117 0.152 0.000 1.009 227 I CA -0.689 60.575 61.300 -0.060 0.000 1.111 227 I CB 1.518 39.359 38.000 -0.265 0.000 1.262 227 I HN 0.484 nan 8.210 nan 0.000 0.443 228 N N 3.055 121.794 118.700 0.064 0.000 3.106 228 N HA 0.534 5.274 4.740 0.000 0.000 0.253 228 N C -0.881 174.478 175.510 -0.251 0.000 1.506 228 N CA -0.358 52.750 53.050 0.098 0.000 0.876 228 N CB 2.422 40.898 38.487 -0.018 0.000 1.452 228 N HN 0.616 nan 8.380 nan 0.000 0.542 229 G N 0.051 108.345 108.800 -0.844 0.000 2.552 229 G HA2 0.467 4.427 3.960 0.000 0.000 0.318 229 G HA3 0.467 4.427 3.960 0.000 0.000 0.318 229 G C -1.876 171.963 174.900 -1.769 0.000 1.240 229 G CA -1.072 43.122 45.100 -1.511 0.000 1.002 229 G HN 0.317 nan 8.290 nan 0.000 0.493 230 P HA -0.158 nan 4.420 nan 0.000 0.216 230 P C 1.556 178.043 177.300 -1.355 0.000 1.153 230 P CA 2.044 63.829 63.100 -2.192 0.000 0.858 230 P CB -0.088 30.875 31.700 -1.228 0.000 0.789 231 W N 0.415 121.407 121.300 -0.512 0.000 2.313 231 W HA -0.169 4.491 4.660 0.000 0.000 0.293 231 W C 2.007 178.436 176.519 -0.151 0.000 1.216 231 W CA 1.233 58.429 57.345 -0.250 0.000 1.223 231 W CB -2.090 27.279 29.460 -0.152 0.000 1.138 231 W HN -0.116 nan 8.180 nan 0.000 0.535 232 A N 0.199 122.736 122.820 -0.471 0.000 2.067 232 A HA -0.069 4.251 4.320 0.000 0.000 0.219 232 A C 1.654 179.245 177.584 0.012 0.000 1.158 232 A CA 1.197 53.168 52.037 -0.110 0.000 0.661 232 A CB -1.259 17.614 19.000 -0.211 0.000 0.801 232 A HN 0.474 nan 8.150 nan 0.000 0.452 233 W N -0.024 121.217 121.300 -0.099 0.000 2.374 233 W HA -0.065 4.595 4.660 0.000 0.000 0.288 233 W C 2.715 179.231 176.519 -0.005 0.000 1.218 233 W CA 0.571 57.873 57.345 -0.071 0.000 1.245 233 W CB -1.497 27.981 29.460 0.030 0.000 1.126 233 W HN 0.416 nan 8.180 nan 0.000 0.545 234 S N 0.741 116.580 115.700 0.232 0.000 2.359 234 S HA -0.189 4.281 4.470 0.000 0.000 0.224 234 S C 1.731 176.400 174.600 0.116 0.000 1.035 234 S CA 1.783 60.079 58.200 0.161 0.000 1.018 234 S CB -0.277 62.990 63.200 0.110 0.000 0.876 234 S HN 0.143 nan 8.310 nan 0.000 0.448 235 N N 1.272 120.033 118.700 0.100 0.000 2.244 235 N HA 0.078 4.818 4.740 0.000 0.000 0.183 235 N C 1.661 177.205 175.510 0.058 0.000 1.016 235 N CA 1.111 54.209 53.050 0.079 0.000 0.866 235 N CB -0.425 38.118 38.487 0.093 0.000 0.980 235 N HN 0.507 nan 8.380 nan 0.000 0.430 236 I N 0.742 121.326 120.570 0.023 0.000 2.286 236 I HA -0.192 3.978 4.170 0.000 0.000 0.245 236 I C 1.431 177.574 176.117 0.043 0.000 1.104 236 I CA 0.918 62.183 61.300 -0.058 0.000 1.397 236 I CB -0.275 37.472 38.000 -0.422 0.000 1.072 236 I HN -0.061 nan 8.210 nan 0.000 0.417 237 D N 1.024 121.503 120.400 0.132 0.000 2.116 237 D HA -0.175 4.465 4.640 0.000 0.000 0.193 237 D C 2.208 178.574 176.300 0.110 0.000 0.998 237 D CA 1.917 56.028 54.000 0.184 0.000 0.836 237 D CB -0.519 40.386 40.800 0.174 0.000 0.951 237 D HN 0.279 nan 8.370 nan 0.000 0.449 238 T N -0.096 114.507 114.554 0.083 0.000 2.867 238 T HA -0.126 4.224 4.350 0.000 0.000 0.268 238 T C 2.011 176.739 174.700 0.046 0.000 1.057 238 T CA 1.493 63.628 62.100 0.058 0.000 1.136 238 T CB -0.262 68.637 68.868 0.052 0.000 0.874 238 T HN 0.238 nan 8.240 nan 0.000 0.466 239 S N 0.601 116.328 115.700 0.045 0.000 2.515 239 S HA 0.028 4.498 4.470 0.000 0.000 0.231 239 S C 1.002 175.615 174.600 0.022 0.000 0.987 239 S CA 0.537 58.753 58.200 0.026 0.000 0.936 239 S CB -0.280 62.929 63.200 0.015 0.000 0.766 239 S HN 0.275 nan 8.310 nan 0.000 0.528 240 K N -0.035 120.392 120.400 0.045 0.000 3.209 240 K HA -0.088 4.232 4.320 0.000 0.000 0.289 240 K C -0.565 176.053 176.600 0.029 0.000 1.191 240 K CA 0.745 57.056 56.287 0.040 0.000 0.851 240 K CB -2.595 29.916 32.500 0.018 0.000 1.242 240 K HN 0.423 nan 8.250 nan 0.000 0.480 241 V N 1.387 121.324 119.914 0.038 0.000 2.572 241 V HA 0.058 4.178 4.120 0.000 0.000 0.291 241 V C 0.854 177.008 176.094 0.100 0.000 1.039 241 V CA -0.518 61.782 62.300 0.000 0.000 1.055 241 V CB 1.223 32.977 31.823 -0.116 0.000 0.969 241 V HN 0.308 nan 8.190 nan 0.000 0.482 242 N N 4.940 123.647 118.700 0.011 0.000 2.402 242 N HA 0.181 4.921 4.740 0.000 0.000 0.259 242 N C -0.874 174.622 175.510 -0.024 0.000 1.167 242 N CA -0.141 52.894 53.050 -0.026 0.000 0.949 242 N CB -0.152 38.299 38.487 -0.060 0.000 1.212 242 N HN 0.614 nan 8.380 nan 0.000 0.493 243 Y N 0.447 120.651 120.300 -0.161 0.000 2.570 243 Y HA 0.863 5.413 4.550 0.000 0.000 0.345 243 Y C 0.104 175.770 175.900 -0.391 0.000 1.014 243 Y CA -1.539 56.430 58.100 -0.219 0.000 1.063 243 Y CB 0.932 39.410 38.460 0.032 0.000 1.272 243 Y HN 0.273 nan 8.280 nan 0.000 0.477 244 G N 0.983 109.381 108.800 -0.671 0.000 2.482 244 G HA2 0.573 4.533 3.960 0.000 0.000 0.317 244 G HA3 0.573 4.533 3.960 0.000 0.000 0.317 244 G C -2.000 172.745 174.900 -0.259 0.000 1.241 244 G CA -1.116 43.591 45.100 -0.655 0.000 0.967 244 G HN 0.662 nan 8.290 nan 0.000 0.482 245 V N 0.958 120.792 119.914 -0.132 0.000 2.370 245 V HA 0.709 4.829 4.120 0.000 0.000 0.283 245 V C 0.412 176.545 176.094 0.064 0.000 1.023 245 V CA -0.337 61.958 62.300 -0.009 0.000 0.857 245 V CB 1.089 32.822 31.823 -0.150 0.000 0.985 245 V HN 0.898 nan 8.190 nan 0.000 0.443 246 T N 3.078 117.708 114.554 0.126 0.000 2.804 246 T HA 0.509 4.859 4.350 0.000 0.000 0.290 246 T C -0.725 173.984 174.700 0.015 0.000 1.099 246 T CA -0.380 61.766 62.100 0.077 0.000 1.011 246 T CB 1.972 70.892 68.868 0.087 0.000 1.291 246 T HN 0.467 nan 8.240 nan 0.000 0.523 247 V N 3.230 123.132 119.914 -0.021 0.000 2.763 247 V HA 0.330 4.450 4.120 0.000 0.000 0.306 247 V C 0.262 176.314 176.094 -0.071 0.000 1.059 247 V CA -0.004 62.274 62.300 -0.037 0.000 1.138 247 V CB -0.128 31.669 31.823 -0.042 0.000 0.940 247 V HN 0.723 nan 8.190 nan 0.000 0.489 248 L N 8.295 129.480 121.223 -0.064 0.000 2.483 248 L HA 0.270 4.610 4.340 0.000 0.000 0.275 248 L C -1.952 174.840 176.870 -0.129 0.000 1.220 248 L CA -1.374 53.403 54.840 -0.104 0.000 0.833 248 L CB 0.172 42.210 42.059 -0.035 0.000 1.102 248 L HN 0.553 nan 8.230 nan 0.000 0.490 249 P HA 0.085 nan 4.420 nan 0.000 0.272 249 P C -0.519 176.787 177.300 0.009 0.000 1.223 249 P CA -0.494 62.442 63.100 -0.273 0.000 0.784 249 P CB 0.476 31.767 31.700 -0.682 0.000 0.923 250 T N -0.797 113.792 114.554 0.058 0.000 2.828 250 T HA 0.453 4.803 4.350 0.000 0.000 0.290 250 T C -0.645 174.247 174.700 0.320 0.000 1.019 250 T CA -0.212 61.975 62.100 0.144 0.000 1.031 250 T CB 0.116 69.009 68.868 0.041 0.000 1.001 250 T HN 0.225 nan 8.240 nan 0.000 0.531 251 F N 1.558 121.529 119.950 0.035 0.000 2.539 251 F HA 0.434 4.961 4.527 0.000 0.000 0.318 251 F C 0.326 176.055 175.800 -0.119 0.000 1.135 251 F CA -1.391 56.548 58.000 -0.101 0.000 0.915 251 F CB 1.285 40.128 39.000 -0.263 0.000 1.176 251 F HN 0.856 nan 8.300 nan 0.000 0.440 252 K N 4.512 124.465 120.400 -0.745 0.000 3.071 252 K HA -0.226 4.094 4.320 0.000 0.000 0.262 252 K C 0.940 177.379 176.600 -0.268 0.000 0.977 252 K CA 0.900 56.847 56.287 -0.566 0.000 0.721 252 K CB -1.900 30.151 32.500 -0.749 0.000 1.293 252 K HN 1.473 nan 8.250 nan 0.000 0.475 253 G N -0.278 108.426 108.800 -0.161 0.000 2.184 253 G HA2 -0.359 3.601 3.960 0.000 0.000 0.264 253 G HA3 -0.359 3.601 3.960 0.000 0.000 0.264 253 G C -0.010 174.853 174.900 -0.061 0.000 0.975 253 G CA 0.947 45.993 45.100 -0.090 0.000 0.642 253 G HN 0.490 nan 8.290 nan 0.000 0.536 254 Q N 0.923 120.688 119.800 -0.059 0.000 2.266 254 Q HA 0.545 4.885 4.340 0.000 0.000 0.261 254 Q C -2.378 173.634 176.000 0.019 0.000 0.985 254 Q CA -2.110 53.678 55.803 -0.024 0.000 0.873 254 Q CB 2.423 31.141 28.738 -0.032 0.000 1.306 254 Q HN 0.235 nan 8.270 nan 0.000 0.447 255 P HA 0.023 nan 4.420 nan 0.000 0.275 255 P C -0.758 176.568 177.300 0.042 0.000 1.228 255 P CA -0.177 62.941 63.100 0.030 0.000 0.786 255 P CB 0.938 32.643 31.700 0.008 0.000 0.927 256 S N 2.109 117.856 115.700 0.077 0.000 2.549 256 S HA 0.050 4.520 4.470 0.000 0.000 0.286 256 S C 0.466 175.066 174.600 0.000 0.000 1.314 256 S CA 0.003 58.240 58.200 0.062 0.000 1.062 256 S CB -0.184 63.109 63.200 0.154 0.000 0.865 256 S HN 0.291 nan 8.310 nan 0.000 0.498 257 K N 3.745 124.107 120.400 -0.062 0.000 2.499 257 K HA 0.263 4.583 4.320 0.000 0.000 0.215 257 K C -2.632 173.936 176.600 -0.053 0.000 1.041 257 K CA -1.728 54.521 56.287 -0.064 0.000 1.031 257 K CB 0.966 33.403 32.500 -0.106 0.000 1.479 257 K HN 0.396 nan 8.250 nan 0.000 0.518 258 P HA 0.058 nan 4.420 nan 0.000 0.275 258 P C -0.495 176.917 177.300 0.186 0.000 1.227 258 P CA -0.381 62.758 63.100 0.065 0.000 0.781 258 P CB 0.510 32.220 31.700 0.016 0.000 0.906 259 F N 1.900 122.035 119.950 0.309 0.000 2.541 259 F HA 0.007 4.534 4.527 0.000 0.000 0.378 259 F C 0.810 176.805 175.800 0.324 0.000 1.068 259 F CA 0.131 58.344 58.000 0.356 0.000 1.199 259 F CB 0.075 39.348 39.000 0.456 0.000 1.091 259 F HN 0.020 nan 8.300 nan 0.000 0.555 260 V N 4.619 124.873 119.914 0.566 0.000 2.470 260 V HA 0.427 4.547 4.120 0.000 0.000 0.276 260 V C 0.700 177.109 176.094 0.524 0.000 1.040 260 V CA -0.395 62.178 62.300 0.455 0.000 1.008 260 V CB 0.557 32.622 31.823 0.402 0.000 0.990 260 V HN 0.864 nan 8.190 nan 0.000 0.477 261 G N 3.514 112.591 108.800 0.462 0.000 2.416 261 G HA2 0.592 4.552 3.960 0.000 0.000 0.329 261 G HA3 0.592 4.552 3.960 0.000 0.000 0.329 261 G C -1.085 174.026 174.900 0.351 0.000 1.173 261 G CA -0.487 44.880 45.100 0.444 0.000 0.929 261 G HN 0.538 nan 8.290 nan 0.000 0.475 262 V N 3.156 123.314 119.914 0.406 0.000 2.326 262 V HA 0.208 4.328 4.120 0.000 0.000 0.281 262 V C 0.112 176.293 176.094 0.146 0.000 1.015 262 V CA -0.768 61.631 62.300 0.166 0.000 0.823 262 V CB 1.098 32.882 31.823 -0.066 0.000 1.009 262 V HN 0.722 nan 8.190 nan 0.000 0.436 263 L N 5.804 127.085 121.223 0.097 0.000 2.584 263 L HA 0.269 4.609 4.340 0.000 0.000 0.272 263 L C 0.370 177.270 176.870 0.050 0.000 1.195 263 L CA 1.396 56.285 54.840 0.082 0.000 0.920 263 L CB 0.401 42.520 42.059 0.100 0.000 1.173 263 L HN 0.726 nan 8.230 nan 0.000 0.489 264 S N 3.391 119.090 115.700 -0.002 0.000 2.599 264 S HA 0.900 5.370 4.470 0.000 0.000 0.294 264 S C -0.781 173.607 174.600 -0.353 0.000 1.094 264 S CA -0.352 57.693 58.200 -0.258 0.000 0.931 264 S CB 1.881 64.717 63.200 -0.606 0.000 1.093 264 S HN 0.900 nan 8.310 nan 0.000 0.488 265 A N 1.308 123.844 122.820 -0.474 0.000 2.310 265 A HA 0.775 5.095 4.320 0.000 0.000 0.304 265 A C 0.147 177.600 177.584 -0.219 0.000 1.231 265 A CA -0.602 51.062 52.037 -0.621 0.000 0.799 265 A CB 0.517 18.921 19.000 -0.995 0.000 1.162 265 A HN 0.896 nan 8.150 nan 0.000 0.486 266 G N 1.085 109.894 108.800 0.016 0.000 2.410 266 G HA2 0.586 4.546 3.960 0.000 0.000 0.330 266 G HA3 0.586 4.546 3.960 0.000 0.000 0.330 266 G C -0.561 174.388 174.900 0.082 0.000 1.142 266 G CA -0.626 44.573 45.100 0.165 0.000 0.902 266 G HN 0.676 nan 8.290 nan 0.000 0.491 267 I N 1.780 122.414 120.570 0.108 0.000 2.339 267 I HA 0.114 4.284 4.170 0.000 0.000 0.290 267 I C 0.131 176.308 176.117 0.100 0.000 0.994 267 I CA -0.941 60.410 61.300 0.086 0.000 1.191 267 I CB 1.422 39.485 38.000 0.105 0.000 1.343 267 I HN 0.348 nan 8.210 nan 0.000 0.458 268 N N 4.587 123.343 118.700 0.095 0.000 2.359 268 N HA -0.046 4.694 4.740 0.000 0.000 0.261 268 N C 0.947 176.494 175.510 0.063 0.000 1.267 268 N CA 0.425 53.553 53.050 0.129 0.000 0.864 268 N CB 1.346 39.877 38.487 0.074 0.000 1.063 268 N HN 0.803 nan 8.380 nan 0.000 0.474 269 A N 4.078 126.932 122.820 0.056 0.000 1.978 269 A HA -0.092 4.228 4.320 0.000 0.000 0.220 269 A C 1.838 179.419 177.584 -0.005 0.000 1.170 269 A CA 1.871 53.923 52.037 0.026 0.000 0.636 269 A CB -0.465 18.546 19.000 0.019 0.000 0.810 269 A HN 0.760 nan 8.150 nan 0.000 0.448 270 A N -0.792 122.008 122.820 -0.033 0.000 2.251 270 A HA 0.354 4.674 4.320 0.000 0.000 0.209 270 A C 1.319 178.878 177.584 -0.042 0.000 1.187 270 A CA 0.672 52.678 52.037 -0.050 0.000 0.823 270 A CB -0.484 18.463 19.000 -0.088 0.000 0.846 270 A HN 0.433 nan 8.150 nan 0.000 0.486 271 S N 1.178 116.862 115.700 -0.028 0.000 2.533 271 S HA 0.277 4.747 4.470 0.000 0.000 0.282 271 S C -1.438 173.153 174.600 -0.014 0.000 1.304 271 S CA -0.917 57.268 58.200 -0.026 0.000 1.063 271 S CB 0.730 63.922 63.200 -0.014 0.000 0.881 271 S HN 0.297 nan 8.310 nan 0.000 0.493 272 P HA 0.197 nan 4.420 nan 0.000 0.257 272 P C -0.420 176.881 177.300 0.002 0.000 1.281 272 P CA 0.116 63.211 63.100 -0.008 0.000 0.826 272 P CB -0.014 31.678 31.700 -0.012 0.000 1.237 273 N N 0.259 118.960 118.700 0.002 0.000 2.480 273 N HA 0.128 4.868 4.740 0.000 0.000 0.281 273 N C 0.905 176.429 175.510 0.024 0.000 1.381 273 N CA -0.227 52.831 53.050 0.013 0.000 0.903 273 N CB 0.590 39.078 38.487 0.000 0.000 1.274 273 N HN 0.163 nan 8.380 nan 0.000 0.505 274 K N 0.711 121.128 120.400 0.029 0.000 2.148 274 K HA -0.099 4.222 4.320 0.000 0.000 0.204 274 K C 1.027 177.663 176.600 0.060 0.000 1.050 274 K CA 1.217 57.531 56.287 0.044 0.000 0.942 274 K CB 0.365 32.891 32.500 0.043 0.000 0.724 274 K HN 0.160 nan 8.250 nan 0.000 0.446 275 E N 1.046 121.281 120.200 0.058 0.000 2.046 275 E HA -0.083 4.267 4.350 0.000 0.000 0.190 275 E C 1.933 178.591 176.600 0.096 0.000 0.982 275 E CA 0.758 57.200 56.400 0.070 0.000 0.800 275 E CB -0.156 29.581 29.700 0.061 0.000 0.756 275 E HN 0.134 nan 8.360 nan 0.000 0.449 276 L N 0.566 121.854 121.223 0.108 0.000 2.079 276 L HA -0.212 4.128 4.340 0.000 0.000 0.210 276 L C 2.449 179.375 176.870 0.094 0.000 1.081 276 L CA 1.154 56.099 54.840 0.176 0.000 0.752 276 L CB -0.637 41.521 42.059 0.166 0.000 0.896 276 L HN 0.176 nan 8.230 nan 0.000 0.433 277 A N 0.346 123.188 122.820 0.036 0.000 1.877 277 A HA -0.254 4.066 4.320 0.000 0.000 0.216 277 A C 2.423 180.027 177.584 0.032 0.000 1.186 277 A CA 2.003 54.047 52.037 0.011 0.000 0.620 277 A CB -0.450 18.566 19.000 0.028 0.000 0.822 277 A HN 0.360 nan 8.150 nan 0.000 0.443 278 K N -0.565 119.864 120.400 0.048 0.000 2.026 278 K HA -0.193 4.127 4.320 0.000 0.000 0.208 278 K C 1.996 178.561 176.600 -0.058 0.000 1.048 278 K CA 1.555 57.841 56.287 -0.001 0.000 0.929 278 K CB -0.169 32.377 32.500 0.077 0.000 0.713 278 K HN 0.393 nan 8.250 nan 0.000 0.439 279 E N 0.210 120.453 120.200 0.072 0.000 2.038 279 E HA -0.215 4.135 4.350 0.000 0.000 0.195 279 E C 1.845 178.581 176.600 0.226 0.000 1.000 279 E CA 1.335 57.847 56.400 0.188 0.000 0.803 279 E CB -0.348 29.562 29.700 0.349 0.000 0.750 279 E HN 0.353 nan 8.360 nan 0.000 0.448 280 F N 1.349 121.226 119.950 -0.121 0.000 2.069 280 F HA -0.215 4.312 4.527 0.000 0.000 0.298 280 F C 2.258 177.978 175.800 -0.134 0.000 1.113 280 F CA 1.414 59.170 58.000 -0.407 0.000 1.214 280 F CB -0.407 38.062 39.000 -0.884 0.000 0.978 280 F HN -0.059 nan 8.300 nan 0.000 0.474 281 L N -0.131 120.959 121.223 -0.221 0.000 2.005 281 L HA -0.175 4.165 4.340 0.000 0.000 0.207 281 L C 2.490 179.118 176.870 -0.403 0.000 1.072 281 L CA 1.752 56.359 54.840 -0.387 0.000 0.744 281 L CB -0.773 40.947 42.059 -0.566 0.000 0.895 281 L HN 0.167 nan 8.230 nan 0.000 0.433 282 E N -0.083 119.831 120.200 -0.477 0.000 2.046 282 E HA -0.133 4.218 4.350 0.000 0.000 0.190 282 E C 1.549 178.103 176.600 -0.076 0.000 0.982 282 E CA 1.000 57.111 56.400 -0.483 0.000 0.800 282 E CB 0.003 29.212 29.700 -0.818 0.000 0.756 282 E HN 0.445 nan 8.360 nan 0.000 0.449 283 N N -0.980 117.702 118.700 -0.030 0.000 2.325 283 N HA 0.021 4.761 4.740 0.000 0.000 0.182 283 N C 0.660 176.074 175.510 -0.160 0.000 1.088 283 N CA 0.589 53.637 53.050 -0.004 0.000 0.879 283 N CB 0.427 38.955 38.487 0.069 0.000 0.983 283 N HN 0.191 nan 8.380 nan 0.000 0.471 284 Y N -0.432 119.781 120.300 -0.146 0.000 2.697 284 Y HA 0.193 4.743 4.550 0.000 0.000 0.268 284 Y C 1.762 177.478 175.900 -0.307 0.000 1.092 284 Y CA -0.260 57.723 58.100 -0.196 0.000 1.304 284 Y CB -0.394 37.949 38.460 -0.195 0.000 1.446 284 Y HN -0.151 nan 8.280 nan 0.000 0.491 285 L N 0.464 121.470 121.223 -0.361 0.000 1.988 285 L HA 0.014 4.354 4.340 0.000 0.000 0.207 285 L C 0.838 177.639 176.870 -0.116 0.000 1.071 285 L CA 1.862 56.530 54.840 -0.287 0.000 0.744 285 L CB -0.797 41.060 42.059 -0.337 0.000 0.893 285 L HN 0.134 nan 8.230 nan 0.000 0.433 286 L N 1.443 122.634 121.223 -0.053 0.000 2.650 286 L HA 0.161 4.501 4.340 0.000 0.000 0.239 286 L C -0.020 176.870 176.870 0.035 0.000 1.412 286 L CA -0.034 54.835 54.840 0.047 0.000 1.219 286 L CB -1.444 40.748 42.059 0.221 0.000 1.534 286 L HN 0.449 nan 8.230 nan 0.000 0.430 287 T N -6.291 108.233 114.554 -0.050 0.000 2.865 287 T HA 0.284 4.634 4.350 0.000 0.000 0.294 287 T C 0.624 175.228 174.700 -0.160 0.000 1.119 287 T CA -0.872 61.182 62.100 -0.077 0.000 1.007 287 T CB 1.996 70.804 68.868 -0.099 0.000 1.225 287 T HN -0.018 nan 8.240 nan 0.000 0.515 288 D N 0.664 120.968 120.400 -0.160 0.000 2.123 288 D HA -0.087 4.553 4.640 0.000 0.000 0.196 288 D C 1.743 177.774 176.300 -0.449 0.000 0.992 288 D CA 1.605 55.420 54.000 -0.309 0.000 0.833 288 D CB -0.041 40.708 40.800 -0.084 0.000 0.954 288 D HN 0.736 nan 8.370 nan 0.000 0.455 289 E N 0.259 120.318 120.200 -0.235 0.000 2.107 289 E HA -0.012 4.338 4.350 0.000 0.000 0.191 289 E C 2.195 178.692 176.600 -0.171 0.000 0.982 289 E CA 1.088 57.383 56.400 -0.175 0.000 0.809 289 E CB -0.580 29.061 29.700 -0.099 0.000 0.756 289 E HN 0.295 nan 8.360 nan 0.000 0.459 290 G N 0.884 109.586 108.800 -0.163 0.000 2.414 290 G HA2 -0.213 3.747 3.960 0.000 0.000 0.215 290 G HA3 -0.213 3.747 3.960 0.000 0.000 0.215 290 G C 1.535 176.352 174.900 -0.139 0.000 1.188 290 G CA 0.540 45.568 45.100 -0.121 0.000 0.783 290 G HN 0.134 nan 8.290 nan 0.000 0.537 291 L N 0.288 121.383 121.223 -0.214 0.000 2.131 291 L HA -0.036 4.304 4.340 0.000 0.000 0.210 291 L C 2.740 179.481 176.870 -0.214 0.000 1.092 291 L CA 1.332 56.064 54.840 -0.180 0.000 0.759 291 L CB -0.323 41.642 42.059 -0.157 0.000 0.903 291 L HN 0.395 nan 8.230 nan 0.000 0.435 292 E N 0.596 120.518 120.200 -0.463 0.000 2.077 292 E HA -0.250 4.100 4.350 0.000 0.000 0.193 292 E C 2.240 178.826 176.600 -0.024 0.000 0.989 292 E CA 1.245 57.520 56.400 -0.208 0.000 0.800 292 E CB 0.009 29.570 29.700 -0.231 0.000 0.746 292 E HN 0.447 nan 8.360 nan 0.000 0.452 293 A N 0.450 123.241 122.820 -0.049 0.000 1.933 293 A HA -0.135 4.185 4.320 0.000 0.000 0.218 293 A C 2.356 179.945 177.584 0.008 0.000 1.175 293 A CA 1.540 53.575 52.037 -0.004 0.000 0.628 293 A CB -0.514 18.488 19.000 0.002 0.000 0.814 293 A HN 0.236 nan 8.150 nan 0.000 0.444 294 V N 0.277 120.193 119.914 0.003 0.000 2.346 294 V HA -0.198 3.922 4.120 0.000 0.000 0.244 294 V C 2.344 178.459 176.094 0.036 0.000 1.037 294 V CA 2.116 64.420 62.300 0.007 0.000 1.029 294 V CB -1.098 30.727 31.823 0.002 0.000 0.663 294 V HN 0.710 nan 8.190 nan 0.000 0.454 295 N N 0.334 119.085 118.700 0.084 0.000 2.149 295 N HA -0.193 4.547 4.740 0.000 0.000 0.188 295 N C 1.790 177.374 175.510 0.122 0.000 1.019 295 N CA 1.422 54.554 53.050 0.137 0.000 0.857 295 N CB -0.155 38.485 38.487 0.255 0.000 0.997 295 N HN 0.409 nan 8.380 nan 0.000 0.426 296 K N -0.142 120.321 120.400 0.104 0.000 2.097 296 K HA -0.162 4.158 4.320 0.000 0.000 0.206 296 K C 1.391 178.025 176.600 0.056 0.000 1.049 296 K CA 1.349 57.688 56.287 0.086 0.000 0.933 296 K CB -0.182 32.358 32.500 0.068 0.000 0.717 296 K HN 0.300 nan 8.250 nan 0.000 0.442 297 D N 0.669 121.083 120.400 0.024 0.000 2.077 297 D HA -0.075 4.565 4.640 0.000 0.000 0.197 297 D C -0.026 176.271 176.300 -0.006 0.000 0.983 297 D CA 1.405 55.392 54.000 -0.021 0.000 0.841 297 D CB 0.360 41.112 40.800 -0.079 0.000 0.992 297 D HN -0.151 nan 8.370 nan 0.000 0.450 298 K N 0.446 120.848 120.400 0.003 0.000 2.541 298 K HA 0.396 4.716 4.320 0.000 0.000 0.250 298 K C -2.621 174.016 176.600 0.061 0.000 0.950 298 K CA -2.154 54.157 56.287 0.039 0.000 0.805 298 K CB 1.957 34.471 32.500 0.024 0.000 1.166 298 K HN -0.002 nan 8.250 nan 0.000 0.430 299 P HA 0.069 nan 4.420 nan 0.000 0.262 299 P C 0.598 177.893 177.300 -0.007 0.000 1.182 299 P CA 0.084 63.215 63.100 0.052 0.000 0.761 299 P CB 0.567 32.297 31.700 0.051 0.000 0.795 300 L N 1.931 123.187 121.223 0.056 0.000 2.375 300 L HA 0.165 4.505 4.340 0.000 0.000 0.215 300 L C 1.555 178.453 176.870 0.046 0.000 1.108 300 L CA 1.140 56.026 54.840 0.076 0.000 0.830 300 L CB -0.674 41.455 42.059 0.117 0.000 0.959 300 L HN 0.757 nan 8.230 nan 0.000 0.457 301 G N -0.060 108.738 108.800 -0.003 0.000 2.513 301 G HA2 -0.192 3.769 3.960 0.000 0.000 0.227 301 G HA3 -0.192 3.769 3.960 0.000 0.000 0.227 301 G C -0.273 174.674 174.900 0.079 0.000 1.176 301 G CA -0.301 44.803 45.100 0.007 0.000 0.967 301 G HN 0.351 nan 8.290 nan 0.000 0.587 302 A N 0.735 123.595 122.820 0.068 0.000 2.391 302 A HA 0.720 5.040 4.320 0.000 0.000 0.316 302 A C 0.862 178.496 177.584 0.084 0.000 1.381 302 A CA 0.567 52.635 52.037 0.052 0.000 0.998 302 A CB -0.191 18.805 19.000 -0.007 0.000 1.147 302 A HN 2.282 nan 8.150 nan 0.000 0.545 303 V N 0.830 120.818 119.914 0.124 0.000 2.843 303 V HA 0.429 4.549 4.120 0.000 0.000 0.305 303 V C 1.264 177.475 176.094 0.196 0.000 1.065 303 V CA 0.365 62.763 62.300 0.163 0.000 1.116 303 V CB 0.427 32.389 31.823 0.232 0.000 0.968 303 V HN 1.064 nan 8.190 nan 0.000 0.487 304 A N 3.706 126.614 122.820 0.147 0.000 1.969 304 A HA 0.101 4.421 4.320 0.000 0.000 0.218 304 A C 1.241 178.879 177.584 0.091 0.000 1.169 304 A CA 0.795 52.919 52.037 0.146 0.000 0.635 304 A CB -0.505 18.468 19.000 -0.045 0.000 0.810 304 A HN 1.042 nan 8.150 nan 0.000 0.445 305 L N 0.900 122.147 121.223 0.041 0.000 2.530 305 L HA 0.127 4.467 4.340 0.000 0.000 0.273 305 L C 1.110 177.960 176.870 -0.033 0.000 1.141 305 L CA 0.306 55.121 54.840 -0.040 0.000 0.905 305 L CB 0.234 42.299 42.059 0.010 0.000 1.202 305 L HN 0.279 nan 8.230 nan 0.000 0.473 306 K N 1.614 121.852 120.400 -0.269 0.000 2.044 306 K HA -0.211 4.109 4.320 0.000 0.000 0.210 306 K C 2.032 178.600 176.600 -0.052 0.000 1.049 306 K CA 1.920 57.999 56.287 -0.347 0.000 0.927 306 K CB -0.166 32.033 32.500 -0.502 0.000 0.713 306 K HN 0.915 nan 8.250 nan 0.000 0.443 307 S N 0.250 115.934 115.700 -0.026 0.000 2.359 307 S HA -0.223 4.247 4.470 0.000 0.000 0.224 307 S C 2.069 176.742 174.600 0.122 0.000 1.035 307 S CA 1.145 59.369 58.200 0.039 0.000 1.018 307 S CB -0.644 62.575 63.200 0.032 0.000 0.876 307 S HN 0.357 nan 8.310 nan 0.000 0.448 308 Y N 2.123 122.427 120.300 0.006 0.000 2.420 308 Y HA 0.185 4.735 4.550 0.000 0.000 0.292 308 Y C 2.626 178.560 175.900 0.058 0.000 1.119 308 Y CA 0.980 59.097 58.100 0.029 0.000 1.229 308 Y CB -0.317 38.159 38.460 0.027 0.000 1.026 308 Y HN 0.261 nan 8.280 nan 0.000 0.554 309 E N 0.875 121.128 120.200 0.089 0.000 2.077 309 E HA -0.229 4.121 4.350 0.000 0.000 0.193 309 E C 1.754 178.360 176.600 0.010 0.000 0.989 309 E CA 1.642 58.080 56.400 0.064 0.000 0.800 309 E CB -0.004 29.856 29.700 0.268 0.000 0.746 309 E HN 0.657 nan 8.360 nan 0.000 0.452 310 E N 0.333 120.561 120.200 0.046 0.000 2.110 310 E HA -0.209 4.142 4.350 0.000 0.000 0.193 310 E C 2.091 178.670 176.600 -0.034 0.000 0.988 310 E CA 1.099 57.513 56.400 0.023 0.000 0.804 310 E CB -0.122 29.602 29.700 0.039 0.000 0.745 310 E HN 0.336 nan 8.360 nan 0.000 0.458 311 E N 0.261 120.417 120.200 -0.073 0.000 2.110 311 E HA -0.194 4.156 4.350 0.000 0.000 0.193 311 E C 1.470 177.968 176.600 -0.170 0.000 0.988 311 E CA 0.771 57.104 56.400 -0.111 0.000 0.804 311 E CB 0.210 29.842 29.700 -0.113 0.000 0.745 311 E HN 0.084 nan 8.360 nan 0.000 0.458 312 L N -0.182 120.893 121.223 -0.246 0.000 2.554 312 L HA 0.233 4.573 4.340 0.000 0.000 0.225 312 L C 1.942 178.755 176.870 -0.095 0.000 1.104 312 L CA 0.823 55.542 54.840 -0.202 0.000 0.866 312 L CB -0.113 41.776 42.059 -0.284 0.000 1.047 312 L HN 0.120 nan 8.230 nan 0.000 0.468 313 A N -0.359 122.418 122.820 -0.071 0.000 2.019 313 A HA -0.213 4.107 4.320 0.000 0.000 0.219 313 A C 2.279 179.838 177.584 -0.042 0.000 1.164 313 A CA 1.392 53.404 52.037 -0.041 0.000 0.644 313 A CB -0.349 18.636 19.000 -0.026 0.000 0.805 313 A HN 0.370 nan 8.150 nan 0.000 0.449 314 K N 0.151 120.522 120.400 -0.048 0.000 2.103 314 K HA -0.137 4.183 4.320 0.000 0.000 0.207 314 K C 0.391 176.955 176.600 -0.059 0.000 1.048 314 K CA 0.797 57.055 56.287 -0.049 0.000 0.930 314 K CB -0.285 32.187 32.500 -0.047 0.000 0.716 314 K HN 0.433 nan 8.250 nan 0.000 0.444 315 D N 1.306 121.667 120.400 -0.064 0.000 2.570 315 D HA -0.058 4.582 4.640 0.000 0.000 0.243 315 D C -1.608 174.634 176.300 -0.097 0.000 1.171 315 D CA -1.197 52.752 54.000 -0.085 0.000 0.879 315 D CB 1.050 41.811 40.800 -0.064 0.000 1.143 315 D HN 0.029 nan 8.370 nan 0.000 0.511 316 P HA -0.079 nan 4.420 nan 0.000 0.223 316 P C 1.103 178.312 177.300 -0.152 0.000 1.151 316 P CA 0.731 63.757 63.100 -0.123 0.000 0.787 316 P CB 0.353 31.974 31.700 -0.131 0.000 0.788 317 R N -0.458 119.882 120.500 -0.266 0.000 2.075 317 R HA -0.016 4.324 4.340 0.000 0.000 0.232 317 R C 2.277 178.538 176.300 -0.066 0.000 1.126 317 R CA 1.016 56.872 56.100 -0.407 0.000 0.963 317 R CB -0.665 28.955 30.300 -1.133 0.000 0.858 317 R HN 0.161 nan 8.270 nan 0.000 0.435 318 I N 0.953 121.544 120.570 0.035 0.000 2.315 318 I HA -0.141 4.029 4.170 0.000 0.000 0.248 318 I C 2.519 178.675 176.117 0.065 0.000 1.117 318 I CA 1.117 62.514 61.300 0.162 0.000 1.404 318 I CB -1.398 36.668 38.000 0.110 0.000 1.071 318 I HN 0.126 nan 8.210 nan 0.000 0.419 319 A N 1.087 123.909 122.820 0.003 0.000 1.908 319 A HA -0.126 4.194 4.320 0.000 0.000 0.218 319 A C 2.566 180.147 177.584 -0.006 0.000 1.181 319 A CA 2.049 54.076 52.037 -0.016 0.000 0.627 319 A CB -0.695 18.283 19.000 -0.036 0.000 0.818 319 A HN 0.413 nan 8.150 nan 0.000 0.445 320 A N -1.116 121.706 122.820 0.003 0.000 1.929 320 A HA -0.021 4.299 4.320 0.000 0.000 0.216 320 A C 2.279 179.892 177.584 0.048 0.000 1.176 320 A CA 2.110 54.157 52.037 0.017 0.000 0.628 320 A CB -1.198 17.810 19.000 0.013 0.000 0.816 320 A HN 0.428 nan 8.150 nan 0.000 0.444 321 T N 0.312 114.927 114.554 0.101 0.000 2.684 321 T HA -0.172 4.178 4.350 0.000 0.000 0.267 321 T C 1.893 176.620 174.700 0.045 0.000 1.036 321 T CA 1.782 63.945 62.100 0.105 0.000 1.148 321 T CB -0.264 68.700 68.868 0.160 0.000 0.863 321 T HN 0.280 nan 8.240 nan 0.000 0.436 322 M N 0.889 120.501 119.600 0.019 0.000 2.319 322 M HA 0.067 4.547 4.480 0.000 0.000 0.265 322 M C 2.239 178.518 176.300 -0.035 0.000 1.068 322 M CA 1.009 56.291 55.300 -0.029 0.000 1.118 322 M CB -1.057 31.508 32.600 -0.060 0.000 1.395 322 M HN 0.390 nan 8.290 nan 0.000 0.435 323 E N 0.607 120.796 120.200 -0.019 0.000 2.051 323 E HA -0.194 4.156 4.350 0.000 0.000 0.192 323 E C 1.744 178.337 176.600 -0.012 0.000 0.991 323 E CA 1.190 57.577 56.400 -0.021 0.000 0.799 323 E CB 0.161 29.850 29.700 -0.018 0.000 0.748 323 E HN 0.421 nan 8.360 nan 0.000 0.449 324 N N 0.321 119.022 118.700 0.002 0.000 2.188 324 N HA -0.118 4.622 4.740 0.000 0.000 0.184 324 N C 1.677 177.201 175.510 0.022 0.000 1.018 324 N CA 1.148 54.204 53.050 0.010 0.000 0.858 324 N CB -0.299 38.197 38.487 0.015 0.000 0.989 324 N HN 0.241 nan 8.380 nan 0.000 0.426 325 A N 1.017 123.850 122.820 0.023 0.000 1.902 325 A HA -0.200 4.120 4.320 0.000 0.000 0.217 325 A C 2.252 179.842 177.584 0.011 0.000 1.181 325 A CA 1.429 53.487 52.037 0.035 0.000 0.623 325 A CB -0.619 18.386 19.000 0.009 0.000 0.818 325 A HN 0.180 nan 8.150 nan 0.000 0.443 326 Q N -0.053 119.730 119.800 -0.028 0.000 2.061 326 Q HA -0.143 4.197 4.340 0.000 0.000 0.204 326 Q C 1.911 177.909 176.000 -0.004 0.000 0.984 326 Q CA 2.167 57.948 55.803 -0.037 0.000 0.846 326 Q CB -0.232 28.477 28.738 -0.049 0.000 0.902 326 Q HN 0.702 nan 8.270 nan 0.000 0.421 327 K N -0.810 119.592 120.400 0.003 0.000 2.365 327 K HA 0.074 4.394 4.320 0.000 0.000 0.199 327 K C 0.951 177.565 176.600 0.023 0.000 1.045 327 K CA 0.538 56.830 56.287 0.009 0.000 0.962 327 K CB 0.110 32.612 32.500 0.003 0.000 0.759 327 K HN 0.225 nan 8.250 nan 0.000 0.469 328 G N 0.641 109.468 108.800 0.045 0.000 2.574 328 G HA2 0.226 4.186 3.960 0.000 0.000 0.248 328 G HA3 0.226 4.186 3.960 0.000 0.000 0.248 328 G C -0.996 173.973 174.900 0.115 0.000 1.422 328 G CA -0.257 44.884 45.100 0.069 0.000 1.051 328 G HN -0.010 nan 8.290 nan 0.000 0.560 329 E N -1.405 118.904 120.200 0.181 0.000 2.288 329 E HA 0.468 4.818 4.350 0.000 0.000 0.268 329 E C -0.684 176.188 176.600 0.454 0.000 0.885 329 E CA -0.741 55.823 56.400 0.273 0.000 0.767 329 E CB 2.201 32.055 29.700 0.256 0.000 1.220 329 E HN 0.372 nan 8.360 nan 0.000 0.427 330 I N 3.772 124.600 120.570 0.429 0.000 2.588 330 I HA 0.131 4.301 4.170 0.000 0.000 0.283 330 I C -0.024 176.386 176.117 0.488 0.000 1.119 330 I CA -0.243 61.337 61.300 0.468 0.000 1.419 330 I CB 0.367 38.568 38.000 0.336 0.000 1.394 330 I HN 0.583 nan 8.210 nan 0.000 0.562 331 M N 9.065 128.926 119.600 0.436 0.000 2.248 331 M HA 0.154 4.634 4.480 0.000 0.000 0.345 331 M C -2.133 174.218 176.300 0.085 0.000 1.243 331 M CA -1.193 54.094 55.300 -0.022 0.000 1.090 331 M CB -0.113 32.320 32.600 -0.278 0.000 1.683 331 M HN 0.354 nan 8.290 nan 0.000 0.450 332 P HA 0.024 nan 4.420 nan 0.000 0.270 332 P C -0.370 176.838 177.300 -0.152 0.000 1.223 332 P CA -0.026 62.942 63.100 -0.220 0.000 0.785 332 P CB 0.352 31.609 31.700 -0.738 0.000 0.923 333 N N 1.046 119.735 118.700 -0.018 0.000 2.204 333 N HA 0.044 4.784 4.740 0.000 0.000 0.219 333 N C 0.334 175.809 175.510 -0.059 0.000 1.151 333 N CA -0.290 52.752 53.050 -0.012 0.000 0.867 333 N CB -0.814 37.764 38.487 0.152 0.000 1.043 333 N HN 0.403 nan 8.380 nan 0.000 0.516 334 I N -2.403 118.118 120.570 -0.081 0.000 2.892 334 I HA 0.239 4.409 4.170 0.000 0.000 0.287 334 I C -1.516 174.506 176.117 -0.157 0.000 1.205 334 I CA -1.500 59.764 61.300 -0.060 0.000 1.409 334 I CB 0.371 38.282 38.000 -0.148 0.000 1.367 334 I HN -0.287 nan 8.210 nan 0.000 0.597 335 P HA -0.164 nan 4.420 nan 0.000 0.218 335 P C 0.963 178.194 177.300 -0.117 0.000 1.146 335 P CA 1.383 64.396 63.100 -0.145 0.000 0.813 335 P CB 0.024 31.669 31.700 -0.092 0.000 0.778 336 Q N -2.052 117.649 119.800 -0.166 0.000 2.482 336 Q HA 0.056 4.396 4.340 0.000 0.000 0.209 336 Q C 1.821 177.836 176.000 0.024 0.000 0.961 336 Q CA 0.737 56.460 55.803 -0.134 0.000 0.945 336 Q CB -0.680 27.839 28.738 -0.366 0.000 1.012 336 Q HN 0.214 nan 8.270 nan 0.000 0.515 337 M N -0.323 119.266 119.600 -0.018 0.000 2.159 337 M HA -0.120 4.360 4.480 0.000 0.000 0.263 337 M C 2.051 178.470 176.300 0.197 0.000 1.063 337 M CA 1.715 57.053 55.300 0.063 0.000 1.110 337 M CB -1.074 31.494 32.600 -0.053 0.000 1.374 337 M HN 0.338 nan 8.290 nan 0.000 0.411 338 S N 0.518 116.326 115.700 0.180 0.000 2.383 338 S HA -0.044 4.426 4.470 0.000 0.000 0.227 338 S C 2.121 176.864 174.600 0.239 0.000 1.026 338 S CA 1.144 59.488 58.200 0.239 0.000 0.981 338 S CB -0.682 62.577 63.200 0.099 0.000 0.818 338 S HN 0.423 nan 8.310 nan 0.000 0.472 339 A N 1.420 124.352 122.820 0.187 0.000 1.902 339 A HA 0.059 4.379 4.320 0.000 0.000 0.217 339 A C 1.969 179.704 177.584 0.252 0.000 1.181 339 A CA 1.464 53.622 52.037 0.202 0.000 0.623 339 A CB -1.099 18.000 19.000 0.164 0.000 0.818 339 A HN 0.636 nan 8.150 nan 0.000 0.443 340 F N -0.895 119.109 119.950 0.091 0.000 2.134 340 F HA -0.169 4.358 4.527 0.000 0.000 0.299 340 F C 1.981 177.697 175.800 -0.140 0.000 1.097 340 F CA 1.620 59.551 58.000 -0.116 0.000 1.264 340 F CB -0.506 38.296 39.000 -0.330 0.000 1.001 340 F HN 0.387 nan 8.300 nan 0.000 0.479 341 W N -1.056 120.160 121.300 -0.140 0.000 2.381 341 W HA -0.191 4.469 4.660 0.000 0.000 0.301 341 W C 2.496 178.922 176.519 -0.155 0.000 1.205 341 W CA 1.237 58.432 57.345 -0.250 0.000 1.285 341 W CB -0.919 28.535 29.460 -0.009 0.000 1.133 341 W HN 0.214 nan 8.180 nan 0.000 0.521 342 Y N 1.310 121.678 120.300 0.113 0.000 2.128 342 Y HA -0.283 4.267 4.550 0.000 0.000 0.284 342 Y C 2.311 178.208 175.900 -0.005 0.000 1.154 342 Y CA 2.289 60.420 58.100 0.052 0.000 1.149 342 Y CB -0.895 37.592 38.460 0.044 0.000 0.976 342 Y HN -0.091 nan 8.280 nan 0.000 0.505 343 A N -0.340 122.456 122.820 -0.040 0.000 1.883 343 A HA -0.181 4.139 4.320 0.000 0.000 0.217 343 A C 2.299 179.743 177.584 -0.233 0.000 1.186 343 A CA 2.384 54.341 52.037 -0.133 0.000 0.624 343 A CB -1.344 17.641 19.000 -0.025 0.000 0.822 343 A HN 0.370 nan 8.150 nan 0.000 0.444 344 V N -0.150 119.585 119.914 -0.297 0.000 2.453 344 V HA -0.173 3.947 4.120 0.000 0.000 0.247 344 V C 2.584 178.633 176.094 -0.075 0.000 1.048 344 V CA 1.849 64.029 62.300 -0.199 0.000 1.049 344 V CB -0.829 30.793 31.823 -0.336 0.000 0.672 344 V HN 0.612 nan 8.190 nan 0.000 0.457 345 R N 0.363 120.821 120.500 -0.070 0.000 2.094 345 R HA -0.206 4.134 4.340 0.000 0.000 0.239 345 R C 2.327 178.560 176.300 -0.112 0.000 1.137 345 R CA 2.422 58.501 56.100 -0.035 0.000 0.943 345 R CB -0.607 29.672 30.300 -0.034 0.000 0.850 345 R HN 0.544 nan 8.270 nan 0.000 0.433 346 T N 0.677 115.070 114.554 -0.269 0.000 2.777 346 T HA -0.081 4.269 4.350 0.000 0.000 0.266 346 T C 1.861 176.478 174.700 -0.139 0.000 1.040 346 T CA 1.307 63.246 62.100 -0.269 0.000 1.141 346 T CB -0.314 68.247 68.868 -0.511 0.000 0.868 346 T HN 0.459 nan 8.240 nan 0.000 0.444 347 A N 1.179 123.928 122.820 -0.119 0.000 1.877 347 A HA -0.067 4.253 4.320 0.000 0.000 0.216 347 A C 2.609 180.177 177.584 -0.027 0.000 1.186 347 A CA 1.534 53.537 52.037 -0.056 0.000 0.620 347 A CB -1.124 17.852 19.000 -0.040 0.000 0.822 347 A HN 0.343 nan 8.150 nan 0.000 0.443 348 V N 0.172 120.080 119.914 -0.009 0.000 2.295 348 V HA -0.277 3.843 4.120 0.000 0.000 0.246 348 V C 2.433 178.525 176.094 -0.004 0.000 1.049 348 V CA 2.059 64.367 62.300 0.013 0.000 1.024 348 V CB -0.707 31.152 31.823 0.061 0.000 0.648 348 V HN 0.565 nan 8.190 nan 0.000 0.447 349 I N 0.447 121.008 120.570 -0.015 0.000 2.226 349 I HA -0.228 3.942 4.170 0.000 0.000 0.245 349 I C 2.355 178.458 176.117 -0.023 0.000 1.100 349 I CA 1.515 62.803 61.300 -0.020 0.000 1.374 349 I CB -0.438 37.547 38.000 -0.026 0.000 1.057 349 I HN 0.366 nan 8.210 nan 0.000 0.413 350 N N 0.931 119.616 118.700 -0.027 0.000 2.216 350 N HA -0.075 4.665 4.740 0.000 0.000 0.183 350 N C 1.835 177.333 175.510 -0.019 0.000 1.017 350 N CA 1.501 54.539 53.050 -0.021 0.000 0.861 350 N CB -0.336 38.139 38.487 -0.020 0.000 0.986 350 N HN 0.331 nan 8.380 nan 0.000 0.428 351 A N 0.759 123.568 122.820 -0.018 0.000 1.929 351 A HA 0.152 4.472 4.320 0.000 0.000 0.216 351 A C 2.287 179.858 177.584 -0.022 0.000 1.176 351 A CA 1.585 53.612 52.037 -0.018 0.000 0.628 351 A CB -0.711 18.280 19.000 -0.014 0.000 0.816 351 A HN 0.278 nan 8.150 nan 0.000 0.444 352 A N 0.397 123.203 122.820 -0.023 0.000 1.972 352 A HA -0.072 4.248 4.320 0.000 0.000 0.219 352 A C 2.418 179.982 177.584 -0.033 0.000 1.169 352 A CA 2.158 54.177 52.037 -0.031 0.000 0.635 352 A CB -0.794 18.187 19.000 -0.032 0.000 0.810 352 A HN 0.969 nan 8.150 nan 0.000 0.446 353 S N -1.965 113.719 115.700 -0.028 0.000 2.489 353 S HA 0.329 4.799 4.470 0.000 0.000 0.228 353 S C 1.530 176.114 174.600 -0.025 0.000 0.995 353 S CA 1.158 59.342 58.200 -0.027 0.000 0.934 353 S CB -0.382 62.804 63.200 -0.023 0.000 0.771 353 S HN 1.924 nan 8.310 nan 0.000 0.522 354 G N 1.568 110.353 108.800 -0.024 0.000 2.143 354 G HA2 -0.336 3.624 3.960 0.000 0.000 0.249 354 G HA3 -0.336 3.624 3.960 0.000 0.000 0.249 354 G C 0.760 175.649 174.900 -0.019 0.000 0.981 354 G CA 0.438 45.524 45.100 -0.022 0.000 0.665 354 G HN 0.563 nan 8.290 nan 0.000 0.528 355 R N -0.589 119.901 120.500 -0.018 0.000 2.115 355 R HA 0.166 4.506 4.340 0.000 0.000 0.226 355 R C 1.160 177.451 176.300 -0.015 0.000 1.100 355 R CA 1.837 57.928 56.100 -0.015 0.000 0.980 355 R CB 0.056 30.349 30.300 -0.012 0.000 0.875 355 R HN 0.469 nan 8.270 nan 0.000 0.445 356 Q N -0.558 119.234 119.800 -0.014 0.000 2.456 356 Q HA 0.196 4.536 4.340 0.000 0.000 0.283 356 Q C -1.171 174.822 176.000 -0.012 0.000 1.084 356 Q CA -0.733 55.063 55.803 -0.013 0.000 0.801 356 Q CB 2.053 30.785 28.738 -0.010 0.000 1.434 356 Q HN 0.140 nan 8.270 nan 0.000 0.419 357 T N -1.479 113.070 114.554 -0.009 0.000 2.813 357 T HA 0.245 4.595 4.350 0.000 0.000 0.297 357 T C 1.045 175.742 174.700 -0.005 0.000 1.036 357 T CA -0.199 61.897 62.100 -0.007 0.000 1.044 357 T CB 0.521 69.387 68.868 -0.004 0.000 0.993 357 T HN 0.362 nan 8.240 nan 0.000 0.535 358 V N 1.667 121.579 119.914 -0.004 0.000 2.295 358 V HA -0.133 3.987 4.120 0.000 0.000 0.246 358 V C 2.406 178.502 176.094 0.002 0.000 1.049 358 V CA 2.299 64.597 62.300 -0.002 0.000 1.024 358 V CB -1.030 30.792 31.823 -0.001 0.000 0.648 358 V HN 0.917 nan 8.190 nan 0.000 0.447 359 D N 0.615 121.019 120.400 0.006 0.000 2.097 359 D HA -0.117 4.523 4.640 0.000 0.000 0.195 359 D C 2.170 178.477 176.300 0.012 0.000 0.989 359 D CA 1.540 55.547 54.000 0.010 0.000 0.827 359 D CB -0.358 40.449 40.800 0.012 0.000 0.966 359 D HN 0.441 nan 8.370 nan 0.000 0.456 360 A N 0.753 123.578 122.820 0.009 0.000 1.930 360 A HA 0.042 4.362 4.320 0.000 0.000 0.217 360 A C 2.239 179.830 177.584 0.011 0.000 1.175 360 A CA 1.806 53.849 52.037 0.011 0.000 0.627 360 A CB -0.860 18.143 19.000 0.004 0.000 0.815 360 A HN 0.233 nan 8.150 nan 0.000 0.443 361 A N -0.226 122.596 122.820 0.005 0.000 1.877 361 A HA -0.031 4.289 4.320 0.000 0.000 0.216 361 A C 2.159 179.745 177.584 0.003 0.000 1.186 361 A CA 1.529 53.566 52.037 0.000 0.000 0.620 361 A CB -0.574 18.422 19.000 -0.007 0.000 0.822 361 A HN 0.458 nan 8.150 nan 0.000 0.443 362 L N -1.022 120.205 121.223 0.006 0.000 2.179 362 L HA -0.085 4.255 4.340 0.000 0.000 0.208 362 L C 3.049 179.929 176.870 0.016 0.000 1.096 362 L CA 0.753 55.599 54.840 0.010 0.000 0.779 362 L CB -0.481 41.583 42.059 0.009 0.000 0.922 362 L HN 0.438 nan 8.230 nan 0.000 0.443 363 A N 0.297 123.130 122.820 0.022 0.000 1.902 363 A HA -0.175 4.145 4.320 0.000 0.000 0.217 363 A C 2.527 180.136 177.584 0.043 0.000 1.181 363 A CA 1.738 53.796 52.037 0.034 0.000 0.623 363 A CB -0.618 18.405 19.000 0.037 0.000 0.818 363 A HN 0.385 nan 8.150 nan 0.000 0.443 364 A N -0.203 122.640 122.820 0.038 0.000 1.930 364 A HA 0.195 4.515 4.320 0.000 0.000 0.217 364 A C 2.479 180.091 177.584 0.047 0.000 1.175 364 A CA 1.924 53.989 52.037 0.047 0.000 0.627 364 A CB -0.945 18.080 19.000 0.042 0.000 0.815 364 A HN 1.047 nan 8.150 nan 0.000 0.443 365 A N -0.356 122.479 122.820 0.025 0.000 1.933 365 A HA -0.207 4.113 4.320 0.000 0.000 0.218 365 A C 2.148 179.750 177.584 0.031 0.000 1.175 365 A CA 2.174 54.218 52.037 0.011 0.000 0.628 365 A CB -0.549 18.439 19.000 -0.019 0.000 0.814 365 A HN 0.629 nan 8.150 nan 0.000 0.444 366 Q N -0.024 119.796 119.800 0.034 0.000 2.030 366 Q HA -0.156 4.184 4.340 0.000 0.000 0.204 366 Q C 1.880 177.922 176.000 0.070 0.000 0.986 366 Q CA 2.972 58.802 55.803 0.044 0.000 0.843 366 Q CB -1.128 27.635 28.738 0.042 0.000 0.904 366 Q HN 0.508 nan 8.270 nan 0.000 0.420 367 T N 1.034 115.628 114.554 0.067 0.000 2.746 367 T HA -0.089 4.261 4.350 0.000 0.000 0.267 367 T C 1.594 176.337 174.700 0.072 0.000 1.039 367 T CA 1.196 63.332 62.100 0.061 0.000 1.142 367 T CB -0.400 68.499 68.868 0.052 0.000 0.866 367 T HN 0.333 nan 8.240 nan 0.000 0.444 368 N N 1.433 120.190 118.700 0.094 0.000 2.069 368 N HA -0.037 4.703 4.740 0.000 0.000 0.191 368 N C 2.147 177.748 175.510 0.150 0.000 1.031 368 N CA 1.534 54.666 53.050 0.137 0.000 0.852 368 N CB -0.629 37.982 38.487 0.207 0.000 1.018 368 N HN 0.432 nan 8.380 nan 0.000 0.423 369 A N 0.570 123.480 122.820 0.150 0.000 1.902 369 A HA 0.040 4.361 4.320 0.000 0.000 0.217 369 A C 2.299 180.041 177.584 0.263 0.000 1.181 369 A CA 1.993 54.157 52.037 0.212 0.000 0.623 369 A CB -0.713 18.386 19.000 0.164 0.000 0.818 369 A HN 0.346 nan 8.150 nan 0.000 0.443 370 A N -1.224 121.715 122.820 0.198 0.000 1.930 370 A HA 0.415 4.735 4.320 0.000 0.000 0.215 370 A C 2.091 179.737 177.584 0.104 0.000 1.176 370 A CA 1.815 53.964 52.037 0.186 0.000 0.632 370 A CB -0.379 18.708 19.000 0.146 0.000 0.819 370 A HN 1.164 nan 8.150 nan 0.000 0.445 371 A N -1.714 121.145 122.820 0.065 0.000 2.498 371 A HA 0.555 4.875 4.320 0.000 0.000 0.238 371 A C 0.115 177.708 177.584 0.015 0.000 1.225 371 A CA 0.213 52.258 52.037 0.014 0.000 0.978 371 A CB 0.603 19.576 19.000 -0.047 0.000 1.142 371 A HN 0.280 nan 8.150 nan 0.000 0.552 372 V N 0.559 120.496 119.914 0.038 0.000 2.680 372 V HA 0.447 4.567 4.120 0.000 0.000 0.309 372 V C -0.580 175.510 176.094 -0.005 0.000 1.052 372 V CA -0.704 61.607 62.300 0.018 0.000 0.908 372 V CB 1.867 33.705 31.823 0.026 0.000 1.001 372 V HN 0.291 nan 8.190 nan 0.000 0.431 373 K N 2.636 123.010 120.400 -0.044 0.000 2.463 373 K HA 0.685 5.005 4.320 0.000 0.000 0.255 373 K C -1.519 174.988 176.600 -0.156 0.000 0.942 373 K CA -0.552 55.681 56.287 -0.090 0.000 0.814 373 K CB 2.357 34.829 32.500 -0.047 0.000 1.122 373 K HN 0.469 nan 8.250 nan 0.000 0.425 374 V N 2.753 122.483 119.914 -0.307 0.000 2.398 374 V HA 0.291 4.411 4.120 0.000 0.000 0.286 374 V C -0.276 175.683 176.094 -0.225 0.000 1.026 374 V CA -0.633 61.466 62.300 -0.335 0.000 0.868 374 V CB 1.400 32.820 31.823 -0.673 0.000 0.982 374 V HN 0.740 nan 8.190 nan 0.000 0.443 375 E N 3.404 123.527 120.200 -0.129 0.000 2.191 375 E HA 0.441 4.791 4.350 0.000 0.000 0.263 375 E C -1.463 175.106 176.600 -0.051 0.000 0.881 375 E CA -0.519 55.831 56.400 -0.082 0.000 0.757 375 E CB 1.391 31.059 29.700 -0.054 0.000 1.147 375 E HN 0.761 nan 8.360 nan 0.000 0.414 376 c N 6.148 124.719 118.600 -0.047 0.000 2.255 376 c HA 0.506 5.076 4.570 0.000 0.000 0.326 376 c C 0.260 174.395 174.090 0.074 0.000 1.258 376 c CA -0.665 55.668 56.329 0.006 0.000 1.676 376 c CB -1.060 41.377 42.510 -0.122 0.000 2.314 376 c HN 0.654 nan 8.230 nan 0.000 0.509 377 L N 1.696 122.986 121.223 0.110 0.000 2.391 377 L HA 0.451 4.791 4.340 0.000 0.000 0.266 377 L C 1.596 178.524 176.870 0.097 0.000 1.035 377 L CA -0.708 54.184 54.840 0.087 0.000 0.877 377 L CB 0.293 42.365 42.059 0.021 0.000 1.504 377 L HN 0.604 nan 8.230 nan 0.000 0.503 378 E N 0.555 120.761 120.200 0.009 0.000 2.002 378 E HA -0.263 4.087 4.350 0.000 0.000 0.213 378 E C 1.227 177.697 176.600 -0.216 0.000 1.024 378 E CA 2.021 58.370 56.400 -0.085 0.000 0.876 378 E CB -0.137 29.517 29.700 -0.075 0.000 0.799 378 E HN 0.678 nan 8.360 nan 0.000 0.497 379 A N 0.182 122.902 122.820 -0.166 0.000 2.423 379 A HA 0.136 4.457 4.320 0.000 0.000 0.246 379 A C 0.291 177.794 177.584 -0.135 0.000 1.278 379 A CA -0.125 51.791 52.037 -0.202 0.000 0.903 379 A CB 0.350 19.261 19.000 -0.149 0.000 0.997 379 A HN 0.171 nan 8.150 nan 0.000 0.510 380 E N -0.583 119.569 120.200 -0.080 0.000 2.336 380 E HA 0.609 4.959 4.350 0.000 0.000 0.267 380 E C -2.010 174.590 176.600 -0.001 0.000 0.906 380 E CA -0.760 55.618 56.400 -0.036 0.000 0.781 380 E CB 1.918 31.603 29.700 -0.026 0.000 1.261 380 E HN 0.207 nan 8.360 nan 0.000 0.436 381 L N 2.513 123.737 121.223 0.001 0.000 2.408 381 L HA 0.509 4.849 4.340 0.000 0.000 0.268 381 L C -1.882 174.994 176.870 0.011 0.000 0.986 381 L CA -0.654 54.192 54.840 0.009 0.000 0.820 381 L CB 1.965 44.027 42.059 0.005 0.000 1.303 381 L HN 0.287 nan 8.230 nan 0.000 0.411 382 V N 5.234 125.149 119.914 0.002 0.000 2.444 382 V HA 0.604 4.724 4.120 0.000 0.000 0.294 382 V C -0.663 175.436 176.094 0.008 0.000 1.022 382 V CA -0.657 61.652 62.300 0.016 0.000 0.850 382 V CB 1.779 33.603 31.823 0.001 0.000 0.992 382 V HN 0.538 nan 8.190 nan 0.000 0.426 383 V N 3.629 123.583 119.914 0.068 0.000 2.378 383 V HA 0.482 4.602 4.120 0.000 0.000 0.288 383 V C 0.154 176.336 176.094 0.146 0.000 1.016 383 V CA -0.307 62.030 62.300 0.062 0.000 0.840 383 V CB 1.890 33.724 31.823 0.018 0.000 0.994 383 V HN 0.912 nan 8.190 nan 0.000 0.431 384 T N 4.657 119.249 114.554 0.064 0.000 2.758 384 T HA 0.571 4.921 4.350 0.000 0.000 0.285 384 T C -0.268 174.466 174.700 0.058 0.000 0.981 384 T CA -0.374 61.763 62.100 0.061 0.000 0.965 384 T CB 1.423 70.298 68.868 0.012 0.000 0.927 384 T HN 0.364 nan 8.240 nan 0.000 0.448 385 V N 2.843 122.809 119.914 0.087 0.000 2.417 385 V HA 0.424 4.544 4.120 0.000 0.000 0.291 385 V C 0.604 176.705 176.094 0.011 0.000 1.024 385 V CA -0.942 61.393 62.300 0.059 0.000 0.861 385 V CB 1.748 33.642 31.823 0.119 0.000 0.985 385 V HN 0.926 nan 8.190 nan 0.000 0.436 386 S N 3.946 119.635 115.700 -0.018 0.000 2.525 386 S HA 0.140 4.610 4.470 0.000 0.000 0.285 386 S C 1.387 175.944 174.600 -0.072 0.000 1.283 386 S CA -0.156 58.022 58.200 -0.037 0.000 1.072 386 S CB 0.195 63.373 63.200 -0.035 0.000 0.867 386 S HN 0.714 nan 8.310 nan 0.000 0.492 387 R N 2.748 123.215 120.500 -0.055 0.000 2.115 387 R HA -0.038 4.302 4.340 0.000 0.000 0.226 387 R C 0.392 176.638 176.300 -0.090 0.000 1.100 387 R CA 1.006 57.066 56.100 -0.066 0.000 0.980 387 R CB -0.146 30.137 30.300 -0.028 0.000 0.875 387 R HN 0.599 nan 8.270 nan 0.000 0.445 388 D N 1.099 121.461 120.400 -0.064 0.000 2.671 388 D HA -0.024 4.616 4.640 0.000 0.000 0.228 388 D C 0.866 177.089 176.300 -0.128 0.000 1.102 388 D CA -0.086 53.884 54.000 -0.050 0.000 1.044 388 D CB 0.274 41.071 40.800 -0.005 0.000 1.113 388 D HN -0.056 nan 8.370 nan 0.000 0.480 389 L N 1.584 122.613 121.223 -0.324 0.000 2.141 389 L HA -0.003 4.337 4.340 0.000 0.000 0.209 389 L C 1.037 177.568 176.870 -0.565 0.000 1.094 389 L CA 1.736 56.230 54.840 -0.576 0.000 0.763 389 L CB -0.296 41.137 42.059 -1.042 0.000 0.908 389 L HN 0.303 nan 8.230 nan 0.000 0.437 390 F N -1.233 118.711 119.950 -0.010 0.000 2.678 390 F HA 0.437 4.964 4.527 0.000 0.000 0.291 390 F C 1.948 177.766 175.800 0.030 0.000 1.123 390 F CA 0.424 58.433 58.000 0.015 0.000 1.395 390 F CB -0.340 38.669 39.000 0.015 0.000 1.121 390 F HN 0.064 nan 8.300 nan 0.000 0.592 391 G N -0.265 108.633 108.800 0.162 0.000 2.179 391 G HA2 -0.283 3.677 3.960 0.000 0.000 0.220 391 G HA3 -0.283 3.677 3.960 0.000 0.000 0.220 391 G C 1.079 176.050 174.900 0.118 0.000 0.990 391 G CA 0.530 45.701 45.100 0.119 0.000 0.646 391 G HN 0.237 nan 8.290 nan 0.000 0.517 392 T N 0.119 114.768 114.554 0.158 0.000 2.915 392 T HA 0.314 4.664 4.350 0.000 0.000 0.269 392 T C 2.447 177.198 174.700 0.086 0.000 1.071 392 T CA 2.344 64.514 62.100 0.117 0.000 1.132 392 T CB -0.259 68.686 68.868 0.128 0.000 0.878 392 T HN 2.054 nan 8.240 nan 0.000 0.479 393 G N 1.296 110.147 108.800 0.085 0.000 2.213 393 G HA2 -0.248 3.712 3.960 0.000 0.000 0.236 393 G HA3 -0.248 3.712 3.960 0.000 0.000 0.236 393 G C 0.177 175.116 174.900 0.065 0.000 0.991 393 G CA 0.101 45.237 45.100 0.060 0.000 0.629 393 G HN 0.578 nan 8.290 nan 0.000 0.517 394 K N 1.465 121.921 120.400 0.093 0.000 2.310 394 K HA 0.554 4.874 4.320 0.000 0.000 0.290 394 K C 0.578 177.242 176.600 0.107 0.000 1.077 394 K CA -0.612 55.735 56.287 0.100 0.000 0.922 394 K CB 0.003 32.573 32.500 0.118 0.000 1.057 394 K HN 0.268 nan 8.250 nan 0.000 0.479 395 L N 5.715 126.980 121.223 0.071 0.000 2.331 395 L HA 0.167 4.507 4.340 0.000 0.000 0.278 395 L C 0.559 177.468 176.870 0.064 0.000 1.106 395 L CA -0.932 53.935 54.840 0.045 0.000 0.824 395 L CB 0.917 42.994 42.059 0.029 0.000 1.142 395 L HN 0.439 nan 8.230 nan 0.000 0.443 396 V N 1.380 121.311 119.914 0.028 0.000 2.924 396 V HA 0.174 4.294 4.120 0.000 0.000 0.305 396 V C 0.087 176.242 176.094 0.101 0.000 1.073 396 V CA -0.638 61.708 62.300 0.076 0.000 1.098 396 V CB 0.691 32.455 31.823 -0.098 0.000 1.000 396 V HN 0.824 nan 8.190 nan 0.000 0.484 397 Q N 4.240 124.137 119.800 0.161 0.000 2.230 397 Q HA 0.374 4.714 4.340 0.000 0.000 0.253 397 Q C -1.623 174.450 176.000 0.122 0.000 0.919 397 Q CA -1.832 54.038 55.803 0.112 0.000 0.908 397 Q CB 1.833 30.631 28.738 0.100 0.000 1.245 397 Q HN 0.632 nan 8.270 nan 0.000 0.437 398 P HA -0.181 nan 4.420 nan 0.000 0.218 398 P C 1.015 178.372 177.300 0.095 0.000 1.148 398 P CA 1.379 64.512 63.100 0.055 0.000 0.822 398 P CB 0.122 31.804 31.700 -0.029 0.000 0.784 399 G N 0.307 109.152 108.800 0.075 0.000 2.470 399 G HA2 -0.199 3.761 3.960 0.000 0.000 0.220 399 G HA3 -0.199 3.761 3.960 0.000 0.000 0.220 399 G C 1.055 176.007 174.900 0.087 0.000 1.121 399 G CA 0.596 45.740 45.100 0.073 0.000 0.766 399 G HN 0.204 nan 8.290 nan 0.000 0.553 400 D N -0.156 120.307 120.400 0.106 0.000 2.349 400 D HA 0.116 4.756 4.640 0.000 0.000 0.215 400 D C 0.819 177.191 176.300 0.120 0.000 1.016 400 D CA 0.129 54.163 54.000 0.057 0.000 0.870 400 D CB 0.443 41.245 40.800 0.003 0.000 0.917 400 D HN 0.237 nan 8.370 nan 0.000 0.524 401 L N 0.446 121.811 121.223 0.237 0.000 2.295 401 L HA 0.366 4.706 4.340 0.000 0.000 0.285 401 L C -0.051 176.978 176.870 0.264 0.000 1.035 401 L CA -0.067 54.953 54.840 0.300 0.000 0.806 401 L CB 1.914 44.241 42.059 0.448 0.000 1.214 401 L HN -0.303 nan 8.230 nan 0.000 0.426 402 T N 3.747 118.368 114.554 0.111 0.000 2.921 402 T HA 0.423 4.774 4.350 0.000 0.000 0.297 402 T C -0.986 173.597 174.700 -0.196 0.000 1.013 402 T CA -0.426 61.688 62.100 0.023 0.000 0.990 402 T CB 1.985 70.890 68.868 0.062 0.000 1.023 402 T HN 0.202 nan 8.240 nan 0.000 0.447 403 L N 3.768 124.785 121.223 -0.343 0.000 2.272 403 L HA 0.712 5.052 4.340 0.000 0.000 0.289 403 L C 0.804 177.400 176.870 -0.457 0.000 1.032 403 L CA 1.085 55.627 54.840 -0.497 0.000 0.810 403 L CB 0.029 41.715 42.059 -0.622 0.000 1.205 403 L HN 1.003 nan 8.230 nan 0.000 0.422 404 G N 3.415 111.719 108.800 -0.827 0.000 2.601 404 G HA2 -0.256 3.704 3.960 0.000 0.000 0.261 404 G HA3 -0.256 3.704 3.960 0.000 0.000 0.261 404 G C -0.071 174.468 174.900 -0.603 0.000 1.289 404 G CA 0.023 44.506 45.100 -1.030 0.000 0.920 404 G HN 1.230 nan 8.290 nan 0.000 0.571 405 S N -1.097 114.456 115.700 -0.245 0.000 2.666 405 S HA 0.592 5.062 4.470 0.000 0.000 0.279 405 S C 1.203 175.799 174.600 -0.007 0.000 1.149 405 S CA 0.817 59.024 58.200 0.013 0.000 1.020 405 S CB 1.384 64.635 63.200 0.084 0.000 1.127 405 S HN 0.781 nan 8.310 nan 0.000 0.537 406 E N 0.614 120.832 120.200 0.029 0.000 2.153 406 E HA 0.091 4.441 4.350 0.000 0.000 0.194 406 E C 2.013 178.619 176.600 0.010 0.000 0.988 406 E CA 1.328 57.742 56.400 0.023 0.000 0.811 406 E CB -0.944 28.774 29.700 0.031 0.000 0.746 406 E HN 0.797 nan 8.360 nan 0.000 0.466 407 G N -0.082 108.720 108.800 0.003 0.000 2.471 407 G HA2 -0.209 3.751 3.960 0.000 0.000 0.219 407 G HA3 -0.209 3.751 3.960 0.000 0.000 0.219 407 G C 0.508 175.402 174.900 -0.009 0.000 1.125 407 G CA 0.346 45.446 45.100 -0.000 0.000 0.775 407 G HN 0.393 nan 8.290 nan 0.000 0.548 408 c N 1.694 120.276 118.600 -0.030 0.000 2.540 408 c HA 0.508 5.078 4.570 0.000 0.000 0.377 408 c C 0.363 174.448 174.090 -0.008 0.000 1.274 408 c CA -0.573 55.733 56.329 -0.039 0.000 1.718 408 c CB -1.098 41.351 42.510 -0.101 0.000 2.391 408 c HN 0.489 nan 8.230 nan 0.000 0.565 409 Q N 6.867 126.674 119.800 0.012 0.000 2.849 409 Q HA 0.306 4.646 4.340 0.000 0.000 0.289 409 Q C -2.102 173.925 176.000 0.044 0.000 1.012 409 Q CA -1.143 54.679 55.803 0.031 0.000 0.899 409 Q CB 1.146 29.899 28.738 0.025 0.000 1.235 409 Q HN 0.693 nan 8.270 nan 0.000 0.457 410 P HA 0.103 nan 4.420 nan 0.000 0.276 410 P C -0.540 176.803 177.300 0.071 0.000 1.244 410 P CA -0.543 62.616 63.100 0.098 0.000 0.801 410 P CB 1.012 32.837 31.700 0.208 0.000 1.006 411 R N 0.908 121.430 120.500 0.036 0.000 2.442 411 R HA 0.312 4.652 4.340 0.000 0.000 0.291 411 R C -0.946 175.313 176.300 -0.068 0.000 1.069 411 R CA -0.255 55.838 56.100 -0.012 0.000 1.022 411 R CB 0.206 30.495 30.300 -0.019 0.000 0.976 411 R HN 0.278 nan 8.270 nan 0.000 0.443 412 V N 3.539 123.372 119.914 -0.134 0.000 2.409 412 V HA 0.282 4.402 4.120 0.000 0.000 0.291 412 V C -0.442 175.515 176.094 -0.227 0.000 1.020 412 V CA -0.571 61.544 62.300 -0.308 0.000 0.848 412 V CB 1.867 33.462 31.823 -0.379 0.000 0.990 412 V HN 0.783 nan 8.190 nan 0.000 0.430 413 S N 3.519 119.073 115.700 -0.242 0.000 2.503 413 S HA 0.805 5.276 4.470 0.000 0.000 0.301 413 S C -0.536 173.966 174.600 -0.163 0.000 1.087 413 S CA -0.683 57.423 58.200 -0.157 0.000 1.042 413 S CB 2.106 65.239 63.200 -0.112 0.000 1.043 413 S HN 0.461 nan 8.310 nan 0.000 0.489 414 V N 2.732 122.579 119.914 -0.111 0.000 2.588 414 V HA 0.512 4.632 4.120 0.000 0.000 0.304 414 V C -0.862 175.197 176.094 -0.059 0.000 1.042 414 V CA -0.857 61.390 62.300 -0.089 0.000 0.877 414 V CB 1.936 33.714 31.823 -0.074 0.000 0.996 414 V HN 0.773 nan 8.190 nan 0.000 0.425 415 D N 1.265 121.635 120.400 -0.049 0.000 2.506 415 D HA 0.368 5.008 4.640 0.000 0.000 0.254 415 D C 1.424 177.709 176.300 -0.026 0.000 1.089 415 D CA 0.071 54.051 54.000 -0.034 0.000 1.050 415 D CB 1.527 42.308 40.800 -0.031 0.000 1.221 415 D HN 0.649 nan 8.370 nan 0.000 0.589 416 T N -2.187 112.356 114.554 -0.018 0.000 2.759 416 T HA -0.204 4.146 4.350 0.000 0.000 0.269 416 T C 0.874 175.568 174.700 -0.011 0.000 1.042 416 T CA 1.677 63.770 62.100 -0.012 0.000 1.140 416 T CB -0.137 68.727 68.868 -0.008 0.000 0.864 416 T HN 0.465 nan 8.240 nan 0.000 0.455 417 D N 1.015 121.407 120.400 -0.014 0.000 2.454 417 D HA 0.157 4.797 4.640 0.000 0.000 0.214 417 D C 0.738 177.027 176.300 -0.018 0.000 1.088 417 D CA 0.134 54.126 54.000 -0.013 0.000 0.855 417 D CB -0.074 40.720 40.800 -0.010 0.000 1.025 417 D HN 0.592 nan 8.370 nan 0.000 0.502 418 V N -1.962 117.939 119.914 -0.023 0.000 2.962 418 V HA 0.742 4.862 4.120 0.000 0.000 0.313 418 V C -0.604 175.466 176.094 -0.039 0.000 1.099 418 V CA -1.120 61.166 62.300 -0.024 0.000 0.971 418 V CB 2.346 34.157 31.823 -0.020 0.000 1.028 418 V HN -0.154 nan 8.190 nan 0.000 0.430 419 V N 3.176 123.069 119.914 -0.036 0.000 2.459 419 V HA 0.629 4.749 4.120 0.000 0.000 0.295 419 V C 0.044 176.072 176.094 -0.111 0.000 1.029 419 V CA -0.528 61.709 62.300 -0.105 0.000 0.874 419 V CB 1.551 33.315 31.823 -0.099 0.000 0.985 419 V HN 1.029 nan 8.190 nan 0.000 0.438 420 R N 3.781 124.151 120.500 -0.215 0.000 2.393 420 R HA 0.565 4.905 4.340 0.000 0.000 0.315 420 R C -1.752 174.384 176.300 -0.274 0.000 0.952 420 R CA -0.496 55.527 56.100 -0.129 0.000 0.842 420 R CB 1.017 31.270 30.300 -0.079 0.000 1.163 420 R HN 0.538 nan 8.270 nan 0.000 0.450 421 F N 2.930 122.863 119.950 -0.028 0.000 2.404 421 F HA 0.356 4.883 4.527 0.000 0.000 0.354 421 F C -0.061 175.719 175.800 -0.033 0.000 1.122 421 F CA -0.710 57.272 58.000 -0.029 0.000 1.080 421 F CB 1.643 40.624 39.000 -0.032 0.000 1.131 421 F HN 0.465 nan 8.300 nan 0.000 0.471 422 N N 2.649 121.409 118.700 0.100 0.000 2.501 422 N HA 0.630 5.370 4.740 0.000 0.000 0.245 422 N C -1.005 174.541 175.510 0.060 0.000 0.974 422 N CA -0.328 52.756 53.050 0.056 0.000 0.941 422 N CB 1.361 39.854 38.487 0.011 0.000 1.122 422 N HN 0.642 nan 8.380 nan 0.000 0.507 423 A N 1.742 124.593 122.820 0.051 0.000 2.365 423 A HA 0.509 4.829 4.320 0.000 0.000 0.318 423 A C -0.751 176.837 177.584 0.008 0.000 1.091 423 A CA -0.828 51.230 52.037 0.035 0.000 0.763 423 A CB 0.985 19.999 19.000 0.024 0.000 1.248 423 A HN 0.376 nan 8.150 nan 0.000 0.442 424 Q N 1.809 121.613 119.800 0.005 0.000 2.295 424 Q HA 0.170 4.510 4.340 0.000 0.000 0.259 424 Q C 0.724 176.721 176.000 -0.005 0.000 0.976 424 Q CA -0.441 55.361 55.803 -0.001 0.000 0.923 424 Q CB 1.335 30.083 28.738 0.016 0.000 1.185 424 Q HN 0.740 nan 8.270 nan 0.000 0.410 425 L N 3.022 124.221 121.223 -0.039 0.000 2.079 425 L HA -0.230 4.110 4.340 0.000 0.000 0.210 425 L C 2.099 178.962 176.870 -0.013 0.000 1.081 425 L CA 2.072 56.868 54.840 -0.073 0.000 0.752 425 L CB -0.636 41.278 42.059 -0.241 0.000 0.896 425 L HN 0.811 nan 8.230 nan 0.000 0.433 426 H N -0.328 118.701 119.070 -0.067 0.000 2.357 426 H HA -0.172 4.384 4.556 0.000 0.000 0.301 426 H C 2.095 177.429 175.328 0.011 0.000 1.082 426 H CA 2.004 58.046 56.048 -0.010 0.000 1.342 426 H CB 0.132 29.881 29.762 -0.021 0.000 1.389 426 H HN 0.636 nan 8.280 nan 0.000 0.511 427 E N -1.453 118.751 120.200 0.008 0.000 2.385 427 E HA -0.010 4.340 4.350 0.000 0.000 0.194 427 E C 1.265 177.827 176.600 -0.064 0.000 1.013 427 E CA 0.861 57.236 56.400 -0.042 0.000 0.866 427 E CB -0.182 29.544 29.700 0.043 0.000 0.832 427 E HN 0.386 nan 8.360 nan 0.000 0.500 428 c N 0.881 119.450 118.600 -0.053 0.000 2.926 428 c HA 0.291 4.861 4.570 0.000 0.000 0.272 428 c C 0.740 174.789 174.090 -0.069 0.000 1.249 428 c CA -0.432 55.852 56.329 -0.076 0.000 1.691 428 c CB -0.518 41.947 42.510 -0.074 0.000 1.983 428 c HN 0.223 nan 8.230 nan 0.000 0.615 429 S N 1.787 117.475 115.700 -0.020 0.000 2.414 429 S HA 0.075 4.545 4.470 0.000 0.000 0.290 429 S C 1.177 175.786 174.600 0.015 0.000 1.160 429 S CA -0.029 58.199 58.200 0.046 0.000 1.069 429 S CB 0.753 64.052 63.200 0.165 0.000 1.012 429 S HN 0.570 nan 8.310 nan 0.000 0.510 430 S N 3.023 118.739 115.700 0.028 0.000 2.428 430 S HA 0.017 4.487 4.470 0.000 0.000 0.230 430 S C 0.924 175.565 174.600 0.068 0.000 1.014 430 S CA 0.687 58.929 58.200 0.070 0.000 0.957 430 S CB 0.076 63.387 63.200 0.185 0.000 0.784 430 S HN 0.734 nan 8.310 nan 0.000 0.499 431 R N 0.625 121.163 120.500 0.064 0.000 2.584 431 R HA 0.504 4.844 4.340 0.000 0.000 0.276 431 R C -1.719 174.583 176.300 0.004 0.000 1.046 431 R CA -0.570 55.552 56.100 0.036 0.000 0.906 431 R CB 1.623 31.952 30.300 0.048 0.000 1.215 431 R HN 0.071 nan 8.270 nan 0.000 0.449 432 V N 1.335 121.219 119.914 -0.049 0.000 2.789 432 V HA 0.724 4.844 4.120 0.000 0.000 0.311 432 V C -1.169 174.845 176.094 -0.133 0.000 1.073 432 V CA -0.522 61.684 62.300 -0.157 0.000 0.921 432 V CB 1.659 33.347 31.823 -0.224 0.000 1.009 432 V HN 1.006 nan 8.190 nan 0.000 0.426 433 Q N 4.081 123.783 119.800 -0.164 0.000 2.575 433 Q HA 0.662 5.002 4.340 0.000 0.000 0.290 433 Q C -1.962 173.976 176.000 -0.103 0.000 0.963 433 Q CA -1.124 54.617 55.803 -0.102 0.000 0.783 433 Q CB 2.672 31.374 28.738 -0.059 0.000 1.467 433 Q HN 0.757 nan 8.270 nan 0.000 0.402 434 M N 2.161 121.723 119.600 -0.063 0.000 2.311 434 M HA 0.397 4.878 4.480 0.000 0.000 0.325 434 M C -0.277 176.008 176.300 -0.024 0.000 1.061 434 M CA -0.723 54.552 55.300 -0.042 0.000 0.957 434 M CB 2.210 34.791 32.600 -0.032 0.000 1.646 434 M HN 0.947 nan 8.290 nan 0.000 0.434 435 T N -1.545 113.001 114.554 -0.013 0.000 2.884 435 T HA 0.347 4.697 4.350 0.000 0.000 0.277 435 T C 0.973 175.674 174.700 0.001 0.000 0.976 435 T CA -0.768 61.329 62.100 -0.006 0.000 0.956 435 T CB 1.615 70.482 68.868 -0.002 0.000 1.113 435 T HN 0.811 nan 8.240 nan 0.000 0.554 436 K N -0.093 120.309 120.400 0.003 0.000 2.074 436 K HA -0.183 4.137 4.320 0.000 0.000 0.209 436 K C 0.928 177.538 176.600 0.017 0.000 1.048 436 K CA 2.116 58.409 56.287 0.009 0.000 0.926 436 K CB -0.255 32.251 32.500 0.010 0.000 0.713 436 K HN 0.590 nan 8.250 nan 0.000 0.444 437 D N -0.932 119.480 120.400 0.020 0.000 2.392 437 D HA 0.195 4.835 4.640 0.000 0.000 0.206 437 D C -0.483 175.839 176.300 0.036 0.000 1.046 437 D CA 0.428 54.444 54.000 0.028 0.000 0.865 437 D CB 1.071 41.888 40.800 0.029 0.000 0.969 437 D HN 0.298 nan 8.370 nan 0.000 0.509 438 A N 0.033 122.874 122.820 0.035 0.000 2.539 438 A HA 0.686 5.006 4.320 0.000 0.000 0.296 438 A C -1.361 176.253 177.584 0.050 0.000 1.073 438 A CA -0.638 51.431 52.037 0.055 0.000 0.700 438 A CB 1.139 20.167 19.000 0.046 0.000 1.296 438 A HN 0.040 nan 8.150 nan 0.000 0.405 439 L N 1.559 122.842 121.223 0.099 0.000 2.282 439 L HA 0.559 4.899 4.340 0.000 0.000 0.288 439 L C -0.871 176.040 176.870 0.067 0.000 1.033 439 L CA -0.877 53.988 54.840 0.040 0.000 0.807 439 L CB 1.460 43.573 42.059 0.090 0.000 1.209 439 L HN 0.418 nan 8.230 nan 0.000 0.423 440 V N 3.240 123.096 119.914 -0.097 0.000 2.417 440 V HA 0.372 4.492 4.120 0.000 0.000 0.291 440 V C -0.831 175.164 176.094 -0.164 0.000 1.024 440 V CA -0.665 61.624 62.300 -0.017 0.000 0.861 440 V CB 1.220 33.039 31.823 -0.006 0.000 0.985 440 V HN 0.389 nan 8.190 nan 0.000 0.436 441 Y N 1.899 122.276 120.300 0.129 0.000 2.331 441 Y HA 0.672 5.222 4.550 0.000 0.000 0.338 441 Y C 0.617 176.568 175.900 0.085 0.000 0.992 441 Y CA -0.419 57.746 58.100 0.108 0.000 1.121 441 Y CB 2.083 40.631 38.460 0.147 0.000 1.184 441 Y HN 0.591 nan 8.280 nan 0.000 0.469 442 S N 1.466 117.271 115.700 0.175 0.000 2.526 442 S HA 0.783 5.253 4.470 0.000 0.000 0.293 442 S C -0.427 174.240 174.600 0.112 0.000 1.092 442 S CA -0.710 57.570 58.200 0.133 0.000 0.980 442 S CB 2.398 65.658 63.200 0.101 0.000 1.048 442 S HN 0.693 nan 8.310 nan 0.000 0.483 443 T N 1.073 115.683 114.554 0.094 0.000 2.626 443 T HA 0.780 5.130 4.350 0.000 0.000 0.299 443 T C -2.069 172.697 174.700 0.111 0.000 1.181 443 T CA -0.675 61.447 62.100 0.036 0.000 1.053 443 T CB 0.512 69.281 68.868 -0.164 0.000 1.566 443 T HN 0.518 nan 8.240 nan 0.000 0.486 444 F N 0.874 120.818 119.950 -0.010 0.000 2.576 444 F HA 0.872 5.399 4.527 0.000 0.000 0.313 444 F C -1.415 174.348 175.800 -0.062 0.000 1.078 444 F CA -1.442 56.548 58.000 -0.017 0.000 0.921 444 F CB 0.991 39.987 39.000 -0.007 0.000 1.232 444 F HN 0.445 nan 8.300 nan 0.000 0.459 445 L N 3.954 125.225 121.223 0.080 0.000 2.307 445 L HA 0.752 5.092 4.340 0.000 0.000 0.284 445 L C -1.552 175.392 176.870 0.123 0.000 1.023 445 L CA -0.751 54.069 54.840 -0.033 0.000 0.810 445 L CB 1.436 43.433 42.059 -0.103 0.000 1.231 445 L HN 0.817 nan 8.230 nan 0.000 0.423 446 L N 5.167 126.465 121.223 0.125 0.000 2.362 446 L HA 0.477 4.817 4.340 0.000 0.000 0.275 446 L C -1.171 175.803 176.870 0.173 0.000 0.998 446 L CA -0.193 54.751 54.840 0.174 0.000 0.820 446 L CB 1.308 43.496 42.059 0.215 0.000 1.270 446 L HN 0.710 nan 8.230 nan 0.000 0.415 447 H N 3.963 123.091 119.070 0.095 0.000 2.541 447 H HA 0.405 4.961 4.556 0.000 0.000 0.316 447 H C -1.531 173.872 175.328 0.126 0.000 1.043 447 H CA -0.402 55.712 56.048 0.111 0.000 1.232 447 H CB 1.370 31.199 29.762 0.111 0.000 1.406 447 H HN 0.648 nan 8.280 nan 0.000 0.469 448 D N 7.540 127.755 120.400 -0.309 0.000 2.323 448 D HA 0.147 4.787 4.640 0.000 0.000 0.242 448 D C -2.267 173.881 176.300 -0.255 0.000 1.347 448 D CA -1.720 52.150 54.000 -0.217 0.000 0.988 448 D CB 1.743 42.511 40.800 -0.053 0.000 1.314 448 D HN 0.361 nan 8.370 nan 0.000 0.564 449 P HA 0.087 nan 4.420 nan 0.000 0.258 449 P C 0.009 177.278 177.300 -0.052 0.000 1.559 449 P CA -0.115 62.896 63.100 -0.148 0.000 0.855 449 P CB -0.105 31.556 31.700 -0.064 0.000 1.594 450 R N 1.094 121.566 120.500 -0.047 0.000 2.582 450 R HA 0.365 4.705 4.340 0.000 0.000 0.271 450 R C -1.719 174.577 176.300 -0.006 0.000 1.078 450 R CA -1.421 54.668 56.100 -0.018 0.000 1.127 450 R CB -0.536 29.756 30.300 -0.013 0.000 1.038 450 R HN 0.135 nan 8.270 nan 0.000 0.500 451 P HA 0.068 nan 4.420 nan 0.000 0.272 451 P C -1.256 176.046 177.300 0.003 0.000 1.223 451 P CA -0.413 62.688 63.100 0.001 0.000 0.784 451 P CB 0.747 32.449 31.700 0.004 0.000 0.923 452 V N 1.409 121.324 119.914 0.002 0.000 2.482 452 V HA 0.219 4.339 4.120 0.000 0.000 0.295 452 V C 0.723 176.820 176.094 0.005 0.000 1.026 452 V CA 0.028 62.331 62.300 0.005 0.000 0.856 452 V CB 1.660 33.485 31.823 0.004 0.000 1.001 452 V HN 0.571 nan 8.190 nan 0.000 0.424 453 S N 4.145 119.849 115.700 0.007 0.000 2.388 453 S HA 0.227 4.697 4.470 0.000 0.000 0.223 453 S C 0.996 175.598 174.600 0.004 0.000 1.034 453 S CA 0.856 59.060 58.200 0.006 0.000 0.963 453 S CB 0.075 63.280 63.200 0.008 0.000 0.827 453 S HN 1.053 nan 8.310 nan 0.000 0.481 454 G N 0.840 109.642 108.800 0.004 0.000 2.547 454 G HA2 0.505 4.465 3.960 0.000 0.000 0.291 454 G HA3 0.505 4.465 3.960 0.000 0.000 0.291 454 G C -0.779 174.121 174.900 0.000 0.000 1.211 454 G CA -0.799 44.302 45.100 0.002 0.000 0.950 454 G HN 0.198 nan 8.290 nan 0.000 0.504 455 L N 1.107 122.329 121.223 -0.001 0.000 2.745 455 L HA 0.038 4.378 4.340 0.000 0.000 0.273 455 L C 1.128 177.994 176.870 -0.007 0.000 1.156 455 L CA 0.547 55.385 54.840 -0.003 0.000 0.982 455 L CB -0.158 41.899 42.059 -0.003 0.000 1.295 455 L HN 0.231 nan 8.230 nan 0.000 0.483 456 S N 4.529 120.225 115.700 -0.008 0.000 2.498 456 S HA 0.192 4.662 4.470 0.000 0.000 0.281 456 S C 1.359 175.950 174.600 -0.015 0.000 1.265 456 S CA -0.537 57.655 58.200 -0.014 0.000 1.071 456 S CB 0.473 63.666 63.200 -0.012 0.000 0.894 456 S HN 0.343 nan 8.310 nan 0.000 0.491 457 I N 2.518 123.076 120.570 -0.021 0.000 3.284 457 I HA 0.118 4.288 4.170 0.000 0.000 0.231 457 I C 1.616 177.722 176.117 -0.018 0.000 1.041 457 I CA 0.710 62.000 61.300 -0.017 0.000 1.478 457 I CB -0.808 37.182 38.000 -0.017 0.000 1.340 457 I HN 0.513 nan 8.210 nan 0.000 0.449 458 L N -0.190 121.017 121.223 -0.026 0.000 2.919 458 L HA 0.301 4.641 4.340 0.000 0.000 0.169 458 L C 0.787 177.642 176.870 -0.026 0.000 1.228 458 L CA 0.425 55.253 54.840 -0.021 0.000 0.862 458 L CB -0.045 42.003 42.059 -0.018 0.000 1.313 458 L HN 0.023 nan 8.230 nan 0.000 0.526 459 R N 0.475 120.948 120.500 -0.046 0.000 2.234 459 R HA 0.284 4.624 4.340 0.000 0.000 0.324 459 R C -0.553 175.691 176.300 -0.093 0.000 1.054 459 R CA 0.057 56.122 56.100 -0.058 0.000 0.912 459 R CB 0.530 30.785 30.300 -0.075 0.000 1.030 459 R HN 0.269 nan 8.270 nan 0.000 0.455 460 T N 3.094 117.621 114.554 -0.045 0.000 2.870 460 T HA 0.085 4.435 4.350 0.000 0.000 0.300 460 T C 0.893 175.567 174.700 -0.042 0.000 0.989 460 T CA -0.301 61.784 62.100 -0.024 0.000 1.139 460 T CB 0.300 69.185 68.868 0.028 0.000 0.920 460 T HN 0.543 nan 8.240 nan 0.000 0.537 461 N N 3.428 122.102 118.700 -0.043 0.000 2.515 461 N HA 0.013 4.753 4.740 0.000 0.000 0.185 461 N C 0.679 176.410 175.510 0.368 0.000 1.109 461 N CA 0.263 53.356 53.050 0.073 0.000 0.903 461 N CB -0.001 38.532 38.487 0.077 0.000 0.969 461 N HN 0.563 nan 8.380 nan 0.000 0.450 462 R N 1.269 121.889 120.500 0.200 0.000 2.242 462 R HA 0.252 4.592 4.340 0.000 0.000 0.334 462 R C -1.082 175.350 176.300 0.221 0.000 1.071 462 R CA -0.015 56.194 56.100 0.181 0.000 0.922 462 R CB 0.305 30.655 30.300 0.084 0.000 1.023 462 R HN -0.234 nan 8.270 nan 0.000 0.458 463 V N 3.925 124.001 119.914 0.271 0.000 2.604 463 V HA 0.388 4.508 4.120 0.000 0.000 0.305 463 V C -0.431 175.758 176.094 0.159 0.000 1.043 463 V CA -0.780 61.648 62.300 0.214 0.000 0.888 463 V CB 1.844 33.797 31.823 0.217 0.000 0.995 463 V HN 0.750 nan 8.190 nan 0.000 0.429 464 E N 2.714 122.983 120.200 0.116 0.000 2.275 464 E HA 0.715 5.066 4.350 0.000 0.000 0.270 464 E C -1.674 174.985 176.600 0.098 0.000 0.882 464 E CA -0.544 55.920 56.400 0.107 0.000 0.758 464 E CB 2.427 32.163 29.700 0.060 0.000 1.195 464 E HN 0.658 nan 8.360 nan 0.000 0.419 465 V N 1.224 121.209 119.914 0.118 0.000 2.876 465 V HA 0.705 4.825 4.120 0.000 0.000 0.312 465 V C -2.735 173.444 176.094 0.142 0.000 1.085 465 V CA -2.444 59.923 62.300 0.112 0.000 0.945 465 V CB 1.572 33.456 31.823 0.101 0.000 1.017 465 V HN 0.549 nan 8.190 nan 0.000 0.428 466 P HA 0.419 nan 4.420 nan 0.000 0.282 466 P C -1.029 176.398 177.300 0.212 0.000 1.262 466 P CA 0.023 63.215 63.100 0.154 0.000 0.773 466 P CB 1.029 32.785 31.700 0.093 0.000 0.879 467 I N 3.117 123.796 120.570 0.180 0.000 2.382 467 I HA 0.428 4.599 4.170 0.000 0.000 0.286 467 I C 0.424 176.650 176.117 0.181 0.000 1.002 467 I CA -0.485 60.917 61.300 0.171 0.000 1.135 467 I CB 1.133 39.148 38.000 0.025 0.000 1.288 467 I HN 0.473 nan 8.210 nan 0.000 0.448 468 E N 5.178 125.544 120.200 0.276 0.000 2.308 468 E HA 0.551 4.902 4.350 0.000 0.000 0.275 468 E C -1.902 174.830 176.600 0.219 0.000 0.890 468 E CA -0.388 56.150 56.400 0.231 0.000 0.754 468 E CB 2.250 32.065 29.700 0.192 0.000 1.207 468 E HN 0.619 nan 8.360 nan 0.000 0.426 469 c N 3.362 122.064 118.600 0.170 0.000 2.441 469 c HA 0.591 5.161 4.570 0.000 0.000 0.318 469 c C -0.662 173.441 174.090 0.021 0.000 1.222 469 c CA -0.647 55.709 56.329 0.045 0.000 1.474 469 c CB 0.862 43.418 42.510 0.075 0.000 2.125 469 c HN 0.686 nan 8.230 nan 0.000 0.479 470 R N 2.215 122.588 120.500 -0.213 0.000 2.393 470 R HA 0.550 4.890 4.340 0.000 0.000 0.315 470 R C -1.806 174.288 176.300 -0.343 0.000 0.952 470 R CA -0.403 55.621 56.100 -0.126 0.000 0.842 470 R CB 1.478 31.750 30.300 -0.046 0.000 1.163 470 R HN 0.659 nan 8.270 nan 0.000 0.450 471 Y N 2.453 122.836 120.300 0.138 0.000 2.364 471 Y HA 0.318 4.868 4.550 0.000 0.000 0.340 471 Y C -2.012 173.931 175.900 0.071 0.000 0.975 471 Y CA -3.000 55.161 58.100 0.103 0.000 1.089 471 Y CB 1.548 40.092 38.460 0.141 0.000 1.192 471 Y HN 0.411 nan 8.280 nan 0.000 0.454 472 P HA 0.022 nan 4.420 nan 0.000 0.261 472 P C -0.505 176.856 177.300 0.101 0.000 1.183 472 P CA 0.167 63.324 63.100 0.096 0.000 0.761 472 P CB 0.457 32.193 31.700 0.059 0.000 0.785 473 R N 3.297 123.841 120.500 0.074 0.000 2.296 473 R HA 0.299 4.639 4.340 0.000 0.000 0.323 473 R C 0.209 176.533 176.300 0.040 0.000 1.067 473 R CA -0.161 55.973 56.100 0.057 0.000 0.946 473 R CB -0.075 30.250 30.300 0.042 0.000 0.991 473 R HN 0.482 nan 8.270 nan 0.000 0.448 474 L N 0.000 121.244 121.223 0.034 0.000 2.949 474 L HA 0.000 4.340 4.340 0.000 0.000 0.249 474 L CA 0.000 54.853 54.840 0.021 0.000 0.813 474 L CB 0.000 42.069 42.059 0.016 0.000 0.961 474 L HN 0.000 nan 8.230 nan 0.000 0.502