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 3ldr_1_A DATA FIRST_RESID 20 DATA SEQUENCE SYHLDTTAPP PTNLSTLPNN TLFHLWRPRA HILPAEGQIG DPCAHYTDPS DATA SEQUENCE TGLFHVGFLH DGDGIAGATT ANLATYTDTS DNGSFLIQPG GKNDPVAVFD DATA SEQUENCE GAVIPVGVNN TPTLLYTSVS FLPIHWSIPY TRGSETQSLA VARDGGRRFD DATA SEQUENCE KLDQGPVIAD HPFAVDVTAF RAPFVFRSAR LDVLLSLDEE VARNETAVQQ DATA SEQUENCE AVDGWTEKNA PWYVAVSGGV HGVGPAQFLY RQNGGNASEF QYWEYLGEWW DATA SEQUENCE QEATNSSWGD EGTWAGRWGF NFETGNVLFL TEEGHDPQTG EVFVTLGTEG DATA SEQUENCE SGLPIVPQVS SIHDMLWAAG EVGVGSEQEG AKVEFSPSMA GFLDWGFSAY DATA SEQUENCE AAAGKVLPAS SAVSKTSGVE VDRYVSFVWL TGDQYEQADG FPTAQQGWTG DATA SEQUENCE SLLLPRELKV QTVENVVDNE LVREEGVSWV VGESDNQTAT LRTLGITIAR DATA SEQUENCE ETKAALLANG SVTAEEDRTL QTAAVVPFAQ SPSSKFFVLT AQLEFPASAR DATA SEQUENCE SSPLQSGFEI LASELERTAI YYQFSNESLV VDRSQTSAAA PTNPGLDSFT DATA SEQUENCE ESGKLRLFDV IENGQEQVET LDLTVVVDNA VVEVYANGRF ALSTWARSWY DATA SEQUENCE DNSTQIRFFH NGEGEVQFRN VSVSEGLYNA WPER 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 20 S HA 0.000 nan 4.470 nan 0.000 0.327 20 S C 0.000 174.699 174.600 0.165 0.000 1.055 20 S CA 0.000 58.259 58.200 0.098 0.000 1.107 20 S CB 0.000 63.230 63.200 0.051 0.000 0.593 21 Y N 7.693 128.037 120.300 0.072 0.000 2.477 21 Y HA 0.495 5.045 4.550 -0.000 0.000 0.349 21 Y C 0.186 176.163 175.900 0.130 0.000 0.977 21 Y CA -0.597 57.562 58.100 0.099 0.000 1.214 21 Y CB 0.309 38.800 38.460 0.051 0.000 1.124 21 Y HN 0.761 nan 8.280 nan 0.000 0.521 22 H N 6.162 124.913 119.070 -0.532 0.000 2.458 22 H HA 0.265 4.821 4.556 0.000 0.000 0.330 22 H C -1.096 173.737 175.328 -0.825 0.000 1.111 22 H CA -1.358 54.375 56.048 -0.525 0.000 1.245 22 H CB 1.576 31.199 29.762 -0.232 0.000 1.456 22 H HN 0.751 nan 8.280 nan 0.000 0.488 23 L N 3.549 124.268 121.223 -0.841 0.000 2.654 23 L HA 0.044 4.384 4.340 0.000 0.000 0.271 23 L C -0.203 176.284 176.870 -0.639 0.000 1.169 23 L CA 0.837 55.273 54.840 -0.673 0.000 0.947 23 L CB -0.357 41.497 42.059 -0.340 0.000 1.232 23 L HN 0.721 nan 8.230 nan 0.000 0.486 24 D N 2.664 122.811 120.400 -0.422 0.000 2.440 24 D HA 0.188 4.828 4.640 0.000 0.000 0.252 24 D C 0.444 176.721 176.300 -0.039 0.000 1.180 24 D CA -0.197 53.657 54.000 -0.243 0.000 0.894 24 D CB 1.170 41.864 40.800 -0.176 0.000 1.111 24 D HN 0.591 nan 8.370 nan 0.000 0.544 25 T N -0.105 114.331 114.554 -0.196 0.000 3.366 25 T HA 0.059 4.409 4.350 0.000 0.000 0.249 25 T C 1.224 175.909 174.700 -0.025 0.000 1.028 25 T CA 0.332 62.216 62.100 -0.361 0.000 0.938 25 T CB -0.317 68.147 68.868 -0.672 0.000 1.046 25 T HN 0.339 nan 8.240 nan 0.000 0.587 26 T N -2.474 112.164 114.554 0.140 0.000 2.985 26 T HA 0.636 4.986 4.350 0.000 0.000 0.254 26 T C 0.745 175.691 174.700 0.410 0.000 1.021 26 T CA 0.043 62.307 62.100 0.274 0.000 0.957 26 T CB 0.215 69.175 68.868 0.153 0.000 1.047 26 T HN 0.504 nan 8.240 nan 0.000 0.511 27 A N 2.038 125.082 122.820 0.373 0.000 2.299 27 A HA 0.824 5.144 4.320 0.000 0.000 0.332 27 A C -2.874 174.954 177.584 0.406 0.000 1.131 27 A CA -2.269 49.993 52.037 0.375 0.000 0.844 27 A CB 0.570 19.722 19.000 0.253 0.000 1.251 27 A HN 0.155 nan 8.150 nan 0.000 0.486 28 P HA 0.142 nan 4.420 nan 0.000 0.266 28 P C -2.398 174.750 177.300 -0.254 0.000 1.193 28 P CA -0.380 62.745 63.100 0.041 0.000 0.770 28 P CB -0.030 31.703 31.700 0.054 0.000 0.836 29 P HA 0.195 nan 4.420 nan 0.000 0.274 29 P C -2.401 174.501 177.300 -0.663 0.000 1.231 29 P CA -1.577 60.773 63.100 -1.250 0.000 0.790 29 P CB -0.476 29.944 31.700 -2.133 0.000 0.951 30 P HA -0.016 nan 4.420 nan 0.000 0.270 30 P C 1.214 178.291 177.300 -0.371 0.000 1.223 30 P CA 0.098 62.915 63.100 -0.472 0.000 0.785 30 P CB 0.202 31.552 31.700 -0.583 0.000 0.923 31 T N -1.841 112.552 114.554 -0.269 0.000 2.777 31 T HA -0.133 4.217 4.350 0.000 0.000 0.266 31 T C 0.862 175.447 174.700 -0.192 0.000 1.040 31 T CA 0.974 62.949 62.100 -0.209 0.000 1.141 31 T CB -0.565 68.213 68.868 -0.151 0.000 0.868 31 T HN 0.412 nan 8.240 nan 0.000 0.444 32 N N 0.632 119.224 118.700 -0.181 0.000 2.564 32 N HA 0.360 5.100 4.740 0.000 0.000 0.248 32 N C 0.569 175.987 175.510 -0.153 0.000 0.986 32 N CA -0.562 52.399 53.050 -0.148 0.000 0.921 32 N CB 0.706 39.126 38.487 -0.111 0.000 1.136 32 N HN 0.225 nan 8.380 nan 0.000 0.509 33 L N 1.190 122.319 121.223 -0.155 0.000 2.191 33 L HA -0.084 4.256 4.340 0.000 0.000 0.212 33 L C 1.532 178.340 176.870 -0.104 0.000 1.103 33 L CA 0.831 55.596 54.840 -0.125 0.000 0.769 33 L CB -0.133 41.857 42.059 -0.115 0.000 0.908 33 L HN 0.460 nan 8.230 nan 0.000 0.438 34 S N -1.109 114.524 115.700 -0.113 0.000 2.603 34 S HA -0.096 4.374 4.470 0.000 0.000 0.229 34 S C 1.907 176.474 174.600 -0.055 0.000 0.972 34 S CA 1.267 59.414 58.200 -0.089 0.000 0.935 34 S CB -0.277 62.871 63.200 -0.086 0.000 0.769 34 S HN 0.635 nan 8.310 nan 0.000 0.536 35 T N -0.796 113.725 114.554 -0.055 0.000 3.057 35 T HA 0.236 4.586 4.350 0.000 0.000 0.254 35 T C 0.572 175.271 174.700 -0.001 0.000 1.094 35 T CA -0.182 61.898 62.100 -0.033 0.000 1.088 35 T CB -0.248 68.590 68.868 -0.049 0.000 0.934 35 T HN -0.022 nan 8.240 nan 0.000 0.497 36 L N 2.457 123.688 121.223 0.014 0.000 2.479 36 L HA 0.367 4.707 4.340 0.000 0.000 0.270 36 L C -2.089 174.817 176.870 0.061 0.000 1.236 36 L CA -1.745 53.145 54.840 0.082 0.000 0.823 36 L CB -0.305 41.831 42.059 0.128 0.000 1.098 36 L HN 0.070 nan 8.230 nan 0.000 0.500 37 P HA 0.120 nan 4.420 nan 0.000 0.272 37 P C -0.859 176.467 177.300 0.044 0.000 1.223 37 P CA -0.487 62.644 63.100 0.051 0.000 0.784 37 P CB 0.378 32.109 31.700 0.051 0.000 0.923 38 N N 1.711 120.434 118.700 0.039 0.000 2.345 38 N HA -0.060 4.680 4.740 0.000 0.000 0.243 38 N C 0.451 175.999 175.510 0.062 0.000 1.246 38 N CA 0.773 53.852 53.050 0.047 0.000 0.863 38 N CB -0.791 37.723 38.487 0.045 0.000 1.096 38 N HN 0.378 nan 8.380 nan 0.000 0.446 39 N N -1.479 117.280 118.700 0.098 0.000 2.732 39 N HA -0.236 4.504 4.740 0.000 0.000 0.250 39 N C 0.328 175.917 175.510 0.132 0.000 1.097 39 N CA 1.527 54.673 53.050 0.160 0.000 0.812 39 N CB -1.339 37.215 38.487 0.112 0.000 1.148 39 N HN 0.553 nan 8.380 nan 0.000 0.572 40 T N -0.181 114.416 114.554 0.073 0.000 2.833 40 T HA -0.020 4.330 4.350 0.000 0.000 0.269 40 T C 1.318 176.027 174.700 0.015 0.000 1.054 40 T CA 0.944 63.068 62.100 0.039 0.000 1.135 40 T CB 0.012 68.902 68.868 0.036 0.000 0.869 40 T HN 0.336 nan 8.240 nan 0.000 0.466 41 L N 0.114 121.334 121.223 -0.005 0.000 2.741 41 L HA 0.328 4.668 4.340 0.000 0.000 0.237 41 L C 1.515 178.368 176.870 -0.027 0.000 1.178 41 L CA -0.256 54.506 54.840 -0.130 0.000 0.973 41 L CB -0.428 41.470 42.059 -0.267 0.000 1.255 41 L HN 0.133 nan 8.230 nan 0.000 0.498 42 F N 1.139 121.084 119.950 -0.009 0.000 2.087 42 F HA -0.308 4.219 4.527 0.000 0.000 0.299 42 F C 2.217 178.056 175.800 0.065 0.000 1.100 42 F CA 2.154 60.201 58.000 0.078 0.000 1.226 42 F CB 0.043 38.991 39.000 -0.086 0.000 0.983 42 F HN 0.248 nan 8.300 nan 0.000 0.479 43 H N -1.730 117.515 119.070 0.292 0.000 2.595 43 H HA 0.054 4.610 4.556 -0.000 0.000 0.265 43 H C 1.736 177.099 175.328 0.058 0.000 0.953 43 H CA 0.495 56.653 56.048 0.184 0.000 1.197 43 H CB 0.017 29.881 29.762 0.169 0.000 1.438 43 H HN 0.213 nan 8.280 nan 0.000 0.531 44 L N 0.016 121.216 121.223 -0.039 0.000 2.010 44 L HA -0.239 4.101 4.340 0.000 0.000 0.219 44 L C 0.861 177.601 176.870 -0.217 0.000 1.077 44 L CA 1.802 56.423 54.840 -0.365 0.000 0.773 44 L CB -0.285 41.210 42.059 -0.940 0.000 0.892 44 L HN 0.421 nan 8.230 nan 0.000 0.436 45 W N -0.575 120.836 121.300 0.186 0.000 2.870 45 W HA 0.350 5.010 4.660 -0.000 0.000 0.358 45 W C 0.872 177.620 176.519 0.382 0.000 1.043 45 W CA -0.738 56.745 57.345 0.230 0.000 1.692 45 W CB -0.607 28.971 29.460 0.197 0.000 1.100 45 W HN 0.058 nan 8.180 nan 0.000 0.557 46 R N 3.179 124.003 120.500 0.540 0.000 2.489 46 R HA 0.069 4.409 4.340 0.000 0.000 0.287 46 R C -2.041 174.379 176.300 0.201 0.000 1.053 46 R CA -0.823 55.406 56.100 0.215 0.000 1.036 46 R CB 0.652 30.845 30.300 -0.179 0.000 0.966 46 R HN -0.257 nan 8.270 nan 0.000 0.432 47 P HA 0.118 nan 4.420 nan 0.000 0.278 47 P C -0.945 176.464 177.300 0.183 0.000 1.266 47 P CA -0.207 63.012 63.100 0.198 0.000 0.807 47 P CB 0.936 32.663 31.700 0.045 0.000 1.094 48 R N -0.084 120.548 120.500 0.220 0.000 2.453 48 R HA 0.444 4.784 4.340 0.000 0.000 0.233 48 R C 1.175 177.459 176.300 -0.026 0.000 0.895 48 R CA 0.165 56.293 56.100 0.047 0.000 1.028 48 R CB -0.231 29.968 30.300 -0.167 0.000 1.255 48 R HN 0.308 nan 8.270 nan 0.000 0.571 49 A N 0.554 123.365 122.820 -0.014 0.000 2.535 49 A HA 0.346 4.666 4.320 0.000 0.000 0.273 49 A C -0.815 176.706 177.584 -0.105 0.000 1.267 49 A CA -0.415 51.448 52.037 -0.290 0.000 0.940 49 A CB -0.199 18.548 19.000 -0.421 0.000 1.101 49 A HN 0.285 nan 8.150 nan 0.000 0.521 50 H N -1.311 117.777 119.070 0.030 0.000 2.651 50 H HA 0.595 5.152 4.556 0.000 0.000 0.353 50 H C -0.422 175.015 175.328 0.181 0.000 1.178 50 H CA -0.588 55.506 56.048 0.076 0.000 1.224 50 H CB 1.251 31.033 29.762 0.034 0.000 1.702 50 H HN 0.175 nan 8.280 nan 0.000 0.550 51 I N 3.618 124.320 120.570 0.220 0.000 2.337 51 I HA 0.177 4.347 4.170 0.000 0.000 0.291 51 I C -1.137 174.994 176.117 0.023 0.000 1.046 51 I CA -0.356 61.056 61.300 0.187 0.000 1.324 51 I CB -0.037 37.926 38.000 -0.062 0.000 1.409 51 I HN 0.193 nan 8.210 nan 0.000 0.494 52 L N 6.612 127.773 121.223 -0.103 0.000 2.653 52 L HA 0.684 5.024 4.340 0.000 0.000 0.257 52 L C -2.947 173.575 176.870 -0.580 0.000 0.969 52 L CA -2.352 52.252 54.840 -0.394 0.000 0.869 52 L CB 0.381 42.280 42.059 -0.267 0.000 1.439 52 L HN 0.159 nan 8.230 nan 0.000 0.414 53 P HA 0.130 nan 4.420 nan 0.000 0.271 53 P C 0.535 177.592 177.300 -0.404 0.000 1.244 53 P CA 0.275 63.116 63.100 -0.431 0.000 0.793 53 P CB 0.629 32.075 31.700 -0.423 0.000 0.984 54 A N 0.387 123.012 122.820 -0.325 0.000 2.024 54 A HA -0.113 4.207 4.320 0.000 0.000 0.220 54 A C 1.051 178.644 177.584 0.015 0.000 1.164 54 A CA 1.557 53.471 52.037 -0.205 0.000 0.643 54 A CB -0.579 18.344 19.000 -0.128 0.000 0.806 54 A HN 0.765 nan 8.150 nan 0.000 0.451 55 E N -3.736 116.526 120.200 0.103 0.000 2.442 55 E HA 0.458 4.808 4.350 0.000 0.000 0.278 55 E C 0.157 176.964 176.600 0.344 0.000 1.082 55 E CA -0.205 56.375 56.400 0.299 0.000 0.861 55 E CB -0.065 29.838 29.700 0.339 0.000 1.462 55 E HN 1.543 nan 8.360 nan 0.000 0.458 56 G N 0.669 109.690 108.800 0.370 0.000 2.693 56 G HA2 -0.088 3.872 3.960 0.000 0.000 0.226 56 G HA3 -0.088 3.872 3.960 0.000 0.000 0.226 56 G C -0.647 174.449 174.900 0.327 0.000 1.354 56 G CA 0.405 45.686 45.100 0.302 0.000 0.873 56 G HN 1.022 nan 8.290 nan 0.000 0.562 57 Q N -0.870 119.077 119.800 0.247 0.000 2.235 57 Q HA 0.797 5.137 4.340 0.000 0.000 0.256 57 Q C -0.192 176.024 176.000 0.360 0.000 0.951 57 Q CA -0.866 55.096 55.803 0.265 0.000 0.890 57 Q CB 1.865 30.710 28.738 0.180 0.000 1.279 57 Q HN 1.368 nan 8.270 nan 0.000 0.444 58 I N 2.133 122.898 120.570 0.324 0.000 2.474 58 I HA 0.790 4.960 4.170 0.000 0.000 0.294 58 I C -0.322 175.947 176.117 0.253 0.000 1.005 58 I CA -0.698 60.755 61.300 0.254 0.000 1.113 58 I CB 1.562 39.568 38.000 0.010 0.000 1.289 58 I HN 0.886 nan 8.210 nan 0.000 0.436 59 G N 4.438 113.230 108.800 -0.014 0.000 3.008 59 G HA2 0.245 4.205 3.960 0.000 0.000 0.181 59 G HA3 0.245 4.205 3.960 0.000 0.000 0.181 59 G C -1.038 173.289 174.900 -0.955 0.000 1.309 59 G CA -0.536 44.216 45.100 -0.579 0.000 1.009 59 G HN 0.549 nan 8.290 nan 0.000 0.584 60 D N 2.185 122.044 120.400 -0.902 0.000 2.586 60 D HA 0.188 4.828 4.640 0.000 0.000 0.234 60 D C -1.879 174.338 176.300 -0.139 0.000 1.132 60 D CA -0.136 53.570 54.000 -0.490 0.000 0.860 60 D CB 0.888 41.536 40.800 -0.254 0.000 1.159 60 D HN 0.013 nan 8.370 nan 0.000 0.490 61 P HA 0.177 nan 4.420 nan 0.000 0.279 61 P C -0.360 176.941 177.300 0.003 0.000 1.239 61 P CA -0.522 62.678 63.100 0.167 0.000 0.789 61 P CB 0.768 32.659 31.700 0.319 0.000 0.933 62 C N -1.020 118.166 119.300 -0.191 0.000 3.231 62 C HA 0.791 5.251 4.460 0.000 0.000 0.343 62 C C 0.205 174.917 174.990 -0.463 0.000 1.349 62 C CA -0.191 58.599 59.018 -0.379 0.000 1.209 62 C CB 0.533 28.186 27.740 -0.147 0.000 1.475 62 C HN 0.812 nan 8.230 nan 0.000 0.460 63 A N 0.858 123.448 122.820 -0.384 0.000 2.846 63 A HA -0.031 4.289 4.320 0.000 0.000 0.287 63 A C 0.016 177.520 177.584 -0.133 0.000 1.469 63 A CA 1.225 53.098 52.037 -0.274 0.000 0.757 63 A CB -2.681 16.132 19.000 -0.313 0.000 1.033 63 A HN 1.511 nan 8.150 nan 0.000 0.516 64 H N -0.877 118.200 119.070 0.012 0.000 2.505 64 H HA 0.693 5.249 4.556 0.000 0.000 0.355 64 H C 0.179 175.546 175.328 0.065 0.000 1.179 64 H CA 0.890 56.878 56.048 -0.099 0.000 1.343 64 H CB 0.580 30.302 29.762 -0.067 0.000 1.501 64 H HN 1.045 nan 8.280 nan 0.000 0.569 65 Y N -2.805 117.370 120.300 -0.208 0.000 2.661 65 Y HA 0.274 4.824 4.550 -0.000 0.000 0.339 65 Y C -1.445 174.447 175.900 -0.013 0.000 1.186 65 Y CA -1.069 57.008 58.100 -0.037 0.000 1.137 65 Y CB 0.388 38.818 38.460 -0.051 0.000 1.354 65 Y HN 0.404 nan 8.280 nan 0.000 0.469 66 T N 2.952 117.680 114.554 0.290 0.000 2.743 66 T HA 0.152 4.502 4.350 0.000 0.000 0.293 66 T C -0.851 173.998 174.700 0.249 0.000 0.945 66 T CA -0.218 62.053 62.100 0.285 0.000 1.030 66 T CB 0.529 69.606 68.868 0.349 0.000 0.912 66 T HN 0.621 nan 8.240 nan 0.000 0.483 67 D N 4.380 124.869 120.400 0.148 0.000 2.358 67 D HA 0.150 4.790 4.640 0.000 0.000 0.258 67 D C -1.417 174.986 176.300 0.171 0.000 1.223 67 D CA -2.179 51.937 54.000 0.193 0.000 0.886 67 D CB 1.430 42.330 40.800 0.167 0.000 1.120 67 D HN 0.130 nan 8.370 nan 0.000 0.482 68 P HA -0.199 nan 4.420 nan 0.000 0.215 68 P C 1.462 178.820 177.300 0.095 0.000 1.163 68 P CA 1.245 64.420 63.100 0.125 0.000 0.894 68 P CB 0.175 31.941 31.700 0.110 0.000 0.791 69 S N -1.258 114.492 115.700 0.083 0.000 2.353 69 S HA -0.163 4.307 4.470 0.000 0.000 0.222 69 S C 1.960 176.597 174.600 0.063 0.000 1.035 69 S CA 2.535 60.772 58.200 0.063 0.000 1.025 69 S CB -1.373 61.858 63.200 0.051 0.000 0.902 69 S HN 0.340 nan 8.310 nan 0.000 0.440 70 T N -3.270 111.332 114.554 0.079 0.000 3.051 70 T HA 0.416 4.766 4.350 0.000 0.000 0.255 70 T C 1.697 176.438 174.700 0.068 0.000 1.085 70 T CA 1.066 63.207 62.100 0.068 0.000 1.109 70 T CB -0.215 68.699 68.868 0.076 0.000 0.921 70 T HN 1.078 nan 8.240 nan 0.000 0.488 71 G N 1.420 110.276 108.800 0.092 0.000 2.184 71 G HA2 -0.229 3.731 3.960 0.000 0.000 0.264 71 G HA3 -0.229 3.731 3.960 0.000 0.000 0.264 71 G C 0.021 174.983 174.900 0.103 0.000 0.975 71 G CA 0.297 45.453 45.100 0.093 0.000 0.642 71 G HN 0.635 nan 8.290 nan 0.000 0.536 72 L N -0.204 121.078 121.223 0.098 0.000 2.452 72 L HA 0.568 4.908 4.340 0.000 0.000 0.267 72 L C 0.563 177.525 176.870 0.154 0.000 1.188 72 L CA -0.795 54.087 54.840 0.070 0.000 0.821 72 L CB 0.551 42.595 42.059 -0.025 0.000 1.102 72 L HN 0.121 nan 8.230 nan 0.000 0.470 73 F N 2.435 122.359 119.950 -0.043 0.000 2.404 73 F HA 0.327 4.854 4.527 0.000 0.000 0.354 73 F C 0.247 176.001 175.800 -0.077 0.000 1.122 73 F CA -0.387 57.606 58.000 -0.012 0.000 1.080 73 F CB 0.306 39.316 39.000 0.015 0.000 1.131 73 F HN 0.324 nan 8.300 nan 0.000 0.471 74 H N 5.047 123.602 119.070 -0.860 0.000 2.467 74 H HA 0.547 5.103 4.556 -0.000 0.000 0.331 74 H C -0.777 174.132 175.328 -0.698 0.000 1.120 74 H CA -0.843 54.794 56.048 -0.686 0.000 1.270 74 H CB 2.031 31.271 29.762 -0.870 0.000 1.466 74 H HN 0.319 nan 8.280 nan 0.000 0.504 75 V N 1.977 121.758 119.914 -0.222 0.000 2.628 75 V HA 0.530 4.650 4.120 0.000 0.000 0.306 75 V C 0.475 176.572 176.094 0.005 0.000 1.045 75 V CA -0.683 61.549 62.300 -0.113 0.000 0.905 75 V CB 1.960 33.633 31.823 -0.249 0.000 0.997 75 V HN 0.962 nan 8.190 nan 0.000 0.436 76 G N 2.622 111.480 108.800 0.097 0.000 2.605 76 G HA2 0.915 4.875 3.960 0.000 0.000 0.296 76 G HA3 0.915 4.875 3.960 0.000 0.000 0.296 76 G C -1.493 173.376 174.900 -0.051 0.000 1.304 76 G CA -0.621 44.374 45.100 -0.175 0.000 0.941 76 G HN 0.937 nan 8.290 nan 0.000 0.475 77 F N -1.372 118.527 119.950 -0.084 0.000 2.725 77 F HA 0.518 5.045 4.527 -0.000 0.000 0.311 77 F C -1.005 174.764 175.800 -0.052 0.000 1.121 77 F CA -1.661 56.291 58.000 -0.080 0.000 0.978 77 F CB 0.592 39.558 39.000 -0.057 0.000 1.274 77 F HN 0.471 nan 8.300 nan 0.000 0.440 78 L N 2.854 124.181 121.223 0.173 0.000 2.483 78 L HA 0.298 4.638 4.340 0.000 0.000 0.276 78 L C -0.585 176.502 176.870 0.362 0.000 1.213 78 L CA 0.169 55.108 54.840 0.166 0.000 0.843 78 L CB 0.272 42.355 42.059 0.039 0.000 1.107 78 L HN 0.822 nan 8.230 nan 0.000 0.487 79 H N 2.480 121.695 119.070 0.241 0.000 2.934 79 H HA 0.187 4.743 4.556 0.000 0.000 0.340 79 H C -0.488 175.044 175.328 0.340 0.000 1.008 79 H CA -0.834 55.366 56.048 0.253 0.000 1.317 79 H CB 0.946 30.714 29.762 0.011 0.000 1.670 79 H HN 0.628 nan 8.280 nan 0.000 0.516 80 D N 3.887 124.301 120.400 0.022 0.000 2.983 80 D HA -0.177 4.463 4.640 0.000 0.000 0.225 80 D C 1.100 177.451 176.300 0.086 0.000 1.174 80 D CA 1.788 55.784 54.000 -0.006 0.000 0.831 80 D CB -1.327 39.403 40.800 -0.118 0.000 1.104 80 D HN 1.144 nan 8.370 nan 0.000 0.421 81 G N 0.677 109.555 108.800 0.130 0.000 2.233 81 G HA2 -0.337 3.623 3.960 0.000 0.000 0.270 81 G HA3 -0.337 3.623 3.960 0.000 0.000 0.270 81 G C 0.309 175.280 174.900 0.119 0.000 1.011 81 G CA 0.745 45.922 45.100 0.127 0.000 0.762 81 G HN 0.517 nan 8.290 nan 0.000 0.511 82 D N -0.575 119.903 120.400 0.129 0.000 2.720 82 D HA 0.509 5.149 4.640 0.000 0.000 0.285 82 D C 0.996 177.258 176.300 -0.064 0.000 1.359 82 D CA 1.357 55.347 54.000 -0.018 0.000 0.818 82 D CB -0.175 40.530 40.800 -0.159 0.000 1.108 82 D HN 1.377 nan 8.370 nan 0.000 0.474 83 G N -0.078 108.815 108.800 0.155 0.000 2.373 83 G HA2 -0.065 3.895 3.960 0.000 0.000 0.634 83 G HA3 -0.065 3.895 3.960 0.000 0.000 0.634 83 G C -0.969 174.115 174.900 0.307 0.000 1.267 83 G CA -0.774 44.429 45.100 0.171 0.000 1.008 83 G HN 0.129 nan 8.290 nan 0.000 0.497 84 I N 1.441 122.114 120.570 0.172 0.000 2.336 84 I HA 0.599 4.769 4.170 0.000 0.000 0.292 84 I C 0.884 176.981 176.117 -0.033 0.000 0.991 84 I CA -0.389 60.918 61.300 0.011 0.000 1.227 84 I CB 1.385 39.302 38.000 -0.138 0.000 1.366 84 I HN 0.947 nan 8.210 nan 0.000 0.466 85 A N 4.611 127.202 122.820 -0.382 0.000 2.288 85 A HA 0.966 5.286 4.320 0.000 0.000 0.328 85 A C -0.022 177.098 177.584 -0.774 0.000 1.123 85 A CA -0.442 51.208 52.037 -0.645 0.000 0.861 85 A CB 1.474 19.891 19.000 -0.972 0.000 1.272 85 A HN 0.810 nan 8.150 nan 0.000 0.490 86 G N -1.827 106.660 108.800 -0.521 0.000 2.725 86 G HA2 0.841 4.801 3.960 0.000 0.000 0.288 86 G HA3 0.841 4.801 3.960 0.000 0.000 0.288 86 G C -0.893 173.930 174.900 -0.128 0.000 1.399 86 G CA 0.012 44.915 45.100 -0.329 0.000 0.859 86 G HN 1.942 nan 8.290 nan 0.000 0.479 87 A N -0.681 122.131 122.820 -0.014 0.000 2.601 87 A HA 0.945 5.265 4.320 0.000 0.000 0.291 87 A C -0.319 177.255 177.584 -0.017 0.000 1.075 87 A CA 0.128 52.227 52.037 0.103 0.000 0.671 87 A CB 1.444 20.664 19.000 0.367 0.000 1.277 87 A HN 1.957 nan 8.150 nan 0.000 0.417 88 T N -1.751 112.771 114.554 -0.053 0.000 2.916 88 T HA 0.846 5.196 4.350 0.000 0.000 0.292 88 T C -0.417 174.229 174.700 -0.091 0.000 1.055 88 T CA -0.326 61.647 62.100 -0.212 0.000 1.009 88 T CB 1.911 70.512 68.868 -0.446 0.000 1.118 88 T HN 1.548 nan 8.240 nan 0.000 0.497 89 T N -0.654 113.839 114.554 -0.100 0.000 2.900 89 T HA 0.670 5.020 4.350 0.000 0.000 0.303 89 T C 0.369 175.002 174.700 -0.112 0.000 1.142 89 T CA 0.002 61.992 62.100 -0.183 0.000 1.007 89 T CB 1.356 70.024 68.868 -0.334 0.000 1.156 89 T HN 1.037 nan 8.240 nan 0.000 0.490 90 A N 2.748 125.478 122.820 -0.150 0.000 2.324 90 A HA 0.288 4.608 4.320 0.000 0.000 0.220 90 A C 1.203 178.721 177.584 -0.110 0.000 1.209 90 A CA 0.553 52.532 52.037 -0.096 0.000 0.918 90 A CB -0.109 18.836 19.000 -0.090 0.000 0.959 90 A HN 0.825 nan 8.150 nan 0.000 0.507 91 N N -2.511 116.081 118.700 -0.179 0.000 2.145 91 N HA 0.198 4.938 4.740 0.000 0.000 0.219 91 N C 0.451 175.838 175.510 -0.205 0.000 1.266 91 N CA 0.327 53.270 53.050 -0.179 0.000 0.902 91 N CB 0.636 39.010 38.487 -0.189 0.000 1.078 91 N HN 0.241 nan 8.380 nan 0.000 0.513 92 L N -1.588 119.484 121.223 -0.252 0.000 5.060 92 L HA -0.289 4.051 4.340 0.000 0.000 0.408 92 L C 1.198 177.938 176.870 -0.217 0.000 0.917 92 L CA 1.086 55.810 54.840 -0.192 0.000 1.627 92 L CB -1.812 40.166 42.059 -0.134 0.000 1.732 92 L HN 0.347 nan 8.230 nan 0.000 0.611 93 A N -1.485 121.156 122.820 -0.299 0.000 1.924 93 A HA 0.421 4.741 4.320 0.000 0.000 0.211 93 A C 1.008 178.511 177.584 -0.135 0.000 1.198 93 A CA 1.390 53.316 52.037 -0.184 0.000 0.657 93 A CB -0.164 18.632 19.000 -0.341 0.000 0.852 93 A HN 0.829 nan 8.150 nan 0.000 0.454 94 T N -3.264 111.012 114.554 -0.465 0.000 2.887 94 T HA 0.711 5.061 4.350 0.000 0.000 0.288 94 T C -0.908 173.237 174.700 -0.925 0.000 1.021 94 T CA -0.601 61.233 62.100 -0.444 0.000 1.000 94 T CB 1.335 70.090 68.868 -0.189 0.000 1.034 94 T HN 0.194 nan 8.240 nan 0.000 0.467 95 Y N -0.506 119.468 120.300 -0.544 0.000 2.576 95 Y HA 0.669 5.219 4.550 0.000 0.000 0.346 95 Y C 0.218 175.880 175.900 -0.395 0.000 1.018 95 Y CA -1.048 56.671 58.100 -0.634 0.000 1.050 95 Y CB 2.783 40.500 38.460 -1.239 0.000 1.280 95 Y HN 0.755 nan 8.280 nan 0.000 0.474 96 T N 1.516 116.082 114.554 0.021 0.000 2.879 96 T HA 0.233 4.583 4.350 0.000 0.000 0.290 96 T C -1.278 173.592 174.700 0.284 0.000 0.993 96 T CA -1.010 61.197 62.100 0.178 0.000 0.975 96 T CB 0.993 69.897 68.868 0.059 0.000 0.981 96 T HN 0.417 nan 8.240 nan 0.000 0.439 97 D N 2.350 122.976 120.400 0.375 0.000 2.414 97 D HA 0.059 4.699 4.640 0.000 0.000 0.242 97 D C 1.553 177.918 176.300 0.108 0.000 1.129 97 D CA 0.270 54.417 54.000 0.245 0.000 0.885 97 D CB 1.551 42.434 40.800 0.137 0.000 1.198 97 D HN 0.692 nan 8.370 nan 0.000 0.437 98 T N -1.263 113.325 114.554 0.056 0.000 2.962 98 T HA -0.046 4.304 4.350 0.000 0.000 0.270 98 T C 0.953 175.672 174.700 0.032 0.000 1.088 98 T CA 0.598 62.717 62.100 0.032 0.000 1.127 98 T CB 0.059 68.945 68.868 0.030 0.000 0.883 98 T HN 0.474 nan 8.240 nan 0.000 0.493 99 S N 0.393 116.109 115.700 0.027 0.000 2.655 99 S HA 0.405 4.875 4.470 0.000 0.000 0.266 99 S C -1.755 172.861 174.600 0.027 0.000 1.149 99 S CA -1.005 57.214 58.200 0.031 0.000 0.818 99 S CB 1.304 64.528 63.200 0.040 0.000 1.130 99 S HN 0.486 nan 8.310 nan 0.000 0.476 100 D N -0.302 120.119 120.400 0.036 0.000 2.506 100 D HA 0.327 4.967 4.640 0.000 0.000 0.272 100 D C -0.016 176.321 176.300 0.062 0.000 1.214 100 D CA -0.493 53.529 54.000 0.038 0.000 1.067 100 D CB 0.098 40.919 40.800 0.036 0.000 1.117 100 D HN 0.866 nan 8.370 nan 0.000 0.578 101 N N -1.313 117.432 118.700 0.074 0.000 2.758 101 N HA -0.200 4.540 4.740 0.000 0.000 0.248 101 N C 0.796 176.424 175.510 0.198 0.000 1.076 101 N CA 2.047 55.168 53.050 0.118 0.000 0.696 101 N CB -1.261 37.290 38.487 0.107 0.000 0.979 101 N HN 0.975 nan 8.380 nan 0.000 0.550 102 G N -1.221 107.661 108.800 0.136 0.000 2.258 102 G HA2 -0.211 3.749 3.960 0.000 0.000 0.233 102 G HA3 -0.211 3.749 3.960 0.000 0.000 0.233 102 G C 0.593 175.374 174.900 -0.198 0.000 1.006 102 G CA 1.030 46.182 45.100 0.086 0.000 0.620 102 G HN 1.824 nan 8.290 nan 0.000 0.511 103 S N -1.299 114.366 115.700 -0.058 0.000 3.635 103 S HA -0.208 4.262 4.470 0.000 0.000 0.328 103 S C 0.463 174.964 174.600 -0.165 0.000 1.135 103 S CA 1.037 59.177 58.200 -0.100 0.000 0.942 103 S CB -1.933 61.181 63.200 -0.143 0.000 0.930 103 S HN 1.394 nan 8.310 nan 0.000 0.512 104 F N 0.827 120.786 119.950 0.015 0.000 2.518 104 F HA 0.328 4.855 4.527 0.000 0.000 0.359 104 F C 1.584 177.379 175.800 -0.008 0.000 1.118 104 F CA 0.243 58.242 58.000 -0.002 0.000 1.287 104 F CB 0.508 39.523 39.000 0.026 0.000 1.132 104 F HN 0.168 nan 8.300 nan 0.000 0.587 105 L N 2.867 124.204 121.223 0.191 0.000 2.286 105 L HA 0.354 4.694 4.340 0.000 0.000 0.203 105 L C 0.201 177.156 176.870 0.141 0.000 1.068 105 L CA 0.438 55.378 54.840 0.167 0.000 0.811 105 L CB 0.375 42.544 42.059 0.184 0.000 0.989 105 L HN 0.514 nan 8.230 nan 0.000 0.467 106 I N -0.799 119.816 120.570 0.076 0.000 2.775 106 I HA 0.277 4.447 4.170 0.000 0.000 0.295 106 I C -1.735 174.336 176.117 -0.077 0.000 1.287 106 I CA -0.375 60.900 61.300 -0.041 0.000 1.029 106 I CB 2.246 40.130 38.000 -0.194 0.000 1.282 106 I HN 0.057 nan 8.210 nan 0.000 0.426 107 Q N 6.898 126.623 119.800 -0.124 0.000 2.495 107 Q HA 0.573 4.913 4.340 0.000 0.000 0.287 107 Q C -2.653 173.272 176.000 -0.124 0.000 1.078 107 Q CA -1.821 53.879 55.803 -0.173 0.000 0.793 107 Q CB 2.411 30.965 28.738 -0.307 0.000 1.459 107 Q HN 0.401 nan 8.270 nan 0.000 0.422 108 P HA 0.096 nan 4.420 nan 0.000 0.273 108 P C 0.200 177.456 177.300 -0.074 0.000 1.250 108 P CA 0.482 63.540 63.100 -0.069 0.000 0.793 108 P CB 0.622 32.284 31.700 -0.063 0.000 1.011 109 G N -1.708 107.056 108.800 -0.061 0.000 2.229 109 G HA2 -0.095 3.865 3.960 0.000 0.000 0.189 109 G HA3 -0.095 3.865 3.960 0.000 0.000 0.189 109 G C 0.509 175.382 174.900 -0.046 0.000 1.000 109 G CA -0.054 45.010 45.100 -0.059 0.000 0.663 109 G HN 0.868 nan 8.290 nan 0.000 0.493 110 G N -0.192 108.591 108.800 -0.029 0.000 2.588 110 G HA2 0.479 4.439 3.960 0.000 0.000 0.278 110 G HA3 0.479 4.439 3.960 0.000 0.000 0.278 110 G C 0.888 175.769 174.900 -0.030 0.000 1.307 110 G CA 0.394 45.485 45.100 -0.016 0.000 1.016 110 G HN 0.291 nan 8.290 nan 0.000 0.503 111 K N -0.462 119.923 120.400 -0.025 0.000 2.228 111 K HA -0.027 4.293 4.320 0.000 0.000 0.202 111 K C 1.905 178.477 176.600 -0.047 0.000 1.051 111 K CA 0.862 57.127 56.287 -0.036 0.000 0.960 111 K CB 0.088 32.573 32.500 -0.024 0.000 0.743 111 K HN 0.274 nan 8.250 nan 0.000 0.458 112 N N 1.358 120.035 118.700 -0.038 0.000 2.395 112 N HA -0.076 4.664 4.740 0.000 0.000 0.175 112 N C -0.204 175.261 175.510 -0.074 0.000 1.029 112 N CA 0.980 53.995 53.050 -0.059 0.000 0.897 112 N CB 0.247 38.690 38.487 -0.074 0.000 0.991 112 N HN 0.283 nan 8.380 nan 0.000 0.441 113 D N -0.704 119.669 120.400 -0.045 0.000 2.861 113 D HA 0.158 4.798 4.640 0.000 0.000 0.357 113 D C -2.072 174.178 176.300 -0.083 0.000 1.250 113 D CA -1.576 52.391 54.000 -0.054 0.000 0.802 113 D CB 0.967 41.801 40.800 0.058 0.000 1.141 113 D HN 0.034 nan 8.370 nan 0.000 0.489 114 P HA -0.152 nan 4.420 nan 0.000 0.218 114 P C 1.181 178.399 177.300 -0.137 0.000 1.149 114 P CA 0.517 63.538 63.100 -0.131 0.000 0.817 114 P CB 0.636 32.233 31.700 -0.171 0.000 0.785 115 V N -1.100 118.713 119.914 -0.168 0.000 2.672 115 V HA 0.371 4.491 4.120 0.000 0.000 0.242 115 V C 1.284 177.315 176.094 -0.105 0.000 1.059 115 V CA 1.268 63.482 62.300 -0.144 0.000 1.081 115 V CB -0.344 31.371 31.823 -0.180 0.000 0.752 115 V HN 0.225 nan 8.190 nan 0.000 0.472 116 A N -0.991 121.745 122.820 -0.139 0.000 2.601 116 A HA 0.700 5.020 4.320 0.000 0.000 0.291 116 A C -1.736 175.792 177.584 -0.094 0.000 1.075 116 A CA -0.333 51.648 52.037 -0.094 0.000 0.671 116 A CB 1.708 20.668 19.000 -0.067 0.000 1.277 116 A HN -0.054 nan 8.150 nan 0.000 0.417 117 V N 2.115 122.063 119.914 0.057 0.000 2.376 117 V HA 0.560 4.680 4.120 0.000 0.000 0.287 117 V C -0.814 175.504 176.094 0.372 0.000 1.015 117 V CA -0.338 62.049 62.300 0.145 0.000 0.834 117 V CB 0.714 32.544 31.823 0.013 0.000 1.001 117 V HN 0.704 nan 8.190 nan 0.000 0.428 118 F N 1.200 121.226 119.950 0.126 0.000 2.362 118 F HA 0.522 5.049 4.527 0.000 0.000 0.340 118 F C 0.900 176.744 175.800 0.074 0.000 1.088 118 F CA -1.744 56.311 58.000 0.091 0.000 1.096 118 F CB 0.420 39.480 39.000 0.100 0.000 1.486 118 F HN 0.454 nan 8.300 nan 0.000 0.500 119 D N -0.488 120.050 120.400 0.229 0.000 2.406 119 D HA 0.405 5.045 4.640 0.000 0.000 0.234 119 D C 0.321 176.687 176.300 0.110 0.000 1.196 119 D CA 0.722 54.785 54.000 0.106 0.000 0.881 119 D CB 0.318 41.163 40.800 0.076 0.000 1.205 119 D HN 0.700 nan 8.370 nan 0.000 0.453 120 G N -1.664 107.152 108.800 0.026 0.000 2.649 120 G HA2 0.702 4.662 3.960 0.000 0.000 0.290 120 G HA3 0.702 4.662 3.960 0.000 0.000 0.290 120 G C -1.845 173.000 174.900 -0.091 0.000 1.426 120 G CA -0.375 44.721 45.100 -0.007 0.000 0.794 120 G HN 0.621 nan 8.290 nan 0.000 0.483 121 A N -0.872 121.862 122.820 -0.144 0.000 2.479 121 A HA 0.879 5.199 4.320 0.000 0.000 0.296 121 A C -1.179 176.232 177.584 -0.289 0.000 1.121 121 A CA -0.637 51.277 52.037 -0.204 0.000 0.743 121 A CB 1.992 20.854 19.000 -0.231 0.000 1.323 121 A HN 1.381 nan 8.150 nan 0.000 0.415 122 V N 1.472 121.206 119.914 -0.300 0.000 2.555 122 V HA 0.407 4.527 4.120 0.000 0.000 0.302 122 V C -0.460 175.383 176.094 -0.419 0.000 1.038 122 V CA -0.256 61.813 62.300 -0.384 0.000 0.887 122 V CB 1.589 33.117 31.823 -0.492 0.000 0.991 122 V HN 0.699 nan 8.190 nan 0.000 0.434 123 I N 6.835 127.096 120.570 -0.515 0.000 2.307 123 I HA 0.255 4.425 4.170 0.000 0.000 0.289 123 I C -1.494 174.392 176.117 -0.383 0.000 1.021 123 I CA -1.759 59.125 61.300 -0.693 0.000 1.224 123 I CB 2.054 39.558 38.000 -0.827 0.000 1.376 123 I HN 0.478 nan 8.210 nan 0.000 0.470 124 P HA -0.165 nan 4.420 nan 0.000 0.215 124 P C 0.267 177.545 177.300 -0.036 0.000 1.163 124 P CA 1.205 64.284 63.100 -0.034 0.000 0.894 124 P CB 0.145 31.947 31.700 0.170 0.000 0.791 125 V N -0.495 119.450 119.914 0.053 0.000 2.240 125 V HA 0.472 4.592 4.120 0.000 0.000 0.265 125 V C 0.934 177.022 176.094 -0.011 0.000 1.073 125 V CA -0.002 62.328 62.300 0.050 0.000 0.857 125 V CB 0.208 32.121 31.823 0.150 0.000 1.114 125 V HN 0.118 nan 8.190 nan 0.000 0.469 126 G N 2.874 111.531 108.800 -0.238 0.000 3.271 126 G HA2 0.472 4.432 3.960 0.000 0.000 0.174 126 G HA3 0.472 4.432 3.960 0.000 0.000 0.174 126 G C 0.010 174.507 174.900 -0.671 0.000 1.385 126 G CA -0.530 44.181 45.100 -0.650 0.000 0.979 126 G HN 0.326 nan 8.290 nan 0.000 0.610 127 V N 1.803 121.272 119.914 -0.743 0.000 2.694 127 V HA 0.056 4.176 4.120 0.000 0.000 0.306 127 V C 0.580 176.548 176.094 -0.209 0.000 1.054 127 V CA 0.658 62.715 62.300 -0.404 0.000 1.161 127 V CB 0.693 32.345 31.823 -0.285 0.000 0.916 127 V HN 0.757 nan 8.190 nan 0.000 0.490 128 N N 3.187 121.821 118.700 -0.109 0.000 2.708 128 N HA -0.220 4.520 4.740 0.000 0.000 0.251 128 N C 0.501 175.973 175.510 -0.065 0.000 1.123 128 N CA 1.146 54.155 53.050 -0.068 0.000 0.739 128 N CB -1.439 37.003 38.487 -0.074 0.000 1.113 128 N HN 0.881 nan 8.380 nan 0.000 0.561 129 N N -2.611 116.048 118.700 -0.068 0.000 2.714 129 N HA -0.207 4.533 4.740 0.000 0.000 0.250 129 N C -0.062 175.411 175.510 -0.062 0.000 1.117 129 N CA 1.747 54.775 53.050 -0.037 0.000 0.719 129 N CB -1.733 36.755 38.487 0.002 0.000 1.081 129 N HN 0.822 nan 8.380 nan 0.000 0.557 130 T N -3.557 110.926 114.554 -0.118 0.000 2.950 130 T HA 0.596 4.946 4.350 0.000 0.000 0.288 130 T C -3.017 171.568 174.700 -0.191 0.000 1.035 130 T CA -2.073 59.947 62.100 -0.133 0.000 1.028 130 T CB 2.983 71.763 68.868 -0.147 0.000 1.109 130 T HN -0.286 nan 8.240 nan 0.000 0.514 131 P HA 0.189 nan 4.420 nan 0.000 0.260 131 P C -0.660 176.501 177.300 -0.232 0.000 1.185 131 P CA 0.271 63.167 63.100 -0.340 0.000 0.763 131 P CB 0.133 31.495 31.700 -0.564 0.000 0.776 132 T N 4.660 119.061 114.554 -0.255 0.000 2.792 132 T HA 0.425 4.775 4.350 0.000 0.000 0.280 132 T C -0.409 174.163 174.700 -0.213 0.000 0.990 132 T CA -0.476 61.518 62.100 -0.177 0.000 0.960 132 T CB 0.597 69.268 68.868 -0.328 0.000 0.939 132 T HN 0.131 nan 8.240 nan 0.000 0.439 133 L N 4.674 125.806 121.223 -0.152 0.000 2.276 133 L HA 0.688 5.028 4.340 0.000 0.000 0.286 133 L C -1.035 175.746 176.870 -0.148 0.000 1.061 133 L CA -0.714 53.929 54.840 -0.327 0.000 0.807 133 L CB 0.714 42.342 42.059 -0.718 0.000 1.177 133 L HN 0.526 nan 8.230 nan 0.000 0.429 134 L N 7.430 128.542 121.223 -0.184 0.000 2.280 134 L HA 0.561 4.901 4.340 0.000 0.000 0.287 134 L C -1.072 175.736 176.870 -0.102 0.000 1.023 134 L CA -0.183 54.540 54.840 -0.194 0.000 0.819 134 L CB 0.746 42.606 42.059 -0.332 0.000 1.212 134 L HN 0.681 nan 8.230 nan 0.000 0.420 135 Y N 0.848 121.019 120.300 -0.214 0.000 2.609 135 Y HA 0.737 5.287 4.550 -0.000 0.000 0.342 135 Y C -0.562 175.265 175.900 -0.122 0.000 1.058 135 Y CA -1.132 56.873 58.100 -0.158 0.000 1.055 135 Y CB 1.004 39.373 38.460 -0.151 0.000 1.292 135 Y HN 0.377 nan 8.280 nan 0.000 0.476 136 T N 2.819 117.380 114.554 0.011 0.000 2.723 136 T HA 0.334 4.684 4.350 0.000 0.000 0.297 136 T C -0.450 174.215 174.700 -0.058 0.000 0.925 136 T CA -0.549 61.507 62.100 -0.073 0.000 1.030 136 T CB -0.209 68.718 68.868 0.098 0.000 0.905 136 T HN 0.669 nan 8.240 nan 0.000 0.502 137 S N 2.793 118.325 115.700 -0.280 0.000 2.475 137 S HA 0.555 5.025 4.470 0.000 0.000 0.281 137 S C -0.015 174.479 174.600 -0.177 0.000 1.198 137 S CA -0.925 57.170 58.200 -0.176 0.000 1.063 137 S CB 0.903 63.933 63.200 -0.283 0.000 0.972 137 S HN 0.415 nan 8.310 nan 0.000 0.486 138 V N 3.198 122.972 119.914 -0.234 0.000 2.472 138 V HA 0.412 4.532 4.120 0.000 0.000 0.290 138 V C 0.473 176.423 176.094 -0.239 0.000 1.037 138 V CA -0.464 61.651 62.300 -0.308 0.000 0.908 138 V CB 1.582 33.031 31.823 -0.623 0.000 0.985 138 V HN 1.051 nan 8.190 nan 0.000 0.454 139 S N 2.762 118.329 115.700 -0.222 0.000 2.604 139 S HA 0.456 4.926 4.470 0.000 0.000 0.235 139 S C -0.311 173.798 174.600 -0.819 0.000 1.043 139 S CA 0.127 58.055 58.200 -0.454 0.000 0.997 139 S CB 0.266 63.211 63.200 -0.424 0.000 0.956 139 S HN 0.547 nan 8.310 nan 0.000 0.535 140 F N 0.680 120.565 119.950 -0.107 0.000 2.619 140 F HA 0.637 5.164 4.527 -0.000 0.000 0.308 140 F C -0.660 175.086 175.800 -0.090 0.000 1.097 140 F CA -0.903 57.042 58.000 -0.092 0.000 0.953 140 F CB 1.450 40.388 39.000 -0.102 0.000 1.287 140 F HN -0.167 nan 8.300 nan 0.000 0.446 141 L N 2.610 123.912 121.223 0.132 0.000 2.424 141 L HA 0.625 4.965 4.340 0.000 0.000 0.258 141 L C -2.217 174.700 176.870 0.080 0.000 0.995 141 L CA -1.717 53.177 54.840 0.091 0.000 0.821 141 L CB 2.635 44.741 42.059 0.079 0.000 1.383 141 L HN 0.494 nan 8.230 nan 0.000 0.410 142 P HA 0.516 nan 4.420 nan 0.000 0.279 142 P C -1.277 176.074 177.300 0.085 0.000 1.276 142 P CA -0.376 62.773 63.100 0.082 0.000 0.801 142 P CB 1.551 33.285 31.700 0.055 0.000 1.127 143 I N 0.342 121.004 120.570 0.152 0.000 2.534 143 I HA 0.323 4.493 4.170 0.000 0.000 0.286 143 I C -0.392 175.895 176.117 0.282 0.000 1.094 143 I CA -0.401 61.008 61.300 0.183 0.000 1.055 143 I CB 1.557 39.699 38.000 0.237 0.000 1.225 143 I HN 0.452 nan 8.210 nan 0.000 0.435 144 H N 6.114 125.259 119.070 0.125 0.000 3.079 144 H HA 0.133 4.689 4.556 0.000 0.000 0.356 144 H C -0.239 175.125 175.328 0.061 0.000 1.221 144 H CA -0.728 55.339 56.048 0.032 0.000 1.185 144 H CB 2.285 31.952 29.762 -0.158 0.000 1.882 144 H HN 0.809 nan 8.280 nan 0.000 0.543 145 W N 3.057 124.139 121.300 -0.363 0.000 2.421 145 W HA -0.110 4.550 4.660 0.000 0.000 0.270 145 W C 0.780 177.290 176.519 -0.014 0.000 1.233 145 W CA 1.135 58.357 57.345 -0.206 0.000 1.226 145 W CB -0.939 28.356 29.460 -0.275 0.000 1.121 145 W HN 0.394 nan 8.180 nan 0.000 0.579 146 S N 0.915 116.245 115.700 -0.616 0.000 2.593 146 S HA 0.143 4.613 4.470 0.000 0.000 0.217 146 S C 0.781 175.348 174.600 -0.054 0.000 0.966 146 S CA 0.214 58.138 58.200 -0.460 0.000 0.914 146 S CB -0.913 61.706 63.200 -0.969 0.000 0.776 146 S HN 0.408 nan 8.310 nan 0.000 0.523 147 I N -3.069 117.547 120.570 0.077 0.000 3.042 147 I HA 0.689 4.859 4.170 0.000 0.000 0.310 147 I C -3.253 172.936 176.117 0.120 0.000 1.117 147 I CA -3.324 58.016 61.300 0.066 0.000 1.003 147 I CB 1.098 39.108 38.000 0.016 0.000 1.228 147 I HN -0.294 nan 8.210 nan 0.000 0.443 148 P HA 0.018 nan 4.420 nan 0.000 0.266 148 P C -1.552 175.804 177.300 0.093 0.000 1.195 148 P CA 0.486 63.561 63.100 -0.041 0.000 0.768 148 P CB 0.055 31.716 31.700 -0.065 0.000 0.838 149 Y N 2.403 122.713 120.300 0.016 0.000 2.336 149 Y HA 0.193 4.744 4.550 0.000 0.000 0.335 149 Y C 0.308 176.209 175.900 0.003 0.000 1.046 149 Y CA 0.128 58.274 58.100 0.076 0.000 1.198 149 Y CB 0.533 39.068 38.460 0.125 0.000 1.182 149 Y HN 0.234 nan 8.280 nan 0.000 0.502 150 T N 7.482 121.843 114.554 -0.321 0.000 2.737 150 T HA 0.161 4.511 4.350 0.000 0.000 0.296 150 T C -0.084 174.466 174.700 -0.250 0.000 0.922 150 T CA -0.521 61.399 62.100 -0.300 0.000 1.079 150 T CB -0.024 68.603 68.868 -0.401 0.000 0.892 150 T HN 0.526 nan 8.240 nan 0.000 0.514 151 R N 2.482 122.942 120.500 -0.066 0.000 2.566 151 R HA 0.275 4.615 4.340 0.000 0.000 0.273 151 R C 1.461 177.739 176.300 -0.036 0.000 0.981 151 R CA 1.549 57.689 56.100 0.065 0.000 1.091 151 R CB -0.609 29.696 30.300 0.009 0.000 0.924 151 R HN 0.948 nan 8.270 nan 0.000 0.411 152 G N 1.975 110.859 108.800 0.139 0.000 2.179 152 G HA2 -0.325 3.635 3.960 0.000 0.000 0.260 152 G HA3 -0.325 3.635 3.960 0.000 0.000 0.260 152 G C 1.001 176.075 174.900 0.289 0.000 0.977 152 G CA 0.610 45.823 45.100 0.188 0.000 0.641 152 G HN 0.602 nan 8.290 nan 0.000 0.533 153 S N 0.177 115.980 115.700 0.172 0.000 2.359 153 S HA 0.032 4.502 4.470 0.000 0.000 0.224 153 S C 0.877 175.551 174.600 0.123 0.000 1.035 153 S CA 1.796 60.072 58.200 0.127 0.000 1.018 153 S CB -0.036 62.977 63.200 -0.313 0.000 0.876 153 S HN 0.785 nan 8.310 nan 0.000 0.448 154 E N 0.731 121.074 120.200 0.238 0.000 2.218 154 E HA 0.444 4.794 4.350 0.000 0.000 0.263 154 E C -0.660 176.071 176.600 0.217 0.000 0.879 154 E CA -0.476 56.039 56.400 0.192 0.000 0.762 154 E CB 1.967 31.848 29.700 0.302 0.000 1.166 154 E HN 0.312 nan 8.360 nan 0.000 0.415 155 T N -0.041 114.543 114.554 0.050 0.000 2.916 155 T HA 0.423 4.773 4.350 0.000 0.000 0.292 155 T C -0.540 174.062 174.700 -0.163 0.000 1.064 155 T CA -1.178 60.928 62.100 0.010 0.000 1.011 155 T CB 1.589 70.448 68.868 -0.016 0.000 1.152 155 T HN 0.139 nan 8.240 nan 0.000 0.510 156 Q N 1.275 120.941 119.800 -0.223 0.000 2.325 156 Q HA 0.661 5.001 4.340 0.000 0.000 0.262 156 Q C -0.734 175.023 176.000 -0.405 0.000 0.968 156 Q CA -0.526 55.053 55.803 -0.373 0.000 0.877 156 Q CB 1.787 30.270 28.738 -0.425 0.000 1.253 156 Q HN 0.732 nan 8.270 nan 0.000 0.448 157 S N 1.640 116.972 115.700 -0.614 0.000 2.689 157 S HA 0.720 5.190 4.470 0.000 0.000 0.306 157 S C -0.192 174.181 174.600 -0.379 0.000 1.104 157 S CA -0.692 57.197 58.200 -0.517 0.000 0.973 157 S CB 1.260 64.101 63.200 -0.599 0.000 1.121 157 S HN 0.417 nan 8.310 nan 0.000 0.523 158 L N 1.222 122.365 121.223 -0.133 0.000 2.330 158 L HA 0.900 5.240 4.340 0.000 0.000 0.271 158 L C -0.213 176.726 176.870 0.116 0.000 1.013 158 L CA -0.635 54.201 54.840 -0.007 0.000 0.816 158 L CB 1.653 43.700 42.059 -0.020 0.000 1.287 158 L HN 0.765 nan 8.230 nan 0.000 0.435 159 A N 1.970 124.868 122.820 0.131 0.000 2.574 159 A HA 0.795 5.115 4.320 0.000 0.000 0.297 159 A C -1.494 176.214 177.584 0.207 0.000 1.062 159 A CA -0.459 51.681 52.037 0.171 0.000 0.686 159 A CB 1.943 21.060 19.000 0.196 0.000 1.285 159 A HN 0.324 nan 8.150 nan 0.000 0.403 160 V N 1.103 121.094 119.914 0.128 0.000 2.628 160 V HA 0.694 4.814 4.120 0.000 0.000 0.306 160 V C 0.746 176.658 176.094 -0.304 0.000 1.045 160 V CA -0.276 62.012 62.300 -0.020 0.000 0.905 160 V CB 1.733 33.498 31.823 -0.097 0.000 0.997 160 V HN 1.468 nan 8.190 nan 0.000 0.436 161 A N 5.872 128.275 122.820 -0.695 0.000 2.450 161 A HA 0.637 4.957 4.320 0.000 0.000 0.255 161 A C 0.180 177.454 177.584 -0.516 0.000 1.096 161 A CA -0.124 51.234 52.037 -1.132 0.000 0.778 161 A CB 0.058 18.396 19.000 -1.102 0.000 1.031 161 A HN 0.719 nan 8.150 nan 0.000 0.494 162 R N 1.210 121.459 120.500 -0.418 0.000 2.939 162 R HA 0.337 4.677 4.340 0.000 0.000 0.254 162 R C -0.612 175.593 176.300 -0.157 0.000 1.123 162 R CA -0.773 55.196 56.100 -0.217 0.000 1.020 162 R CB 0.488 30.696 30.300 -0.153 0.000 1.206 162 R HN 0.859 nan 8.270 nan 0.000 0.491 163 D N 0.495 120.840 120.400 -0.092 0.000 2.755 163 D HA -0.184 4.456 4.640 0.000 0.000 0.227 163 D C 0.769 177.049 176.300 -0.034 0.000 1.211 163 D CA 1.782 55.752 54.000 -0.051 0.000 0.663 163 D CB -0.967 39.812 40.800 -0.037 0.000 0.983 163 D HN 0.890 nan 8.370 nan 0.000 0.407 164 G N -0.220 108.563 108.800 -0.029 0.000 2.155 164 G HA2 -0.046 3.914 3.960 0.000 0.000 0.257 164 G HA3 -0.046 3.914 3.960 0.000 0.000 0.257 164 G C 1.387 176.340 174.900 0.088 0.000 0.983 164 G CA 0.856 45.974 45.100 0.030 0.000 0.676 164 G HN 1.803 nan 8.290 nan 0.000 0.528 165 G N -1.180 107.599 108.800 -0.036 0.000 2.157 165 G HA2 -0.277 3.683 3.960 0.000 0.000 0.239 165 G HA3 -0.277 3.683 3.960 0.000 0.000 0.239 165 G C 0.902 175.828 174.900 0.043 0.000 0.982 165 G CA 1.034 46.098 45.100 -0.060 0.000 0.650 165 G HN 0.970 nan 8.290 nan 0.000 0.527 166 R N -0.277 120.239 120.500 0.027 0.000 2.339 166 R HA 0.200 4.540 4.340 0.000 0.000 0.199 166 R C 1.117 177.436 176.300 0.031 0.000 1.018 166 R CA 0.944 57.071 56.100 0.045 0.000 1.036 166 R CB 0.190 30.506 30.300 0.027 0.000 0.899 166 R HN 0.461 nan 8.270 nan 0.000 0.473 167 R N -0.383 120.096 120.500 -0.034 0.000 2.664 167 R HA 0.189 4.529 4.340 0.000 0.000 0.260 167 R C -1.941 174.258 176.300 -0.168 0.000 1.062 167 R CA -0.561 55.533 56.100 -0.011 0.000 0.902 167 R CB 1.029 31.320 30.300 -0.015 0.000 1.258 167 R HN -0.094 nan 8.270 nan 0.000 0.465 168 F N 1.955 121.872 119.950 -0.055 0.000 2.460 168 F HA 0.330 4.857 4.527 -0.000 0.000 0.341 168 F C -0.431 175.321 175.800 -0.079 0.000 1.130 168 F CA -0.504 57.444 58.000 -0.087 0.000 0.962 168 F CB 1.794 40.715 39.000 -0.131 0.000 1.171 168 F HN 0.315 nan 8.300 nan 0.000 0.436 169 D N 4.415 124.830 120.400 0.025 0.000 2.280 169 D HA 0.174 4.814 4.640 0.000 0.000 0.243 169 D C -0.210 176.121 176.300 0.053 0.000 1.129 169 D CA -0.414 53.597 54.000 0.019 0.000 0.848 169 D CB 1.126 41.910 40.800 -0.025 0.000 1.107 169 D HN 0.370 nan 8.370 nan 0.000 0.471 170 K N 1.745 122.181 120.400 0.060 0.000 2.448 170 K HA 0.157 4.477 4.320 0.000 0.000 0.278 170 K C 0.400 177.029 176.600 0.048 0.000 1.009 170 K CA -0.252 56.088 56.287 0.088 0.000 0.995 170 K CB 0.825 33.383 32.500 0.097 0.000 0.917 170 K HN 0.276 nan 8.250 nan 0.000 0.481 171 L N 2.176 123.424 121.223 0.042 0.000 2.456 171 L HA -0.022 4.318 4.340 0.000 0.000 0.272 171 L C 0.654 177.529 176.870 0.008 0.000 1.189 171 L CA -0.113 54.733 54.840 0.011 0.000 0.846 171 L CB 0.231 42.289 42.059 -0.000 0.000 1.111 171 L HN 0.646 nan 8.230 nan 0.000 0.475 172 D N 3.093 123.493 120.400 -0.000 0.000 2.688 172 D HA 0.139 4.779 4.640 0.000 0.000 0.228 172 D C -0.205 176.092 176.300 -0.004 0.000 1.116 172 D CA 0.070 54.069 54.000 -0.002 0.000 1.023 172 D CB 0.084 40.882 40.800 -0.004 0.000 1.100 172 D HN 0.537 nan 8.370 nan 0.000 0.487 173 Q N -0.587 119.209 119.800 -0.006 0.000 2.738 173 Q HA 0.584 4.924 4.340 0.000 0.000 0.301 173 Q C -0.067 175.924 176.000 -0.016 0.000 0.901 173 Q CA -1.406 54.391 55.803 -0.010 0.000 0.756 173 Q CB 0.285 29.015 28.738 -0.014 0.000 1.463 173 Q HN 0.072 nan 8.270 nan 0.000 0.432 174 G N 0.531 109.322 108.800 -0.015 0.000 2.588 174 G HA2 0.504 4.464 3.960 0.000 0.000 0.278 174 G HA3 0.504 4.464 3.960 0.000 0.000 0.278 174 G C -2.270 172.605 174.900 -0.041 0.000 1.307 174 G CA -1.091 43.996 45.100 -0.022 0.000 1.016 174 G HN 0.595 nan 8.290 nan 0.000 0.503 175 P HA 0.040 nan 4.420 nan 0.000 0.269 175 P C 1.140 178.408 177.300 -0.052 0.000 1.209 175 P CA -0.030 63.013 63.100 -0.094 0.000 0.776 175 P CB 1.286 32.923 31.700 -0.103 0.000 0.876 176 V N -0.074 119.801 119.914 -0.066 0.000 3.306 176 V HA 0.159 4.279 4.120 0.000 0.000 0.264 176 V C 1.035 177.163 176.094 0.057 0.000 1.149 176 V CA 0.939 63.254 62.300 0.025 0.000 1.143 176 V CB -0.797 31.106 31.823 0.133 0.000 0.767 176 V HN 0.324 nan 8.190 nan 0.000 0.476 177 I N 1.032 121.566 120.570 -0.060 0.000 2.623 177 I HA 0.542 4.712 4.170 0.000 0.000 0.275 177 I C 1.006 177.124 176.117 0.002 0.000 1.108 177 I CA -0.137 61.138 61.300 -0.043 0.000 1.120 177 I CB 1.426 39.279 38.000 -0.245 0.000 1.249 177 I HN 0.071 nan 8.210 nan 0.000 0.500 178 A N 3.138 125.980 122.820 0.037 0.000 2.238 178 A HA 0.130 4.450 4.320 0.000 0.000 0.208 178 A C 0.313 177.912 177.584 0.025 0.000 1.177 178 A CA 0.822 52.877 52.037 0.030 0.000 0.804 178 A CB -0.202 18.818 19.000 0.032 0.000 0.823 178 A HN 0.640 nan 8.150 nan 0.000 0.482 179 D N -2.167 118.238 120.400 0.009 0.000 2.648 179 D HA 0.343 4.983 4.640 0.000 0.000 0.244 179 D C -0.622 175.463 176.300 -0.357 0.000 1.244 179 D CA -0.590 53.316 54.000 -0.157 0.000 0.772 179 D CB 0.622 41.296 40.800 -0.209 0.000 1.379 179 D HN 0.358 nan 8.370 nan 0.000 0.428 180 H N -0.825 117.873 119.070 -0.619 0.000 2.581 180 H HA 0.608 5.164 4.556 -0.000 0.000 0.369 180 H C -2.314 172.531 175.328 -0.806 0.000 1.351 180 H CA -1.467 53.669 56.048 -1.521 0.000 1.434 180 H CB -1.015 27.832 29.762 -1.526 0.000 1.558 180 H HN 0.023 nan 8.280 nan 0.000 0.608 181 P HA -0.114 nan 4.420 nan 0.000 0.263 181 P C -0.550 176.696 177.300 -0.090 0.000 1.175 181 P CA 0.316 63.164 63.100 -0.420 0.000 0.761 181 P CB 0.072 31.472 31.700 -0.500 0.000 0.794 182 F N 4.131 123.993 119.950 -0.146 0.000 2.593 182 F HA 0.134 4.661 4.527 -0.000 0.000 0.393 182 F C 1.286 177.086 175.800 -0.001 0.000 1.037 182 F CA 0.858 58.813 58.000 -0.074 0.000 1.195 182 F CB -0.572 38.410 39.000 -0.031 0.000 1.034 182 F HN 0.641 nan 8.300 nan 0.000 0.552 183 A N 3.287 125.634 122.820 -0.789 0.000 2.945 183 A HA -0.220 4.100 4.320 0.000 0.000 0.263 183 A C 0.072 177.524 177.584 -0.221 0.000 1.293 183 A CA 0.948 52.614 52.037 -0.618 0.000 0.944 183 A CB -2.706 15.784 19.000 -0.850 0.000 1.093 183 A HN 0.661 nan 8.150 nan 0.000 0.786 184 V N 1.255 121.112 119.914 -0.094 0.000 2.432 184 V HA 0.325 4.445 4.120 0.000 0.000 0.275 184 V C 0.649 176.614 176.094 -0.216 0.000 1.043 184 V CA 0.251 62.498 62.300 -0.089 0.000 0.925 184 V CB 1.533 33.326 31.823 -0.049 0.000 0.985 184 V HN 0.443 nan 8.190 nan 0.000 0.466 185 D N 4.567 124.883 120.400 -0.140 0.000 2.608 185 D HA 0.126 4.766 4.640 0.000 0.000 0.224 185 D C 0.302 176.528 176.300 -0.123 0.000 1.123 185 D CA -0.135 53.786 54.000 -0.130 0.000 1.030 185 D CB 0.203 41.000 40.800 -0.005 0.000 1.093 185 D HN 0.463 nan 8.370 nan 0.000 0.497 186 V N 1.030 120.671 119.914 -0.455 0.000 2.843 186 V HA 0.202 4.322 4.120 0.000 0.000 0.305 186 V C 1.468 177.376 176.094 -0.310 0.000 1.065 186 V CA 0.337 62.407 62.300 -0.383 0.000 1.116 186 V CB 0.827 32.266 31.823 -0.640 0.000 0.968 186 V HN 0.414 nan 8.190 nan 0.000 0.487 187 T N -0.060 114.364 114.554 -0.217 0.000 3.051 187 T HA 0.615 4.965 4.350 0.000 0.000 0.255 187 T C 0.597 175.364 174.700 0.112 0.000 1.085 187 T CA 0.512 62.499 62.100 -0.188 0.000 1.109 187 T CB 0.063 68.788 68.868 -0.238 0.000 0.921 187 T HN 1.909 nan 8.240 nan 0.000 0.488 188 A N 0.280 123.145 122.820 0.076 0.000 2.594 188 A HA 0.644 4.964 4.320 0.000 0.000 0.296 188 A C -1.996 175.802 177.584 0.357 0.000 1.056 188 A CA -0.830 51.387 52.037 0.300 0.000 0.693 188 A CB 0.794 19.995 19.000 0.335 0.000 1.278 188 A HN 0.256 nan 8.150 nan 0.000 0.408 189 F N 2.228 122.307 119.950 0.215 0.000 2.766 189 F HA 0.500 5.027 4.527 0.000 0.000 0.355 189 F C 0.125 176.059 175.800 0.225 0.000 1.434 189 F CA -0.197 57.897 58.000 0.157 0.000 1.139 189 F CB 0.349 39.337 39.000 -0.020 0.000 1.816 189 F HN 0.861 nan 8.300 nan 0.000 0.600 190 R N 1.215 121.785 120.500 0.116 0.000 2.870 190 R HA 0.866 5.206 4.340 0.000 0.000 0.262 190 R C -0.161 176.194 176.300 0.093 0.000 1.112 190 R CA -0.852 55.299 56.100 0.085 0.000 0.976 190 R CB 0.808 31.291 30.300 0.304 0.000 1.261 190 R HN 0.691 nan 8.270 nan 0.000 0.453 191 A N -0.078 122.812 122.820 0.116 0.000 2.648 191 A HA -0.074 4.246 4.320 0.000 0.000 0.297 191 A C -2.079 175.577 177.584 0.120 0.000 1.467 191 A CA 0.240 52.352 52.037 0.126 0.000 0.731 191 A CB -1.865 17.223 19.000 0.147 0.000 1.085 191 A HN 0.627 nan 8.150 nan 0.000 0.437 192 P HA 0.413 nan 4.420 nan 0.000 0.268 192 P C -0.492 176.908 177.300 0.167 0.000 1.204 192 P CA 0.406 63.529 63.100 0.039 0.000 0.768 192 P CB 0.492 32.106 31.700 -0.143 0.000 0.842 193 F N 4.253 124.272 119.950 0.115 0.000 2.536 193 F HA 0.361 4.888 4.527 -0.000 0.000 0.322 193 F C -0.568 175.434 175.800 0.337 0.000 1.144 193 F CA -0.876 57.246 58.000 0.203 0.000 0.924 193 F CB 1.598 40.738 39.000 0.234 0.000 1.181 193 F HN 0.204 nan 8.300 nan 0.000 0.438 194 V N 4.560 124.399 119.914 -0.125 0.000 2.617 194 V HA 0.825 4.945 4.120 0.000 0.000 0.298 194 V C -0.922 175.475 176.094 0.506 0.000 1.048 194 V CA -0.634 61.781 62.300 0.191 0.000 0.964 194 V CB 1.197 33.003 31.823 -0.028 0.000 1.004 194 V HN 0.831 nan 8.190 nan 0.000 0.466 195 F N 0.876 121.238 119.950 0.686 0.000 2.773 195 F HA 0.867 5.394 4.527 -0.000 0.000 0.314 195 F C -0.778 175.346 175.800 0.540 0.000 1.160 195 F CA -1.420 56.996 58.000 0.693 0.000 0.920 195 F CB 1.663 41.092 39.000 0.715 0.000 1.323 195 F HN 0.538 nan 8.300 nan 0.000 0.457 196 R N 0.644 121.406 120.500 0.438 0.000 2.803 196 R HA 0.771 5.111 4.340 0.000 0.000 0.276 196 R C -1.488 174.900 176.300 0.146 0.000 0.978 196 R CA -1.226 54.975 56.100 0.169 0.000 0.939 196 R CB 2.095 32.376 30.300 -0.032 0.000 1.179 196 R HN 0.815 nan 8.270 nan 0.000 0.472 197 S N 0.380 116.039 115.700 -0.068 0.000 2.626 197 S HA 0.385 4.855 4.470 0.000 0.000 0.275 197 S C 0.124 174.140 174.600 -0.974 0.000 1.175 197 S CA -0.207 57.578 58.200 -0.692 0.000 0.982 197 S CB 1.591 64.554 63.200 -0.396 0.000 1.093 197 S HN 0.746 nan 8.310 nan 0.000 0.472 198 A N 4.805 126.566 122.820 -1.766 0.000 1.858 198 A HA -0.028 4.292 4.320 0.000 0.000 0.216 198 A C 2.000 179.105 177.584 -0.799 0.000 1.190 198 A CA 1.649 52.475 52.037 -2.018 0.000 0.617 198 A CB -0.647 17.447 19.000 -1.509 0.000 0.827 198 A HN 0.873 nan 8.150 nan 0.000 0.443 199 R N -0.474 119.703 120.500 -0.537 0.000 2.091 199 R HA -0.108 4.232 4.340 0.000 0.000 0.238 199 R C 2.045 178.253 176.300 -0.153 0.000 1.136 199 R CA 1.654 57.608 56.100 -0.243 0.000 0.959 199 R CB -0.412 29.813 30.300 -0.124 0.000 0.856 199 R HN 0.541 nan 8.270 nan 0.000 0.437 200 L N 0.409 121.519 121.223 -0.187 0.000 2.017 200 L HA -0.206 4.134 4.340 0.000 0.000 0.208 200 L C 1.913 178.802 176.870 0.031 0.000 1.073 200 L CA 1.424 56.182 54.840 -0.135 0.000 0.745 200 L CB -0.450 41.283 42.059 -0.542 0.000 0.894 200 L HN 0.224 nan 8.230 nan 0.000 0.432 201 D N -0.522 119.916 120.400 0.063 0.000 2.123 201 D HA -0.163 4.477 4.640 0.000 0.000 0.196 201 D C 2.247 178.604 176.300 0.096 0.000 0.992 201 D CA 1.094 55.195 54.000 0.167 0.000 0.833 201 D CB -0.218 40.740 40.800 0.262 0.000 0.954 201 D HN 0.086 nan 8.370 nan 0.000 0.455 202 V N 0.661 120.585 119.914 0.018 0.000 2.307 202 V HA -0.173 3.947 4.120 0.000 0.000 0.245 202 V C 2.577 178.689 176.094 0.030 0.000 1.045 202 V CA 1.038 63.354 62.300 0.026 0.000 1.024 202 V CB -0.503 31.314 31.823 -0.011 0.000 0.651 202 V HN 0.201 nan 8.190 nan 0.000 0.449 203 L N -0.581 120.653 121.223 0.019 0.000 2.127 203 L HA -0.172 4.168 4.340 0.000 0.000 0.211 203 L C 2.197 179.097 176.870 0.050 0.000 1.089 203 L CA 1.418 56.276 54.840 0.031 0.000 0.757 203 L CB -0.416 41.663 42.059 0.033 0.000 0.899 203 L HN 0.323 nan 8.230 nan 0.000 0.434 204 L N -1.182 120.084 121.223 0.071 0.000 2.509 204 L HA -0.010 4.330 4.340 0.000 0.000 0.222 204 L C 2.456 179.366 176.870 0.067 0.000 1.123 204 L CA 0.585 55.474 54.840 0.083 0.000 0.856 204 L CB -0.133 42.004 42.059 0.129 0.000 0.985 204 L HN 0.312 nan 8.230 nan 0.000 0.456 205 S N -0.915 114.822 115.700 0.062 0.000 2.468 205 S HA 0.168 4.638 4.470 0.000 0.000 0.226 205 S C 0.947 175.570 174.600 0.038 0.000 1.051 205 S CA -0.309 57.922 58.200 0.051 0.000 0.943 205 S CB -0.159 63.078 63.200 0.060 0.000 0.810 205 S HN 0.131 nan 8.310 nan 0.000 0.509 206 L N 2.136 123.381 121.223 0.036 0.000 2.475 206 L HA 0.317 4.657 4.340 0.000 0.000 0.250 206 L C 0.303 177.188 176.870 0.024 0.000 1.224 206 L CA -0.573 54.284 54.840 0.028 0.000 0.821 206 L CB 0.081 42.154 42.059 0.024 0.000 1.141 206 L HN 0.248 nan 8.230 nan 0.000 0.494 207 D N 0.041 120.452 120.400 0.019 0.000 2.358 207 D HA -0.001 4.639 4.640 0.000 0.000 0.244 207 D C 0.964 177.274 176.300 0.017 0.000 1.163 207 D CA -0.129 53.881 54.000 0.017 0.000 0.945 207 D CB 0.972 41.780 40.800 0.013 0.000 1.152 207 D HN 0.591 nan 8.370 nan 0.000 0.451 208 E N 0.251 120.461 120.200 0.016 0.000 2.265 208 E HA -0.221 4.129 4.350 0.000 0.000 0.196 208 E C 0.661 177.268 176.600 0.011 0.000 0.996 208 E CA 1.249 57.658 56.400 0.015 0.000 0.832 208 E CB 0.110 29.819 29.700 0.014 0.000 0.756 208 E HN 0.256 nan 8.360 nan 0.000 0.491 209 E N 0.438 120.644 120.200 0.010 0.000 2.206 209 E HA 0.049 4.399 4.350 0.000 0.000 0.195 209 E C 1.995 178.599 176.600 0.007 0.000 0.935 209 E CA 0.402 56.807 56.400 0.007 0.000 0.875 209 E CB 0.284 29.987 29.700 0.006 0.000 0.841 209 E HN 0.072 nan 8.360 nan 0.000 0.477 210 V N 0.702 120.622 119.914 0.009 0.000 2.913 210 V HA -0.053 4.067 4.120 0.000 0.000 0.260 210 V C 1.655 177.755 176.094 0.010 0.000 1.098 210 V CA 1.569 63.875 62.300 0.009 0.000 1.121 210 V CB -0.412 31.418 31.823 0.011 0.000 0.714 210 V HN 0.261 nan 8.190 nan 0.000 0.487 211 A N -0.915 121.912 122.820 0.011 0.000 2.387 211 A HA 0.198 4.518 4.320 0.000 0.000 0.234 211 A C 1.932 179.520 177.584 0.007 0.000 1.253 211 A CA -0.150 51.894 52.037 0.011 0.000 0.894 211 A CB -0.099 18.911 19.000 0.017 0.000 0.963 211 A HN 0.281 nan 8.150 nan 0.000 0.508 212 R N 1.366 121.869 120.500 0.004 0.000 2.246 212 R HA 0.035 4.375 4.340 0.000 0.000 0.199 212 R C -0.168 176.130 176.300 -0.003 0.000 0.984 212 R CA 0.336 56.436 56.100 -0.000 0.000 1.015 212 R CB -0.272 30.027 30.300 -0.000 0.000 0.930 212 R HN 0.778 nan 8.270 nan 0.000 0.475 213 N N 0.487 119.186 118.700 -0.001 0.000 2.400 213 N HA 0.064 4.804 4.740 0.000 0.000 0.288 213 N C 0.037 175.545 175.510 -0.003 0.000 1.024 213 N CA -0.247 52.801 53.050 -0.003 0.000 0.894 213 N CB 1.617 40.103 38.487 -0.001 0.000 1.173 213 N HN -0.105 nan 8.380 nan 0.000 0.487 214 E N 0.941 121.138 120.200 -0.006 0.000 2.204 214 E HA -0.143 4.207 4.350 0.000 0.000 0.195 214 E C 0.847 177.446 176.600 -0.002 0.000 0.990 214 E CA 1.558 57.954 56.400 -0.006 0.000 0.821 214 E CB -0.105 29.590 29.700 -0.009 0.000 0.750 214 E HN 0.680 nan 8.360 nan 0.000 0.477 215 T N 1.131 115.685 114.554 -0.000 0.000 2.652 215 T HA -0.209 4.141 4.350 0.000 0.000 0.267 215 T C 2.094 176.797 174.700 0.005 0.000 1.039 215 T CA 1.489 63.590 62.100 0.003 0.000 1.153 215 T CB -0.313 68.556 68.868 0.003 0.000 0.863 215 T HN 0.317 nan 8.240 nan 0.000 0.428 216 A N 0.966 123.789 122.820 0.006 0.000 1.873 216 A HA -0.026 4.294 4.320 0.000 0.000 0.215 216 A C 2.605 180.196 177.584 0.011 0.000 1.186 216 A CA 1.432 53.475 52.037 0.009 0.000 0.616 216 A CB -1.072 17.933 19.000 0.009 0.000 0.823 216 A HN 0.332 nan 8.150 nan 0.000 0.442 217 V N 0.075 119.993 119.914 0.007 0.000 2.220 217 V HA -0.345 3.775 4.120 0.000 0.000 0.246 217 V C 2.728 178.825 176.094 0.004 0.000 1.049 217 V CA 2.482 64.785 62.300 0.005 0.000 1.003 217 V CB -1.031 30.791 31.823 -0.003 0.000 0.634 217 V HN 0.700 nan 8.190 nan 0.000 0.444 218 Q N 0.344 120.145 119.800 0.001 0.000 2.156 218 Q HA -0.307 4.033 4.340 0.000 0.000 0.211 218 Q C 2.147 178.156 176.000 0.015 0.000 0.995 218 Q CA 2.333 58.138 55.803 0.003 0.000 0.877 218 Q CB -0.560 28.180 28.738 0.004 0.000 0.920 218 Q HN 0.750 nan 8.270 nan 0.000 0.416 219 Q N -1.060 118.751 119.800 0.017 0.000 2.135 219 Q HA -0.119 4.221 4.340 0.000 0.000 0.204 219 Q C 1.985 178.007 176.000 0.035 0.000 0.981 219 Q CA 1.496 57.313 55.803 0.024 0.000 0.856 219 Q CB -0.255 28.495 28.738 0.020 0.000 0.902 219 Q HN 0.533 nan 8.270 nan 0.000 0.425 220 A N 0.146 122.988 122.820 0.037 0.000 1.930 220 A HA -0.062 4.258 4.320 0.000 0.000 0.215 220 A C 2.303 179.937 177.584 0.084 0.000 1.176 220 A CA 0.797 52.868 52.037 0.056 0.000 0.632 220 A CB -0.399 18.631 19.000 0.050 0.000 0.819 220 A HN 0.191 nan 8.150 nan 0.000 0.445 221 V N 1.107 121.052 119.914 0.052 0.000 2.407 221 V HA -0.256 3.864 4.120 0.000 0.000 0.248 221 V C 1.923 178.082 176.094 0.109 0.000 1.055 221 V CA 2.155 64.483 62.300 0.048 0.000 1.049 221 V CB -0.858 30.945 31.823 -0.034 0.000 0.662 221 V HN 0.513 nan 8.190 nan 0.000 0.455 222 D N 0.860 121.306 120.400 0.077 0.000 2.221 222 D HA -0.118 4.522 4.640 0.000 0.000 0.204 222 D C 2.032 178.392 176.300 0.100 0.000 0.982 222 D CA 1.710 55.758 54.000 0.079 0.000 0.857 222 D CB -0.119 40.711 40.800 0.051 0.000 0.934 222 D HN 0.568 nan 8.370 nan 0.000 0.475 223 G N -0.483 108.384 108.800 0.111 0.000 2.986 223 G HA2 -0.048 3.912 3.960 0.000 0.000 0.213 223 G HA3 -0.048 3.912 3.960 0.000 0.000 0.213 223 G C 0.142 175.118 174.900 0.128 0.000 1.156 223 G CA -0.614 44.542 45.100 0.094 0.000 0.763 223 G HN 0.120 nan 8.290 nan 0.000 0.547 224 W N 3.638 124.928 121.300 -0.016 0.000 2.314 224 W HA 0.306 4.966 4.660 -0.000 0.000 0.339 224 W C 0.222 176.725 176.519 -0.026 0.000 1.293 224 W CA 0.418 57.748 57.345 -0.025 0.000 1.288 224 W CB 0.623 30.062 29.460 -0.034 0.000 1.186 224 W HN -0.009 nan 8.180 nan 0.000 0.566 225 T N 4.222 118.347 114.554 -0.714 0.000 2.893 225 T HA 0.111 4.461 4.350 0.000 0.000 0.324 225 T C 0.758 174.738 174.700 -1.200 0.000 1.082 225 T CA -0.772 60.905 62.100 -0.705 0.000 0.983 225 T CB 1.555 70.200 68.868 -0.372 0.000 1.005 225 T HN 0.666 nan 8.240 nan 0.000 0.475 226 E N 3.176 122.566 120.200 -1.350 0.000 2.065 226 E HA -0.244 4.106 4.350 0.000 0.000 0.201 226 E C 1.545 177.804 176.600 -0.569 0.000 1.016 226 E CA 1.654 57.346 56.400 -1.179 0.000 0.818 226 E CB -0.087 29.339 29.700 -0.456 0.000 0.749 226 E HN 0.725 nan 8.360 nan 0.000 0.453 227 K N 0.001 120.192 120.400 -0.348 0.000 2.304 227 K HA -0.212 4.108 4.320 0.000 0.000 0.204 227 K C 1.230 177.723 176.600 -0.179 0.000 1.044 227 K CA 1.759 57.932 56.287 -0.189 0.000 0.932 227 K CB -0.307 32.117 32.500 -0.127 0.000 0.735 227 K HN 0.276 nan 8.250 nan 0.000 0.468 228 N N -1.521 117.019 118.700 -0.268 0.000 2.194 228 N HA 0.162 4.902 4.740 0.000 0.000 0.231 228 N C -0.406 174.968 175.510 -0.226 0.000 1.247 228 N CA -0.202 52.728 53.050 -0.199 0.000 0.884 228 N CB 0.713 39.100 38.487 -0.166 0.000 1.146 228 N HN -0.003 nan 8.380 nan 0.000 0.516 229 A N 1.547 124.182 122.820 -0.308 0.000 2.366 229 A HA 0.491 4.811 4.320 0.000 0.000 0.249 229 A C -2.183 175.270 177.584 -0.219 0.000 1.084 229 A CA -1.031 50.896 52.037 -0.183 0.000 0.794 229 A CB 0.102 19.108 19.000 0.011 0.000 1.034 229 A HN 0.207 nan 8.150 nan 0.000 0.491 230 P HA 0.222 nan 4.420 nan 0.000 0.279 230 P C -1.212 175.880 177.300 -0.348 0.000 1.252 230 P CA -0.400 62.543 63.100 -0.261 0.000 0.811 230 P CB 0.572 32.104 31.700 -0.279 0.000 1.035 231 W N 0.639 121.829 121.300 -0.185 0.000 2.316 231 W HA 0.352 5.013 4.660 0.000 0.000 0.321 231 W C 0.062 176.438 176.519 -0.238 0.000 1.203 231 W CA 0.198 57.498 57.345 -0.075 0.000 1.214 231 W CB 0.398 29.962 29.460 0.173 0.000 1.169 231 W HN 0.302 nan 8.180 nan 0.000 0.561 232 Y N 1.004 121.298 120.300 -0.010 0.000 2.457 232 Y HA 0.614 5.164 4.550 0.000 0.000 0.333 232 Y C -0.043 175.801 175.900 -0.094 0.000 1.119 232 Y CA -1.095 56.840 58.100 -0.275 0.000 1.143 232 Y CB 1.323 39.100 38.460 -1.138 0.000 1.230 232 Y HN -0.050 nan 8.280 nan 0.000 0.469 233 V N 1.976 122.062 119.914 0.288 0.000 2.525 233 V HA 0.705 4.825 4.120 0.000 0.000 0.299 233 V C -0.765 175.600 176.094 0.452 0.000 1.034 233 V CA -1.052 61.436 62.300 0.314 0.000 0.863 233 V CB 1.477 33.356 31.823 0.094 0.000 0.999 233 V HN 0.841 nan 8.190 nan 0.000 0.423 234 A N 4.883 128.006 122.820 0.506 0.000 2.258 234 A HA 0.831 5.151 4.320 0.000 0.000 0.316 234 A C -0.657 177.160 177.584 0.388 0.000 1.279 234 A CA -0.484 51.820 52.037 0.445 0.000 0.876 234 A CB 1.112 20.352 19.000 0.400 0.000 1.170 234 A HN 0.693 nan 8.150 nan 0.000 0.520 235 V N 2.566 122.742 119.914 0.438 0.000 2.398 235 V HA 0.406 4.526 4.120 0.000 0.000 0.286 235 V C 0.494 176.860 176.094 0.453 0.000 1.026 235 V CA -0.373 62.120 62.300 0.321 0.000 0.868 235 V CB 1.556 33.470 31.823 0.152 0.000 0.982 235 V HN 0.871 nan 8.190 nan 0.000 0.443 236 S N 2.731 118.628 115.700 0.328 0.000 2.554 236 S HA 0.893 5.363 4.470 0.000 0.000 0.278 236 S C 0.527 175.351 174.600 0.373 0.000 1.242 236 S CA 0.320 58.706 58.200 0.309 0.000 1.051 236 S CB 1.582 64.915 63.200 0.222 0.000 0.986 236 S HN 1.250 nan 8.310 nan 0.000 0.502 237 G N 0.821 109.786 108.800 0.276 0.000 2.441 237 G HA2 0.625 4.585 3.960 0.000 0.000 0.225 237 G HA3 0.625 4.585 3.960 0.000 0.000 0.225 237 G C -0.615 174.270 174.900 -0.026 0.000 1.200 237 G CA 0.012 45.277 45.100 0.275 0.000 0.947 237 G HN 1.093 nan 8.290 nan 0.000 0.484 238 G N -2.117 106.707 108.800 0.040 0.000 2.548 238 G HA2 0.650 4.610 3.960 0.000 0.000 0.301 238 G HA3 0.650 4.610 3.960 0.000 0.000 0.301 238 G C -2.085 172.804 174.900 -0.018 0.000 1.349 238 G CA 0.141 45.148 45.100 -0.154 0.000 0.792 238 G HN 1.371 nan 8.290 nan 0.000 0.481 239 V N 1.149 121.001 119.914 -0.102 0.000 2.531 239 V HA 0.388 4.508 4.120 0.000 0.000 0.301 239 V C -0.394 175.665 176.094 -0.057 0.000 1.034 239 V CA -1.009 61.266 62.300 -0.042 0.000 0.865 239 V CB 1.426 33.254 31.823 0.008 0.000 0.995 239 V HN 0.730 nan 8.190 nan 0.000 0.424 240 H N 3.276 122.347 119.070 0.001 0.000 3.125 240 H HA 0.097 4.653 4.556 0.000 0.000 0.310 240 H C 1.433 176.775 175.328 0.024 0.000 0.980 240 H CA 1.867 57.937 56.048 0.036 0.000 1.422 240 H CB 0.698 30.480 29.762 0.033 0.000 1.432 240 H HN 1.112 nan 8.280 nan 0.000 0.577 241 G N 2.655 111.553 108.800 0.163 0.000 2.155 241 G HA2 -0.284 3.676 3.960 0.000 0.000 0.257 241 G HA3 -0.284 3.676 3.960 0.000 0.000 0.257 241 G C 0.706 175.627 174.900 0.034 0.000 0.983 241 G CA 0.616 45.776 45.100 0.099 0.000 0.676 241 G HN 0.516 nan 8.290 nan 0.000 0.528 242 V N -1.153 118.759 119.914 -0.004 0.000 3.449 242 V HA 0.805 4.925 4.120 0.000 0.000 0.208 242 V C 1.281 177.301 176.094 -0.123 0.000 1.269 242 V CA 1.384 63.654 62.300 -0.051 0.000 1.301 242 V CB 0.600 32.397 31.823 -0.044 0.000 1.306 242 V HN 1.825 nan 8.190 nan 0.000 0.531 243 G N 0.613 109.305 108.800 -0.181 0.000 2.347 243 G HA2 0.344 4.304 3.960 0.000 0.000 0.303 243 G HA3 0.344 4.304 3.960 0.000 0.000 0.303 243 G C -3.402 171.231 174.900 -0.444 0.000 1.481 243 G CA -0.495 44.418 45.100 -0.311 0.000 0.914 243 G HN 0.136 nan 8.290 nan 0.000 0.638 244 P HA 0.493 nan 4.420 nan 0.000 0.270 244 P C -0.043 176.535 177.300 -1.204 0.000 1.223 244 P CA 0.647 63.131 63.100 -1.027 0.000 0.785 244 P CB 1.640 32.412 31.700 -1.548 0.000 0.923 245 A N 1.079 123.306 122.820 -0.989 0.000 2.566 245 A HA 0.459 4.779 4.320 0.000 0.000 0.290 245 A C -1.605 175.763 177.584 -0.360 0.000 1.071 245 A CA -0.587 51.042 52.037 -0.681 0.000 0.658 245 A CB 1.063 19.697 19.000 -0.610 0.000 1.285 245 A HN 0.508 nan 8.150 nan 0.000 0.427 246 Q N -0.002 119.697 119.800 -0.169 0.000 2.340 246 Q HA 0.612 4.952 4.340 0.000 0.000 0.268 246 Q C -1.831 174.224 176.000 0.091 0.000 1.031 246 Q CA -0.303 55.562 55.803 0.103 0.000 0.804 246 Q CB 1.938 31.000 28.738 0.541 0.000 1.286 246 Q HN 0.541 nan 8.270 nan 0.000 0.448 247 F N 2.225 122.485 119.950 0.517 0.000 2.404 247 F HA 0.362 4.889 4.527 0.000 0.000 0.354 247 F C -0.231 175.867 175.800 0.496 0.000 1.122 247 F CA -0.817 57.530 58.000 0.579 0.000 1.080 247 F CB 0.638 40.096 39.000 0.763 0.000 1.131 247 F HN 0.292 nan 8.300 nan 0.000 0.471 248 L N 5.018 126.486 121.223 0.409 0.000 2.309 248 L HA 0.571 4.911 4.340 0.000 0.000 0.282 248 L C -1.330 175.589 176.870 0.082 0.000 1.036 248 L CA -0.612 54.349 54.840 0.202 0.000 0.806 248 L CB 0.589 42.621 42.059 -0.044 0.000 1.220 248 L HN 0.510 nan 8.230 nan 0.000 0.429 249 Y N 3.330 123.850 120.300 0.368 0.000 2.638 249 Y HA 0.787 5.337 4.550 -0.000 0.000 0.339 249 Y C -0.426 175.688 175.900 0.358 0.000 1.084 249 Y CA -1.071 57.271 58.100 0.404 0.000 1.068 249 Y CB 1.830 40.555 38.460 0.441 0.000 1.294 249 Y HN 0.580 nan 8.280 nan 0.000 0.480 250 R N -0.269 120.525 120.500 0.491 0.000 2.663 250 R HA 0.390 4.730 4.340 0.000 0.000 0.267 250 R C -1.891 174.467 176.300 0.098 0.000 1.038 250 R CA -1.118 55.094 56.100 0.187 0.000 0.886 250 R CB 1.200 31.332 30.300 -0.281 0.000 1.249 250 R HN 0.665 nan 8.270 nan 0.000 0.463 251 Q N 1.789 121.464 119.800 -0.208 0.000 2.368 251 Q HA -0.111 4.229 4.340 0.000 0.000 0.331 251 Q C -0.337 175.467 176.000 -0.326 0.000 1.086 251 Q CA 0.516 55.946 55.803 -0.622 0.000 1.031 251 Q CB 0.218 28.577 28.738 -0.632 0.000 1.125 251 Q HN 0.450 nan 8.270 nan 0.000 0.389 252 N N 1.147 119.669 118.700 -0.297 0.000 2.359 252 N HA -0.022 4.718 4.740 0.000 0.000 0.261 252 N C 0.796 176.237 175.510 -0.115 0.000 1.267 252 N CA 1.604 54.586 53.050 -0.113 0.000 0.864 252 N CB 0.226 38.687 38.487 -0.043 0.000 1.063 252 N HN 0.758 nan 8.380 nan 0.000 0.474 253 G N 2.277 111.039 108.800 -0.064 0.000 2.175 253 G HA2 -0.214 3.746 3.960 0.000 0.000 0.265 253 G HA3 -0.214 3.746 3.960 0.000 0.000 0.265 253 G C 0.843 175.696 174.900 -0.078 0.000 0.979 253 G CA 0.623 45.688 45.100 -0.058 0.000 0.663 253 G HN 1.730 nan 8.290 nan 0.000 0.533 254 G N -1.033 107.697 108.800 -0.116 0.000 2.176 254 G HA2 -0.298 3.662 3.960 0.000 0.000 0.252 254 G HA3 -0.298 3.662 3.960 0.000 0.000 0.252 254 G C 0.039 174.846 174.900 -0.154 0.000 1.024 254 G CA 0.719 45.737 45.100 -0.136 0.000 0.755 254 G HN 1.326 nan 8.290 nan 0.000 0.507 255 N N 0.595 119.179 118.700 -0.194 0.000 2.437 255 N HA 0.524 5.264 4.740 0.000 0.000 0.243 255 N C 1.460 176.797 175.510 -0.288 0.000 1.041 255 N CA 0.472 53.399 53.050 -0.205 0.000 0.940 255 N CB 0.903 39.275 38.487 -0.193 0.000 1.133 255 N HN 0.440 nan 8.380 nan 0.000 0.506 256 A N 2.584 125.268 122.820 -0.227 0.000 2.186 256 A HA -0.080 4.240 4.320 0.000 0.000 0.219 256 A C 1.679 179.058 177.584 -0.342 0.000 1.159 256 A CA 1.209 53.113 52.037 -0.222 0.000 0.680 256 A CB 0.011 18.940 19.000 -0.119 0.000 0.787 256 A HN 0.595 nan 8.150 nan 0.000 0.467 257 S N -0.897 114.607 115.700 -0.326 0.000 2.556 257 S HA 0.117 4.587 4.470 0.000 0.000 0.216 257 S C 0.396 174.711 174.600 -0.475 0.000 0.970 257 S CA -0.089 57.925 58.200 -0.310 0.000 0.912 257 S CB 0.101 63.234 63.200 -0.111 0.000 0.790 257 S HN 0.607 nan 8.310 nan 0.000 0.504 258 E N 0.648 120.478 120.200 -0.616 0.000 2.089 258 E HA 0.342 4.692 4.350 0.000 0.000 0.284 258 E C -0.427 175.646 176.600 -0.879 0.000 1.023 258 E CA -0.250 55.819 56.400 -0.552 0.000 0.819 258 E CB 0.111 29.563 29.700 -0.414 0.000 1.076 258 E HN 0.146 nan 8.360 nan 0.000 0.396 259 F N 2.570 122.353 119.950 -0.277 0.000 2.706 259 F HA 0.193 4.720 4.527 -0.000 0.000 0.308 259 F C 1.788 177.538 175.800 -0.083 0.000 1.095 259 F CA -0.199 57.686 58.000 -0.191 0.000 1.244 259 F CB 0.353 39.355 39.000 0.003 0.000 1.063 259 F HN 0.450 nan 8.300 nan 0.000 0.582 260 Q N -0.094 119.631 119.800 -0.126 0.000 2.061 260 Q HA 0.027 4.367 4.340 0.000 0.000 0.195 260 Q C -0.467 175.295 176.000 -0.398 0.000 0.967 260 Q CA 1.449 57.081 55.803 -0.284 0.000 0.829 260 Q CB -0.030 28.359 28.738 -0.581 0.000 0.900 260 Q HN 0.299 nan 8.270 nan 0.000 0.450 261 Y N -0.803 119.413 120.300 -0.140 0.000 2.341 261 Y HA 0.398 4.948 4.550 -0.000 0.000 0.337 261 Y C -1.157 174.545 175.900 -0.329 0.000 1.014 261 Y CA -1.009 57.041 58.100 -0.083 0.000 1.111 261 Y CB 0.802 39.233 38.460 -0.049 0.000 1.194 261 Y HN 0.033 nan 8.280 nan 0.000 0.462 262 W N 3.078 124.520 121.300 0.236 0.000 2.424 262 W HA 0.400 5.060 4.660 -0.000 0.000 0.318 262 W C -0.353 176.373 176.519 0.344 0.000 1.016 262 W CA -1.168 56.314 57.345 0.228 0.000 1.268 262 W CB 0.923 30.485 29.460 0.170 0.000 1.297 262 W HN 0.488 nan 8.180 nan 0.000 0.428 263 E N 2.543 122.983 120.200 0.400 0.000 2.316 263 E HA 0.051 4.401 4.350 0.000 0.000 0.275 263 E C -0.895 175.967 176.600 0.437 0.000 1.029 263 E CA -0.701 55.914 56.400 0.357 0.000 0.871 263 E CB 0.942 30.751 29.700 0.182 0.000 1.022 263 E HN 0.426 nan 8.360 nan 0.000 0.418 264 Y N 4.662 125.094 120.300 0.220 0.000 2.496 264 Y HA 0.100 4.650 4.550 0.000 0.000 0.334 264 Y C 0.143 176.025 175.900 -0.029 0.000 1.080 264 Y CA -0.531 57.514 58.100 -0.093 0.000 1.355 264 Y CB 0.599 39.035 38.460 -0.040 0.000 1.193 264 Y HN 0.671 nan 8.280 nan 0.000 0.523 265 L N 5.844 126.840 121.223 -0.377 0.000 2.607 265 L HA 0.327 4.667 4.340 0.000 0.000 0.228 265 L C 1.118 177.698 176.870 -0.482 0.000 1.123 265 L CA 0.437 55.115 54.840 -0.271 0.000 0.890 265 L CB -0.668 41.382 42.059 -0.016 0.000 1.103 265 L HN 1.007 nan 8.230 nan 0.000 0.468 266 G N 0.761 108.802 108.800 -1.265 0.000 2.631 266 G HA2 -0.191 3.769 3.960 0.000 0.000 0.504 266 G HA3 -0.191 3.769 3.960 0.000 0.000 0.504 266 G C -0.524 174.289 174.900 -0.146 0.000 1.306 266 G CA -0.816 43.763 45.100 -0.867 0.000 0.897 266 G HN 0.208 nan 8.290 nan 0.000 0.520 267 E N 1.364 121.644 120.200 0.134 0.000 1.856 267 E HA 0.130 4.480 4.350 0.000 0.000 0.263 267 E C 1.367 178.122 176.600 0.258 0.000 1.137 267 E CA -0.333 56.203 56.400 0.227 0.000 1.007 267 E CB 0.013 29.795 29.700 0.137 0.000 1.117 267 E HN 0.570 nan 8.360 nan 0.000 0.438 268 W N 3.624 124.979 121.300 0.091 0.000 2.424 268 W HA -0.131 4.529 4.660 -0.000 0.000 0.264 268 W C -0.409 176.263 176.519 0.254 0.000 1.229 268 W CA 0.295 57.722 57.345 0.137 0.000 1.208 268 W CB -0.245 29.305 29.460 0.149 0.000 1.127 268 W HN 0.406 nan 8.180 nan 0.000 0.588 269 W N 3.551 124.705 121.300 -0.243 0.000 3.326 269 W HA 0.387 5.047 4.660 0.000 0.000 0.333 269 W C -1.337 175.068 176.519 -0.189 0.000 1.108 269 W CA -1.761 55.367 57.345 -0.361 0.000 1.245 269 W CB 0.073 29.155 29.460 -0.630 0.000 1.331 269 W HN 0.120 nan 8.180 nan 0.000 0.464 270 Q N 3.626 123.304 119.800 -0.203 0.000 2.416 270 Q HA 0.774 5.114 4.340 0.000 0.000 0.281 270 Q C -1.164 174.548 176.000 -0.479 0.000 1.067 270 Q CA -0.949 54.573 55.803 -0.469 0.000 0.809 270 Q CB 3.430 32.002 28.738 -0.277 0.000 1.418 270 Q HN 0.282 nan 8.270 nan 0.000 0.411 271 E N 0.342 120.173 120.200 -0.614 0.000 2.393 271 E HA 0.602 4.952 4.350 0.000 0.000 0.273 271 E C -1.164 175.240 176.600 -0.327 0.000 0.918 271 E CA -0.851 55.282 56.400 -0.446 0.000 0.773 271 E CB 2.237 31.539 29.700 -0.663 0.000 1.275 271 E HN 0.789 nan 8.360 nan 0.000 0.451 272 A N 1.007 123.724 122.820 -0.172 0.000 2.425 272 A HA 0.308 4.628 4.320 0.000 0.000 0.249 272 A C 0.150 177.613 177.584 -0.201 0.000 1.084 272 A CA -0.089 51.857 52.037 -0.152 0.000 0.781 272 A CB -0.278 18.672 19.000 -0.084 0.000 1.019 272 A HN 0.481 nan 8.150 nan 0.000 0.490 273 T N 2.781 117.199 114.554 -0.228 0.000 2.819 273 T HA -0.006 4.344 4.350 0.000 0.000 0.282 273 T C 1.031 175.483 174.700 -0.413 0.000 1.013 273 T CA 1.371 63.272 62.100 -0.331 0.000 1.159 273 T CB -0.314 68.426 68.868 -0.212 0.000 1.007 273 T HN 0.974 nan 8.240 nan 0.000 0.514 274 N N 1.250 119.549 118.700 -0.668 0.000 2.696 274 N HA -0.219 4.521 4.740 0.000 0.000 0.249 274 N C 0.325 175.660 175.510 -0.293 0.000 1.090 274 N CA 0.926 53.589 53.050 -0.646 0.000 0.716 274 N CB -0.979 36.991 38.487 -0.861 0.000 1.020 274 N HN 0.828 nan 8.380 nan 0.000 0.548 275 S N -1.894 113.721 115.700 -0.141 0.000 2.646 275 S HA 0.808 5.278 4.470 0.000 0.000 0.273 275 S C 0.354 174.933 174.600 -0.036 0.000 1.168 275 S CA 0.104 58.291 58.200 -0.022 0.000 1.013 275 S CB 1.838 65.093 63.200 0.092 0.000 1.098 275 S HN 0.940 nan 8.310 nan 0.000 0.544 276 S N -1.334 114.332 115.700 -0.056 0.000 2.587 276 S HA 0.359 4.829 4.470 0.000 0.000 0.269 276 S C -1.408 173.071 174.600 -0.203 0.000 1.154 276 S CA -1.001 56.948 58.200 -0.419 0.000 0.824 276 S CB 0.353 63.358 63.200 -0.325 0.000 1.118 276 S HN 0.967 nan 8.310 nan 0.000 0.462 277 W N 2.621 123.554 121.300 -0.611 0.000 2.308 277 W HA 0.439 5.098 4.660 -0.000 0.000 0.324 277 W C 0.610 177.053 176.519 -0.126 0.000 1.387 277 W CA 1.747 58.966 57.345 -0.211 0.000 1.250 277 W CB 0.022 29.294 29.460 -0.313 0.000 1.257 277 W HN 1.677 nan 8.180 nan 0.000 0.554 278 G N 4.942 113.335 108.800 -0.678 0.000 2.758 278 G HA2 -0.269 3.691 3.960 0.000 0.000 0.686 278 G HA3 -0.269 3.691 3.960 0.000 0.000 0.686 278 G C 0.128 174.887 174.900 -0.234 0.000 1.389 278 G CA -0.147 44.661 45.100 -0.487 0.000 0.845 278 G HN 0.615 nan 8.290 nan 0.000 0.572 279 D N 0.251 120.551 120.400 -0.168 0.000 2.340 279 D HA 0.052 4.692 4.640 0.000 0.000 0.220 279 D C 1.584 177.845 176.300 -0.064 0.000 1.039 279 D CA 0.880 54.818 54.000 -0.103 0.000 0.866 279 D CB 0.477 41.226 40.800 -0.086 0.000 0.913 279 D HN 0.522 nan 8.370 nan 0.000 0.523 280 E N -0.391 119.779 120.200 -0.049 0.000 2.485 280 E HA 0.139 4.489 4.350 0.000 0.000 0.213 280 E C 1.179 177.763 176.600 -0.027 0.000 0.923 280 E CA 0.155 56.540 56.400 -0.025 0.000 1.054 280 E CB 1.034 30.736 29.700 0.004 0.000 1.077 280 E HN 0.161 nan 8.360 nan 0.000 0.509 281 G N 2.184 110.964 108.800 -0.034 0.000 2.295 281 G HA2 -0.294 3.666 3.960 0.000 0.000 0.287 281 G HA3 -0.294 3.666 3.960 0.000 0.000 0.287 281 G C 0.823 175.733 174.900 0.017 0.000 1.055 281 G CA 1.027 46.104 45.100 -0.038 0.000 0.922 281 G HN 0.249 nan 8.290 nan 0.000 0.503 282 T N -1.548 113.031 114.554 0.043 0.000 2.983 282 T HA 0.081 4.431 4.350 0.000 0.000 0.250 282 T C 1.812 176.465 174.700 -0.077 0.000 1.037 282 T CA 1.678 63.734 62.100 -0.073 0.000 1.142 282 T CB -0.047 68.701 68.868 -0.199 0.000 0.876 282 T HN 0.540 nan 8.240 nan 0.000 0.455 283 W N 0.970 122.429 121.300 0.266 0.000 3.013 283 W HA 0.626 5.286 4.660 0.000 0.000 0.280 283 W C 1.402 178.091 176.519 0.283 0.000 1.249 283 W CA -0.189 57.392 57.345 0.393 0.000 1.577 283 W CB 0.529 30.159 29.460 0.284 0.000 1.057 283 W HN 0.103 nan 8.180 nan 0.000 0.613 284 A N -0.047 122.905 122.820 0.221 0.000 2.663 284 A HA 0.639 4.959 4.320 0.000 0.000 0.273 284 A C 1.106 178.364 177.584 -0.543 0.000 0.932 284 A CA 0.232 52.067 52.037 -0.337 0.000 1.055 284 A CB -0.815 17.904 19.000 -0.468 0.000 1.206 284 A HN 0.305 nan 8.150 nan 0.000 0.485 285 G N 1.172 109.886 108.800 -0.143 0.000 2.632 285 G HA2 -0.292 3.668 3.960 0.000 0.000 0.322 285 G HA3 -0.292 3.668 3.960 0.000 0.000 0.322 285 G C 0.110 174.836 174.900 -0.289 0.000 1.326 285 G CA 0.731 45.783 45.100 -0.080 0.000 0.986 285 G HN 0.859 nan 8.290 nan 0.000 0.541 286 R N -1.369 118.946 120.500 -0.308 0.000 2.807 286 R HA 0.420 4.760 4.340 0.000 0.000 0.276 286 R C 0.540 176.649 176.300 -0.320 0.000 0.979 286 R CA -0.630 55.245 56.100 -0.375 0.000 0.928 286 R CB 1.344 31.513 30.300 -0.219 0.000 1.191 286 R HN 0.595 nan 8.270 nan 0.000 0.471 287 W N 1.245 122.491 121.300 -0.090 0.000 2.699 287 W HA 0.012 4.672 4.660 -0.000 0.000 0.249 287 W C 1.375 177.784 176.519 -0.184 0.000 1.280 287 W CA 0.579 57.899 57.345 -0.041 0.000 1.345 287 W CB -0.010 29.405 29.460 -0.076 0.000 1.128 287 W HN 1.024 nan 8.180 nan 0.000 0.642 288 G N 1.065 109.778 108.800 -0.145 0.000 2.578 288 G HA2 -0.371 3.589 3.960 0.000 0.000 0.275 288 G HA3 -0.371 3.589 3.960 0.000 0.000 0.275 288 G C -0.062 174.425 174.900 -0.689 0.000 1.271 288 G CA 0.608 45.472 45.100 -0.393 0.000 0.941 288 G HN 0.230 nan 8.290 nan 0.000 0.564 289 F N 0.909 120.471 119.950 -0.646 0.000 2.731 289 F HA 0.420 4.947 4.527 0.000 0.000 0.298 289 F C 1.089 176.442 175.800 -0.745 0.000 1.106 289 F CA 0.612 58.088 58.000 -0.873 0.000 1.329 289 F CB 0.543 38.479 39.000 -1.774 0.000 1.100 289 F HN 0.533 nan 8.300 nan 0.000 0.592 290 N N -0.985 117.464 118.700 -0.419 0.000 2.516 290 N HA 0.241 4.981 4.740 0.000 0.000 0.268 290 N C -1.687 173.834 175.510 0.019 0.000 1.096 290 N CA -0.398 52.518 53.050 -0.224 0.000 0.954 290 N CB 0.967 39.394 38.487 -0.101 0.000 1.676 290 N HN -0.290 nan 8.380 nan 0.000 0.490 291 F N 1.455 121.334 119.950 -0.118 0.000 2.394 291 F HA 0.491 5.018 4.527 0.000 0.000 0.340 291 F C 0.737 176.547 175.800 0.016 0.000 1.105 291 F CA -0.357 57.582 58.000 -0.101 0.000 1.124 291 F CB 0.994 39.862 39.000 -0.219 0.000 1.145 291 F HN 0.385 nan 8.300 nan 0.000 0.505 292 E N -0.440 119.888 120.200 0.213 0.000 2.369 292 E HA 0.282 4.632 4.350 0.000 0.000 0.270 292 E C -0.547 176.087 176.600 0.057 0.000 0.909 292 E CA -0.837 55.669 56.400 0.177 0.000 0.775 292 E CB 1.960 31.823 29.700 0.272 0.000 1.270 292 E HN 0.623 nan 8.360 nan 0.000 0.445 293 T N -0.999 113.601 114.554 0.077 0.000 3.398 293 T HA -0.209 4.141 4.350 0.000 0.000 0.408 293 T C 0.477 175.171 174.700 -0.010 0.000 0.769 293 T CA 0.232 62.361 62.100 0.049 0.000 2.018 293 T CB -2.044 66.835 68.868 0.018 0.000 1.703 293 T HN 0.700 nan 8.240 nan 0.000 0.639 294 G N 1.102 109.900 108.800 -0.004 0.000 2.559 294 G HA2 0.441 4.401 3.960 0.000 0.000 0.235 294 G HA3 0.441 4.401 3.960 0.000 0.000 0.235 294 G C -0.080 174.606 174.900 -0.357 0.000 1.266 294 G CA -0.602 44.434 45.100 -0.107 0.000 0.847 294 G HN 0.740 nan 8.290 nan 0.000 0.583 295 N N -0.771 117.570 118.700 -0.599 0.000 2.397 295 N HA 0.368 5.108 4.740 0.000 0.000 0.291 295 N C -0.832 174.174 175.510 -0.840 0.000 1.065 295 N CA -0.505 51.751 53.050 -1.323 0.000 0.884 295 N CB 2.395 40.405 38.487 -0.794 0.000 1.551 295 N HN 0.233 nan 8.380 nan 0.000 0.487 296 V N 3.319 122.759 119.914 -0.790 0.000 2.288 296 V HA 0.395 4.516 4.120 0.000 0.000 0.266 296 V C -0.318 175.399 176.094 -0.628 0.000 1.048 296 V CA -0.596 61.246 62.300 -0.764 0.000 0.842 296 V CB -0.135 30.760 31.823 -1.547 0.000 1.064 296 V HN 0.408 nan 8.190 nan 0.000 0.472 297 L N 4.432 125.231 121.223 -0.707 0.000 2.387 297 L HA 0.655 4.995 4.340 0.000 0.000 0.266 297 L C -0.508 175.812 176.870 -0.916 0.000 1.059 297 L CA -0.321 54.149 54.840 -0.617 0.000 0.801 297 L CB 0.798 42.441 42.059 -0.693 0.000 1.223 297 L HN 0.373 nan 8.230 nan 0.000 0.456 298 F N 1.898 121.634 119.950 -0.357 0.000 2.810 298 F HA 0.441 4.968 4.527 -0.000 0.000 0.373 298 F C -0.792 174.776 175.800 -0.387 0.000 1.174 298 F CA -0.539 57.266 58.000 -0.325 0.000 1.141 298 F CB 0.863 39.662 39.000 -0.335 0.000 1.420 298 F HN 0.040 nan 8.300 nan 0.000 0.518 299 L N 2.166 123.358 121.223 -0.051 0.000 2.343 299 L HA 0.712 5.052 4.340 0.000 0.000 0.275 299 L C 0.636 177.521 176.870 0.026 0.000 1.056 299 L CA -0.428 54.369 54.840 -0.073 0.000 0.804 299 L CB 1.560 43.434 42.059 -0.308 0.000 1.203 299 L HN 0.638 nan 8.230 nan 0.000 0.440 300 T N -2.264 112.297 114.554 0.011 0.000 2.807 300 T HA 0.431 4.781 4.350 0.000 0.000 0.277 300 T C 0.611 175.319 174.700 0.014 0.000 1.006 300 T CA -0.618 61.504 62.100 0.035 0.000 1.006 300 T CB 0.943 69.838 68.868 0.045 0.000 1.274 300 T HN 0.541 nan 8.240 nan 0.000 0.569 301 E N -0.188 120.026 120.200 0.023 0.000 2.482 301 E HA 0.031 4.381 4.350 0.000 0.000 0.196 301 E C 0.761 177.366 176.600 0.008 0.000 1.047 301 E CA 0.522 56.929 56.400 0.013 0.000 0.869 301 E CB 0.154 29.867 29.700 0.022 0.000 0.836 301 E HN 0.582 nan 8.360 nan 0.000 0.520 302 E N -1.150 119.061 120.200 0.018 0.000 2.508 302 E HA 0.199 4.549 4.350 0.000 0.000 0.217 302 E C 0.489 177.109 176.600 0.032 0.000 0.896 302 E CA 0.379 56.792 56.400 0.021 0.000 1.118 302 E CB 1.665 31.382 29.700 0.029 0.000 1.133 302 E HN 0.199 nan 8.360 nan 0.000 0.526 303 G N -0.684 108.143 108.800 0.045 0.000 2.601 303 G HA2 -0.021 3.939 3.960 0.000 0.000 0.080 303 G HA3 -0.021 3.939 3.960 0.000 0.000 0.080 303 G C -1.581 173.404 174.900 0.142 0.000 1.046 303 G CA -0.708 44.444 45.100 0.087 0.000 1.143 303 G HN 0.089 nan 8.290 nan 0.000 0.507 304 H N 1.516 120.649 119.070 0.104 0.000 2.646 304 H HA 0.640 5.196 4.556 -0.000 0.000 0.328 304 H C -1.932 173.504 175.328 0.180 0.000 0.998 304 H CA -0.211 55.935 56.048 0.164 0.000 1.225 304 H CB 1.883 31.791 29.762 0.243 0.000 1.457 304 H HN 0.446 nan 8.280 nan 0.000 0.505 305 D N 7.265 127.681 120.400 0.028 0.000 2.602 305 D HA 0.142 4.782 4.640 0.000 0.000 0.245 305 D C -2.224 174.078 176.300 0.003 0.000 1.325 305 D CA -1.578 52.489 54.000 0.111 0.000 0.952 305 D CB 2.752 43.608 40.800 0.094 0.000 1.317 305 D HN 0.290 nan 8.370 nan 0.000 0.577 306 P HA -0.064 nan 4.420 nan 0.000 0.242 306 P C 0.830 177.790 177.300 -0.566 0.000 1.197 306 P CA 0.646 63.530 63.100 -0.360 0.000 0.765 306 P CB 0.726 32.363 31.700 -0.104 0.000 0.936 307 Q N 0.462 120.145 119.800 -0.195 0.000 2.387 307 Q HA -0.004 4.336 4.340 0.000 0.000 0.212 307 Q C 1.722 177.657 176.000 -0.108 0.000 0.925 307 Q CA 1.375 57.072 55.803 -0.177 0.000 0.901 307 Q CB 0.156 29.003 28.738 0.181 0.000 1.020 307 Q HN 0.179 nan 8.270 nan 0.000 0.545 308 T N -2.947 111.593 114.554 -0.022 0.000 2.990 308 T HA 0.315 4.665 4.350 0.000 0.000 0.249 308 T C 0.954 175.673 174.700 0.031 0.000 1.039 308 T CA 0.201 62.306 62.100 0.008 0.000 1.036 308 T CB 0.259 69.149 68.868 0.037 0.000 0.994 308 T HN 0.241 nan 8.240 nan 0.000 0.489 309 G N 1.412 110.239 108.800 0.046 0.000 2.554 309 G HA2 0.344 4.304 3.960 0.000 0.000 0.238 309 G HA3 0.344 4.304 3.960 0.000 0.000 0.238 309 G C -0.433 174.569 174.900 0.170 0.000 1.259 309 G CA -0.494 44.665 45.100 0.097 0.000 0.843 309 G HN 0.612 nan 8.290 nan 0.000 0.582 310 E N 0.221 120.521 120.200 0.167 0.000 2.343 310 E HA 0.282 4.632 4.350 0.000 0.000 0.269 310 E C -0.154 176.523 176.600 0.129 0.000 1.047 310 E CA -0.775 55.711 56.400 0.142 0.000 0.874 310 E CB 1.018 30.789 29.700 0.118 0.000 1.033 310 E HN 0.160 nan 8.360 nan 0.000 0.409 311 V N 5.060 124.977 119.914 0.004 0.000 2.479 311 V HA 0.133 4.253 4.120 0.000 0.000 0.281 311 V C -0.325 175.603 176.094 -0.276 0.000 1.031 311 V CA 0.466 62.644 62.300 -0.203 0.000 1.038 311 V CB -0.577 31.216 31.823 -0.051 0.000 0.981 311 V HN 0.508 nan 8.190 nan 0.000 0.478 312 F N 3.318 123.002 119.950 -0.443 0.000 2.577 312 F HA 0.759 5.286 4.527 -0.000 0.000 0.318 312 F C -0.140 175.347 175.800 -0.521 0.000 1.065 312 F CA -0.707 57.085 58.000 -0.348 0.000 0.929 312 F CB 2.382 41.190 39.000 -0.320 0.000 1.237 312 F HN 0.161 nan 8.300 nan 0.000 0.468 313 V N 1.191 120.955 119.914 -0.249 0.000 2.686 313 V HA 0.537 4.657 4.120 0.000 0.000 0.306 313 V C -0.659 175.363 176.094 -0.119 0.000 1.065 313 V CA -0.834 61.249 62.300 -0.361 0.000 0.894 313 V CB 2.208 33.639 31.823 -0.653 0.000 1.004 313 V HN 0.819 nan 8.190 nan 0.000 0.424 314 T N 3.464 117.934 114.554 -0.140 0.000 2.888 314 T HA 0.943 5.293 4.350 0.000 0.000 0.284 314 T C -0.762 173.865 174.700 -0.122 0.000 1.017 314 T CA -0.660 61.415 62.100 -0.043 0.000 1.022 314 T CB 1.800 70.661 68.868 -0.013 0.000 1.013 314 T HN 1.068 nan 8.240 nan 0.000 0.465 315 L N -0.953 120.193 121.223 -0.127 0.000 2.794 315 L HA 0.906 5.246 4.340 0.000 0.000 0.261 315 L C -0.492 176.249 176.870 -0.215 0.000 0.989 315 L CA -1.304 53.413 54.840 -0.205 0.000 0.900 315 L CB 1.303 43.149 42.059 -0.355 0.000 1.473 315 L HN 0.928 nan 8.230 nan 0.000 0.414 316 G N 0.013 108.667 108.800 -0.243 0.000 2.389 316 G HA2 0.666 4.626 3.960 0.000 0.000 0.328 316 G HA3 0.666 4.626 3.960 0.000 0.000 0.328 316 G C -0.596 174.366 174.900 0.103 0.000 1.133 316 G CA -0.059 44.907 45.100 -0.223 0.000 0.891 316 G HN 0.938 nan 8.290 nan 0.000 0.485 317 T N -0.990 113.707 114.554 0.237 0.000 2.861 317 T HA 0.586 4.936 4.350 0.000 0.000 0.287 317 T C -0.607 174.167 174.700 0.124 0.000 1.003 317 T CA -0.796 61.431 62.100 0.211 0.000 0.977 317 T CB 2.364 71.343 68.868 0.185 0.000 0.996 317 T HN 0.423 nan 8.240 nan 0.000 0.448 318 E N 1.540 121.750 120.200 0.017 0.000 2.146 318 E HA 0.549 4.899 4.350 0.000 0.000 0.282 318 E C 0.267 176.788 176.600 -0.131 0.000 0.989 318 E CA -0.851 55.470 56.400 -0.132 0.000 0.799 318 E CB 1.433 31.115 29.700 -0.029 0.000 1.088 318 E HN 0.865 nan 8.360 nan 0.000 0.397 319 G N 1.158 109.915 108.800 -0.071 0.000 2.932 319 G HA2 0.610 4.570 3.960 0.000 0.000 0.283 319 G HA3 0.610 4.570 3.960 0.000 0.000 0.283 319 G C -0.903 174.121 174.900 0.207 0.000 1.336 319 G CA -0.472 44.689 45.100 0.101 0.000 1.056 319 G HN 0.385 nan 8.290 nan 0.000 0.522 320 S N -2.153 113.743 115.700 0.326 0.000 2.565 320 S HA 0.636 5.106 4.470 0.000 0.000 0.274 320 S C 0.076 174.817 174.600 0.235 0.000 1.144 320 S CA 0.206 58.556 58.200 0.249 0.000 0.849 320 S CB 0.927 64.264 63.200 0.229 0.000 1.103 320 S HN 1.449 nan 8.310 nan 0.000 0.455 321 G N 1.279 110.168 108.800 0.149 0.000 2.525 321 G HA2 0.676 4.636 3.960 0.000 0.000 0.287 321 G HA3 0.676 4.636 3.960 0.000 0.000 0.287 321 G C -1.163 173.809 174.900 0.119 0.000 1.350 321 G CA -0.682 44.490 45.100 0.120 0.000 1.039 321 G HN 0.777 nan 8.290 nan 0.000 0.513 322 L N 1.069 122.348 121.223 0.093 0.000 2.381 322 L HA 0.395 4.735 4.340 0.000 0.000 0.268 322 L C -1.583 175.319 176.870 0.053 0.000 0.997 322 L CA -1.531 53.358 54.840 0.081 0.000 0.818 322 L CB 2.314 44.428 42.059 0.091 0.000 1.310 322 L HN 0.503 nan 8.230 nan 0.000 0.416 323 P HA 0.280 nan 4.420 nan 0.000 0.272 323 P C -0.614 176.708 177.300 0.036 0.000 1.223 323 P CA -0.335 62.789 63.100 0.040 0.000 0.784 323 P CB 1.051 32.766 31.700 0.024 0.000 0.923 324 I N 0.765 121.354 120.570 0.031 0.000 2.529 324 I HA 0.060 4.230 4.170 0.000 0.000 0.284 324 I C 0.278 176.375 176.117 -0.033 0.000 1.082 324 I CA -0.659 60.645 61.300 0.007 0.000 1.406 324 I CB 1.094 39.088 38.000 -0.010 0.000 1.405 324 I HN 0.056 nan 8.210 nan 0.000 0.548 325 V N 8.370 128.253 119.914 -0.051 0.000 2.304 325 V HA 0.205 4.325 4.120 0.000 0.000 0.269 325 V C -2.090 173.907 176.094 -0.163 0.000 1.036 325 V CA -1.766 60.487 62.300 -0.079 0.000 0.840 325 V CB 0.652 32.445 31.823 -0.051 0.000 1.036 325 V HN 0.607 nan 8.190 nan 0.000 0.466 326 P HA -0.038 nan 4.420 nan 0.000 0.259 326 P C 0.453 177.554 177.300 -0.330 0.000 1.163 326 P CA 0.759 63.714 63.100 -0.241 0.000 0.760 326 P CB 0.085 31.694 31.700 -0.152 0.000 0.762 327 Q N -1.689 117.768 119.800 -0.571 0.000 2.424 327 Q HA -0.155 4.185 4.340 0.000 0.000 0.234 327 Q C -0.652 174.811 176.000 -0.896 0.000 0.748 327 Q CA 0.429 55.681 55.803 -0.918 0.000 1.286 327 Q CB -1.845 26.636 28.738 -0.428 0.000 1.494 327 Q HN 0.268 nan 8.270 nan 0.000 0.683 328 V N 0.743 120.305 119.914 -0.588 0.000 2.540 328 V HA 0.435 4.555 4.120 0.000 0.000 0.302 328 V C 0.048 176.138 176.094 -0.007 0.000 1.035 328 V CA -0.498 61.665 62.300 -0.228 0.000 0.873 328 V CB 2.147 33.915 31.823 -0.092 0.000 0.992 328 V HN 0.055 nan 8.190 nan 0.000 0.428 329 S N 2.107 117.902 115.700 0.159 0.000 2.461 329 S HA 0.174 4.644 4.470 0.000 0.000 0.322 329 S C 1.163 175.788 174.600 0.042 0.000 1.063 329 S CA -0.110 58.209 58.200 0.199 0.000 1.120 329 S CB 1.303 64.537 63.200 0.057 0.000 0.968 329 S HN 1.004 nan 8.310 nan 0.000 0.467 330 S N 2.710 118.458 115.700 0.080 0.000 2.428 330 S HA 0.102 4.572 4.470 0.000 0.000 0.230 330 S C 0.582 175.204 174.600 0.037 0.000 1.014 330 S CA 0.479 58.735 58.200 0.094 0.000 0.957 330 S CB -0.178 63.087 63.200 0.107 0.000 0.784 330 S HN 0.549 nan 8.310 nan 0.000 0.499 331 I N 2.334 122.842 120.570 -0.103 0.000 2.436 331 I HA 0.397 4.567 4.170 0.000 0.000 0.289 331 I C -1.238 174.621 176.117 -0.430 0.000 1.010 331 I CA -0.711 60.492 61.300 -0.163 0.000 1.098 331 I CB 1.156 39.135 38.000 -0.036 0.000 1.266 331 I HN 0.151 nan 8.210 nan 0.000 0.434 332 H N 3.656 122.459 119.070 -0.445 0.000 2.697 332 H HA 0.370 4.926 4.556 -0.000 0.000 0.270 332 H C -0.947 174.358 175.328 -0.039 0.000 1.188 332 H CA -0.516 55.205 56.048 -0.544 0.000 1.322 332 H CB 0.673 29.555 29.762 -1.467 0.000 1.405 332 H HN 0.322 nan 8.280 nan 0.000 0.502 333 D N 2.692 123.219 120.400 0.212 0.000 2.249 333 D HA 0.085 4.725 4.640 0.000 0.000 0.246 333 D C 0.052 176.473 176.300 0.202 0.000 1.114 333 D CA -0.561 53.576 54.000 0.229 0.000 0.854 333 D CB 1.239 42.043 40.800 0.007 0.000 1.132 333 D HN 0.333 nan 8.370 nan 0.000 0.461 334 M N 4.405 124.123 119.600 0.195 0.000 2.589 334 M HA 0.264 4.744 4.480 0.000 0.000 0.340 334 M C -1.429 174.797 176.300 -0.124 0.000 1.308 334 M CA -0.215 55.117 55.300 0.053 0.000 1.332 334 M CB -0.462 32.231 32.600 0.155 0.000 1.219 334 M HN 0.229 nan 8.290 nan 0.000 0.467 335 L N 3.662 124.726 121.223 -0.264 0.000 2.416 335 L HA 0.743 5.083 4.340 0.000 0.000 0.263 335 L C -0.451 176.380 176.870 -0.066 0.000 1.065 335 L CA -0.815 53.793 54.840 -0.385 0.000 0.798 335 L CB 1.249 43.021 42.059 -0.479 0.000 1.267 335 L HN 0.708 nan 8.230 nan 0.000 0.467 336 W N -0.302 120.896 121.300 -0.170 0.000 3.167 336 W HA 0.826 5.486 4.660 0.000 0.000 0.324 336 W C -1.874 174.604 176.519 -0.068 0.000 1.230 336 W CA -1.133 56.165 57.345 -0.077 0.000 1.184 336 W CB 1.473 30.927 29.460 -0.010 0.000 1.414 336 W HN 0.621 nan 8.180 nan 0.000 0.551 337 A N 1.302 124.295 122.820 0.288 0.000 2.587 337 A HA 0.947 5.267 4.320 0.000 0.000 0.293 337 A C -1.707 175.934 177.584 0.096 0.000 1.087 337 A CA -0.402 51.617 52.037 -0.031 0.000 0.692 337 A CB 1.392 20.286 19.000 -0.177 0.000 1.291 337 A HN 1.587 nan 8.150 nan 0.000 0.407 338 A N -0.248 122.466 122.820 -0.178 0.000 2.498 338 A HA 1.015 5.335 4.320 0.000 0.000 0.298 338 A C 0.099 177.402 177.584 -0.468 0.000 1.075 338 A CA 0.055 51.740 52.037 -0.587 0.000 0.714 338 A CB 1.583 19.832 19.000 -1.251 0.000 1.299 338 A HN 2.618 nan 8.150 nan 0.000 0.407 339 G N 0.016 108.556 108.800 -0.433 0.000 2.474 339 G HA2 0.546 4.506 3.960 0.000 0.000 0.234 339 G HA3 0.546 4.506 3.960 0.000 0.000 0.234 339 G C -1.713 172.964 174.900 -0.372 0.000 1.204 339 G CA -0.430 44.340 45.100 -0.551 0.000 0.939 339 G HN 0.726 nan 8.290 nan 0.000 0.491 340 E N -1.470 118.472 120.200 -0.429 0.000 2.359 340 E HA 0.700 5.050 4.350 0.000 0.000 0.266 340 E C -0.939 175.550 176.600 -0.185 0.000 0.920 340 E CA -0.588 55.682 56.400 -0.217 0.000 0.788 340 E CB 2.672 32.271 29.700 -0.169 0.000 1.279 340 E HN 0.409 nan 8.360 nan 0.000 0.438 341 V N 1.125 121.021 119.914 -0.031 0.000 2.487 341 V HA 0.861 4.981 4.120 0.000 0.000 0.298 341 V C 0.204 176.312 176.094 0.023 0.000 1.028 341 V CA -0.529 61.798 62.300 0.046 0.000 0.860 341 V CB 1.555 33.503 31.823 0.210 0.000 0.991 341 V HN 0.700 nan 8.190 nan 0.000 0.427 342 G N 2.615 111.421 108.800 0.011 0.000 2.816 342 G HA2 0.665 4.625 3.960 0.000 0.000 0.288 342 G HA3 0.665 4.625 3.960 0.000 0.000 0.288 342 G C -0.784 174.136 174.900 0.033 0.000 1.334 342 G CA -0.766 44.339 45.100 0.008 0.000 0.978 342 G HN 0.503 nan 8.290 nan 0.000 0.493 343 V N -0.140 119.788 119.914 0.024 0.000 3.096 343 V HA 0.387 4.507 4.120 0.000 0.000 0.306 343 V C 1.529 177.640 176.094 0.028 0.000 1.088 343 V CA 0.571 62.890 62.300 0.031 0.000 1.129 343 V CB 1.497 33.334 31.823 0.022 0.000 1.014 343 V HN 0.935 nan 8.190 nan 0.000 0.486 344 G N 2.137 110.958 108.800 0.035 0.000 3.102 344 G HA2 0.322 4.282 3.960 0.000 0.000 0.264 344 G HA3 0.322 4.282 3.960 0.000 0.000 0.264 344 G C 0.741 175.653 174.900 0.021 0.000 0.788 344 G CA 0.779 45.899 45.100 0.034 0.000 2.029 344 G HN 1.047 nan 8.290 nan 0.000 0.608 345 S N 1.326 117.033 115.700 0.011 0.000 4.106 345 S HA -0.333 4.137 4.470 0.000 0.000 0.541 345 S C 1.471 176.075 174.600 0.006 0.000 1.846 345 S CA 2.198 60.400 58.200 0.003 0.000 4.137 345 S CB -0.896 62.304 63.200 0.001 0.000 0.892 345 S HN 0.635 nan 8.310 nan 0.000 0.535 346 E N 0.115 120.319 120.200 0.007 0.000 2.653 346 E HA 0.133 4.483 4.350 0.000 0.000 0.218 346 E C -0.095 176.512 176.600 0.011 0.000 0.911 346 E CA 0.088 56.493 56.400 0.008 0.000 1.355 346 E CB 0.480 30.183 29.700 0.005 0.000 1.314 346 E HN 0.628 nan 8.360 nan 0.000 0.686 347 Q N 0.946 120.753 119.800 0.012 0.000 2.407 347 Q HA 0.168 4.508 4.340 0.000 0.000 0.214 347 Q C 0.529 176.542 176.000 0.022 0.000 1.043 347 Q CA -0.094 55.718 55.803 0.016 0.000 0.983 347 Q CB 0.422 29.169 28.738 0.014 0.000 1.211 347 Q HN -0.227 nan 8.270 nan 0.000 0.564 348 E N 0.223 120.440 120.200 0.027 0.000 2.405 348 E HA 0.091 4.441 4.350 0.000 0.000 0.194 348 E C 0.370 176.992 176.600 0.037 0.000 1.149 348 E CA 0.386 56.806 56.400 0.034 0.000 0.933 348 E CB -0.805 28.920 29.700 0.042 0.000 1.028 348 E HN 0.664 nan 8.360 nan 0.000 0.487 349 G N 0.321 109.140 108.800 0.032 0.000 2.570 349 G HA2 0.332 4.292 3.960 0.000 0.000 0.276 349 G HA3 0.332 4.292 3.960 0.000 0.000 0.276 349 G C 0.015 174.931 174.900 0.027 0.000 1.346 349 G CA -0.061 45.060 45.100 0.035 0.000 1.034 349 G HN 0.277 nan 8.290 nan 0.000 0.512 350 A N -0.990 121.851 122.820 0.034 0.000 2.583 350 A HA 0.153 4.473 4.320 0.000 0.000 0.231 350 A C 1.552 179.158 177.584 0.037 0.000 1.065 350 A CA 0.694 52.747 52.037 0.027 0.000 0.760 350 A CB 0.147 19.210 19.000 0.105 0.000 1.001 350 A HN 0.706 nan 8.150 nan 0.000 0.509 351 K N -0.220 120.194 120.400 0.023 0.000 2.211 351 K HA -0.006 4.314 4.320 0.000 0.000 0.203 351 K C 0.513 177.159 176.600 0.077 0.000 1.050 351 K CA 1.541 57.854 56.287 0.043 0.000 0.945 351 K CB -0.396 32.128 32.500 0.039 0.000 0.732 351 K HN 0.736 nan 8.250 nan 0.000 0.451 352 V N -1.699 118.289 119.914 0.124 0.000 3.040 352 V HA 0.504 4.624 4.120 0.000 0.000 0.312 352 V C -1.300 174.929 176.094 0.225 0.000 1.115 352 V CA -1.116 61.286 62.300 0.169 0.000 0.998 352 V CB 2.227 34.175 31.823 0.209 0.000 1.042 352 V HN -0.018 nan 8.190 nan 0.000 0.433 353 E N 1.403 121.708 120.200 0.176 0.000 2.290 353 E HA 0.465 4.815 4.350 0.000 0.000 0.274 353 E C -1.975 174.597 176.600 -0.046 0.000 0.889 353 E CA -0.454 55.996 56.400 0.083 0.000 0.760 353 E CB 2.925 32.628 29.700 0.005 0.000 1.206 353 E HN 0.725 nan 8.360 nan 0.000 0.419 354 F N 2.196 121.846 119.950 -0.499 0.000 2.411 354 F HA 0.399 4.926 4.527 -0.000 0.000 0.355 354 F C -0.644 174.725 175.800 -0.718 0.000 1.117 354 F CA -0.314 57.195 58.000 -0.819 0.000 1.139 354 F CB 1.022 38.995 39.000 -1.712 0.000 1.120 354 F HN 0.164 nan 8.300 nan 0.000 0.493 355 S N 7.980 122.952 115.700 -1.212 0.000 2.530 355 S HA 0.431 4.901 4.470 0.000 0.000 0.322 355 S C -2.646 171.204 174.600 -1.250 0.000 1.085 355 S CA -1.231 56.383 58.200 -0.977 0.000 1.096 355 S CB 1.373 64.281 63.200 -0.488 0.000 0.988 355 S HN 0.421 nan 8.310 nan 0.000 0.466 356 P HA 0.164 nan 4.420 nan 0.000 0.271 356 P C 0.404 177.443 177.300 -0.436 0.000 1.218 356 P CA -0.162 62.381 63.100 -0.928 0.000 0.780 356 P CB 0.783 32.069 31.700 -0.690 0.000 0.901 357 S N 1.856 117.313 115.700 -0.406 0.000 2.575 357 S HA 0.285 4.755 4.470 0.000 0.000 0.230 357 S C 0.469 175.045 174.600 -0.040 0.000 1.062 357 S CA -0.049 58.082 58.200 -0.115 0.000 0.913 357 S CB -0.256 62.847 63.200 -0.162 0.000 0.837 357 S HN 0.526 nan 8.310 nan 0.000 0.487 358 M N -0.006 119.335 119.600 -0.432 0.000 2.578 358 M HA 0.897 5.377 4.480 0.000 0.000 0.276 358 M C -1.733 173.938 176.300 -1.047 0.000 1.245 358 M CA -0.997 53.992 55.300 -0.518 0.000 0.871 358 M CB 1.754 34.281 32.600 -0.123 0.000 1.722 358 M HN 0.160 nan 8.290 nan 0.000 0.473 359 A N 0.362 122.379 122.820 -1.339 0.000 2.612 359 A HA 1.044 5.364 4.320 0.000 0.000 0.293 359 A C -0.749 176.023 177.584 -1.354 0.000 1.075 359 A CA -0.048 51.068 52.037 -1.535 0.000 0.680 359 A CB 1.625 19.831 19.000 -1.323 0.000 1.279 359 A HN 1.618 nan 8.150 nan 0.000 0.411 360 G N -0.866 106.905 108.800 -1.714 0.000 2.578 360 G HA2 0.597 4.557 3.960 0.000 0.000 0.302 360 G HA3 0.597 4.557 3.960 0.000 0.000 0.302 360 G C -1.797 172.582 174.900 -0.869 0.000 1.243 360 G CA -0.512 44.052 45.100 -0.893 0.000 0.843 360 G HN 0.635 nan 8.290 nan 0.000 0.486 361 F N 0.176 119.905 119.950 -0.369 0.000 2.469 361 F HA 0.474 5.001 4.527 -0.000 0.000 0.332 361 F C 1.071 176.951 175.800 0.133 0.000 1.103 361 F CA -0.622 57.135 58.000 -0.405 0.000 0.979 361 F CB 2.321 40.510 39.000 -1.352 0.000 1.137 361 F HN 0.347 nan 8.300 nan 0.000 0.463 362 L N 1.211 122.623 121.223 0.316 0.000 2.240 362 L HA 0.197 4.537 4.340 0.000 0.000 0.211 362 L C -0.074 176.876 176.870 0.133 0.000 1.106 362 L CA 1.641 56.637 54.840 0.260 0.000 0.793 362 L CB -0.153 42.011 42.059 0.175 0.000 0.927 362 L HN 0.532 nan 8.230 nan 0.000 0.446 363 D N -2.459 118.003 120.400 0.104 0.000 2.931 363 D HA 0.038 4.678 4.640 0.000 0.000 0.215 363 D C -0.616 175.713 176.300 0.048 0.000 1.297 363 D CA -0.370 53.652 54.000 0.038 0.000 0.892 363 D CB 0.587 41.410 40.800 0.037 0.000 1.642 363 D HN 0.058 nan 8.370 nan 0.000 0.560 364 W N 2.294 123.499 121.300 -0.159 0.000 3.180 364 W HA 0.242 4.902 4.660 -0.000 0.000 0.254 364 W C 1.592 178.046 176.519 -0.108 0.000 1.318 364 W CA -0.131 57.050 57.345 -0.273 0.000 1.608 364 W CB 0.326 29.553 29.460 -0.388 0.000 1.124 364 W HN 0.364 nan 8.180 nan 0.000 0.694 365 G N 0.248 109.136 108.800 0.147 0.000 2.380 365 G HA2 -0.021 3.939 3.960 0.000 0.000 0.242 365 G HA3 -0.021 3.939 3.960 0.000 0.000 0.242 365 G C 0.289 175.344 174.900 0.258 0.000 1.298 365 G CA -0.520 44.678 45.100 0.164 0.000 0.878 365 G HN 0.207 nan 8.290 nan 0.000 0.542 366 F N 2.060 122.132 119.950 0.203 0.000 2.095 366 F HA -0.143 4.384 4.527 -0.000 0.000 0.298 366 F C 2.473 178.459 175.800 0.311 0.000 1.104 366 F CA 2.185 60.356 58.000 0.285 0.000 1.232 366 F CB 0.235 39.492 39.000 0.428 0.000 0.987 366 F HN 0.364 nan 8.300 nan 0.000 0.475 367 S N 0.257 116.167 115.700 0.350 0.000 2.593 367 S HA 0.368 4.838 4.470 0.000 0.000 0.217 367 S C 0.646 175.194 174.600 -0.087 0.000 0.966 367 S CA 0.142 58.341 58.200 -0.001 0.000 0.914 367 S CB -0.529 62.667 63.200 -0.007 0.000 0.776 367 S HN 0.438 nan 8.310 nan 0.000 0.523 368 A N 1.263 124.138 122.820 0.092 0.000 2.327 368 A HA 0.761 5.081 4.320 0.000 0.000 0.283 368 A C -0.579 177.223 177.584 0.364 0.000 1.127 368 A CA -0.240 51.872 52.037 0.124 0.000 0.810 368 A CB 0.435 19.492 19.000 0.096 0.000 1.066 368 A HN 0.424 nan 8.150 nan 0.000 0.492 369 Y N 0.274 120.708 120.300 0.223 0.000 2.972 369 Y HA 0.379 4.929 4.550 0.000 0.000 0.387 369 Y C 0.410 176.581 175.900 0.451 0.000 1.212 369 Y CA 0.141 58.448 58.100 0.345 0.000 1.147 369 Y CB 0.259 38.999 38.460 0.466 0.000 1.561 369 Y HN 1.997 nan 8.280 nan 0.000 0.454 370 A N 0.766 123.393 122.820 -0.321 0.000 2.596 370 A HA 0.040 4.360 4.320 0.000 0.000 0.300 370 A C 0.248 177.903 177.584 0.118 0.000 1.495 370 A CA 1.086 53.094 52.037 -0.049 0.000 0.769 370 A CB -2.131 17.034 19.000 0.275 0.000 1.047 370 A HN 1.875 nan 8.150 nan 0.000 0.436 371 A N -0.327 122.540 122.820 0.077 0.000 2.520 371 A HA 0.575 4.895 4.320 0.000 0.000 0.245 371 A C 0.763 178.475 177.584 0.212 0.000 1.072 371 A CA 0.777 52.923 52.037 0.181 0.000 0.761 371 A CB 0.096 19.180 19.000 0.140 0.000 1.004 371 A HN 2.348 nan 8.150 nan 0.000 0.499 372 A N 2.751 125.783 122.820 0.352 0.000 2.357 372 A HA 0.733 5.053 4.320 0.000 0.000 0.295 372 A C 0.291 178.268 177.584 0.654 0.000 1.121 372 A CA 0.169 52.460 52.037 0.423 0.000 0.742 372 A CB 0.920 20.098 19.000 0.297 0.000 1.181 372 A HN 1.740 nan 8.150 nan 0.000 0.454 373 G N 0.578 109.745 108.800 0.613 0.000 3.108 373 G HA2 0.735 4.695 3.960 0.000 0.000 0.268 373 G HA3 0.735 4.695 3.960 0.000 0.000 0.268 373 G C -0.890 174.258 174.900 0.414 0.000 1.361 373 G CA -0.735 44.614 45.100 0.415 0.000 1.047 373 G HN 0.799 nan 8.290 nan 0.000 0.540 374 K N -1.573 118.715 120.400 -0.186 0.000 2.625 374 K HA 0.457 4.777 4.320 0.000 0.000 0.284 374 K C -1.079 175.426 176.600 -0.158 0.000 0.984 374 K CA -0.572 55.790 56.287 0.125 0.000 0.865 374 K CB 1.663 34.460 32.500 0.494 0.000 1.468 374 K HN 0.412 nan 8.250 nan 0.000 0.407 375 V N 2.879 122.859 119.914 0.110 0.000 2.614 375 V HA 0.308 4.428 4.120 0.000 0.000 0.291 375 V C -0.283 175.842 176.094 0.052 0.000 1.049 375 V CA -0.433 61.855 62.300 -0.019 0.000 1.038 375 V CB 0.843 32.658 31.823 -0.012 0.000 0.980 375 V HN 0.576 nan 8.190 nan 0.000 0.481 376 L N 9.030 130.223 121.223 -0.051 0.000 2.337 376 L HA 0.593 4.933 4.340 0.000 0.000 0.269 376 L C -2.500 174.366 176.870 -0.007 0.000 1.018 376 L CA -1.888 52.900 54.840 -0.085 0.000 0.876 376 L CB 1.399 43.269 42.059 -0.315 0.000 1.236 376 L HN 0.400 nan 8.230 nan 0.000 0.436 377 P HA 0.122 nan 4.420 nan 0.000 0.269 377 P C 0.121 177.451 177.300 0.049 0.000 1.209 377 P CA 0.039 63.188 63.100 0.081 0.000 0.776 377 P CB 0.882 32.652 31.700 0.116 0.000 0.876 378 A N 2.129 124.980 122.820 0.052 0.000 2.121 378 A HA -0.109 4.211 4.320 0.000 0.000 0.218 378 A C 1.826 179.430 177.584 0.033 0.000 1.154 378 A CA 1.675 53.731 52.037 0.032 0.000 0.679 378 A CB -1.308 17.714 19.000 0.037 0.000 0.795 378 A HN 0.580 nan 8.150 nan 0.000 0.458 379 S N 0.283 116.013 115.700 0.050 0.000 2.603 379 S HA 0.067 4.537 4.470 0.000 0.000 0.220 379 S C 0.996 175.628 174.600 0.053 0.000 0.967 379 S CA 0.323 58.554 58.200 0.051 0.000 0.920 379 S CB -0.812 62.426 63.200 0.064 0.000 0.773 379 S HN 0.710 nan 8.310 nan 0.000 0.529 380 S N 0.934 116.666 115.700 0.053 0.000 2.585 380 S HA 0.660 5.130 4.470 0.000 0.000 0.273 380 S C 1.346 175.964 174.600 0.030 0.000 1.339 380 S CA -0.324 57.911 58.200 0.059 0.000 1.028 380 S CB 1.074 64.308 63.200 0.057 0.000 0.906 380 S HN 0.455 nan 8.310 nan 0.000 0.528 381 A N 2.122 124.962 122.820 0.034 0.000 1.972 381 A HA 0.016 4.336 4.320 0.000 0.000 0.219 381 A C 2.094 179.669 177.584 -0.016 0.000 1.169 381 A CA 1.478 53.521 52.037 0.009 0.000 0.635 381 A CB -1.205 17.801 19.000 0.010 0.000 0.810 381 A HN 0.799 nan 8.150 nan 0.000 0.446 382 V N -0.149 119.753 119.914 -0.021 0.000 2.261 382 V HA -0.236 3.884 4.120 0.000 0.000 0.246 382 V C 2.774 178.829 176.094 -0.065 0.000 1.047 382 V CA 2.462 64.726 62.300 -0.060 0.000 1.015 382 V CB -0.877 30.893 31.823 -0.089 0.000 0.642 382 V HN 0.561 nan 8.190 nan 0.000 0.446 383 S N -0.739 114.930 115.700 -0.052 0.000 2.387 383 S HA -0.142 4.328 4.470 0.000 0.000 0.226 383 S C 1.939 176.520 174.600 -0.031 0.000 1.026 383 S CA 1.173 59.345 58.200 -0.045 0.000 0.972 383 S CB -0.216 62.965 63.200 -0.032 0.000 0.814 383 S HN 0.585 nan 8.310 nan 0.000 0.477 384 K N 0.904 121.293 120.400 -0.019 0.000 2.026 384 K HA -0.063 4.257 4.320 0.000 0.000 0.208 384 K C 2.311 178.896 176.600 -0.025 0.000 1.048 384 K CA 1.640 57.918 56.287 -0.014 0.000 0.929 384 K CB -0.600 31.896 32.500 -0.006 0.000 0.713 384 K HN 0.239 nan 8.250 nan 0.000 0.439 385 T N 0.965 115.499 114.554 -0.034 0.000 2.720 385 T HA -0.137 4.213 4.350 0.000 0.000 0.268 385 T C 2.029 176.699 174.700 -0.050 0.000 1.037 385 T CA 1.880 63.955 62.100 -0.043 0.000 1.144 385 T CB -0.219 68.616 68.868 -0.054 0.000 0.864 385 T HN 0.376 nan 8.240 nan 0.000 0.444 386 S N 0.165 115.831 115.700 -0.056 0.000 2.593 386 S HA 0.344 4.814 4.470 0.000 0.000 0.217 386 S C 1.713 176.285 174.600 -0.047 0.000 0.966 386 S CA 0.625 58.789 58.200 -0.061 0.000 0.914 386 S CB -0.215 62.940 63.200 -0.076 0.000 0.776 386 S HN 0.746 nan 8.310 nan 0.000 0.523 387 G N 0.548 109.326 108.800 -0.036 0.000 2.147 387 G HA2 -0.229 3.731 3.960 0.000 0.000 0.244 387 G HA3 -0.229 3.731 3.960 0.000 0.000 0.244 387 G C -0.017 174.869 174.900 -0.023 0.000 1.005 387 G CA 0.087 45.171 45.100 -0.026 0.000 0.713 387 G HN 0.709 nan 8.290 nan 0.000 0.515 388 V N 0.189 120.087 119.914 -0.027 0.000 2.555 388 V HA 0.304 4.424 4.120 0.000 0.000 0.286 388 V C 1.145 177.235 176.094 -0.006 0.000 1.044 388 V CA 0.516 62.803 62.300 -0.021 0.000 1.026 388 V CB 1.460 33.264 31.823 -0.032 0.000 0.981 388 V HN 0.462 nan 8.190 nan 0.000 0.480 389 E N 2.504 122.706 120.200 0.003 0.000 2.501 389 E HA 0.180 4.530 4.350 0.000 0.000 0.200 389 E C -0.062 176.554 176.600 0.027 0.000 1.016 389 E CA -0.008 56.400 56.400 0.014 0.000 0.921 389 E CB 1.309 31.016 29.700 0.013 0.000 1.034 389 E HN 0.681 nan 8.360 nan 0.000 0.468 390 V N -2.378 117.553 119.914 0.029 0.000 3.113 390 V HA 0.470 4.590 4.120 0.000 0.000 0.316 390 V C -0.664 175.466 176.094 0.060 0.000 1.125 390 V CA -1.197 61.132 62.300 0.049 0.000 1.026 390 V CB 2.193 34.045 31.823 0.048 0.000 1.080 390 V HN -0.214 nan 8.190 nan 0.000 0.444 391 D N 1.650 122.109 120.400 0.099 0.000 2.256 391 D HA 0.526 5.166 4.640 0.000 0.000 0.250 391 D C -0.053 176.327 176.300 0.134 0.000 1.093 391 D CA 0.091 54.164 54.000 0.121 0.000 0.882 391 D CB 1.335 42.250 40.800 0.191 0.000 1.185 391 D HN 0.569 nan 8.370 nan 0.000 0.437 392 R N 1.004 121.552 120.500 0.081 0.000 2.902 392 R HA 0.463 4.803 4.340 0.000 0.000 0.258 392 R C -0.982 175.371 176.300 0.088 0.000 1.071 392 R CA -0.985 55.160 56.100 0.076 0.000 1.024 392 R CB 1.671 31.956 30.300 -0.024 0.000 1.184 392 R HN 0.420 nan 8.270 nan 0.000 0.492 393 Y N 0.882 121.189 120.300 0.011 0.000 2.338 393 Y HA 0.354 4.904 4.550 -0.000 0.000 0.328 393 Y C -1.200 174.682 175.900 -0.031 0.000 0.965 393 Y CA -0.695 57.412 58.100 0.011 0.000 1.208 393 Y CB 1.259 39.812 38.460 0.154 0.000 1.132 393 Y HN 0.201 nan 8.280 nan 0.000 0.469 394 V N 5.470 125.084 119.914 -0.500 0.000 2.394 394 V HA 0.436 4.556 4.120 0.000 0.000 0.282 394 V C -0.255 175.562 176.094 -0.462 0.000 1.031 394 V CA -0.450 61.588 62.300 -0.438 0.000 0.881 394 V CB 1.452 32.981 31.823 -0.491 0.000 0.982 394 V HN 0.775 nan 8.190 nan 0.000 0.451 395 S N 4.922 120.433 115.700 -0.316 0.000 2.473 395 S HA 0.746 5.216 4.470 0.000 0.000 0.307 395 S C -1.118 173.360 174.600 -0.204 0.000 1.094 395 S CA -0.445 57.707 58.200 -0.080 0.000 1.070 395 S CB 0.582 63.864 63.200 0.136 0.000 1.019 395 S HN 0.401 nan 8.310 nan 0.000 0.480 396 F N 3.960 123.998 119.950 0.145 0.000 2.375 396 F HA 0.457 4.984 4.527 0.000 0.000 0.361 396 F C 0.083 176.011 175.800 0.213 0.000 1.117 396 F CA -0.793 57.304 58.000 0.161 0.000 1.037 396 F CB 1.565 40.665 39.000 0.167 0.000 1.192 396 F HN 0.217 nan 8.300 nan 0.000 0.452 397 V N 2.610 122.716 119.914 0.320 0.000 2.567 397 V HA 0.134 4.254 4.120 0.000 0.000 0.289 397 V C -0.539 175.773 176.094 0.363 0.000 1.049 397 V CA -0.876 61.600 62.300 0.294 0.000 0.969 397 V CB 1.245 33.181 31.823 0.188 0.000 0.995 397 V HN 0.731 nan 8.190 nan 0.000 0.471 398 W N 5.844 127.251 121.300 0.177 0.000 2.315 398 W HA 0.592 5.252 4.660 -0.000 0.000 0.316 398 W C -0.790 175.806 176.519 0.129 0.000 1.211 398 W CA -1.153 56.289 57.345 0.162 0.000 1.201 398 W CB 1.166 30.746 29.460 0.200 0.000 1.184 398 W HN 0.411 nan 8.180 nan 0.000 0.544 399 L N 7.350 128.428 121.223 -0.242 0.000 2.356 399 L HA 0.259 4.599 4.340 0.000 0.000 0.264 399 L C 0.448 176.895 176.870 -0.704 0.000 1.029 399 L CA -0.226 54.348 54.840 -0.445 0.000 0.897 399 L CB 0.634 42.463 42.059 -0.383 0.000 1.256 399 L HN 0.476 nan 8.230 nan 0.000 0.444 400 T N 2.224 115.953 114.554 -1.375 0.000 2.946 400 T HA 0.188 4.538 4.350 0.000 0.000 0.312 400 T C 1.329 175.799 174.700 -0.384 0.000 1.066 400 T CA 0.821 62.156 62.100 -1.274 0.000 1.138 400 T CB 0.771 68.618 68.868 -1.703 0.000 1.014 400 T HN 0.810 nan 8.240 nan 0.000 0.544 401 G N 2.398 111.030 108.800 -0.280 0.000 2.683 401 G HA2 0.077 4.037 3.960 0.000 0.000 0.213 401 G HA3 0.077 4.037 3.960 0.000 0.000 0.213 401 G C 0.281 174.683 174.900 -0.830 0.000 1.142 401 G CA 0.347 45.127 45.100 -0.532 0.000 0.793 401 G HN 0.834 nan 8.290 nan 0.000 0.534 402 D N -1.076 118.999 120.400 -0.541 0.000 2.945 402 D HA 0.182 4.822 4.640 0.000 0.000 0.366 402 D C 0.262 176.413 176.300 -0.248 0.000 1.352 402 D CA -0.818 52.911 54.000 -0.451 0.000 0.810 402 D CB -0.738 39.874 40.800 -0.314 0.000 1.170 402 D HN 0.220 nan 8.370 nan 0.000 0.461 403 Q N 0.315 119.955 119.800 -0.267 0.000 2.423 403 Q HA -0.276 4.064 4.340 0.000 0.000 0.332 403 Q C -0.694 175.297 176.000 -0.016 0.000 1.355 403 Q CA 0.390 56.159 55.803 -0.057 0.000 0.947 403 Q CB -2.063 26.817 28.738 0.236 0.000 1.189 403 Q HN 0.566 nan 8.270 nan 0.000 0.418 404 Y N -2.181 118.040 120.300 -0.131 0.000 3.305 404 Y HA -0.330 4.220 4.550 -0.000 0.000 0.212 404 Y C 0.569 176.477 175.900 0.014 0.000 1.248 404 Y CA 1.197 59.234 58.100 -0.105 0.000 1.359 404 Y CB -2.540 35.711 38.460 -0.347 0.000 1.407 404 Y HN 0.599 nan 8.280 nan 0.000 0.572 405 E N -2.146 118.103 120.200 0.082 0.000 2.791 405 E HA -0.334 4.016 4.350 0.000 0.000 0.271 405 E C 0.710 177.362 176.600 0.086 0.000 1.044 405 E CA 0.723 57.170 56.400 0.077 0.000 0.814 405 E CB -0.500 29.263 29.700 0.105 0.000 1.400 405 E HN 0.593 nan 8.360 nan 0.000 0.423 406 Q N -1.689 118.174 119.800 0.104 0.000 2.171 406 Q HA 0.318 4.658 4.340 0.000 0.000 0.218 406 Q C 0.382 176.432 176.000 0.084 0.000 0.822 406 Q CA 0.650 56.518 55.803 0.108 0.000 0.987 406 Q CB 1.046 29.883 28.738 0.165 0.000 1.144 406 Q HN 0.366 nan 8.270 nan 0.000 0.494 407 A N 1.455 124.307 122.820 0.054 0.000 2.520 407 A HA 0.001 4.321 4.320 0.000 0.000 0.235 407 A C 0.082 177.696 177.584 0.051 0.000 1.065 407 A CA 0.006 52.067 52.037 0.041 0.000 0.764 407 A CB 0.072 19.072 19.000 -0.000 0.000 1.002 407 A HN 0.059 nan 8.150 nan 0.000 0.502 408 D N 1.544 121.972 120.400 0.047 0.000 2.551 408 D HA 0.392 5.032 4.640 0.000 0.000 0.223 408 D C 1.095 177.412 176.300 0.028 0.000 1.144 408 D CA 1.295 55.314 54.000 0.032 0.000 1.025 408 D CB -0.905 39.907 40.800 0.019 0.000 1.085 408 D HN 1.142 nan 8.370 nan 0.000 0.506 409 G N 3.265 112.087 108.800 0.037 0.000 2.324 409 G HA2 -0.310 3.650 3.960 0.000 0.000 0.292 409 G HA3 -0.310 3.650 3.960 0.000 0.000 0.292 409 G C 0.167 175.083 174.900 0.026 0.000 1.079 409 G CA -0.177 44.938 45.100 0.025 0.000 1.026 409 G HN 0.500 nan 8.290 nan 0.000 0.506 410 F N 1.585 121.486 119.950 -0.082 0.000 2.553 410 F HA 0.447 4.974 4.527 0.000 0.000 0.356 410 F C -0.919 174.830 175.800 -0.085 0.000 1.142 410 F CA -1.447 56.486 58.000 -0.112 0.000 1.322 410 F CB 0.751 39.645 39.000 -0.178 0.000 1.126 410 F HN 0.093 nan 8.300 nan 0.000 0.599 411 P HA 0.033 nan 4.420 nan 0.000 0.235 411 P C 0.286 177.426 177.300 -0.268 0.000 1.765 411 P CA 0.257 63.081 63.100 -0.460 0.000 1.034 411 P CB -0.101 31.301 31.700 -0.496 0.000 1.984 412 T N 0.936 115.506 114.554 0.027 0.000 2.737 412 T HA -0.120 4.230 4.350 0.000 0.000 0.265 412 T C 1.954 176.672 174.700 0.030 0.000 1.038 412 T CA 1.804 63.973 62.100 0.115 0.000 1.144 412 T CB -0.288 68.652 68.868 0.119 0.000 0.866 412 T HN 0.277 nan 8.240 nan 0.000 0.434 413 A N 1.143 123.976 122.820 0.021 0.000 1.972 413 A HA -0.139 4.181 4.320 0.000 0.000 0.219 413 A C 2.271 179.873 177.584 0.031 0.000 1.169 413 A CA 1.416 53.472 52.037 0.032 0.000 0.635 413 A CB -0.557 18.458 19.000 0.025 0.000 0.810 413 A HN 0.380 nan 8.150 nan 0.000 0.446 414 Q N -0.759 119.036 119.800 -0.007 0.000 2.119 414 Q HA -0.135 4.205 4.340 0.000 0.000 0.201 414 Q C 2.119 178.121 176.000 0.003 0.000 0.972 414 Q CA 1.813 57.611 55.803 -0.007 0.000 0.847 414 Q CB -0.304 28.402 28.738 -0.053 0.000 0.903 414 Q HN 0.854 nan 8.270 nan 0.000 0.433 415 Q N -0.974 118.798 119.800 -0.047 0.000 2.137 415 Q HA -0.018 4.322 4.340 0.000 0.000 0.198 415 Q C 0.705 176.713 176.000 0.014 0.000 0.960 415 Q CA 1.041 56.769 55.803 -0.125 0.000 0.847 415 Q CB 0.086 28.626 28.738 -0.329 0.000 0.915 415 Q HN 0.467 nan 8.270 nan 0.000 0.448 416 G N -0.042 108.819 108.800 0.102 0.000 2.179 416 G HA2 -0.228 3.732 3.960 0.000 0.000 0.260 416 G HA3 -0.228 3.732 3.960 0.000 0.000 0.260 416 G C -0.343 174.781 174.900 0.374 0.000 0.977 416 G CA 0.546 45.840 45.100 0.324 0.000 0.641 416 G HN 0.426 nan 8.290 nan 0.000 0.533 417 W N -1.711 119.593 121.300 0.007 0.000 3.059 417 W HA 0.686 5.346 4.660 0.000 0.000 0.329 417 W C -1.088 175.408 176.519 -0.037 0.000 1.246 417 W CA -0.485 56.842 57.345 -0.031 0.000 1.190 417 W CB 0.507 29.857 29.460 -0.183 0.000 1.423 417 W HN 0.470 nan 8.180 nan 0.000 0.571 418 T N 1.720 116.382 114.554 0.180 0.000 3.071 418 T HA 0.607 4.957 4.350 0.000 0.000 0.311 418 T C 0.022 174.852 174.700 0.217 0.000 1.042 418 T CA 0.514 62.580 62.100 -0.055 0.000 1.028 418 T CB 1.120 69.955 68.868 -0.056 0.000 1.068 418 T HN 1.531 nan 8.240 nan 0.000 0.451 419 G N 1.968 110.883 108.800 0.192 0.000 2.795 419 G HA2 0.252 4.212 3.960 0.000 0.000 0.664 419 G HA3 0.252 4.212 3.960 0.000 0.000 0.664 419 G C -0.405 174.825 174.900 0.551 0.000 1.381 419 G CA -0.138 45.216 45.100 0.424 0.000 0.853 419 G HN 1.380 nan 8.290 nan 0.000 0.545 420 S N -1.419 114.522 115.700 0.401 0.000 2.595 420 S HA 0.684 5.154 4.470 0.000 0.000 0.270 420 S C -0.595 174.125 174.600 0.199 0.000 1.145 420 S CA -0.380 57.951 58.200 0.219 0.000 0.825 420 S CB 1.056 64.340 63.200 0.140 0.000 1.107 420 S HN 1.154 nan 8.310 nan 0.000 0.461 421 L N 2.668 123.995 121.223 0.174 0.000 2.375 421 L HA 0.574 4.914 4.340 0.000 0.000 0.268 421 L C -0.067 176.977 176.870 0.291 0.000 1.058 421 L CA -0.938 54.055 54.840 0.255 0.000 0.803 421 L CB 0.957 43.159 42.059 0.238 0.000 1.212 421 L HN 0.613 nan 8.230 nan 0.000 0.451 422 L N 1.113 122.502 121.223 0.277 0.000 2.469 422 L HA 0.364 4.704 4.340 0.000 0.000 0.253 422 L C 0.002 177.011 176.870 0.232 0.000 1.143 422 L CA -0.868 54.150 54.840 0.297 0.000 0.804 422 L CB 0.613 42.765 42.059 0.154 0.000 1.214 422 L HN 0.365 nan 8.230 nan 0.000 0.476 423 L N 1.290 122.577 121.223 0.106 0.000 2.485 423 L HA 0.109 4.449 4.340 0.000 0.000 0.275 423 L C -2.073 174.780 176.870 -0.027 0.000 1.207 423 L CA -1.624 53.191 54.840 -0.042 0.000 0.855 423 L CB -0.171 41.873 42.059 -0.025 0.000 1.114 423 L HN 0.263 nan 8.230 nan 0.000 0.485 424 P HA 0.109 nan 4.420 nan 0.000 0.265 424 P C -0.996 176.137 177.300 -0.278 0.000 1.193 424 P CA 0.241 63.052 63.100 -0.481 0.000 0.765 424 P CB 0.487 31.878 31.700 -0.514 0.000 0.823 425 R N 1.876 122.210 120.500 -0.277 0.000 2.670 425 R HA 0.382 4.722 4.340 0.000 0.000 0.289 425 R C -0.239 175.980 176.300 -0.135 0.000 0.965 425 R CA -0.796 55.232 56.100 -0.119 0.000 0.899 425 R CB 1.966 32.275 30.300 0.015 0.000 1.173 425 R HN 0.457 nan 8.270 nan 0.000 0.456 426 E N 2.059 122.202 120.200 -0.094 0.000 2.227 426 E HA 0.225 4.575 4.350 0.000 0.000 0.282 426 E C -0.902 175.675 176.600 -0.038 0.000 1.015 426 E CA -0.602 55.755 56.400 -0.071 0.000 0.823 426 E CB 1.069 30.725 29.700 -0.073 0.000 1.081 426 E HN -0.002 nan 8.360 nan 0.000 0.396 427 L N 4.222 125.445 121.223 0.001 0.000 2.322 427 L HA 0.451 4.791 4.340 0.000 0.000 0.281 427 L C -0.196 176.593 176.870 -0.134 0.000 1.014 427 L CA -0.216 54.573 54.840 -0.085 0.000 0.815 427 L CB 1.146 43.170 42.059 -0.057 0.000 1.247 427 L HN 0.548 nan 8.230 nan 0.000 0.421 428 K N 1.347 121.598 120.400 -0.249 0.000 2.571 428 K HA 0.653 4.973 4.320 0.000 0.000 0.289 428 K C -1.601 174.814 176.600 -0.308 0.000 1.028 428 K CA -0.945 55.204 56.287 -0.230 0.000 0.895 428 K CB 1.388 33.831 32.500 -0.096 0.000 1.534 428 K HN 0.025 nan 8.250 nan 0.000 0.421 429 V N 1.979 121.774 119.914 -0.198 0.000 2.470 429 V HA 0.118 4.238 4.120 0.000 0.000 0.276 429 V C -0.261 175.809 176.094 -0.040 0.000 1.040 429 V CA 0.035 62.276 62.300 -0.098 0.000 1.008 429 V CB 0.674 32.520 31.823 0.038 0.000 0.990 429 V HN 0.678 nan 8.190 nan 0.000 0.477 430 Q N 4.111 123.901 119.800 -0.017 0.000 2.274 430 Q HA 0.591 4.931 4.340 0.000 0.000 0.260 430 Q C -0.211 175.824 176.000 0.058 0.000 0.974 430 Q CA -0.402 55.413 55.803 0.020 0.000 0.876 430 Q CB 1.860 30.617 28.738 0.031 0.000 1.297 430 Q HN 0.915 nan 8.270 nan 0.000 0.446 431 T N -0.326 114.256 114.554 0.046 0.000 2.885 431 T HA 0.756 5.106 4.350 0.000 0.000 0.285 431 T C -0.746 173.973 174.700 0.031 0.000 1.019 431 T CA -0.819 61.306 62.100 0.042 0.000 1.010 431 T CB 1.279 70.164 68.868 0.028 0.000 1.022 431 T HN 0.298 nan 8.240 nan 0.000 0.466 432 V N 2.690 122.608 119.914 0.006 0.000 2.349 432 V HA 0.374 4.494 4.120 0.000 0.000 0.284 432 V C 0.102 176.167 176.094 -0.049 0.000 1.014 432 V CA -0.774 61.517 62.300 -0.015 0.000 0.826 432 V CB 0.662 32.457 31.823 -0.048 0.000 1.009 432 V HN 0.946 nan 8.190 nan 0.000 0.431 433 E N 2.607 122.793 120.200 -0.024 0.000 2.312 433 E HA 0.368 4.718 4.350 0.000 0.000 0.259 433 E C 0.320 176.901 176.600 -0.032 0.000 1.122 433 E CA -0.492 55.892 56.400 -0.027 0.000 0.922 433 E CB 0.429 30.123 29.700 -0.010 0.000 1.109 433 E HN 0.764 nan 8.360 nan 0.000 0.442 434 N N -1.019 117.663 118.700 -0.030 0.000 2.721 434 N HA -0.185 4.555 4.740 0.000 0.000 0.249 434 N C -1.031 174.458 175.510 -0.035 0.000 1.072 434 N CA -0.273 52.762 53.050 -0.024 0.000 0.710 434 N CB -1.149 37.332 38.487 -0.010 0.000 0.993 434 N HN 0.022 nan 8.380 nan 0.000 0.547 435 V N 1.238 121.109 119.914 -0.073 0.000 2.461 435 V HA 0.146 4.266 4.120 0.000 0.000 0.275 435 V C 1.020 177.065 176.094 -0.081 0.000 1.047 435 V CA -0.615 61.620 62.300 -0.108 0.000 0.955 435 V CB 1.649 33.308 31.823 -0.274 0.000 0.988 435 V HN 0.032 nan 8.190 nan 0.000 0.471 436 V N 4.775 124.668 119.914 -0.035 0.000 2.420 436 V HA -0.023 4.097 4.120 0.000 0.000 0.274 436 V C 0.907 176.988 176.094 -0.022 0.000 1.003 436 V CA 0.109 62.402 62.300 -0.011 0.000 1.092 436 V CB 0.191 32.028 31.823 0.022 0.000 1.002 436 V HN 0.897 nan 8.190 nan 0.000 0.473 437 D N 5.567 125.953 120.400 -0.025 0.000 2.359 437 D HA 0.051 4.691 4.640 0.000 0.000 0.273 437 D C 0.147 176.458 176.300 0.019 0.000 1.362 437 D CA 0.336 54.328 54.000 -0.015 0.000 1.010 437 D CB 0.038 40.832 40.800 -0.010 0.000 1.090 437 D HN 0.900 nan 8.370 nan 0.000 0.521 438 N N 0.586 119.313 118.700 0.044 0.000 3.204 438 N HA 0.155 4.895 4.740 0.000 0.000 0.285 438 N C 0.637 176.213 175.510 0.110 0.000 1.536 438 N CA -0.660 52.432 53.050 0.070 0.000 0.832 438 N CB 0.511 39.041 38.487 0.071 0.000 1.645 438 N HN -0.219 nan 8.380 nan 0.000 0.586 439 E N 0.073 120.338 120.200 0.108 0.000 2.197 439 E HA -0.199 4.151 4.350 0.000 0.000 0.205 439 E C 1.333 178.056 176.600 0.205 0.000 1.029 439 E CA 1.883 58.364 56.400 0.134 0.000 0.828 439 E CB -0.536 29.234 29.700 0.117 0.000 0.737 439 E HN 0.532 nan 8.360 nan 0.000 0.464 440 L N -0.212 121.153 121.223 0.237 0.000 2.191 440 L HA -0.134 4.206 4.340 0.000 0.000 0.212 440 L C 1.968 179.147 176.870 0.514 0.000 1.103 440 L CA 0.626 55.678 54.840 0.353 0.000 0.769 440 L CB -0.199 42.072 42.059 0.353 0.000 0.908 440 L HN 0.095 nan 8.230 nan 0.000 0.438 441 V N -1.321 118.795 119.914 0.337 0.000 2.825 441 V HA 0.001 4.121 4.120 0.000 0.000 0.246 441 V C 2.069 178.396 176.094 0.388 0.000 1.068 441 V CA 0.757 63.238 62.300 0.301 0.000 1.088 441 V CB -0.265 31.553 31.823 -0.007 0.000 0.733 441 V HN 0.335 nan 8.190 nan 0.000 0.468 442 R N 0.712 121.352 120.500 0.233 0.000 2.310 442 R HA 0.193 4.533 4.340 0.000 0.000 0.202 442 R C 0.829 177.195 176.300 0.110 0.000 0.933 442 R CA -0.162 56.026 56.100 0.147 0.000 1.054 442 R CB -0.414 29.941 30.300 0.091 0.000 0.985 442 R HN 0.629 nan 8.270 nan 0.000 0.489 443 E N 1.727 122.024 120.200 0.161 0.000 2.438 443 E HA -0.071 4.279 4.350 0.000 0.000 0.261 443 E C -0.584 175.987 176.600 -0.049 0.000 1.103 443 E CA 0.265 56.719 56.400 0.090 0.000 0.959 443 E CB 0.650 30.454 29.700 0.174 0.000 0.958 443 E HN 0.146 nan 8.360 nan 0.000 0.447 444 E N 0.760 120.921 120.200 -0.065 0.000 2.319 444 E HA 0.316 4.666 4.350 0.000 0.000 0.268 444 E C 0.037 176.490 176.600 -0.245 0.000 1.050 444 E CA 0.021 56.325 56.400 -0.159 0.000 0.878 444 E CB 1.172 30.789 29.700 -0.139 0.000 1.066 444 E HN 0.782 nan 8.360 nan 0.000 0.406 445 G N 0.993 109.549 108.800 -0.407 0.000 2.359 445 G HA2 -0.209 3.751 3.960 0.000 0.000 0.298 445 G HA3 -0.209 3.751 3.960 0.000 0.000 0.298 445 G C 0.115 174.887 174.900 -0.214 0.000 1.030 445 G CA 0.515 45.233 45.100 -0.637 0.000 1.149 445 G HN 0.390 nan 8.290 nan 0.000 0.512 446 V N -3.236 116.492 119.914 -0.311 0.000 3.284 446 V HA 0.917 5.037 4.120 0.000 0.000 0.309 446 V C 0.930 176.716 176.094 -0.513 0.000 1.190 446 V CA 0.014 61.744 62.300 -0.950 0.000 1.038 446 V CB 1.862 32.325 31.823 -2.268 0.000 1.198 446 V HN 0.497 nan 8.190 nan 0.000 0.465 447 S N 0.924 116.255 115.700 -0.614 0.000 2.552 447 S HA 0.415 4.885 4.470 0.000 0.000 0.246 447 S C -0.586 174.252 174.600 0.396 0.000 1.019 447 S CA -0.288 57.918 58.200 0.010 0.000 1.045 447 S CB -1.026 62.437 63.200 0.439 0.000 0.784 447 S HN 0.968 nan 8.310 nan 0.000 0.453 448 W N -0.399 121.011 121.300 0.184 0.000 3.153 448 W HA 0.658 5.318 4.660 0.000 0.000 0.316 448 W C -1.650 174.929 176.519 0.101 0.000 1.255 448 W CA -1.440 56.017 57.345 0.188 0.000 1.192 448 W CB 0.334 29.900 29.460 0.176 0.000 1.400 448 W HN -0.029 nan 8.180 nan 0.000 0.568 449 V N -0.343 119.775 119.914 0.341 0.000 2.962 449 V HA 0.817 4.937 4.120 0.000 0.000 0.313 449 V C -0.855 175.363 176.094 0.207 0.000 1.099 449 V CA -1.442 60.977 62.300 0.199 0.000 0.971 449 V CB 1.212 33.092 31.823 0.095 0.000 1.028 449 V HN 0.692 nan 8.190 nan 0.000 0.430 450 V N 3.493 123.491 119.914 0.141 0.000 2.439 450 V HA 0.393 4.513 4.120 0.000 0.000 0.271 450 V C 1.578 177.701 176.094 0.048 0.000 1.040 450 V CA 1.043 63.389 62.300 0.077 0.000 1.002 450 V CB 0.555 32.409 31.823 0.051 0.000 1.000 450 V HN 1.214 nan 8.190 nan 0.000 0.477 451 G N 4.545 113.367 108.800 0.037 0.000 2.623 451 G HA2 0.182 4.142 3.960 0.000 0.000 0.214 451 G HA3 0.182 4.142 3.960 0.000 0.000 0.214 451 G C 0.335 175.244 174.900 0.015 0.000 1.138 451 G CA 0.663 45.781 45.100 0.029 0.000 0.794 451 G HN 0.853 nan 8.290 nan 0.000 0.535 452 E N -2.650 117.554 120.200 0.007 0.000 2.398 452 E HA 0.530 4.880 4.350 0.000 0.000 0.280 452 E C -1.456 175.141 176.600 -0.006 0.000 1.122 452 E CA -0.881 55.520 56.400 0.002 0.000 0.873 452 E CB 0.676 30.376 29.700 0.001 0.000 1.294 452 E HN 0.064 nan 8.360 nan 0.000 0.435 453 S N -0.385 115.312 115.700 -0.005 0.000 2.633 453 S HA 0.323 4.793 4.470 0.000 0.000 0.271 453 S C -1.716 172.881 174.600 -0.004 0.000 1.112 453 S CA -0.448 57.748 58.200 -0.008 0.000 0.828 453 S CB 1.321 64.517 63.200 -0.007 0.000 1.086 453 S HN 0.584 nan 8.310 nan 0.000 0.461 454 D N 1.734 122.132 120.400 -0.004 0.000 2.599 454 D HA 0.331 4.971 4.640 0.000 0.000 0.249 454 D C 0.318 176.618 176.300 -0.001 0.000 1.313 454 D CA -0.248 53.751 54.000 -0.002 0.000 0.815 454 D CB 0.144 40.943 40.800 -0.002 0.000 1.077 454 D HN 0.559 nan 8.370 nan 0.000 0.492 455 N N 0.484 119.183 118.700 -0.001 0.000 2.972 455 N HA -0.228 4.512 4.740 0.000 0.000 0.225 455 N C 1.291 176.802 175.510 0.002 0.000 0.883 455 N CA 1.742 54.793 53.050 0.002 0.000 1.010 455 N CB -0.454 38.035 38.487 0.004 0.000 1.052 455 N HN 0.384 nan 8.380 nan 0.000 0.598 456 Q N -0.271 119.529 119.800 -0.001 0.000 2.387 456 Q HA 0.222 4.562 4.340 0.000 0.000 0.212 456 Q C 0.930 176.927 176.000 -0.005 0.000 0.925 456 Q CA 1.357 57.160 55.803 -0.000 0.000 0.901 456 Q CB 0.192 28.930 28.738 -0.000 0.000 1.020 456 Q HN 0.438 nan 8.270 nan 0.000 0.545 457 T N -2.628 111.919 114.554 -0.012 0.000 2.853 457 T HA 0.877 5.227 4.350 0.000 0.000 0.311 457 T C -1.241 173.440 174.700 -0.031 0.000 1.307 457 T CA -0.450 61.636 62.100 -0.023 0.000 1.019 457 T CB 1.814 70.671 68.868 -0.019 0.000 1.264 457 T HN 0.483 nan 8.240 nan 0.000 0.497 458 A N 0.834 123.622 122.820 -0.052 0.000 2.594 458 A HA 0.829 5.149 4.320 0.000 0.000 0.291 458 A C -0.468 177.072 177.584 -0.074 0.000 1.105 458 A CA -0.958 51.046 52.037 -0.055 0.000 0.694 458 A CB 1.534 20.500 19.000 -0.056 0.000 1.291 458 A HN 0.936 nan 8.150 nan 0.000 0.410 459 T N 1.575 116.098 114.554 -0.052 0.000 2.767 459 T HA 0.551 4.901 4.350 0.000 0.000 0.284 459 T C -0.533 174.137 174.700 -0.050 0.000 0.973 459 T CA -0.068 62.003 62.100 -0.049 0.000 0.996 459 T CB 0.371 69.228 68.868 -0.018 0.000 0.927 459 T HN 0.367 nan 8.240 nan 0.000 0.456 460 L N 3.391 124.564 121.223 -0.083 0.000 2.360 460 L HA 0.582 4.922 4.340 0.000 0.000 0.271 460 L C 0.573 177.469 176.870 0.044 0.000 1.057 460 L CA -0.296 54.514 54.840 -0.050 0.000 0.803 460 L CB 0.952 42.874 42.059 -0.228 0.000 1.207 460 L HN 0.459 nan 8.230 nan 0.000 0.445 461 R N 0.449 121.027 120.500 0.130 0.000 2.513 461 R HA 0.713 5.053 4.340 0.000 0.000 0.301 461 R C -0.719 175.741 176.300 0.265 0.000 0.968 461 R CA -0.463 55.733 56.100 0.160 0.000 0.872 461 R CB 2.110 32.490 30.300 0.134 0.000 1.177 461 R HN 0.685 nan 8.270 nan 0.000 0.444 462 T N 1.442 116.152 114.554 0.259 0.000 2.681 462 T HA 0.358 4.708 4.350 0.000 0.000 0.296 462 T C -1.699 173.076 174.700 0.126 0.000 1.157 462 T CA -0.696 61.609 62.100 0.342 0.000 1.025 462 T CB 1.137 70.278 68.868 0.455 0.000 1.441 462 T HN 0.314 nan 8.240 nan 0.000 0.504 463 L N 2.443 123.581 121.223 -0.142 0.000 2.313 463 L HA 0.685 5.025 4.340 0.000 0.000 0.282 463 L C 0.591 177.286 176.870 -0.293 0.000 1.092 463 L CA 0.212 54.701 54.840 -0.583 0.000 0.831 463 L CB 0.151 41.313 42.059 -1.494 0.000 1.159 463 L HN 0.693 nan 8.230 nan 0.000 0.442 464 G N 6.570 115.219 108.800 -0.252 0.000 2.353 464 G HA2 0.524 4.484 3.960 0.000 0.000 0.284 464 G HA3 0.524 4.484 3.960 0.000 0.000 0.284 464 G C -0.585 174.252 174.900 -0.105 0.000 1.172 464 G CA -0.464 44.574 45.100 -0.104 0.000 0.854 464 G HN 0.663 nan 8.290 nan 0.000 0.485 465 I N 2.583 123.157 120.570 0.006 0.000 2.448 465 I HA 0.346 4.516 4.170 0.000 0.000 0.281 465 I C 0.095 176.283 176.117 0.119 0.000 1.027 465 I CA -0.559 60.774 61.300 0.055 0.000 1.111 465 I CB 1.955 40.025 38.000 0.117 0.000 1.236 465 I HN 0.583 nan 8.210 nan 0.000 0.452 466 T N 3.004 117.586 114.554 0.047 0.000 2.906 466 T HA 0.651 5.001 4.350 0.000 0.000 0.295 466 T C -0.250 174.396 174.700 -0.089 0.000 1.075 466 T CA -0.821 61.264 62.100 -0.025 0.000 1.005 466 T CB 1.811 70.646 68.868 -0.055 0.000 1.136 466 T HN 0.230 nan 8.240 nan 0.000 0.498 467 I N 2.082 122.500 120.570 -0.253 0.000 2.556 467 I HA 0.376 4.546 4.170 0.000 0.000 0.284 467 I C 1.361 177.383 176.117 -0.159 0.000 1.114 467 I CA -0.600 60.559 61.300 -0.235 0.000 1.418 467 I CB 0.463 38.251 38.000 -0.353 0.000 1.394 467 I HN 0.968 nan 8.210 nan 0.000 0.552 468 A N 7.250 129.983 122.820 -0.145 0.000 2.591 468 A HA -0.059 4.261 4.320 0.000 0.000 0.244 468 A C 1.753 179.260 177.584 -0.128 0.000 1.031 468 A CA 0.081 52.029 52.037 -0.148 0.000 0.767 468 A CB -0.004 18.892 19.000 -0.173 0.000 0.942 468 A HN 0.986 nan 8.150 nan 0.000 0.514 469 R N 1.955 122.385 120.500 -0.117 0.000 2.103 469 R HA -0.229 4.111 4.340 0.000 0.000 0.242 469 R C 0.927 177.159 176.300 -0.112 0.000 1.142 469 R CA 2.125 58.162 56.100 -0.106 0.000 0.960 469 R CB -0.389 29.858 30.300 -0.088 0.000 0.858 469 R HN 0.727 nan 8.270 nan 0.000 0.439 470 E N 0.524 120.651 120.200 -0.123 0.000 2.150 470 E HA -0.064 4.286 4.350 0.000 0.000 0.193 470 E C 1.902 178.408 176.600 -0.158 0.000 0.985 470 E CA 1.815 58.131 56.400 -0.141 0.000 0.814 470 E CB -0.089 29.523 29.700 -0.148 0.000 0.752 470 E HN 0.382 nan 8.360 nan 0.000 0.466 471 T N 0.449 114.932 114.554 -0.117 0.000 2.812 471 T HA -0.114 4.236 4.350 0.000 0.000 0.264 471 T C 1.763 176.422 174.700 -0.068 0.000 1.042 471 T CA 1.203 63.263 62.100 -0.066 0.000 1.140 471 T CB -0.081 68.782 68.868 -0.008 0.000 0.870 471 T HN 0.082 nan 8.240 nan 0.000 0.445 472 K N 1.046 121.393 120.400 -0.090 0.000 2.057 472 K HA -0.025 4.295 4.320 0.000 0.000 0.207 472 K C 2.467 179.017 176.600 -0.084 0.000 1.049 472 K CA 1.199 57.436 56.287 -0.083 0.000 0.931 472 K CB -0.288 32.147 32.500 -0.110 0.000 0.714 472 K HN 0.259 nan 8.250 nan 0.000 0.440 473 A N 1.072 123.824 122.820 -0.113 0.000 1.877 473 A HA -0.108 4.212 4.320 0.000 0.000 0.216 473 A C 2.342 179.824 177.584 -0.171 0.000 1.186 473 A CA 1.884 53.849 52.037 -0.120 0.000 0.620 473 A CB -0.891 18.035 19.000 -0.124 0.000 0.822 473 A HN 0.480 nan 8.150 nan 0.000 0.443 474 A N -0.397 122.249 122.820 -0.289 0.000 1.940 474 A HA -0.060 4.260 4.320 0.000 0.000 0.219 474 A C 2.150 179.497 177.584 -0.396 0.000 1.176 474 A CA 1.515 53.208 52.037 -0.573 0.000 0.631 474 A CB -0.589 17.734 19.000 -1.128 0.000 0.814 474 A HN 0.483 nan 8.150 nan 0.000 0.446 475 L N -1.005 120.174 121.223 -0.074 0.000 2.141 475 L HA -0.091 4.249 4.340 0.000 0.000 0.209 475 L C 1.801 178.730 176.870 0.098 0.000 1.094 475 L CA 0.892 55.842 54.840 0.183 0.000 0.763 475 L CB -0.247 41.905 42.059 0.155 0.000 0.908 475 L HN 0.364 nan 8.230 nan 0.000 0.437 476 L N -1.435 119.797 121.223 0.016 0.000 2.628 476 L HA 0.181 4.521 4.340 0.000 0.000 0.229 476 L C 2.356 179.223 176.870 -0.005 0.000 1.137 476 L CA -0.095 54.756 54.840 0.019 0.000 0.909 476 L CB -0.375 41.687 42.059 0.005 0.000 1.137 476 L HN 0.098 nan 8.230 nan 0.000 0.470 477 A N 1.050 123.844 122.820 -0.044 0.000 1.834 477 A HA -0.148 4.172 4.320 0.000 0.000 0.216 477 A C 1.424 178.997 177.584 -0.019 0.000 1.203 477 A CA 1.510 53.512 52.037 -0.059 0.000 0.621 477 A CB -0.321 18.606 19.000 -0.121 0.000 0.841 477 A HN 0.445 nan 8.150 nan 0.000 0.446 478 N N 0.456 119.159 118.700 0.006 0.000 2.671 478 N HA 0.259 4.999 4.740 0.000 0.000 0.303 478 N C -0.097 175.439 175.510 0.044 0.000 1.351 478 N CA 0.408 53.471 53.050 0.021 0.000 0.991 478 N CB 0.625 39.126 38.487 0.022 0.000 1.307 478 N HN 0.416 nan 8.380 nan 0.000 0.512 479 G N -0.311 108.519 108.800 0.049 0.000 2.371 479 G HA2 0.204 4.164 3.960 0.000 0.000 0.326 479 G HA3 0.204 4.164 3.960 0.000 0.000 0.326 479 G C -0.261 174.673 174.900 0.057 0.000 1.127 479 G CA -0.260 44.881 45.100 0.069 0.000 0.885 479 G HN 0.087 nan 8.290 nan 0.000 0.477 480 S N 0.217 115.956 115.700 0.064 0.000 2.528 480 S HA 0.359 4.829 4.470 0.000 0.000 0.277 480 S C 0.146 174.779 174.600 0.054 0.000 1.297 480 S CA -0.510 57.721 58.200 0.051 0.000 1.052 480 S CB 0.507 63.738 63.200 0.051 0.000 0.917 480 S HN 0.425 nan 8.310 nan 0.000 0.492 481 V N 5.613 125.551 119.914 0.041 0.000 2.370 481 V HA 0.453 4.573 4.120 0.000 0.000 0.283 481 V C 0.025 176.137 176.094 0.031 0.000 1.023 481 V CA -0.557 61.766 62.300 0.039 0.000 0.857 481 V CB 1.565 33.407 31.823 0.031 0.000 0.985 481 V HN 0.946 nan 8.190 nan 0.000 0.443 482 T N 4.555 119.128 114.554 0.032 0.000 2.864 482 T HA 0.680 5.030 4.350 0.000 0.000 0.299 482 T C 0.078 174.785 174.700 0.011 0.000 1.011 482 T CA -0.232 61.882 62.100 0.023 0.000 0.975 482 T CB 1.503 70.389 68.868 0.030 0.000 0.962 482 T HN 0.880 nan 8.240 nan 0.000 0.448 483 A N 3.233 126.050 122.820 -0.004 0.000 2.279 483 A HA 0.788 5.108 4.320 0.000 0.000 0.303 483 A C -0.121 177.422 177.584 -0.069 0.000 1.108 483 A CA -0.673 51.349 52.037 -0.025 0.000 0.830 483 A CB 0.611 19.606 19.000 -0.008 0.000 1.106 483 A HN 0.648 nan 8.150 nan 0.000 0.493 484 E N 0.911 121.047 120.200 -0.107 0.000 2.238 484 E HA 0.271 4.621 4.350 0.000 0.000 0.267 484 E C -0.904 175.674 176.600 -0.036 0.000 0.887 484 E CA -0.533 55.784 56.400 -0.139 0.000 0.769 484 E CB 1.647 31.121 29.700 -0.376 0.000 1.187 484 E HN 0.715 nan 8.360 nan 0.000 0.416 485 E N 1.666 121.848 120.200 -0.030 0.000 2.413 485 E HA 0.018 4.368 4.350 0.000 0.000 0.263 485 E C -0.487 176.103 176.600 -0.016 0.000 1.015 485 E CA -0.129 56.257 56.400 -0.023 0.000 0.916 485 E CB 0.563 30.239 29.700 -0.040 0.000 0.947 485 E HN 0.240 nan 8.360 nan 0.000 0.440 486 D N 2.319 122.721 120.400 0.004 0.000 2.548 486 D HA -0.035 4.605 4.640 0.000 0.000 0.231 486 D C 0.247 176.526 176.300 -0.035 0.000 1.142 486 D CA 1.001 55.016 54.000 0.024 0.000 0.866 486 D CB 0.548 41.357 40.800 0.014 0.000 1.190 486 D HN 0.321 nan 8.370 nan 0.000 0.469 487 R N 0.025 120.512 120.500 -0.021 0.000 2.774 487 R HA 0.517 4.857 4.340 0.000 0.000 0.272 487 R C -1.449 174.842 176.300 -0.016 0.000 1.000 487 R CA -0.598 55.434 56.100 -0.113 0.000 0.906 487 R CB 1.719 31.761 30.300 -0.431 0.000 1.227 487 R HN 0.344 nan 8.270 nan 0.000 0.468 488 T N 3.480 117.991 114.554 -0.072 0.000 2.886 488 T HA 0.508 4.858 4.350 0.000 0.000 0.292 488 T C -1.017 173.622 174.700 -0.103 0.000 1.012 488 T CA -0.594 61.447 62.100 -0.097 0.000 0.982 488 T CB 1.088 69.894 68.868 -0.105 0.000 1.018 488 T HN 0.296 nan 8.240 nan 0.000 0.451 489 L N 2.777 123.900 121.223 -0.167 0.000 2.386 489 L HA 0.513 4.853 4.340 0.000 0.000 0.271 489 L C 0.572 177.269 176.870 -0.289 0.000 0.993 489 L CA -0.719 54.021 54.840 -0.166 0.000 0.819 489 L CB 2.343 44.345 42.059 -0.095 0.000 1.294 489 L HN 0.692 nan 8.230 nan 0.000 0.414 490 Q N 0.045 119.819 119.800 -0.043 0.000 2.586 490 Q HA 0.110 4.450 4.340 0.000 0.000 0.243 490 Q C 0.377 176.514 176.000 0.227 0.000 0.846 490 Q CA 0.168 56.010 55.803 0.064 0.000 0.959 490 Q CB 1.016 29.766 28.738 0.019 0.000 1.227 490 Q HN 0.803 nan 8.270 nan 0.000 0.611 491 T N -0.685 113.956 114.554 0.145 0.000 2.913 491 T HA 0.654 5.004 4.350 0.000 0.000 0.287 491 T C 0.280 175.042 174.700 0.104 0.000 1.008 491 T CA -0.487 61.668 62.100 0.091 0.000 1.067 491 T CB 1.447 70.341 68.868 0.043 0.000 0.996 491 T HN 0.241 nan 8.240 nan 0.000 0.513 492 A N 1.622 124.428 122.820 -0.022 0.000 2.587 492 A HA 0.518 4.838 4.320 0.000 0.000 0.235 492 A C 0.672 178.265 177.584 0.016 0.000 1.044 492 A CA 0.112 52.099 52.037 -0.083 0.000 0.754 492 A CB -1.153 17.795 19.000 -0.086 0.000 0.968 492 A HN 1.919 nan 8.150 nan 0.000 0.509 493 A N 1.580 124.422 122.820 0.037 0.000 2.599 493 A HA 0.586 4.906 4.320 0.000 0.000 0.294 493 A C -1.202 176.483 177.584 0.168 0.000 1.055 493 A CA -0.330 51.766 52.037 0.099 0.000 0.683 493 A CB 1.058 20.117 19.000 0.099 0.000 1.278 493 A HN 1.559 nan 8.150 nan 0.000 0.412 494 V N 1.782 121.809 119.914 0.189 0.000 2.398 494 V HA 0.451 4.571 4.120 0.000 0.000 0.282 494 V C -0.673 175.550 176.094 0.214 0.000 1.014 494 V CA -0.487 61.962 62.300 0.249 0.000 0.838 494 V CB 1.254 33.211 31.823 0.224 0.000 1.018 494 V HN 0.748 nan 8.190 nan 0.000 0.432 495 V N 7.619 127.699 119.914 0.277 0.000 2.328 495 V HA 0.405 4.525 4.120 0.000 0.000 0.278 495 V C -1.952 174.383 176.094 0.401 0.000 1.021 495 V CA -1.889 60.582 62.300 0.285 0.000 0.838 495 V CB 1.880 33.839 31.823 0.226 0.000 0.999 495 V HN 0.636 nan 8.190 nan 0.000 0.447 496 P HA 0.123 nan 4.420 nan 0.000 0.271 496 P C -0.292 177.254 177.300 0.411 0.000 1.218 496 P CA -0.238 63.016 63.100 0.255 0.000 0.780 496 P CB 0.675 32.463 31.700 0.146 0.000 0.901 497 F N 1.171 121.153 119.950 0.053 0.000 2.535 497 F HA 0.085 4.612 4.527 0.000 0.000 0.332 497 F C 2.081 177.920 175.800 0.066 0.000 1.208 497 F CA -0.235 57.796 58.000 0.051 0.000 1.330 497 F CB -0.770 38.173 39.000 -0.095 0.000 1.167 497 F HN 0.429 nan 8.300 nan 0.000 0.597 498 A N 1.025 123.957 122.820 0.186 0.000 2.067 498 A HA -0.097 4.223 4.320 0.000 0.000 0.219 498 A C 0.610 178.253 177.584 0.098 0.000 1.158 498 A CA 1.158 53.259 52.037 0.106 0.000 0.661 498 A CB -0.385 18.643 19.000 0.048 0.000 0.801 498 A HN 0.685 nan 8.150 nan 0.000 0.452 499 Q N -0.300 119.576 119.800 0.127 0.000 2.331 499 Q HA 0.412 4.752 4.340 0.000 0.000 0.249 499 Q C -1.599 174.458 176.000 0.095 0.000 0.913 499 Q CA -0.292 55.562 55.803 0.086 0.000 0.874 499 Q CB 1.417 30.187 28.738 0.053 0.000 1.384 499 Q HN 0.273 nan 8.270 nan 0.000 0.427 500 S N 3.796 119.513 115.700 0.028 0.000 2.654 500 S HA 0.652 5.122 4.470 0.000 0.000 0.283 500 S C -2.334 172.208 174.600 -0.097 0.000 1.180 500 S CA -0.920 57.234 58.200 -0.077 0.000 1.021 500 S CB 1.187 64.305 63.200 -0.136 0.000 1.018 500 S HN 0.573 nan 8.310 nan 0.000 0.532 501 P HA 0.158 nan 4.420 nan 0.000 0.272 501 P C -0.128 177.139 177.300 -0.055 0.000 1.240 501 P CA -0.309 62.718 63.100 -0.121 0.000 0.791 501 P CB 0.566 32.129 31.700 -0.228 0.000 0.978 502 S N -1.477 114.233 115.700 0.015 0.000 2.575 502 S HA 0.255 4.725 4.470 0.000 0.000 0.237 502 S C 0.528 175.178 174.600 0.084 0.000 0.975 502 S CA -0.279 57.944 58.200 0.038 0.000 0.960 502 S CB -0.668 62.557 63.200 0.041 0.000 0.822 502 S HN 0.657 nan 8.310 nan 0.000 0.472 503 S N 0.563 116.340 115.700 0.127 0.000 2.651 503 S HA 0.547 5.017 4.470 0.000 0.000 0.279 503 S C -0.774 173.957 174.600 0.218 0.000 1.148 503 S CA -1.054 57.270 58.200 0.207 0.000 0.837 503 S CB 1.168 64.571 63.200 0.340 0.000 1.138 503 S HN 0.157 nan 8.310 nan 0.000 0.478 504 K N 0.498 120.942 120.400 0.072 0.000 2.811 504 K HA 0.317 4.637 4.320 0.000 0.000 0.217 504 K C -1.430 174.878 176.600 -0.486 0.000 1.115 504 K CA 0.075 56.299 56.287 -0.106 0.000 1.179 504 K CB -0.381 31.967 32.500 -0.253 0.000 0.994 504 K HN 0.479 nan 8.250 nan 0.000 0.464 505 F N 1.801 121.886 119.950 0.226 0.000 2.646 505 F HA 0.354 4.881 4.527 -0.000 0.000 0.364 505 F C -0.455 175.462 175.800 0.194 0.000 1.137 505 F CA -1.289 56.766 58.000 0.091 0.000 1.085 505 F CB 0.723 39.778 39.000 0.091 0.000 1.331 505 F HN -0.007 nan 8.300 nan 0.000 0.472 506 F N 0.052 120.093 119.950 0.151 0.000 2.773 506 F HA 0.838 5.365 4.527 -0.000 0.000 0.314 506 F C -2.152 173.695 175.800 0.078 0.000 1.160 506 F CA -1.603 56.460 58.000 0.105 0.000 0.920 506 F CB 1.027 40.060 39.000 0.055 0.000 1.323 506 F HN -0.103 nan 8.300 nan 0.000 0.457 507 V N 2.626 122.708 119.914 0.280 0.000 2.409 507 V HA 0.567 4.688 4.120 0.000 0.000 0.291 507 V C -1.107 175.139 176.094 0.254 0.000 1.020 507 V CA -0.563 61.842 62.300 0.174 0.000 0.848 507 V CB 1.419 33.312 31.823 0.117 0.000 0.990 507 V HN 0.795 nan 8.190 nan 0.000 0.430 508 L N 6.204 127.560 121.223 0.221 0.000 2.296 508 L HA 0.845 5.185 4.340 0.000 0.000 0.286 508 L C 0.244 177.150 176.870 0.061 0.000 1.023 508 L CA 0.432 55.349 54.840 0.128 0.000 0.812 508 L CB 1.792 43.893 42.059 0.071 0.000 1.223 508 L HN 0.836 nan 8.230 nan 0.000 0.421 509 T N 2.512 117.093 114.554 0.045 0.000 2.887 509 T HA 0.996 5.346 4.350 0.000 0.000 0.288 509 T C -0.479 174.272 174.700 0.084 0.000 1.021 509 T CA -0.291 61.852 62.100 0.071 0.000 1.000 509 T CB 1.828 70.739 68.868 0.072 0.000 1.034 509 T HN 1.155 nan 8.240 nan 0.000 0.467 510 A N 1.732 124.647 122.820 0.159 0.000 2.590 510 A HA 0.641 4.961 4.320 0.000 0.000 0.294 510 A C -1.619 176.120 177.584 0.260 0.000 1.046 510 A CA -1.011 51.186 52.037 0.267 0.000 0.684 510 A CB 1.339 20.631 19.000 0.487 0.000 1.279 510 A HN 0.787 nan 8.150 nan 0.000 0.415 511 Q N 0.293 120.231 119.800 0.230 0.000 2.333 511 Q HA 0.641 4.981 4.340 0.000 0.000 0.267 511 Q C -1.680 174.346 176.000 0.044 0.000 1.012 511 Q CA -0.708 55.163 55.803 0.113 0.000 0.824 511 Q CB 2.236 31.009 28.738 0.058 0.000 1.290 511 Q HN 0.547 nan 8.270 nan 0.000 0.449 512 L N 2.581 123.728 121.223 -0.126 0.000 2.325 512 L HA 0.359 4.699 4.340 0.000 0.000 0.281 512 L C -0.479 175.986 176.870 -0.674 0.000 1.004 512 L CA -0.082 54.456 54.840 -0.503 0.000 0.823 512 L CB 1.706 43.400 42.059 -0.607 0.000 1.236 512 L HN 0.511 nan 8.230 nan 0.000 0.415 513 E N 3.446 123.243 120.200 -0.672 0.000 2.151 513 E HA 0.536 4.886 4.350 0.000 0.000 0.275 513 E C -1.314 174.948 176.600 -0.562 0.000 0.936 513 E CA -0.460 55.655 56.400 -0.474 0.000 0.777 513 E CB 1.509 31.063 29.700 -0.244 0.000 1.108 513 E HN 0.201 nan 8.360 nan 0.000 0.401 514 F N 3.146 123.070 119.950 -0.044 0.000 2.492 514 F HA 0.397 4.924 4.527 0.000 0.000 0.327 514 F C -1.948 173.825 175.800 -0.044 0.000 1.079 514 F CA -2.624 55.372 58.000 -0.007 0.000 0.967 514 F CB 1.149 40.265 39.000 0.194 0.000 1.169 514 F HN 0.262 nan 8.300 nan 0.000 0.472 515 P HA 0.217 nan 4.420 nan 0.000 0.282 515 P C -0.075 177.198 177.300 -0.045 0.000 1.249 515 P CA -0.254 62.856 63.100 0.017 0.000 0.806 515 P CB 1.612 33.307 31.700 -0.008 0.000 0.984 516 A N 2.988 125.782 122.820 -0.043 0.000 2.084 516 A HA -0.189 4.131 4.320 0.000 0.000 0.221 516 A C 2.016 179.520 177.584 -0.133 0.000 1.161 516 A CA 2.185 54.178 52.037 -0.074 0.000 0.653 516 A CB -1.537 17.443 19.000 -0.032 0.000 0.802 516 A HN 0.673 nan 8.150 nan 0.000 0.457 517 S N -0.795 114.838 115.700 -0.113 0.000 2.555 517 S HA 0.294 4.764 4.470 0.000 0.000 0.230 517 S C 1.637 176.122 174.600 -0.190 0.000 0.978 517 S CA 0.813 58.942 58.200 -0.118 0.000 0.934 517 S CB -0.236 62.921 63.200 -0.071 0.000 0.766 517 S HN 0.797 nan 8.310 nan 0.000 0.533 518 A N 2.069 124.698 122.820 -0.319 0.000 2.030 518 A HA 0.229 4.549 4.320 0.000 0.000 0.215 518 A C 2.265 179.331 177.584 -0.863 0.000 1.164 518 A CA 0.204 51.932 52.037 -0.515 0.000 0.697 518 A CB -0.364 18.303 19.000 -0.555 0.000 0.827 518 A HN 0.469 nan 8.150 nan 0.000 0.457 519 R N 0.692 120.672 120.500 -0.867 0.000 2.119 519 R HA -0.168 4.172 4.340 0.000 0.000 0.246 519 R C 2.316 178.480 176.300 -0.227 0.000 1.146 519 R CA 1.941 57.678 56.100 -0.605 0.000 0.962 519 R CB -0.400 29.763 30.300 -0.227 0.000 0.863 519 R HN 0.683 nan 8.270 nan 0.000 0.442 520 S N 0.056 115.649 115.700 -0.178 0.000 2.527 520 S HA -0.012 4.458 4.470 0.000 0.000 0.222 520 S C 0.986 175.544 174.600 -0.070 0.000 0.985 520 S CA 0.037 58.188 58.200 -0.082 0.000 0.921 520 S CB 0.007 63.169 63.200 -0.063 0.000 0.772 520 S HN 0.265 nan 8.310 nan 0.000 0.529 521 S N 1.879 117.514 115.700 -0.109 0.000 2.632 521 S HA 0.465 4.935 4.470 0.000 0.000 0.267 521 S C -2.742 171.849 174.600 -0.016 0.000 1.276 521 S CA -1.214 56.948 58.200 -0.064 0.000 0.998 521 S CB 0.551 63.705 63.200 -0.076 0.000 0.953 521 S HN 0.067 nan 8.310 nan 0.000 0.547 522 P HA 0.284 nan 4.420 nan 0.000 0.244 522 P C -0.048 177.249 177.300 -0.004 0.000 1.632 522 P CA -0.415 62.683 63.100 -0.004 0.000 0.944 522 P CB -0.176 31.512 31.700 -0.020 0.000 1.569 523 L N 0.466 121.707 121.223 0.030 0.000 2.485 523 L HA 0.075 4.415 4.340 0.000 0.000 0.275 523 L C -0.282 176.623 176.870 0.058 0.000 1.207 523 L CA 0.679 55.548 54.840 0.049 0.000 0.855 523 L CB 0.283 42.428 42.059 0.144 0.000 1.114 523 L HN 0.081 nan 8.230 nan 0.000 0.485 524 Q N 4.054 123.854 119.800 -0.000 0.000 2.269 524 Q HA 0.432 4.772 4.340 0.000 0.000 0.263 524 Q C -1.542 174.489 176.000 0.052 0.000 0.983 524 Q CA -0.549 55.281 55.803 0.044 0.000 0.777 524 Q CB 2.177 30.828 28.738 -0.145 0.000 1.273 524 Q HN 0.676 nan 8.270 nan 0.000 0.440 525 S N 0.501 116.405 115.700 0.340 0.000 2.541 525 S HA 0.954 5.424 4.470 0.000 0.000 0.280 525 S C -0.300 174.631 174.600 0.551 0.000 1.112 525 S CA -0.271 58.167 58.200 0.396 0.000 0.925 525 S CB 1.979 65.466 63.200 0.480 0.000 1.067 525 S HN 0.861 nan 8.310 nan 0.000 0.479 526 G N 1.273 110.390 108.800 0.529 0.000 2.623 526 G HA2 0.572 4.532 3.960 0.000 0.000 0.085 526 G HA3 0.572 4.532 3.960 0.000 0.000 0.085 526 G C -2.036 172.742 174.900 -0.204 0.000 1.116 526 G CA -0.423 44.851 45.100 0.291 0.000 1.200 526 G HN 0.506 nan 8.290 nan 0.000 0.556 527 F N 0.156 120.346 119.950 0.400 0.000 2.685 527 F HA 0.689 5.215 4.527 -0.000 0.000 0.315 527 F C -0.421 175.436 175.800 0.095 0.000 1.126 527 F CA -0.751 57.358 58.000 0.183 0.000 0.950 527 F CB 2.376 41.387 39.000 0.019 0.000 1.360 527 F HN 0.277 nan 8.300 nan 0.000 0.469 528 E N 2.143 122.463 120.200 0.200 0.000 2.176 528 E HA 0.648 4.998 4.350 0.000 0.000 0.267 528 E C -1.111 175.486 176.600 -0.006 0.000 0.893 528 E CA -0.608 55.829 56.400 0.062 0.000 0.761 528 E CB 2.408 32.121 29.700 0.023 0.000 1.133 528 E HN 0.554 nan 8.360 nan 0.000 0.409 529 I N -0.722 119.855 120.570 0.010 0.000 3.206 529 I HA 0.441 4.611 4.170 0.000 0.000 0.313 529 I C 0.040 176.175 176.117 0.030 0.000 1.103 529 I CA -1.201 60.096 61.300 -0.005 0.000 0.985 529 I CB 1.244 39.304 38.000 0.101 0.000 1.240 529 I HN 0.568 nan 8.210 nan 0.000 0.464 530 L N 0.498 121.758 121.223 0.062 0.000 3.742 530 L HA -0.235 4.105 4.340 0.000 0.000 0.431 530 L C 0.168 177.069 176.870 0.052 0.000 1.220 530 L CA 0.536 55.424 54.840 0.079 0.000 0.863 530 L CB -1.659 40.455 42.059 0.092 0.000 1.751 530 L HN 0.870 nan 8.230 nan 0.000 0.922 531 A N -0.119 122.708 122.820 0.012 0.000 2.325 531 A HA 0.913 5.233 4.320 0.000 0.000 0.333 531 A C 0.302 177.893 177.584 0.012 0.000 1.155 531 A CA 0.435 52.480 52.037 0.013 0.000 0.814 531 A CB 1.710 20.705 19.000 -0.009 0.000 1.206 531 A HN 0.470 nan 8.150 nan 0.000 0.482 532 S N -0.092 115.619 115.700 0.019 0.000 2.843 532 S HA 0.398 4.868 4.470 0.000 0.000 0.301 532 S C 0.683 175.275 174.600 -0.013 0.000 1.206 532 S CA 0.201 58.399 58.200 -0.004 0.000 0.875 532 S CB 0.654 63.848 63.200 -0.011 0.000 1.248 532 S HN 0.730 nan 8.310 nan 0.000 0.555 533 E N -0.073 120.100 120.200 -0.045 0.000 2.047 533 E HA 0.016 4.366 4.350 0.000 0.000 0.191 533 E C 1.255 177.839 176.600 -0.026 0.000 0.987 533 E CA 1.174 57.551 56.400 -0.038 0.000 0.799 533 E CB -0.288 29.377 29.700 -0.058 0.000 0.752 533 E HN 0.616 nan 8.360 nan 0.000 0.449 534 L N 0.429 121.624 121.223 -0.047 0.000 2.592 534 L HA 0.229 4.569 4.340 0.000 0.000 0.227 534 L C 0.120 177.044 176.870 0.089 0.000 1.127 534 L CA 0.204 55.053 54.840 0.015 0.000 0.884 534 L CB 0.028 42.092 42.059 0.009 0.000 1.065 534 L HN 0.017 nan 8.230 nan 0.000 0.457 535 E N 0.566 120.816 120.200 0.083 0.000 2.392 535 E HA 0.625 4.975 4.350 0.000 0.000 0.279 535 E C -0.996 175.643 176.600 0.064 0.000 0.964 535 E CA -0.882 55.582 56.400 0.106 0.000 0.777 535 E CB 2.745 32.561 29.700 0.193 0.000 1.249 535 E HN 0.087 nan 8.360 nan 0.000 0.449 536 R N -0.472 120.057 120.500 0.049 0.000 2.739 536 R HA 0.484 4.824 4.340 0.000 0.000 0.266 536 R C -1.787 174.521 176.300 0.013 0.000 1.044 536 R CA -0.771 55.343 56.100 0.025 0.000 0.885 536 R CB 1.394 31.697 30.300 0.005 0.000 1.260 536 R HN 0.368 nan 8.270 nan 0.000 0.477 537 T N 1.228 115.788 114.554 0.010 0.000 2.840 537 T HA 0.675 5.025 4.350 0.000 0.000 0.287 537 T C -0.791 173.915 174.700 0.010 0.000 0.991 537 T CA -0.451 61.650 62.100 0.003 0.000 0.964 537 T CB 1.573 70.445 68.868 0.007 0.000 0.954 537 T HN 0.713 nan 8.240 nan 0.000 0.438 538 A N 3.897 126.717 122.820 0.001 0.000 2.301 538 A HA 0.859 5.179 4.320 0.000 0.000 0.312 538 A C -0.411 177.215 177.584 0.069 0.000 1.182 538 A CA -0.673 51.382 52.037 0.031 0.000 0.826 538 A CB 0.263 19.254 19.000 -0.015 0.000 1.134 538 A HN 0.873 nan 8.150 nan 0.000 0.501 539 I N 3.297 123.966 120.570 0.166 0.000 2.468 539 I HA 0.445 4.615 4.170 0.000 0.000 0.284 539 I C -1.179 175.119 176.117 0.303 0.000 1.038 539 I CA -0.470 60.909 61.300 0.132 0.000 1.083 539 I CB 1.241 39.355 38.000 0.191 0.000 1.223 539 I HN 0.808 nan 8.210 nan 0.000 0.443 540 Y N 4.336 124.742 120.300 0.176 0.000 2.625 540 Y HA 0.594 5.144 4.550 -0.000 0.000 0.338 540 Y C -1.581 174.418 175.900 0.165 0.000 1.123 540 Y CA -1.555 56.697 58.100 0.253 0.000 1.046 540 Y CB 0.959 39.642 38.460 0.372 0.000 1.299 540 Y HN 0.405 nan 8.280 nan 0.000 0.464 541 Y N 2.142 122.613 120.300 0.284 0.000 2.320 541 Y HA 0.510 5.060 4.550 0.000 0.000 0.324 541 Y C -0.473 175.437 175.900 0.017 0.000 1.190 541 Y CA -0.524 57.578 58.100 0.004 0.000 1.215 541 Y CB 1.574 39.985 38.460 -0.082 0.000 1.221 541 Y HN 0.803 nan 8.280 nan 0.000 0.486 542 Q N 5.012 124.255 119.800 -0.929 0.000 2.275 542 Q HA 0.257 4.597 4.340 0.000 0.000 0.266 542 Q C -0.882 174.642 176.000 -0.792 0.000 1.002 542 Q CA -0.486 55.009 55.803 -0.514 0.000 0.761 542 Q CB 0.791 29.415 28.738 -0.190 0.000 1.255 542 Q HN 0.873 nan 8.270 nan 0.000 0.446 543 F N 0.920 120.657 119.950 -0.354 0.000 2.259 543 F HA -0.172 4.355 4.527 -0.000 0.000 0.298 543 F C 2.513 178.216 175.800 -0.161 0.000 1.088 543 F CA 1.483 59.360 58.000 -0.206 0.000 1.358 543 F CB 0.026 38.961 39.000 -0.109 0.000 1.040 543 F HN 0.700 nan 8.300 nan 0.000 0.505 544 S N 1.498 117.213 115.700 0.024 0.000 2.378 544 S HA -0.306 4.164 4.470 0.000 0.000 0.229 544 S C 1.310 175.882 174.600 -0.047 0.000 1.052 544 S CA 1.959 60.155 58.200 -0.006 0.000 1.084 544 S CB -0.998 62.188 63.200 -0.023 0.000 0.950 544 S HN 0.567 nan 8.310 nan 0.000 0.440 545 N N 0.464 119.086 118.700 -0.129 0.000 2.365 545 N HA 0.167 4.907 4.740 0.000 0.000 0.257 545 N C -0.996 174.357 175.510 -0.261 0.000 1.287 545 N CA -0.018 52.932 53.050 -0.165 0.000 0.882 545 N CB -0.787 37.596 38.487 -0.173 0.000 1.250 545 N HN 0.602 nan 8.380 nan 0.000 0.507 546 E N 0.094 120.123 120.200 -0.285 0.000 2.272 546 E HA -0.197 4.153 4.350 0.000 0.000 0.160 546 E C -1.015 175.276 176.600 -0.516 0.000 1.627 546 E CA 0.638 56.808 56.400 -0.385 0.000 0.641 546 E CB -1.432 28.231 29.700 -0.062 0.000 1.060 546 E HN 0.438 nan 8.360 nan 0.000 0.324 547 S N 0.849 116.094 115.700 -0.758 0.000 2.546 547 S HA 0.509 4.979 4.470 0.000 0.000 0.274 547 S C -0.310 173.901 174.600 -0.648 0.000 1.121 547 S CA -0.846 56.977 58.200 -0.629 0.000 0.887 547 S CB 1.557 64.467 63.200 -0.483 0.000 1.094 547 S HN 0.272 nan 8.310 nan 0.000 0.474 548 L N 2.582 123.516 121.223 -0.482 0.000 2.276 548 L HA 0.597 4.937 4.340 0.000 0.000 0.286 548 L C -0.967 175.726 176.870 -0.295 0.000 1.061 548 L CA -0.508 54.144 54.840 -0.313 0.000 0.807 548 L CB 1.144 43.030 42.059 -0.288 0.000 1.177 548 L HN 0.355 nan 8.230 nan 0.000 0.429 549 V N 4.370 124.028 119.914 -0.426 0.000 2.604 549 V HA 0.388 4.508 4.120 0.000 0.000 0.305 549 V C -0.241 175.571 176.094 -0.470 0.000 1.043 549 V CA -0.678 61.319 62.300 -0.505 0.000 0.888 549 V CB 2.335 33.685 31.823 -0.787 0.000 0.995 549 V HN 0.371 nan 8.190 nan 0.000 0.429 550 V N 3.296 123.058 119.914 -0.252 0.000 2.284 550 V HA 0.307 4.427 4.120 0.000 0.000 0.274 550 V C -0.198 175.820 176.094 -0.126 0.000 1.023 550 V CA -0.483 61.722 62.300 -0.157 0.000 0.808 550 V CB 1.315 33.088 31.823 -0.083 0.000 1.035 550 V HN 0.910 nan 8.190 nan 0.000 0.445 551 D N 4.686 125.026 120.400 -0.100 0.000 2.336 551 D HA 0.181 4.821 4.640 0.000 0.000 0.249 551 D C 0.808 177.082 176.300 -0.042 0.000 1.213 551 D CA -0.196 53.788 54.000 -0.028 0.000 0.870 551 D CB 0.843 41.688 40.800 0.075 0.000 1.076 551 D HN 0.451 nan 8.370 nan 0.000 0.483 552 R N 1.846 122.303 120.500 -0.071 0.000 2.507 552 R HA 0.034 4.374 4.340 0.000 0.000 0.298 552 R C 1.903 178.157 176.300 -0.077 0.000 0.999 552 R CA -0.015 56.029 56.100 -0.094 0.000 1.082 552 R CB 0.321 30.518 30.300 -0.171 0.000 1.246 552 R HN 0.392 nan 8.270 nan 0.000 0.553 553 S N 0.456 116.129 115.700 -0.045 0.000 2.419 553 S HA -0.187 4.283 4.470 0.000 0.000 0.233 553 S C 1.540 176.125 174.600 -0.024 0.000 1.016 553 S CA 0.990 59.172 58.200 -0.030 0.000 0.974 553 S CB 0.080 63.274 63.200 -0.010 0.000 0.786 553 S HN 0.361 nan 8.310 nan 0.000 0.492 554 Q N -0.170 119.619 119.800 -0.018 0.000 2.159 554 Q HA 0.236 4.576 4.340 0.000 0.000 0.217 554 Q C 1.014 177.021 176.000 0.012 0.000 0.818 554 Q CA 0.091 55.893 55.803 -0.001 0.000 1.008 554 Q CB 0.510 29.249 28.738 0.002 0.000 1.148 554 Q HN 0.523 nan 8.270 nan 0.000 0.491 555 T N 0.135 114.685 114.554 -0.008 0.000 2.684 555 T HA -0.106 4.244 4.350 0.000 0.000 0.267 555 T C 0.943 175.671 174.700 0.047 0.000 1.036 555 T CA 1.200 63.303 62.100 0.004 0.000 1.148 555 T CB 0.042 68.885 68.868 -0.042 0.000 0.863 555 T HN 0.047 nan 8.240 nan 0.000 0.436 556 S N -0.290 115.428 115.700 0.031 0.000 2.596 556 S HA 0.617 5.087 4.470 0.000 0.000 0.318 556 S C 1.020 175.662 174.600 0.069 0.000 1.097 556 S CA -0.402 57.848 58.200 0.083 0.000 1.080 556 S CB 1.171 64.395 63.200 0.039 0.000 0.991 556 S HN 0.319 nan 8.310 nan 0.000 0.471 557 A N 4.245 127.139 122.820 0.124 0.000 2.076 557 A HA 0.107 4.427 4.320 0.000 0.000 0.220 557 A C 1.994 179.523 177.584 -0.090 0.000 1.160 557 A CA 1.740 53.813 52.037 0.060 0.000 0.653 557 A CB -0.625 18.480 19.000 0.175 0.000 0.801 557 A HN 1.128 nan 8.150 nan 0.000 0.455 558 A N -0.938 121.814 122.820 -0.114 0.000 2.195 558 A HA 0.498 4.818 4.320 0.000 0.000 0.210 558 A C 2.237 179.751 177.584 -0.117 0.000 1.165 558 A CA 1.127 53.040 52.037 -0.207 0.000 0.806 558 A CB -0.542 18.324 19.000 -0.224 0.000 0.847 558 A HN 0.839 nan 8.150 nan 0.000 0.482 559 A N 1.190 123.970 122.820 -0.068 0.000 1.902 559 A HA -0.011 4.309 4.320 0.000 0.000 0.217 559 A C 0.191 177.732 177.584 -0.071 0.000 1.181 559 A CA 1.742 53.736 52.037 -0.072 0.000 0.623 559 A CB -1.576 17.383 19.000 -0.068 0.000 0.818 559 A HN 0.418 nan 8.150 nan 0.000 0.443 560 P HA -0.173 nan 4.420 nan 0.000 0.216 560 P C 1.502 178.762 177.300 -0.066 0.000 1.154 560 P CA 2.308 65.374 63.100 -0.057 0.000 0.865 560 P CB -0.236 31.432 31.700 -0.052 0.000 0.789 561 T N -6.278 108.223 114.554 -0.089 0.000 3.086 561 T HA 0.154 4.504 4.350 0.000 0.000 0.250 561 T C 0.393 175.036 174.700 -0.096 0.000 1.074 561 T CA -0.140 61.904 62.100 -0.093 0.000 0.988 561 T CB -0.797 68.003 68.868 -0.114 0.000 0.988 561 T HN -0.009 nan 8.240 nan 0.000 0.530 562 N N 2.561 121.203 118.700 -0.096 0.000 2.762 562 N HA 0.312 5.052 4.740 0.000 0.000 0.252 562 N C -2.235 173.231 175.510 -0.073 0.000 1.269 562 N CA -1.646 51.346 53.050 -0.096 0.000 0.799 562 N CB 1.953 40.368 38.487 -0.121 0.000 1.173 562 N HN 0.069 nan 8.380 nan 0.000 0.516 563 P HA -0.156 nan 4.420 nan 0.000 0.222 563 P C 1.314 178.605 177.300 -0.015 0.000 1.142 563 P CA 0.925 64.006 63.100 -0.031 0.000 0.788 563 P CB 0.288 31.976 31.700 -0.021 0.000 0.767 564 G N 0.097 108.889 108.800 -0.013 0.000 2.432 564 G HA2 -0.136 3.824 3.960 0.000 0.000 0.219 564 G HA3 -0.136 3.824 3.960 0.000 0.000 0.219 564 G C 0.638 175.593 174.900 0.092 0.000 1.135 564 G CA 0.187 45.321 45.100 0.057 0.000 0.767 564 G HN 0.208 nan 8.290 nan 0.000 0.550 565 L N 3.257 124.477 121.223 -0.006 0.000 2.401 565 L HA 0.205 4.545 4.340 0.000 0.000 0.283 565 L C 0.002 176.795 176.870 -0.128 0.000 1.151 565 L CA -1.024 53.767 54.840 -0.081 0.000 0.942 565 L CB 0.304 42.276 42.059 -0.146 0.000 1.283 565 L HN 0.246 nan 8.230 nan 0.000 0.442 566 D N 0.882 121.183 120.400 -0.166 0.000 2.488 566 D HA -0.028 4.612 4.640 0.000 0.000 0.238 566 D C 0.616 176.702 176.300 -0.357 0.000 1.138 566 D CA 0.155 54.017 54.000 -0.230 0.000 0.873 566 D CB 0.998 41.615 40.800 -0.304 0.000 1.183 566 D HN 0.467 nan 8.370 nan 0.000 0.458 567 S N 0.265 115.788 115.700 -0.294 0.000 2.819 567 S HA 0.156 4.626 4.470 0.000 0.000 0.249 567 S C 0.349 174.814 174.600 -0.225 0.000 1.030 567 S CA -0.963 57.084 58.200 -0.255 0.000 1.052 567 S CB -0.703 62.424 63.200 -0.122 0.000 1.017 567 S HN 0.439 nan 8.310 nan 0.000 0.576 568 F N 2.223 122.102 119.950 -0.119 0.000 2.450 568 F HA 0.653 5.180 4.527 -0.000 0.000 0.339 568 F C 0.323 176.064 175.800 -0.098 0.000 1.146 568 F CA -0.829 57.102 58.000 -0.116 0.000 1.267 568 F CB -0.758 38.142 39.000 -0.167 0.000 1.178 568 F HN -0.148 nan 8.300 nan 0.000 0.585 569 T N 2.873 117.535 114.554 0.182 0.000 2.916 569 T HA 0.122 4.472 4.350 0.000 0.000 0.303 569 T C -0.173 174.628 174.700 0.167 0.000 1.025 569 T CA -0.338 61.817 62.100 0.091 0.000 1.142 569 T CB 0.155 69.056 68.868 0.055 0.000 0.947 569 T HN 0.526 nan 8.240 nan 0.000 0.544 570 E N 1.832 122.067 120.200 0.058 0.000 2.195 570 E HA 0.587 4.937 4.350 0.000 0.000 0.271 570 E C -0.397 176.205 176.600 0.004 0.000 0.923 570 E CA -0.654 55.803 56.400 0.094 0.000 0.790 570 E CB 1.999 31.733 29.700 0.058 0.000 1.155 570 E HN 0.737 nan 8.360 nan 0.000 0.402 571 S N 0.205 115.913 115.700 0.013 0.000 2.565 571 S HA 0.814 5.284 4.470 0.000 0.000 0.269 571 S C -0.573 173.940 174.600 -0.145 0.000 1.153 571 S CA -0.779 57.364 58.200 -0.096 0.000 0.835 571 S CB 1.991 65.094 63.200 -0.161 0.000 1.122 571 S HN 0.564 nan 8.310 nan 0.000 0.462 572 G N 0.917 109.500 108.800 -0.362 0.000 2.706 572 G HA2 0.596 4.556 3.960 0.000 0.000 0.297 572 G HA3 0.596 4.556 3.960 0.000 0.000 0.297 572 G C -1.594 172.602 174.900 -1.174 0.000 1.403 572 G CA -0.928 43.486 45.100 -1.144 0.000 0.954 572 G HN 0.585 nan 8.290 nan 0.000 0.500 573 K N 0.596 119.870 120.400 -1.876 0.000 2.322 573 K HA 0.401 4.721 4.320 0.000 0.000 0.283 573 K C -1.026 175.456 176.600 -0.197 0.000 1.042 573 K CA -0.505 55.307 56.287 -0.792 0.000 0.958 573 K CB 1.963 34.070 32.500 -0.654 0.000 0.984 573 K HN 0.335 nan 8.250 nan 0.000 0.473 574 L N 2.793 123.939 121.223 -0.128 0.000 2.555 574 L HA 0.277 4.617 4.340 0.000 0.000 0.264 574 L C -0.686 176.247 176.870 0.105 0.000 0.972 574 L CA -0.373 54.478 54.840 0.019 0.000 0.876 574 L CB 1.424 43.254 42.059 -0.382 0.000 1.216 574 L HN 0.579 nan 8.230 nan 0.000 0.415 575 R N 5.017 125.611 120.500 0.158 0.000 2.265 575 R HA 0.595 4.935 4.340 0.000 0.000 0.314 575 R C -1.336 174.687 176.300 -0.463 0.000 1.053 575 R CA -0.474 55.565 56.100 -0.101 0.000 0.931 575 R CB 0.667 30.858 30.300 -0.182 0.000 1.024 575 R HN 0.759 nan 8.270 nan 0.000 0.457 576 L N 6.191 127.240 121.223 -0.290 0.000 2.255 576 L HA 0.339 4.679 4.340 0.000 0.000 0.289 576 L C -0.566 176.179 176.870 -0.208 0.000 1.046 576 L CA -0.591 54.107 54.840 -0.236 0.000 0.816 576 L CB 0.503 42.487 42.059 -0.125 0.000 1.197 576 L HN 0.560 nan 8.230 nan 0.000 0.427 577 F N 1.237 121.169 119.950 -0.030 0.000 2.382 577 F HA 0.154 4.681 4.527 0.000 0.000 0.331 577 F C 0.994 176.791 175.800 -0.006 0.000 1.121 577 F CA -0.485 57.487 58.000 -0.046 0.000 1.183 577 F CB 0.422 39.341 39.000 -0.135 0.000 1.207 577 F HN 0.408 nan 8.300 nan 0.000 0.555 578 D N 2.008 122.542 120.400 0.225 0.000 2.348 578 D HA 0.377 5.017 4.640 0.000 0.000 0.253 578 D C -0.139 176.220 176.300 0.098 0.000 1.161 578 D CA 0.304 54.379 54.000 0.126 0.000 0.876 578 D CB 1.260 42.118 40.800 0.098 0.000 1.160 578 D HN 0.330 nan 8.370 nan 0.000 0.459 579 V N -0.902 119.053 119.914 0.069 0.000 3.167 579 V HA 0.559 4.679 4.120 0.000 0.000 0.310 579 V C -0.839 175.270 176.094 0.025 0.000 1.207 579 V CA -1.026 61.297 62.300 0.039 0.000 1.059 579 V CB 2.405 34.253 31.823 0.041 0.000 1.079 579 V HN 0.203 nan 8.190 nan 0.000 0.446 580 I N 1.706 122.284 120.570 0.013 0.000 2.388 580 I HA 0.471 4.641 4.170 0.000 0.000 0.281 580 I C 0.802 176.923 176.117 0.007 0.000 1.046 580 I CA 0.056 61.361 61.300 0.009 0.000 1.187 580 I CB 0.502 38.505 38.000 0.004 0.000 1.351 580 I HN 1.111 nan 8.210 nan 0.000 0.472 581 E N 5.512 125.717 120.200 0.009 0.000 2.024 581 E HA 0.032 4.382 4.350 0.000 0.000 0.190 581 E C 0.160 176.762 176.600 0.004 0.000 0.974 581 E CA 1.002 57.406 56.400 0.007 0.000 0.810 581 E CB 0.437 30.141 29.700 0.007 0.000 0.775 581 E HN 0.497 nan 8.360 nan 0.000 0.453 582 N N -0.120 118.582 118.700 0.002 0.000 2.844 582 N HA 0.214 4.954 4.740 0.000 0.000 0.268 582 N C -0.410 175.100 175.510 0.000 0.000 1.574 582 N CA 0.503 53.553 53.050 0.001 0.000 0.838 582 N CB 1.237 39.723 38.487 -0.001 0.000 1.177 582 N HN 0.434 nan 8.380 nan 0.000 0.495 583 G N 0.683 109.484 108.800 0.001 0.000 2.189 583 G HA2 -0.313 3.647 3.960 0.000 0.000 0.267 583 G HA3 -0.313 3.647 3.960 0.000 0.000 0.267 583 G C 0.141 175.042 174.900 0.001 0.000 0.975 583 G CA 0.530 45.631 45.100 0.001 0.000 0.644 583 G HN 0.536 nan 8.290 nan 0.000 0.537 584 Q N -0.201 119.600 119.800 0.002 0.000 2.399 584 Q HA 0.619 4.959 4.340 0.000 0.000 0.276 584 Q C -0.338 175.666 176.000 0.006 0.000 1.098 584 Q CA -0.806 54.998 55.803 0.003 0.000 0.827 584 Q CB 1.380 30.118 28.738 0.000 0.000 1.386 584 Q HN 0.381 nan 8.270 nan 0.000 0.443 585 E N 1.323 121.528 120.200 0.008 0.000 2.283 585 E HA 0.253 4.603 4.350 0.000 0.000 0.271 585 E C -1.419 175.190 176.600 0.015 0.000 1.031 585 E CA -0.152 56.256 56.400 0.014 0.000 0.868 585 E CB 0.982 30.691 29.700 0.015 0.000 1.094 585 E HN 0.580 nan 8.360 nan 0.000 0.401 586 Q N 0.433 120.248 119.800 0.024 0.000 2.647 586 Q HA 0.318 4.658 4.340 0.000 0.000 0.283 586 Q C -1.659 174.371 176.000 0.049 0.000 0.943 586 Q CA -0.964 54.856 55.803 0.028 0.000 0.813 586 Q CB 0.940 29.688 28.738 0.017 0.000 1.477 586 Q HN 0.304 nan 8.270 nan 0.000 0.393 587 V N 1.899 121.852 119.914 0.064 0.000 2.572 587 V HA 0.051 4.171 4.120 0.000 0.000 0.291 587 V C 0.511 176.658 176.094 0.090 0.000 1.039 587 V CA 0.104 62.466 62.300 0.103 0.000 1.055 587 V CB 0.911 32.835 31.823 0.167 0.000 0.969 587 V HN 0.834 nan 8.190 nan 0.000 0.482 588 E N 3.309 123.561 120.200 0.086 0.000 2.534 588 E HA -0.047 4.303 4.350 0.000 0.000 0.264 588 E C -0.156 176.463 176.600 0.031 0.000 0.981 588 E CA -0.161 56.275 56.400 0.060 0.000 0.948 588 E CB 0.501 30.246 29.700 0.075 0.000 0.934 588 E HN 0.751 nan 8.360 nan 0.000 0.459 589 T N 4.457 119.015 114.554 0.008 0.000 2.901 589 T HA 0.143 4.493 4.350 0.000 0.000 0.301 589 T C -0.136 174.541 174.700 -0.038 0.000 1.012 589 T CA -0.496 61.587 62.100 -0.029 0.000 1.135 589 T CB 0.448 69.301 68.868 -0.026 0.000 0.936 589 T HN 0.362 nan 8.240 nan 0.000 0.539 590 L N 3.731 124.907 121.223 -0.079 0.000 2.283 590 L HA 0.378 4.718 4.340 0.000 0.000 0.287 590 L C -0.291 176.580 176.870 0.001 0.000 1.073 590 L CA -0.347 54.449 54.840 -0.074 0.000 0.822 590 L CB 0.277 42.272 42.059 -0.106 0.000 1.186 590 L HN 0.519 nan 8.230 nan 0.000 0.436 591 D N 4.846 125.269 120.400 0.037 0.000 2.467 591 D HA 0.337 4.977 4.640 0.000 0.000 0.220 591 D C -0.748 175.628 176.300 0.126 0.000 1.103 591 D CA -0.105 53.943 54.000 0.080 0.000 0.886 591 D CB 0.386 41.228 40.800 0.071 0.000 1.025 591 D HN 0.519 nan 8.370 nan 0.000 0.514 592 L N 2.781 124.103 121.223 0.164 0.000 2.325 592 L HA 0.551 4.891 4.340 0.000 0.000 0.279 592 L C 0.037 177.022 176.870 0.193 0.000 1.054 592 L CA -0.465 54.500 54.840 0.209 0.000 0.804 592 L CB 1.877 44.102 42.059 0.276 0.000 1.200 592 L HN 0.289 nan 8.230 nan 0.000 0.436 593 T N 1.953 116.641 114.554 0.223 0.000 3.050 593 T HA 0.376 4.726 4.350 0.000 0.000 0.310 593 T C -0.626 174.225 174.700 0.252 0.000 0.978 593 T CA -0.391 61.825 62.100 0.193 0.000 1.013 593 T CB 1.523 70.477 68.868 0.144 0.000 1.000 593 T HN 0.141 nan 8.240 nan 0.000 0.447 594 V N 3.937 123.956 119.914 0.176 0.000 2.384 594 V HA 0.508 4.628 4.120 0.000 0.000 0.287 594 V C -0.043 176.099 176.094 0.080 0.000 1.020 594 V CA -0.767 61.623 62.300 0.149 0.000 0.850 594 V CB 1.680 33.568 31.823 0.109 0.000 0.987 594 V HN 0.692 nan 8.190 nan 0.000 0.436 595 V N 5.734 125.701 119.914 0.088 0.000 2.398 595 V HA 0.442 4.562 4.120 0.000 0.000 0.286 595 V C -0.123 175.893 176.094 -0.129 0.000 1.026 595 V CA -0.511 61.794 62.300 0.008 0.000 0.868 595 V CB 1.870 33.774 31.823 0.136 0.000 0.982 595 V HN 0.613 nan 8.190 nan 0.000 0.443 596 V N 3.493 123.179 119.914 -0.381 0.000 2.289 596 V HA 0.305 4.425 4.120 0.000 0.000 0.272 596 V C -0.130 175.767 176.094 -0.327 0.000 1.026 596 V CA -0.405 61.603 62.300 -0.485 0.000 0.807 596 V CB 1.240 32.461 31.823 -1.003 0.000 1.044 596 V HN 0.845 nan 8.190 nan 0.000 0.443 597 D N 4.877 125.222 120.400 -0.091 0.000 2.619 597 D HA 0.221 4.861 4.640 0.000 0.000 0.224 597 D C 0.894 177.146 176.300 -0.082 0.000 1.133 597 D CA 0.659 54.710 54.000 0.085 0.000 1.017 597 D CB -0.165 40.796 40.800 0.268 0.000 1.077 597 D HN 0.593 nan 8.370 nan 0.000 0.503 598 N N 1.234 119.677 118.700 -0.429 0.000 1.517 598 N HA -0.306 4.434 4.740 0.000 0.000 0.179 598 N C 0.754 176.184 175.510 -0.134 0.000 0.833 598 N CA 2.175 54.958 53.050 -0.444 0.000 1.150 598 N CB -1.357 37.040 38.487 -0.149 0.000 1.449 598 N HN 0.253 nan 8.380 nan 0.000 0.448 599 A N 0.691 123.566 122.820 0.091 0.000 2.167 599 A HA 0.329 4.649 4.320 0.000 0.000 0.214 599 A C 0.698 178.294 177.584 0.021 0.000 1.151 599 A CA 1.143 53.272 52.037 0.153 0.000 0.735 599 A CB -0.051 19.171 19.000 0.371 0.000 0.802 599 A HN 0.349 nan 8.150 nan 0.000 0.467 600 V N 1.496 121.317 119.914 -0.154 0.000 2.389 600 V HA 0.259 4.379 4.120 0.000 0.000 0.264 600 V C -0.368 175.537 176.094 -0.315 0.000 1.049 600 V CA -0.189 61.837 62.300 -0.457 0.000 0.932 600 V CB 0.931 32.328 31.823 -0.711 0.000 1.011 600 V HN 0.119 nan 8.190 nan 0.000 0.475 601 V N 5.306 125.046 119.914 -0.290 0.000 2.384 601 V HA 0.436 4.556 4.120 0.000 0.000 0.287 601 V C -0.043 175.956 176.094 -0.158 0.000 1.020 601 V CA -0.612 61.576 62.300 -0.187 0.000 0.850 601 V CB 1.637 33.374 31.823 -0.142 0.000 0.987 601 V HN 0.898 nan 8.190 nan 0.000 0.436 602 E N 3.413 123.566 120.200 -0.078 0.000 2.165 602 E HA 0.531 4.881 4.350 0.000 0.000 0.266 602 E C -1.339 175.236 176.600 -0.041 0.000 0.889 602 E CA -0.569 55.776 56.400 -0.092 0.000 0.756 602 E CB 2.523 32.225 29.700 0.003 0.000 1.131 602 E HN 0.460 nan 8.360 nan 0.000 0.411 603 V N 4.453 124.309 119.914 -0.097 0.000 2.347 603 V HA 0.280 4.400 4.120 0.000 0.000 0.280 603 V C -0.902 175.217 176.094 0.042 0.000 1.021 603 V CA -0.625 61.714 62.300 0.066 0.000 0.847 603 V CB -0.074 31.837 31.823 0.147 0.000 0.990 603 V HN 0.582 nan 8.190 nan 0.000 0.444 604 Y N 2.607 123.042 120.300 0.225 0.000 2.387 604 Y HA 0.783 5.333 4.550 0.000 0.000 0.336 604 Y C 0.368 176.446 175.900 0.296 0.000 1.067 604 Y CA -0.599 57.658 58.100 0.261 0.000 1.114 604 Y CB 2.148 40.703 38.460 0.159 0.000 1.208 604 Y HN 0.689 nan 8.280 nan 0.000 0.458 605 A N 2.155 125.287 122.820 0.519 0.000 2.427 605 A HA 0.403 4.723 4.320 0.000 0.000 0.298 605 A C -0.273 177.476 177.584 0.276 0.000 1.036 605 A CA -0.949 51.276 52.037 0.313 0.000 0.701 605 A CB 0.498 19.565 19.000 0.110 0.000 1.250 605 A HN 1.015 nan 8.150 nan 0.000 0.412 606 N N 1.328 120.136 118.700 0.180 0.000 2.686 606 N HA -0.298 4.442 4.740 0.000 0.000 0.249 606 N C 1.113 176.725 175.510 0.170 0.000 1.082 606 N CA 1.134 54.272 53.050 0.147 0.000 0.725 606 N CB -0.676 37.881 38.487 0.118 0.000 1.009 606 N HN 2.078 nan 8.380 nan 0.000 0.545 607 G N 0.726 109.638 108.800 0.187 0.000 2.216 607 G HA2 -0.396 3.564 3.960 0.000 0.000 0.269 607 G HA3 -0.396 3.564 3.960 0.000 0.000 0.269 607 G C 0.588 175.601 174.900 0.189 0.000 0.981 607 G CA 1.277 46.474 45.100 0.162 0.000 0.658 607 G HN 0.778 nan 8.290 nan 0.000 0.539 608 R N -1.830 118.828 120.500 0.264 0.000 2.642 608 R HA 0.680 5.020 4.340 0.000 0.000 0.435 608 R C -0.161 176.419 176.300 0.466 0.000 1.046 608 R CA -0.498 55.781 56.100 0.298 0.000 1.103 608 R CB 0.172 30.648 30.300 0.293 0.000 1.425 608 R HN 0.532 nan 8.270 nan 0.000 0.586 609 F N 0.640 120.764 119.950 0.290 0.000 2.654 609 F HA 0.721 5.248 4.527 -0.000 0.000 0.308 609 F C -1.972 173.977 175.800 0.248 0.000 1.108 609 F CA -0.568 57.630 58.000 0.330 0.000 0.957 609 F CB 2.305 41.466 39.000 0.268 0.000 1.309 609 F HN 0.117 nan 8.300 nan 0.000 0.446 610 A N 4.593 127.095 122.820 -0.531 0.000 2.512 610 A HA 0.679 4.999 4.320 0.000 0.000 0.294 610 A C -2.746 174.510 177.584 -0.545 0.000 1.054 610 A CA -0.437 51.323 52.037 -0.463 0.000 0.756 610 A CB 1.432 20.255 19.000 -0.296 0.000 1.293 610 A HN 1.139 nan 8.150 nan 0.000 0.395 611 L N 1.902 122.913 121.223 -0.353 0.000 2.441 611 L HA 0.810 5.150 4.340 0.000 0.000 0.270 611 L C -0.837 175.961 176.870 -0.120 0.000 0.973 611 L CA 0.168 54.919 54.840 -0.149 0.000 0.842 611 L CB 2.003 44.066 42.059 0.006 0.000 1.239 611 L HN 0.593 nan 8.230 nan 0.000 0.406 612 S N 2.573 118.208 115.700 -0.110 0.000 2.536 612 S HA 0.927 5.397 4.470 0.000 0.000 0.298 612 S C -0.542 173.962 174.600 -0.160 0.000 1.083 612 S CA -0.560 57.546 58.200 -0.157 0.000 0.995 612 S CB 2.026 65.113 63.200 -0.188 0.000 1.058 612 S HN 0.804 nan 8.310 nan 0.000 0.488 613 T N 0.270 114.678 114.554 -0.244 0.000 2.711 613 T HA 0.554 4.904 4.350 0.000 0.000 0.302 613 T C -2.124 172.351 174.700 -0.375 0.000 1.373 613 T CA -0.638 61.312 62.100 -0.249 0.000 1.000 613 T CB 0.420 69.214 68.868 -0.124 0.000 1.483 613 T HN 0.570 nan 8.240 nan 0.000 0.499 614 W N 1.393 122.561 121.300 -0.219 0.000 2.433 614 W HA 0.700 5.360 4.660 0.000 0.000 0.315 614 W C 0.059 176.417 176.519 -0.268 0.000 1.087 614 W CA -0.695 56.497 57.345 -0.256 0.000 1.205 614 W CB 1.460 30.726 29.460 -0.325 0.000 1.288 614 W HN 0.747 nan 8.180 nan 0.000 0.504 615 A N 4.069 126.889 122.820 0.001 0.000 2.978 615 A HA 0.404 4.724 4.320 0.000 0.000 0.341 615 A C -0.070 177.455 177.584 -0.099 0.000 1.105 615 A CA -0.842 51.155 52.037 -0.066 0.000 0.819 615 A CB -0.004 18.965 19.000 -0.052 0.000 1.080 615 A HN 0.702 nan 8.150 nan 0.000 0.476 616 R N 1.973 122.306 120.500 -0.279 0.000 3.688 616 R HA 0.119 4.459 4.340 0.000 0.000 0.194 616 R C 0.390 176.651 176.300 -0.065 0.000 1.677 616 R CA 0.259 55.985 56.100 -0.623 0.000 1.351 616 R CB -0.313 29.115 30.300 -1.453 0.000 1.338 616 R HN 0.718 nan 8.270 nan 0.000 0.731 617 S N 0.152 115.941 115.700 0.150 0.000 2.585 617 S HA 0.030 4.500 4.470 0.000 0.000 0.273 617 S C 0.638 175.525 174.600 0.478 0.000 1.339 617 S CA -0.878 57.484 58.200 0.269 0.000 1.028 617 S CB 1.252 64.569 63.200 0.196 0.000 0.906 617 S HN 0.707 nan 8.310 nan 0.000 0.528 618 W N 1.948 123.373 121.300 0.208 0.000 2.678 618 W HA 0.190 4.850 4.660 0.000 0.000 0.282 618 W C -0.581 175.918 176.519 -0.033 0.000 1.137 618 W CA -0.170 57.220 57.345 0.075 0.000 1.515 618 W CB -0.206 29.177 29.460 -0.128 0.000 1.101 618 W HN 0.711 nan 8.180 nan 0.000 0.564 619 Y N 3.235 123.663 120.300 0.213 0.000 2.397 619 Y HA -0.019 4.531 4.550 -0.000 0.000 0.335 619 Y C 1.741 177.635 175.900 -0.010 0.000 1.213 619 Y CA 0.534 58.680 58.100 0.077 0.000 1.391 619 Y CB 0.400 38.970 38.460 0.183 0.000 1.293 619 Y HN -0.067 nan 8.280 nan 0.000 0.557 620 D N 0.685 121.155 120.400 0.116 0.000 2.219 620 D HA -0.156 4.484 4.640 0.000 0.000 0.205 620 D C 1.138 177.495 176.300 0.096 0.000 0.970 620 D CA 0.981 55.018 54.000 0.062 0.000 0.851 620 D CB -0.014 40.806 40.800 0.033 0.000 0.943 620 D HN 0.565 nan 8.370 nan 0.000 0.488 621 N N 0.522 119.300 118.700 0.130 0.000 2.459 621 N HA -0.051 4.689 4.740 0.000 0.000 0.181 621 N C 0.238 175.791 175.510 0.071 0.000 1.046 621 N CA 0.259 53.356 53.050 0.078 0.000 0.904 621 N CB -0.063 38.448 38.487 0.039 0.000 0.964 621 N HN -0.093 nan 8.380 nan 0.000 0.444 622 S N 0.510 116.283 115.700 0.122 0.000 4.051 622 S HA 0.057 4.527 4.470 0.000 0.000 0.215 622 S C 1.154 175.797 174.600 0.071 0.000 1.289 622 S CA 0.042 58.306 58.200 0.106 0.000 0.907 622 S CB -0.478 62.826 63.200 0.175 0.000 1.603 622 S HN 0.442 nan 8.310 nan 0.000 0.453 623 T N -2.061 112.509 114.554 0.026 0.000 3.262 623 T HA 0.193 4.543 4.350 0.000 0.000 0.300 623 T C 0.224 174.859 174.700 -0.108 0.000 0.959 623 T CA -0.480 61.612 62.100 -0.013 0.000 0.936 623 T CB 0.176 69.045 68.868 0.001 0.000 1.169 623 T HN 0.226 nan 8.240 nan 0.000 0.532 624 Q N 1.069 120.818 119.800 -0.086 0.000 2.394 624 Q HA 0.488 4.828 4.340 0.000 0.000 0.248 624 Q C -0.392 175.470 176.000 -0.230 0.000 0.992 624 Q CA 0.175 55.900 55.803 -0.130 0.000 0.888 624 Q CB 1.403 30.102 28.738 -0.065 0.000 1.257 624 Q HN 0.568 nan 8.270 nan 0.000 0.462 625 I N 2.288 122.629 120.570 -0.381 0.000 2.498 625 I HA 0.435 4.605 4.170 0.000 0.000 0.290 625 I C -0.402 175.338 176.117 -0.627 0.000 1.032 625 I CA -0.638 60.264 61.300 -0.663 0.000 1.073 625 I CB 1.905 39.147 38.000 -1.263 0.000 1.251 625 I HN 0.373 nan 8.210 nan 0.000 0.426 626 R N 4.217 124.504 120.500 -0.355 0.000 2.795 626 R HA 0.595 4.935 4.340 0.000 0.000 0.275 626 R C -1.432 174.962 176.300 0.158 0.000 0.981 626 R CA -0.761 55.338 56.100 -0.001 0.000 0.917 626 R CB 2.016 32.382 30.300 0.109 0.000 1.202 626 R HN 0.253 nan 8.270 nan 0.000 0.469 627 F N 1.543 121.674 119.950 0.302 0.000 2.399 627 F HA 0.357 4.884 4.527 -0.000 0.000 0.342 627 F C 0.017 175.911 175.800 0.157 0.000 1.106 627 F CA 0.054 58.093 58.000 0.065 0.000 1.196 627 F CB 0.709 39.607 39.000 -0.170 0.000 1.163 627 F HN 0.309 nan 8.300 nan 0.000 0.547 628 F N 3.143 123.186 119.950 0.156 0.000 2.565 628 F HA 0.578 5.105 4.527 0.000 0.000 0.313 628 F C -1.406 174.582 175.800 0.314 0.000 1.091 628 F CA -0.753 57.364 58.000 0.195 0.000 0.915 628 F CB 1.239 40.318 39.000 0.133 0.000 1.208 628 F HN 0.510 nan 8.300 nan 0.000 0.453 629 H N 4.184 122.766 119.070 -0.814 0.000 3.086 629 H HA 0.279 4.835 4.556 0.000 0.000 0.353 629 H C -0.783 174.063 175.328 -0.803 0.000 1.134 629 H CA -0.947 54.663 56.048 -0.731 0.000 1.248 629 H CB 1.205 30.859 29.762 -0.180 0.000 1.878 629 H HN 0.556 nan 8.280 nan 0.000 0.527 630 N N 2.984 120.989 118.700 -1.157 0.000 2.295 630 N HA 0.158 4.898 4.740 0.000 0.000 0.221 630 N C 1.169 176.322 175.510 -0.595 0.000 1.129 630 N CA 0.522 53.162 53.050 -0.682 0.000 0.836 630 N CB 0.257 38.496 38.487 -0.415 0.000 1.040 630 N HN 0.980 nan 8.380 nan 0.000 0.494 631 G N -0.033 108.197 108.800 -0.950 0.000 2.284 631 G HA2 -0.286 3.674 3.960 0.000 0.000 0.261 631 G HA3 -0.286 3.674 3.960 0.000 0.000 0.261 631 G C -0.296 174.447 174.900 -0.261 0.000 0.997 631 G CA 0.277 45.132 45.100 -0.409 0.000 0.621 631 G HN 0.429 nan 8.290 nan 0.000 0.534 632 E N 1.546 121.552 120.200 -0.324 0.000 2.152 632 E HA 0.521 4.871 4.350 0.000 0.000 0.285 632 E C 1.022 177.623 176.600 0.001 0.000 1.043 632 E CA 0.823 57.149 56.400 -0.123 0.000 0.839 632 E CB 0.499 30.133 29.700 -0.110 0.000 1.069 632 E HN 1.606 nan 8.360 nan 0.000 0.399 633 G N 3.271 112.105 108.800 0.058 0.000 2.632 633 G HA2 -0.246 3.714 3.960 0.000 0.000 0.224 633 G HA3 -0.246 3.714 3.960 0.000 0.000 0.224 633 G C -0.503 174.526 174.900 0.215 0.000 1.341 633 G CA -0.035 45.127 45.100 0.104 0.000 0.880 633 G HN 0.575 nan 8.290 nan 0.000 0.566 634 E N -1.944 118.345 120.200 0.148 0.000 2.340 634 E HA 0.647 4.997 4.350 0.000 0.000 0.273 634 E C -1.497 175.080 176.600 -0.038 0.000 0.891 634 E CA -0.730 55.668 56.400 -0.004 0.000 0.757 634 E CB 2.435 32.118 29.700 -0.028 0.000 1.231 634 E HN 1.403 nan 8.360 nan 0.000 0.439 635 V N 2.898 122.615 119.914 -0.328 0.000 2.841 635 V HA 0.441 4.561 4.120 0.000 0.000 0.310 635 V C -1.769 173.991 176.094 -0.556 0.000 1.090 635 V CA -0.364 61.668 62.300 -0.447 0.000 0.930 635 V CB 2.153 33.652 31.823 -0.541 0.000 1.014 635 V HN 0.806 nan 8.190 nan 0.000 0.425 636 Q N 5.085 124.518 119.800 -0.611 0.000 2.325 636 Q HA 0.513 4.853 4.340 0.000 0.000 0.270 636 Q C -1.758 173.952 176.000 -0.484 0.000 1.020 636 Q CA -0.313 55.235 55.803 -0.424 0.000 0.785 636 Q CB 2.479 31.065 28.738 -0.253 0.000 1.259 636 Q HN 0.682 nan 8.270 nan 0.000 0.452 637 F N 1.922 121.808 119.950 -0.106 0.000 2.410 637 F HA 0.477 5.004 4.527 -0.000 0.000 0.349 637 F C 0.505 176.322 175.800 0.028 0.000 1.117 637 F CA -0.391 57.621 58.000 0.020 0.000 1.104 637 F CB 1.008 40.124 39.000 0.194 0.000 1.122 637 F HN 0.220 nan 8.300 nan 0.000 0.483 638 R N 1.283 121.910 120.500 0.211 0.000 2.744 638 R HA 0.342 4.682 4.340 0.000 0.000 0.279 638 R C -0.517 175.871 176.300 0.146 0.000 0.977 638 R CA -1.213 54.964 56.100 0.128 0.000 0.906 638 R CB 1.656 31.984 30.300 0.046 0.000 1.197 638 R HN 0.758 nan 8.270 nan 0.000 0.463 639 N N -0.000 118.761 118.700 0.103 0.000 2.705 639 N HA -0.175 4.565 4.740 0.000 0.000 0.255 639 N C -0.824 174.752 175.510 0.110 0.000 1.008 639 N CA -0.062 53.040 53.050 0.085 0.000 0.742 639 N CB -0.751 37.777 38.487 0.068 0.000 0.906 639 N HN 0.114 nan 8.380 nan 0.000 0.541 640 V N 0.568 120.556 119.914 0.123 0.000 2.498 640 V HA 0.519 4.639 4.120 0.000 0.000 0.279 640 V C 0.517 176.618 176.094 0.011 0.000 1.048 640 V CA 0.100 62.459 62.300 0.099 0.000 0.967 640 V CB 1.654 33.540 31.823 0.104 0.000 0.988 640 V HN 0.358 nan 8.190 nan 0.000 0.473 641 S N 3.562 119.274 115.700 0.020 0.000 2.565 641 S HA 0.799 5.269 4.470 0.000 0.000 0.269 641 S C -1.525 173.108 174.600 0.056 0.000 1.153 641 S CA -0.467 57.747 58.200 0.024 0.000 0.835 641 S CB 2.078 65.297 63.200 0.032 0.000 1.122 641 S HN 0.426 nan 8.310 nan 0.000 0.462 642 V N 2.411 122.364 119.914 0.064 0.000 2.623 642 V HA 0.655 4.775 4.120 0.000 0.000 0.304 642 V C -0.376 175.771 176.094 0.088 0.000 1.054 642 V CA -0.681 61.668 62.300 0.081 0.000 0.882 642 V CB 1.706 33.546 31.823 0.028 0.000 1.002 642 V HN 0.801 nan 8.190 nan 0.000 0.424 643 S N 3.873 119.652 115.700 0.132 0.000 2.474 643 S HA 0.509 4.979 4.470 0.000 0.000 0.321 643 S C -0.568 174.144 174.600 0.188 0.000 1.080 643 S CA -0.489 57.787 58.200 0.126 0.000 1.106 643 S CB 0.850 64.115 63.200 0.108 0.000 0.984 643 S HN 0.867 nan 8.310 nan 0.000 0.464 644 E N 3.190 123.487 120.200 0.163 0.000 2.214 644 E HA 0.600 4.950 4.350 0.000 0.000 0.274 644 E C 0.942 177.653 176.600 0.185 0.000 0.977 644 E CA 0.075 56.604 56.400 0.214 0.000 0.827 644 E CB 1.049 30.848 29.700 0.164 0.000 1.130 644 E HN 0.916 nan 8.360 nan 0.000 0.394 645 G N 3.440 112.369 108.800 0.215 0.000 2.376 645 G HA2 -0.262 3.698 3.960 0.000 0.000 0.208 645 G HA3 -0.262 3.698 3.960 0.000 0.000 0.208 645 G C 0.596 175.575 174.900 0.131 0.000 1.032 645 G CA -0.141 45.047 45.100 0.147 0.000 0.641 645 G HN 0.690 nan 8.290 nan 0.000 0.503 646 L N -2.125 119.203 121.223 0.175 0.000 6.963 646 L HA -0.207 4.133 4.340 0.000 0.000 0.053 646 L C 0.700 177.723 176.870 0.255 0.000 1.740 646 L CA 2.311 57.273 54.840 0.205 0.000 1.613 646 L CB -1.282 40.880 42.059 0.171 0.000 2.780 646 L HN 1.680 nan 8.230 nan 0.000 1.092 647 Y N -1.945 118.361 120.300 0.009 0.000 2.779 647 Y HA 0.533 5.083 4.550 0.000 0.000 0.340 647 Y C -0.648 175.246 175.900 -0.010 0.000 1.252 647 Y CA -1.180 56.911 58.100 -0.016 0.000 1.072 647 Y CB 1.021 39.471 38.460 -0.018 0.000 1.343 647 Y HN 0.444 nan 8.280 nan 0.000 0.450 648 N N 1.062 119.746 118.700 -0.025 0.000 2.420 648 N HA 0.354 5.094 4.740 0.000 0.000 0.249 648 N C 0.362 175.826 175.510 -0.076 0.000 1.033 648 N CA 0.554 53.556 53.050 -0.081 0.000 0.944 648 N CB 1.784 40.290 38.487 0.031 0.000 1.113 648 N HN 0.951 nan 8.380 nan 0.000 0.502 649 A N 3.494 126.182 122.820 -0.219 0.000 2.119 649 A HA -0.030 4.290 4.320 0.000 0.000 0.217 649 A C -0.031 177.369 177.584 -0.306 0.000 1.153 649 A CA 0.493 52.419 52.037 -0.185 0.000 0.692 649 A CB -0.191 18.700 19.000 -0.182 0.000 0.799 649 A HN 0.719 nan 8.150 nan 0.000 0.458 650 W N -0.834 120.512 121.300 0.077 0.000 2.148 650 W HA 0.432 5.092 4.660 0.000 0.000 0.288 650 W C -2.303 174.247 176.519 0.051 0.000 0.920 650 W CA -1.982 55.414 57.345 0.084 0.000 1.904 650 W CB 0.449 29.944 29.460 0.058 0.000 2.083 650 W HN 0.104 nan 8.180 nan 0.000 0.398 651 P HA -0.238 nan 4.420 nan 0.000 0.215 651 P C 1.441 178.812 177.300 0.119 0.000 1.157 651 P CA 1.806 64.974 63.100 0.112 0.000 0.874 651 P CB 0.505 32.241 31.700 0.060 0.000 0.790 652 E N -0.852 119.428 120.200 0.133 0.000 2.267 652 E HA -0.121 4.229 4.350 0.000 0.000 0.197 652 E C 0.937 177.611 176.600 0.123 0.000 0.998 652 E CA 0.791 57.262 56.400 0.118 0.000 0.830 652 E CB -0.261 29.514 29.700 0.125 0.000 0.751 652 E HN 0.226 nan 8.360 nan 0.000 0.491 653 R N 0.000 120.599 120.500 0.166 0.000 2.786 653 R HA 0.000 4.340 4.340 0.000 0.000 0.208 653 R CA 0.000 56.167 56.100 0.112 0.000 0.921 653 R CB 0.000 30.366 30.300 0.110 0.000 0.687 653 R HN 0.000 nan 8.270 nan 0.000 0.535