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 1c7t_1_A DATA FIRST_RESID 28 DATA SEQUENCE DQQLVDQLSQ LKLNVKMLDN RAGENGVDcA ALGADWAScN RVLFTLSNDG DATA SEQUENCE QAIDGKDWVI YFHSPRQTLR VDNDQFKIAH LTGDLYKLEP TAKFSGFPAG DATA SEQUENCE KAVEIPVVAE YWQLFRNDFL PRWYATSGDA KPKMLANTDT ENLDQFVAPF DATA SEQUENCE TGDQWKRTKD DKNILMTPAS RFVSNADLQT LPAGALRGKI VPTPMQVKVH DATA SEQUENCE AQDADLRKGV ALDLSTLVKP AADVVSQRFA LLGVPVQTNG YPIKTDIQPG DATA SEQUENCE KFKGAMAVSG AYELKIGKKE AQVIGFDQAG VFYGLQSILS LVPSDGSGKI DATA SEQUENCE ATLDASDAPR FPYRGIFLDV ARNFHKKDAV LRLLDQMAAY KLNKFHFHLS DATA SEQUENCE DDEGWRIEIP GLPELTEVGG QRcHDLSETT cLLPQYGQGP DVYGGFFSRQ DATA SEQUENCE DYIDIIKYAQ ARQIEVIPEI DMPAHARAAV VSMEARYKKL HAAGKEQEAN DATA SEQUENCE EFRLVDQTDT SNTTSVQFFN RQSYLNPcLD SSQRFVDKVI GEIAQMHKEA DATA SEQUENCE GQPIKTWHFG GDDAKNIRLG AGYTDKAKPE PGKGIIDQSN EDKPWAKSQV DATA SEQUENCE cQTMIKEGKV ADMEHLPSYF GQEVSKLVKA HGIDRMQAWQ DGLKDAESSK DATA SEQUENCE AFATSRVGVN FWDTLYWGGF DSVNDWANKG YEVVVSNPDY VYMDFPYEVN DATA SEQUENCE PDERGYYWGT RFSDERKVFS FAPDNMPQNA ETSVDRDGNH FNAKSDKPWP DATA SEQUENCE GAYGLSAQLW SETQRTDPQM EYMIFPRALS VAERSWHRAG WEQDYRAGRE DATA SEQUENCE YKGGETHFVD TQALEKDWLR FANILGQREL AKLDKGGVAY RLPVPGARVA DATA SEQUENCE GGKLEANIAL PGLGIEYSTD GGKQWQRYDA KAKPAVSGEV QVRSVSPDGK DATA SEQUENCE RYSRAEKV 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 28 D HA 0.000 nan 4.640 nan 0.000 0.175 28 D C 0.000 176.350 176.300 0.084 0.000 2.045 28 D CA 0.000 54.053 54.000 0.089 0.000 0.868 28 D CB 0.000 40.844 40.800 0.073 0.000 0.688 29 Q N -0.809 119.031 119.800 0.066 0.000 2.124 29 Q HA -0.075 4.264 4.340 -0.001 0.000 0.202 29 Q C 1.785 177.815 176.000 0.050 0.000 0.977 29 Q CA 1.994 57.831 55.803 0.057 0.000 0.850 29 Q CB -0.146 28.619 28.738 0.045 0.000 0.901 29 Q HN 0.427 nan 8.270 nan 0.000 0.429 30 Q N -0.448 119.383 119.800 0.051 0.000 2.084 30 Q HA -0.156 4.184 4.340 -0.001 0.000 0.202 30 Q C 2.014 178.041 176.000 0.046 0.000 0.978 30 Q CA 1.231 57.060 55.803 0.044 0.000 0.844 30 Q CB -0.371 28.395 28.738 0.046 0.000 0.898 30 Q HN 0.373 nan 8.270 nan 0.000 0.426 31 L N 0.137 121.401 121.223 0.068 0.000 2.056 31 L HA -0.111 4.228 4.340 -0.001 0.000 0.207 31 L C 2.223 179.113 176.870 0.033 0.000 1.078 31 L CA 1.345 56.229 54.840 0.074 0.000 0.749 31 L CB -0.678 41.466 42.059 0.142 0.000 0.901 31 L HN -0.072 nan 8.230 nan 0.000 0.433 32 V N -0.045 119.901 119.914 0.054 0.000 2.407 32 V HA -0.260 3.859 4.120 -0.001 0.000 0.248 32 V C 2.210 178.306 176.094 0.005 0.000 1.055 32 V CA 1.851 64.174 62.300 0.039 0.000 1.049 32 V CB -0.727 31.137 31.823 0.068 0.000 0.662 32 V HN 0.460 nan 8.190 nan 0.000 0.455 33 D N -0.558 119.848 120.400 0.010 0.000 2.117 33 D HA -0.146 4.493 4.640 -0.001 0.000 0.198 33 D C 2.333 178.616 176.300 -0.029 0.000 0.982 33 D CA 1.079 55.077 54.000 -0.003 0.000 0.828 33 D CB -0.206 40.599 40.800 0.007 0.000 0.967 33 D HN 0.501 nan 8.370 nan 0.000 0.464 34 Q N 0.145 119.927 119.800 -0.030 0.000 2.030 34 Q HA -0.107 4.233 4.340 -0.001 0.000 0.204 34 Q C 2.537 178.458 176.000 -0.131 0.000 0.986 34 Q CA 0.879 56.646 55.803 -0.059 0.000 0.843 34 Q CB -0.250 28.467 28.738 -0.035 0.000 0.904 34 Q HN 0.300 nan 8.270 nan 0.000 0.420 35 L N 0.942 122.057 121.223 -0.180 0.000 2.081 35 L HA -0.230 4.109 4.340 -0.001 0.000 0.212 35 L C 2.642 179.379 176.870 -0.222 0.000 1.080 35 L CA 1.381 56.039 54.840 -0.302 0.000 0.754 35 L CB -0.776 41.070 42.059 -0.354 0.000 0.893 35 L HN 0.309 nan 8.230 nan 0.000 0.433 36 S N -0.890 114.738 115.700 -0.120 0.000 2.442 36 S HA -0.225 4.245 4.470 -0.001 0.000 0.236 36 S C 1.711 176.254 174.600 -0.094 0.000 1.007 36 S CA 0.946 59.100 58.200 -0.076 0.000 0.965 36 S CB -0.265 62.918 63.200 -0.029 0.000 0.773 36 S HN 0.553 nan 8.310 nan 0.000 0.504 37 Q N 0.340 120.072 119.800 -0.113 0.000 2.319 37 Q HA 0.392 4.732 4.340 -0.001 0.000 0.202 37 Q C -0.228 175.686 176.000 -0.143 0.000 0.896 37 Q CA -0.272 55.468 55.803 -0.104 0.000 0.942 37 Q CB 0.056 28.749 28.738 -0.075 0.000 1.083 37 Q HN 0.553 nan 8.270 nan 0.000 0.510 38 L N 1.562 122.655 121.223 -0.217 0.000 2.483 38 L HA 0.068 4.408 4.340 -0.001 0.000 0.276 38 L C 0.277 177.015 176.870 -0.221 0.000 1.213 38 L CA 0.259 54.938 54.840 -0.268 0.000 0.843 38 L CB 0.189 41.986 42.059 -0.437 0.000 1.107 38 L HN -0.039 nan 8.230 nan 0.000 0.487 39 K N 3.049 123.333 120.400 -0.193 0.000 2.213 39 K HA 0.438 4.758 4.320 -0.001 0.000 0.270 39 K C -1.048 175.419 176.600 -0.222 0.000 1.002 39 K CA -0.801 55.382 56.287 -0.173 0.000 0.868 39 K CB 1.328 33.763 32.500 -0.109 0.000 1.093 39 K HN 0.359 nan 8.250 nan 0.000 0.454 40 L N 3.822 124.871 121.223 -0.290 0.000 2.357 40 L HA 0.402 4.742 4.340 -0.001 0.000 0.273 40 L C -0.857 175.893 176.870 -0.201 0.000 1.080 40 L CA 0.079 54.682 54.840 -0.395 0.000 0.803 40 L CB 1.235 42.850 42.059 -0.741 0.000 1.174 40 L HN 0.813 nan 8.230 nan 0.000 0.443 41 N N 3.404 122.000 118.700 -0.173 0.000 2.295 41 N HA 0.478 5.218 4.740 -0.001 0.000 0.293 41 N C -1.980 173.490 175.510 -0.066 0.000 1.040 41 N CA -0.435 52.567 53.050 -0.080 0.000 0.840 41 N CB 2.105 40.555 38.487 -0.061 0.000 1.468 41 N HN 0.445 nan 8.380 nan 0.000 0.478 42 V N 3.005 122.881 119.914 -0.063 0.000 2.495 42 V HA 0.472 4.592 4.120 -0.001 0.000 0.298 42 V C -0.274 175.700 176.094 -0.200 0.000 1.031 42 V CA -0.656 61.593 62.300 -0.084 0.000 0.871 42 V CB 1.628 33.348 31.823 -0.172 0.000 0.988 42 V HN 0.636 nan 8.190 nan 0.000 0.432 43 K N 4.501 124.783 120.400 -0.197 0.000 2.535 43 K HA 0.588 4.908 4.320 -0.001 0.000 0.250 43 K C -0.740 175.743 176.600 -0.194 0.000 0.948 43 K CA -0.870 55.317 56.287 -0.167 0.000 0.796 43 K CB 1.822 34.260 32.500 -0.104 0.000 1.216 43 K HN 0.638 nan 8.250 nan 0.000 0.432 44 M N 5.664 125.144 119.600 -0.201 0.000 2.238 44 M HA 0.141 4.620 4.480 -0.001 0.000 0.350 44 M C -0.763 175.409 176.300 -0.214 0.000 1.321 44 M CA 0.383 55.546 55.300 -0.229 0.000 1.097 44 M CB 0.325 32.589 32.600 -0.561 0.000 1.713 44 M HN 0.865 nan 8.290 nan 0.000 0.455 45 L N 1.440 122.570 121.223 -0.155 0.000 2.433 45 L HA 0.377 4.717 4.340 -0.001 0.000 0.200 45 L C 0.008 176.808 176.870 -0.117 0.000 1.059 45 L CA 0.149 54.913 54.840 -0.127 0.000 0.835 45 L CB 0.201 42.199 42.059 -0.102 0.000 1.076 45 L HN 0.649 nan 8.230 nan 0.000 0.481 46 D N -1.115 119.229 120.400 -0.093 0.000 2.738 46 D HA 0.122 4.761 4.640 -0.001 0.000 0.218 46 D C -0.380 175.900 176.300 -0.033 0.000 1.345 46 D CA -0.219 53.736 54.000 -0.075 0.000 0.943 46 D CB 0.980 41.747 40.800 -0.055 0.000 1.514 46 D HN -0.218 nan 8.370 nan 0.000 0.585 47 N N 2.057 120.733 118.700 -0.039 0.000 2.461 47 N HA 0.093 4.832 4.740 -0.001 0.000 0.188 47 N C 0.068 175.635 175.510 0.094 0.000 1.134 47 N CA 0.455 53.540 53.050 0.058 0.000 0.878 47 N CB 0.354 38.871 38.487 0.050 0.000 0.972 47 N HN 0.370 nan 8.380 nan 0.000 0.456 48 R N -0.272 120.244 120.500 0.027 0.000 2.718 48 R HA 0.329 4.669 4.340 -0.001 0.000 0.307 48 R C 0.753 177.066 176.300 0.021 0.000 1.244 48 R CA -0.171 55.950 56.100 0.034 0.000 1.348 48 R CB 0.583 30.865 30.300 -0.029 0.000 1.304 48 R HN -0.052 nan 8.270 nan 0.000 0.663 49 A N 0.275 123.114 122.820 0.032 0.000 1.986 49 A HA -0.126 4.194 4.320 -0.001 0.000 0.220 49 A C 2.020 179.614 177.584 0.017 0.000 1.171 49 A CA 2.033 54.078 52.037 0.013 0.000 0.640 49 A CB -0.414 18.592 19.000 0.010 0.000 0.811 49 A HN 0.542 nan 8.150 nan 0.000 0.451 50 G N -1.039 107.785 108.800 0.039 0.000 2.534 50 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.217 50 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.217 50 G C 1.264 176.179 174.900 0.026 0.000 1.128 50 G CA 0.736 45.857 45.100 0.036 0.000 0.784 50 G HN 0.666 nan 8.290 nan 0.000 0.542 51 E N 0.179 120.389 120.200 0.017 0.000 2.478 51 E HA 0.046 4.395 4.350 -0.001 0.000 0.194 51 E C 0.792 177.388 176.600 -0.008 0.000 1.045 51 E CA -0.038 56.363 56.400 0.001 0.000 0.868 51 E CB 0.211 29.902 29.700 -0.015 0.000 0.885 51 E HN 0.258 nan 8.360 nan 0.000 0.505 52 N N -0.476 118.220 118.700 -0.006 0.000 2.338 52 N HA 0.099 4.839 4.740 -0.001 0.000 0.251 52 N C 0.485 175.989 175.510 -0.009 0.000 1.199 52 N CA 0.560 53.602 53.050 -0.013 0.000 0.879 52 N CB 1.748 40.222 38.487 -0.021 0.000 1.159 52 N HN 0.227 nan 8.380 nan 0.000 0.514 53 G N -0.365 108.432 108.800 -0.004 0.000 2.253 53 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.209 53 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.209 53 G C 0.008 174.906 174.900 -0.003 0.000 0.997 53 G CA -0.234 44.863 45.100 -0.005 0.000 0.640 53 G HN 0.155 nan 8.290 nan 0.000 0.496 54 V N 1.964 121.877 119.914 -0.002 0.000 2.583 54 V HA 0.452 4.572 4.120 -0.001 0.000 0.287 54 V C 0.342 176.437 176.094 0.001 0.000 1.051 54 V CA 0.016 62.314 62.300 -0.003 0.000 1.010 54 V CB 1.751 33.572 31.823 -0.004 0.000 0.988 54 V HN 0.290 nan 8.190 nan 0.000 0.478 55 D N 3.031 123.430 120.400 -0.002 0.000 2.619 55 D HA 0.136 4.775 4.640 -0.001 0.000 0.224 55 D C 1.129 177.427 176.300 -0.005 0.000 1.133 55 D CA -0.170 53.830 54.000 -0.001 0.000 1.017 55 D CB 0.118 40.917 40.800 -0.002 0.000 1.077 55 D HN 0.639 nan 8.370 nan 0.000 0.503 56 c N 1.702 120.301 118.600 -0.002 0.000 2.403 56 c HA -0.184 4.385 4.570 -0.001 0.000 0.277 56 c C 2.719 176.797 174.090 -0.021 0.000 1.248 56 c CA 1.002 57.323 56.329 -0.013 0.000 1.762 56 c CB -1.081 41.427 42.510 -0.004 0.000 2.014 56 c HN 0.704 nan 8.230 nan 0.000 0.486 57 A N 0.734 123.548 122.820 -0.010 0.000 1.902 57 A HA 0.052 4.371 4.320 -0.001 0.000 0.217 57 A C 2.413 179.989 177.584 -0.014 0.000 1.181 57 A CA 2.130 54.157 52.037 -0.015 0.000 0.623 57 A CB -0.974 18.023 19.000 -0.006 0.000 0.818 57 A HN 0.619 nan 8.150 nan 0.000 0.443 58 A N -0.422 122.392 122.820 -0.011 0.000 2.024 58 A HA -0.023 4.297 4.320 -0.001 0.000 0.220 58 A C 1.884 179.459 177.584 -0.015 0.000 1.164 58 A CA 1.423 53.453 52.037 -0.012 0.000 0.643 58 A CB -0.551 18.444 19.000 -0.010 0.000 0.806 58 A HN 0.490 nan 8.150 nan 0.000 0.451 59 L N -1.190 120.022 121.223 -0.020 0.000 2.612 59 L HA 0.206 4.546 4.340 -0.001 0.000 0.230 59 L C 1.546 178.399 176.870 -0.029 0.000 1.140 59 L CA 0.443 55.267 54.840 -0.026 0.000 0.896 59 L CB -0.330 41.710 42.059 -0.032 0.000 1.065 59 L HN 0.570 nan 8.230 nan 0.000 0.447 60 G N 0.274 109.067 108.800 -0.012 0.000 2.136 60 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.242 60 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.242 60 G C 0.333 175.267 174.900 0.056 0.000 0.989 60 G CA 0.008 45.122 45.100 0.024 0.000 0.682 60 G HN 0.488 nan 8.290 nan 0.000 0.522 61 A N 0.194 122.991 122.820 -0.038 0.000 2.409 61 A HA 0.533 4.853 4.320 -0.001 0.000 0.267 61 A C 0.485 177.913 177.584 -0.261 0.000 1.127 61 A CA 0.404 52.354 52.037 -0.146 0.000 0.795 61 A CB 0.371 19.270 19.000 -0.168 0.000 1.061 61 A HN 0.523 nan 8.150 nan 0.000 0.502 62 D N 2.002 122.096 120.400 -0.510 0.000 2.520 62 D HA -0.044 4.595 4.640 -0.001 0.000 0.243 62 D C 0.190 176.295 176.300 -0.325 0.000 1.160 62 D CA 0.993 54.483 54.000 -0.850 0.000 0.877 62 D CB -0.320 40.012 40.800 -0.779 0.000 1.150 62 D HN 0.562 nan 8.370 nan 0.000 0.494 63 W N 1.990 123.107 121.300 -0.306 0.000 4.551 63 W HA -0.348 4.311 4.660 -0.001 0.000 0.343 63 W C 1.200 177.685 176.519 -0.056 0.000 1.269 63 W CA 0.213 57.492 57.345 -0.110 0.000 0.799 63 W CB -2.086 27.370 29.460 -0.007 0.000 2.352 63 W HN 0.772 nan 8.180 nan 0.000 1.462 64 A N -0.579 122.268 122.820 0.044 0.000 2.704 64 A HA -0.132 4.188 4.320 -0.001 0.000 0.299 64 A C 0.550 178.179 177.584 0.076 0.000 1.507 64 A CA 1.574 53.632 52.037 0.036 0.000 0.776 64 A CB -1.618 17.420 19.000 0.063 0.000 1.027 64 A HN 0.579 nan 8.150 nan 0.000 0.475 65 S N -0.833 114.908 115.700 0.067 0.000 2.478 65 S HA 0.702 5.172 4.470 -0.001 0.000 0.312 65 S C 0.067 174.692 174.600 0.040 0.000 1.094 65 S CA 0.036 58.331 58.200 0.158 0.000 1.081 65 S CB 1.513 64.962 63.200 0.415 0.000 1.007 65 S HN 1.773 nan 8.310 nan 0.000 0.475 66 c N 2.363 121.010 118.600 0.077 0.000 3.241 66 c HA 0.900 5.469 4.570 -0.001 0.000 0.312 66 c C -1.142 172.992 174.090 0.074 0.000 1.350 66 c CA -1.254 55.088 56.329 0.022 0.000 1.415 66 c CB 0.632 43.125 42.510 -0.029 0.000 1.770 66 c HN 0.995 nan 8.230 nan 0.000 0.466 67 N N -0.202 118.531 118.700 0.056 0.000 2.284 67 N HA 0.740 5.480 4.740 -0.001 0.000 0.289 67 N C -1.565 173.957 175.510 0.021 0.000 1.179 67 N CA -0.864 52.228 53.050 0.070 0.000 0.774 67 N CB 1.297 39.867 38.487 0.137 0.000 1.548 67 N HN 0.800 nan 8.380 nan 0.000 0.473 68 R N 0.710 121.208 120.500 -0.003 0.000 2.514 68 R HA 0.725 5.065 4.340 -0.001 0.000 0.301 68 R C -1.197 175.059 176.300 -0.073 0.000 0.962 68 R CA -1.020 55.051 56.100 -0.048 0.000 0.882 68 R CB 1.915 32.183 30.300 -0.054 0.000 1.143 68 R HN 0.348 nan 8.270 nan 0.000 0.452 69 V N 3.491 123.317 119.914 -0.146 0.000 2.925 69 V HA 0.370 4.489 4.120 -0.001 0.000 0.311 69 V C -1.205 174.676 176.094 -0.354 0.000 1.104 69 V CA -0.956 61.215 62.300 -0.217 0.000 0.954 69 V CB 2.452 34.156 31.823 -0.198 0.000 1.022 69 V HN 0.504 nan 8.190 nan 0.000 0.427 70 L N 4.112 125.159 121.223 -0.293 0.000 2.280 70 L HA 0.674 5.014 4.340 -0.001 0.000 0.287 70 L C -1.297 175.479 176.870 -0.157 0.000 1.023 70 L CA 0.184 54.885 54.840 -0.232 0.000 0.819 70 L CB 0.818 42.803 42.059 -0.123 0.000 1.212 70 L HN 0.429 nan 8.230 nan 0.000 0.420 71 F N 3.044 122.945 119.950 -0.082 0.000 2.391 71 F HA 0.508 5.034 4.527 -0.002 0.000 0.359 71 F C 0.583 176.303 175.800 -0.134 0.000 1.122 71 F CA -0.719 57.204 58.000 -0.129 0.000 1.120 71 F CB 1.336 40.286 39.000 -0.084 0.000 1.142 71 F HN 0.349 nan 8.300 nan 0.000 0.483 72 T N 5.436 120.005 114.554 0.025 0.000 2.771 72 T HA 0.583 4.933 4.350 -0.001 0.000 0.281 72 T C -0.214 174.429 174.700 -0.095 0.000 0.982 72 T CA -0.488 61.599 62.100 -0.022 0.000 0.978 72 T CB 0.806 69.658 68.868 -0.025 0.000 0.930 72 T HN 0.318 nan 8.240 nan 0.000 0.447 73 L N 3.110 124.298 121.223 -0.059 0.000 2.324 73 L HA 0.408 4.747 4.340 -0.001 0.000 0.274 73 L C 0.180 177.011 176.870 -0.065 0.000 1.012 73 L CA -0.557 54.205 54.840 -0.130 0.000 0.859 73 L CB 1.248 43.218 42.059 -0.148 0.000 1.224 73 L HN 0.580 nan 8.230 nan 0.000 0.429 74 S N 2.195 117.839 115.700 -0.092 0.000 2.525 74 S HA 0.301 4.771 4.470 -0.001 0.000 0.278 74 S C -0.182 174.375 174.600 -0.073 0.000 1.234 74 S CA -0.493 57.677 58.200 -0.050 0.000 1.058 74 S CB 1.050 64.221 63.200 -0.048 0.000 0.983 74 S HN 0.550 nan 8.310 nan 0.000 0.495 75 N N 1.891 120.576 118.700 -0.025 0.000 2.569 75 N HA 0.200 4.939 4.740 -0.001 0.000 0.254 75 N C -0.397 175.104 175.510 -0.015 0.000 1.004 75 N CA -0.764 52.264 53.050 -0.038 0.000 0.904 75 N CB 0.949 39.434 38.487 -0.005 0.000 1.165 75 N HN 0.553 nan 8.380 nan 0.000 0.513 76 D N 1.350 121.733 120.400 -0.028 0.000 2.319 76 D HA 0.169 4.808 4.640 -0.001 0.000 0.230 76 D C 0.612 176.905 176.300 -0.011 0.000 1.094 76 D CA -0.248 53.742 54.000 -0.015 0.000 0.856 76 D CB -0.098 40.690 40.800 -0.021 0.000 0.915 76 D HN 0.468 nan 8.370 nan 0.000 0.517 77 G N -0.149 108.644 108.800 -0.011 0.000 3.016 77 G HA2 0.431 4.391 3.960 -0.001 0.000 0.270 77 G HA3 0.431 4.391 3.960 -0.001 0.000 0.270 77 G C -0.377 174.530 174.900 0.012 0.000 1.352 77 G CA -0.830 44.267 45.100 -0.004 0.000 1.060 77 G HN 0.311 nan 8.290 nan 0.000 0.538 78 Q N -0.623 119.187 119.800 0.016 0.000 2.535 78 Q HA 0.521 4.860 4.340 -0.001 0.000 0.228 78 Q C 0.355 176.382 176.000 0.045 0.000 1.062 78 Q CA -0.143 55.676 55.803 0.027 0.000 0.967 78 Q CB 0.541 29.294 28.738 0.026 0.000 1.273 78 Q HN 0.663 nan 8.270 nan 0.000 0.554 79 A N 1.909 124.761 122.820 0.053 0.000 2.565 79 A HA 0.185 4.505 4.320 -0.001 0.000 0.237 79 A C 0.004 177.653 177.584 0.109 0.000 1.053 79 A CA -0.082 52.003 52.037 0.079 0.000 0.755 79 A CB -0.350 18.683 19.000 0.054 0.000 0.980 79 A HN 0.665 nan 8.150 nan 0.000 0.506 80 I N 2.601 123.283 120.570 0.187 0.000 2.361 80 I HA 0.181 4.351 4.170 -0.001 0.000 0.282 80 I C -0.410 175.896 176.117 0.315 0.000 1.075 80 I CA -0.190 61.258 61.300 0.247 0.000 1.205 80 I CB 0.805 38.980 38.000 0.293 0.000 1.406 80 I HN 0.580 nan 8.210 nan 0.000 0.481 81 D N 3.884 124.415 120.400 0.219 0.000 2.369 81 D HA 0.097 4.737 4.640 -0.001 0.000 0.211 81 D C 1.283 177.780 176.300 0.328 0.000 1.077 81 D CA 0.187 54.304 54.000 0.197 0.000 0.842 81 D CB 0.652 41.494 40.800 0.069 0.000 0.947 81 D HN 0.562 nan 8.370 nan 0.000 0.509 82 G N 0.649 109.664 108.800 0.359 0.000 2.614 82 G HA2 0.041 4.001 3.960 -0.001 0.000 0.239 82 G HA3 0.041 4.001 3.960 -0.001 0.000 0.239 82 G C 0.782 176.028 174.900 0.576 0.000 1.240 82 G CA -0.250 45.074 45.100 0.373 0.000 0.842 82 G HN 0.047 nan 8.290 nan 0.000 0.584 83 K N -0.561 120.051 120.400 0.353 0.000 2.380 83 K HA 0.055 4.375 4.320 -0.001 0.000 0.198 83 K C 0.279 176.828 176.600 -0.084 0.000 1.070 83 K CA -0.144 56.232 56.287 0.149 0.000 1.040 83 K CB 0.744 33.294 32.500 0.083 0.000 0.903 83 K HN 0.441 nan 8.250 nan 0.000 0.549 84 D N 2.385 122.852 120.400 0.111 0.000 2.801 84 D HA -0.030 4.610 4.640 -0.001 0.000 0.232 84 D C -0.823 175.580 176.300 0.172 0.000 1.128 84 D CA -0.186 53.854 54.000 0.065 0.000 1.003 84 D CB -0.111 40.749 40.800 0.101 0.000 1.110 84 D HN 0.193 nan 8.370 nan 0.000 0.477 85 W N 0.583 121.892 121.300 0.015 0.000 3.083 85 W HA 0.633 5.293 4.660 -0.001 0.000 0.333 85 W C -1.864 174.642 176.519 -0.021 0.000 1.217 85 W CA -1.115 56.242 57.345 0.021 0.000 1.170 85 W CB 0.452 29.939 29.460 0.046 0.000 1.437 85 W HN -0.315 nan 8.180 nan 0.000 0.557 86 V N 2.646 122.781 119.914 0.369 0.000 2.709 86 V HA 0.488 4.607 4.120 -0.001 0.000 0.308 86 V C -0.479 175.743 176.094 0.213 0.000 1.062 86 V CA -0.917 61.459 62.300 0.126 0.000 0.901 86 V CB 2.256 33.998 31.823 -0.135 0.000 1.003 86 V HN 0.508 nan 8.190 nan 0.000 0.425 87 I N 3.855 124.500 120.570 0.125 0.000 2.406 87 I HA 0.477 4.646 4.170 -0.001 0.000 0.290 87 I C -1.140 174.798 176.117 -0.298 0.000 0.999 87 I CA -0.423 60.894 61.300 0.029 0.000 1.124 87 I CB 1.562 39.677 38.000 0.191 0.000 1.289 87 I HN 0.510 nan 8.210 nan 0.000 0.441 88 Y N 6.486 126.480 120.300 -0.510 0.000 2.387 88 Y HA 0.615 5.164 4.550 -0.001 0.000 0.330 88 Y C -0.165 175.288 175.900 -0.744 0.000 1.133 88 Y CA -0.408 57.240 58.100 -0.754 0.000 1.152 88 Y CB 1.472 39.172 38.460 -1.267 0.000 1.215 88 Y HN 0.431 nan 8.280 nan 0.000 0.466 89 F N -0.701 118.804 119.950 -0.743 0.000 2.662 89 F HA 0.617 5.144 4.527 0.001 0.000 0.312 89 F C -1.500 173.940 175.800 -0.601 0.000 1.113 89 F CA -1.194 56.209 58.000 -0.995 0.000 0.951 89 F CB 1.459 39.222 39.000 -2.061 0.000 1.344 89 F HN 0.357 nan 8.300 nan 0.000 0.462 90 H N 0.486 119.537 119.070 -0.032 0.000 2.573 90 H HA 0.750 5.306 4.556 -0.001 0.000 0.351 90 H C -1.106 174.374 175.328 0.253 0.000 1.163 90 H CA -0.755 55.338 56.048 0.076 0.000 1.205 90 H CB 2.038 31.884 29.762 0.140 0.000 1.605 90 H HN 0.757 nan 8.280 nan 0.000 0.525 91 S N 1.372 117.277 115.700 0.341 0.000 2.542 91 S HA 0.202 4.672 4.470 -0.001 0.000 0.276 91 S C -2.380 172.355 174.600 0.224 0.000 1.148 91 S CA -1.104 57.266 58.200 0.283 0.000 0.886 91 S CB 1.780 65.101 63.200 0.201 0.000 1.109 91 S HN 0.430 nan 8.310 nan 0.000 0.458 92 P HA 0.177 nan 4.420 nan 0.000 0.249 92 P C -0.333 177.032 177.300 0.108 0.000 1.229 92 P CA 0.086 63.297 63.100 0.185 0.000 0.788 92 P CB 0.107 31.887 31.700 0.134 0.000 1.072 93 R N 0.417 120.929 120.500 0.020 0.000 2.637 93 R HA 0.385 4.725 4.340 -0.001 0.000 0.291 93 R C 0.425 176.564 176.300 -0.268 0.000 0.963 93 R CA -0.702 55.361 56.100 -0.061 0.000 0.901 93 R CB 0.953 31.234 30.300 -0.032 0.000 1.160 93 R HN 0.172 nan 8.270 nan 0.000 0.457 94 Q N 1.012 120.581 119.800 -0.386 0.000 2.288 94 Q HA 0.187 4.527 4.340 -0.001 0.000 0.254 94 Q C -0.289 175.517 176.000 -0.324 0.000 0.932 94 Q CA 0.126 55.642 55.803 -0.478 0.000 0.902 94 Q CB 1.036 29.419 28.738 -0.590 0.000 1.203 94 Q HN 0.357 nan 8.270 nan 0.000 0.415 95 T N 3.333 117.689 114.554 -0.331 0.000 2.814 95 T HA 0.178 4.527 4.350 -0.001 0.000 0.297 95 T C 1.183 175.840 174.700 -0.072 0.000 0.956 95 T CA 0.022 62.046 62.100 -0.127 0.000 1.123 95 T CB 0.308 69.162 68.868 -0.024 0.000 0.902 95 T HN 0.429 nan 8.240 nan 0.000 0.528 96 L N 2.360 123.547 121.223 -0.059 0.000 2.575 96 L HA 0.423 4.762 4.340 -0.001 0.000 0.228 96 L C 1.118 177.976 176.870 -0.020 0.000 1.075 96 L CA 0.162 54.971 54.840 -0.051 0.000 0.867 96 L CB 0.306 42.324 42.059 -0.068 0.000 1.097 96 L HN 0.430 nan 8.230 nan 0.000 0.485 97 R N -0.534 119.962 120.500 -0.007 0.000 2.692 97 R HA 0.617 4.956 4.340 -0.001 0.000 0.269 97 R C -1.988 174.327 176.300 0.025 0.000 1.030 97 R CA -0.487 55.618 56.100 0.007 0.000 0.882 97 R CB 2.760 33.057 30.300 -0.005 0.000 1.250 97 R HN -0.269 nan 8.270 nan 0.000 0.465 98 V N 2.497 122.438 119.914 0.044 0.000 2.577 98 V HA 0.287 4.407 4.120 -0.001 0.000 0.303 98 V C -0.924 175.210 176.094 0.067 0.000 1.042 98 V CA -0.617 61.727 62.300 0.073 0.000 0.872 98 V CB 1.892 33.790 31.823 0.125 0.000 0.998 98 V HN 0.791 nan 8.190 nan 0.000 0.423 99 D N 2.797 123.232 120.400 0.059 0.000 2.427 99 D HA 0.149 4.789 4.640 -0.001 0.000 0.224 99 D C 0.122 176.470 176.300 0.080 0.000 1.157 99 D CA 0.304 54.334 54.000 0.050 0.000 0.828 99 D CB 0.326 41.136 40.800 0.017 0.000 0.974 99 D HN 0.444 nan 8.370 nan 0.000 0.498 100 N N 1.587 120.370 118.700 0.139 0.000 2.540 100 N HA -0.017 4.722 4.740 -0.001 0.000 0.275 100 N C 0.220 175.844 175.510 0.190 0.000 1.053 100 N CA -0.357 52.809 53.050 0.192 0.000 0.876 100 N CB 1.529 40.202 38.487 0.310 0.000 1.284 100 N HN -0.217 nan 8.380 nan 0.000 0.518 101 D N 2.473 122.929 120.400 0.093 0.000 2.392 101 D HA -0.125 4.514 4.640 -0.001 0.000 0.228 101 D C 0.469 176.755 176.300 -0.022 0.000 1.003 101 D CA 0.859 54.883 54.000 0.039 0.000 0.917 101 D CB 0.191 40.999 40.800 0.013 0.000 0.890 101 D HN 0.611 nan 8.370 nan 0.000 0.532 102 Q N -1.121 118.642 119.800 -0.061 0.000 2.451 102 Q HA 0.125 4.464 4.340 -0.001 0.000 0.206 102 Q C -0.361 175.234 176.000 -0.674 0.000 0.947 102 Q CA 0.403 55.989 55.803 -0.361 0.000 0.937 102 Q CB 0.263 28.691 28.738 -0.517 0.000 1.025 102 Q HN 0.281 nan 8.270 nan 0.000 0.511 103 F N 0.324 120.323 119.950 0.081 0.000 2.603 103 F HA 0.405 4.931 4.527 -0.002 0.000 0.317 103 F C -0.453 175.370 175.800 0.038 0.000 1.066 103 F CA -1.133 56.902 58.000 0.059 0.000 0.941 103 F CB 1.583 40.667 39.000 0.140 0.000 1.291 103 F HN -0.288 nan 8.300 nan 0.000 0.472 104 K N 1.064 121.590 120.400 0.210 0.000 2.508 104 K HA 0.868 5.187 4.320 -0.001 0.000 0.260 104 K C -1.861 174.819 176.600 0.134 0.000 0.949 104 K CA -0.755 55.606 56.287 0.124 0.000 0.834 104 K CB 2.948 35.468 32.500 0.033 0.000 1.365 104 K HN 0.606 nan 8.250 nan 0.000 0.437 105 I N 1.005 121.654 120.570 0.131 0.000 2.608 105 I HA 0.628 4.798 4.170 -0.001 0.000 0.295 105 I C -0.969 175.212 176.117 0.106 0.000 1.049 105 I CA -0.703 60.689 61.300 0.153 0.000 1.063 105 I CB 2.272 40.430 38.000 0.262 0.000 1.248 105 I HN 0.965 nan 8.210 nan 0.000 0.424 106 A N 4.288 127.151 122.820 0.072 0.000 2.532 106 A HA 0.572 4.892 4.320 -0.001 0.000 0.290 106 A C -1.550 176.055 177.584 0.035 0.000 1.143 106 A CA -0.503 51.564 52.037 0.049 0.000 0.728 106 A CB 1.619 20.610 19.000 -0.016 0.000 1.317 106 A HN 0.802 nan 8.150 nan 0.000 0.414 107 H N 1.110 120.078 119.070 -0.169 0.000 2.458 107 H HA 0.558 5.113 4.556 -0.001 0.000 0.330 107 H C -0.208 174.913 175.328 -0.345 0.000 1.111 107 H CA -0.696 55.072 56.048 -0.466 0.000 1.245 107 H CB 1.003 30.519 29.762 -0.410 0.000 1.456 107 H HN 0.544 nan 8.280 nan 0.000 0.488 108 L N 2.354 123.175 121.223 -0.671 0.000 2.228 108 L HA 0.179 4.519 4.340 -0.001 0.000 0.196 108 L C 0.823 177.188 176.870 -0.841 0.000 1.162 108 L CA 0.476 55.009 54.840 -0.512 0.000 0.801 108 L CB -0.252 41.636 42.059 -0.285 0.000 0.983 108 L HN 0.522 nan 8.230 nan 0.000 0.471 109 T N -1.997 112.023 114.554 -0.891 0.000 2.786 109 T HA 0.481 4.830 4.350 -0.001 0.000 0.316 109 T C -0.159 174.187 174.700 -0.589 0.000 1.503 109 T CA 0.235 61.874 62.100 -0.768 0.000 1.019 109 T CB 1.347 70.091 68.868 -0.206 0.000 1.415 109 T HN 0.749 nan 8.240 nan 0.000 0.496 110 G N 3.084 111.410 108.800 -0.790 0.000 2.611 110 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.301 110 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.301 110 G C 0.419 175.154 174.900 -0.275 0.000 1.233 110 G CA 1.258 45.630 45.100 -1.212 0.000 0.993 110 G HN 1.169 nan 8.290 nan 0.000 0.553 111 D N 0.252 120.539 120.400 -0.189 0.000 2.328 111 D HA 0.313 4.953 4.640 -0.001 0.000 0.221 111 D C 0.923 177.304 176.300 0.135 0.000 1.072 111 D CA 0.052 54.111 54.000 0.099 0.000 0.850 111 D CB 0.107 40.942 40.800 0.058 0.000 0.922 111 D HN 0.492 nan 8.370 nan 0.000 0.516 112 L N 1.209 122.335 121.223 -0.161 0.000 2.276 112 L HA 0.384 4.724 4.340 -0.001 0.000 0.286 112 L C -1.438 175.024 176.870 -0.680 0.000 1.061 112 L CA -0.541 54.123 54.840 -0.293 0.000 0.807 112 L CB 0.478 42.432 42.059 -0.173 0.000 1.177 112 L HN -0.118 nan 8.230 nan 0.000 0.429 113 Y N 3.466 123.401 120.300 -0.608 0.000 2.536 113 Y HA 0.606 5.155 4.550 -0.001 0.000 0.347 113 Y C -0.403 175.076 175.900 -0.701 0.000 1.000 113 Y CA -0.923 56.764 58.100 -0.689 0.000 1.051 113 Y CB 1.693 39.505 38.460 -1.080 0.000 1.259 113 Y HN 0.506 nan 8.280 nan 0.000 0.468 114 K N 1.685 121.879 120.400 -0.343 0.000 2.324 114 K HA 0.709 5.028 4.320 -0.001 0.000 0.253 114 K C -1.849 174.669 176.600 -0.137 0.000 0.932 114 K CA -0.983 55.032 56.287 -0.453 0.000 0.799 114 K CB 2.491 34.583 32.500 -0.680 0.000 1.154 114 K HN 0.525 nan 8.250 nan 0.000 0.425 115 L N 1.795 122.999 121.223 -0.032 0.000 2.272 115 L HA 0.407 4.746 4.340 -0.001 0.000 0.289 115 L C -1.048 175.886 176.870 0.106 0.000 1.032 115 L CA 0.388 55.324 54.840 0.160 0.000 0.810 115 L CB 1.039 43.264 42.059 0.276 0.000 1.205 115 L HN 0.793 nan 8.230 nan 0.000 0.422 116 E N 5.731 125.935 120.200 0.006 0.000 2.392 116 E HA 0.540 4.890 4.350 -0.001 0.000 0.269 116 E C -2.688 173.705 176.600 -0.346 0.000 0.924 116 E CA -2.187 54.004 56.400 -0.350 0.000 0.784 116 E CB 1.934 31.434 29.700 -0.332 0.000 1.292 116 E HN 0.422 nan 8.360 nan 0.000 0.447 117 P HA 0.025 nan 4.420 nan 0.000 0.279 117 P C -0.387 176.663 177.300 -0.418 0.000 1.239 117 P CA -0.195 62.444 63.100 -0.769 0.000 0.789 117 P CB 0.928 31.866 31.700 -1.269 0.000 0.933 118 T N -1.212 113.177 114.554 -0.274 0.000 2.880 118 T HA 0.479 4.829 4.350 -0.001 0.000 0.279 118 T C 1.526 176.162 174.700 -0.106 0.000 0.990 118 T CA -0.185 61.820 62.100 -0.158 0.000 0.938 118 T CB 0.266 69.069 68.868 -0.109 0.000 1.206 118 T HN 0.291 nan 8.240 nan 0.000 0.573 119 A N 0.077 122.851 122.820 -0.077 0.000 2.070 119 A HA -0.013 4.306 4.320 -0.001 0.000 0.220 119 A C 2.078 179.637 177.584 -0.042 0.000 1.159 119 A CA 1.046 53.054 52.037 -0.050 0.000 0.656 119 A CB -0.788 18.185 19.000 -0.045 0.000 0.800 119 A HN 0.833 nan 8.150 nan 0.000 0.453 120 K N -1.320 119.046 120.400 -0.057 0.000 2.444 120 K HA 0.105 4.424 4.320 -0.001 0.000 0.193 120 K C 0.011 176.554 176.600 -0.095 0.000 1.024 120 K CA -0.398 55.847 56.287 -0.070 0.000 1.077 120 K CB -0.100 32.357 32.500 -0.071 0.000 0.833 120 K HN 0.465 nan 8.250 nan 0.000 0.517 121 F N 2.568 122.359 119.950 -0.264 0.000 2.608 121 F HA -0.123 4.404 4.527 0.000 0.000 0.380 121 F C 0.891 176.571 175.800 -0.199 0.000 1.083 121 F CA 0.131 57.924 58.000 -0.345 0.000 1.266 121 F CB 0.643 39.414 39.000 -0.381 0.000 1.076 121 F HN -0.065 nan 8.300 nan 0.000 0.574 122 S N 3.762 118.944 115.700 -0.863 0.000 2.754 122 S HA 0.583 5.053 4.470 -0.001 0.000 0.247 122 S C 0.320 174.409 174.600 -0.851 0.000 1.031 122 S CA -0.087 57.711 58.200 -0.670 0.000 1.014 122 S CB -0.465 62.534 63.200 -0.334 0.000 0.918 122 S HN 1.758 nan 8.310 nan 0.000 0.519 123 G N 0.950 108.684 108.800 -1.776 0.000 2.663 123 G HA2 -0.002 3.958 3.960 -0.001 0.000 0.686 123 G HA3 -0.002 3.958 3.960 -0.001 0.000 0.686 123 G C -0.937 173.706 174.900 -0.429 0.000 1.246 123 G CA -1.150 43.389 45.100 -0.934 0.000 0.795 123 G HN 0.290 nan 8.290 nan 0.000 0.627 124 F N 1.889 121.921 119.950 0.136 0.000 2.335 124 F HA 0.443 4.969 4.527 -0.003 0.000 0.365 124 F C -1.491 174.344 175.800 0.059 0.000 1.122 124 F CA -1.667 56.431 58.000 0.163 0.000 1.151 124 F CB 1.440 40.541 39.000 0.168 0.000 1.282 124 F HN 0.182 nan 8.300 nan 0.000 0.513 125 P HA 0.055 nan 4.420 nan 0.000 0.269 125 P C -0.451 176.904 177.300 0.092 0.000 1.209 125 P CA -0.299 62.852 63.100 0.084 0.000 0.776 125 P CB 0.622 32.348 31.700 0.043 0.000 0.876 126 A N 2.906 125.762 122.820 0.060 0.000 2.548 126 A HA 0.395 4.714 4.320 -0.001 0.000 0.247 126 A C 1.469 179.075 177.584 0.038 0.000 1.067 126 A CA 0.644 52.708 52.037 0.046 0.000 0.757 126 A CB -1.502 17.516 19.000 0.031 0.000 0.996 126 A HN 0.903 nan 8.150 nan 0.000 0.504 127 G N 1.284 110.103 108.800 0.032 0.000 2.198 127 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.260 127 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.260 127 G C 0.041 174.959 174.900 0.031 0.000 1.025 127 G CA 1.069 46.182 45.100 0.023 0.000 0.769 127 G HN 0.869 nan 8.290 nan 0.000 0.507 128 K N -0.573 119.857 120.400 0.050 0.000 2.350 128 K HA 0.867 5.186 4.320 -0.001 0.000 0.241 128 K C 0.042 176.686 176.600 0.073 0.000 0.994 128 K CA 0.087 56.411 56.287 0.061 0.000 0.839 128 K CB 1.910 34.455 32.500 0.076 0.000 1.244 128 K HN 0.719 nan 8.250 nan 0.000 0.443 129 A N 1.306 124.166 122.820 0.068 0.000 2.273 129 A HA 0.553 4.872 4.320 -0.001 0.000 0.315 129 A C -0.928 176.719 177.584 0.106 0.000 1.256 129 A CA -0.629 51.446 52.037 0.064 0.000 0.851 129 A CB 0.542 19.560 19.000 0.029 0.000 1.172 129 A HN 0.360 nan 8.150 nan 0.000 0.508 130 V N 3.129 123.140 119.914 0.162 0.000 2.481 130 V HA 0.278 4.397 4.120 -0.001 0.000 0.286 130 V C 0.121 176.290 176.094 0.125 0.000 1.042 130 V CA -0.373 62.049 62.300 0.202 0.000 0.928 130 V CB 1.460 33.505 31.823 0.371 0.000 0.986 130 V HN 0.943 nan 8.190 nan 0.000 0.462 131 E N 4.982 125.247 120.200 0.108 0.000 2.166 131 E HA 0.558 4.908 4.350 -0.001 0.000 0.275 131 E C -1.012 175.632 176.600 0.073 0.000 0.941 131 E CA -0.450 55.989 56.400 0.065 0.000 0.784 131 E CB 2.199 31.925 29.700 0.044 0.000 1.115 131 E HN 0.530 nan 8.360 nan 0.000 0.399 132 I N 4.171 124.768 120.570 0.045 0.000 2.698 132 I HA 0.218 4.388 4.170 -0.001 0.000 0.276 132 I C -2.474 173.641 176.117 -0.003 0.000 1.166 132 I CA -2.226 59.105 61.300 0.051 0.000 1.101 132 I CB 0.990 38.993 38.000 0.005 0.000 1.305 132 I HN 0.150 nan 8.210 nan 0.000 0.526 133 P HA 0.179 nan 4.420 nan 0.000 0.271 133 P C -0.418 176.814 177.300 -0.113 0.000 1.216 133 P CA -0.032 63.004 63.100 -0.107 0.000 0.776 133 P CB 1.258 32.922 31.700 -0.060 0.000 0.881 134 V N 0.613 120.402 119.914 -0.208 0.000 3.159 134 V HA 0.657 4.776 4.120 -0.001 0.000 0.308 134 V C -0.880 175.144 176.094 -0.117 0.000 1.190 134 V CA -1.093 61.124 62.300 -0.139 0.000 1.037 134 V CB 2.117 33.832 31.823 -0.179 0.000 1.060 134 V HN 0.187 nan 8.190 nan 0.000 0.437 135 V N 1.903 121.779 119.914 -0.063 0.000 2.435 135 V HA 0.909 5.028 4.120 -0.001 0.000 0.290 135 V C 0.570 176.636 176.094 -0.047 0.000 1.030 135 V CA 0.350 62.621 62.300 -0.049 0.000 0.881 135 V CB 1.188 32.989 31.823 -0.035 0.000 0.983 135 V HN 1.482 nan 8.190 nan 0.000 0.445 136 A N 3.251 126.049 122.820 -0.037 0.000 2.384 136 A HA 0.718 5.038 4.320 -0.001 0.000 0.312 136 A C -0.296 177.243 177.584 -0.075 0.000 1.113 136 A CA -0.694 51.313 52.037 -0.049 0.000 0.779 136 A CB 1.151 20.152 19.000 0.001 0.000 1.307 136 A HN 0.836 nan 8.150 nan 0.000 0.436 137 E N 0.258 120.373 120.200 -0.141 0.000 2.398 137 E HA 0.372 4.721 4.350 -0.001 0.000 0.263 137 E C -0.512 175.971 176.600 -0.196 0.000 1.046 137 E CA 0.400 56.644 56.400 -0.260 0.000 0.908 137 E CB 0.103 29.571 29.700 -0.387 0.000 0.963 137 E HN 0.608 nan 8.360 nan 0.000 0.431 138 Y N -0.714 119.424 120.300 -0.268 0.000 2.904 138 Y HA -0.328 4.222 4.550 -0.001 0.000 0.466 138 Y C -0.378 175.392 175.900 -0.216 0.000 1.203 138 Y CA 1.824 59.536 58.100 -0.646 0.000 2.489 138 Y CB -1.312 36.432 38.460 -1.192 0.000 1.237 138 Y HN 0.787 nan 8.280 nan 0.000 0.633 139 W N -0.507 120.979 121.300 0.310 0.000 3.137 139 W HA 0.760 5.419 4.660 -0.002 0.000 0.324 139 W C -1.826 174.855 176.519 0.271 0.000 1.253 139 W CA -1.121 56.365 57.345 0.235 0.000 1.183 139 W CB 1.143 30.739 29.460 0.226 0.000 1.424 139 W HN 0.274 nan 8.180 nan 0.000 0.566 140 Q N 2.230 122.325 119.800 0.493 0.000 2.616 140 Q HA 0.301 4.640 4.340 -0.001 0.000 0.250 140 Q C 0.355 176.691 176.000 0.560 0.000 0.991 140 Q CA -0.400 55.666 55.803 0.439 0.000 0.707 140 Q CB 1.494 30.336 28.738 0.172 0.000 1.247 140 Q HN 0.626 nan 8.270 nan 0.000 0.491 141 L N 0.673 122.189 121.223 0.489 0.000 2.492 141 L HA 0.213 4.553 4.340 -0.001 0.000 0.223 141 L C -0.132 176.591 176.870 -0.246 0.000 1.132 141 L CA 0.782 55.732 54.840 0.184 0.000 0.850 141 L CB 0.152 42.140 42.059 -0.117 0.000 0.966 141 L HN 0.378 nan 8.230 nan 0.000 0.454 142 F N -1.375 118.506 119.950 -0.115 0.000 2.540 142 F HA 0.399 4.925 4.527 -0.000 0.000 0.317 142 F C 1.313 177.008 175.800 -0.176 0.000 1.104 142 F CA -0.945 56.916 58.000 -0.233 0.000 0.913 142 F CB 1.356 40.281 39.000 -0.124 0.000 1.170 142 F HN -0.327 nan 8.300 nan 0.000 0.450 143 R N 0.482 120.878 120.500 -0.174 0.000 2.152 143 R HA -0.188 4.151 4.340 -0.001 0.000 0.232 143 R C 1.545 177.982 176.300 0.228 0.000 1.117 143 R CA 1.313 57.443 56.100 0.049 0.000 0.981 143 R CB -0.291 29.965 30.300 -0.073 0.000 0.870 143 R HN 0.587 nan 8.270 nan 0.000 0.451 144 N N 0.941 119.764 118.700 0.205 0.000 2.519 144 N HA -0.149 4.590 4.740 -0.001 0.000 0.186 144 N C 0.792 176.456 175.510 0.255 0.000 1.062 144 N CA 1.007 54.197 53.050 0.234 0.000 0.910 144 N CB -0.028 38.596 38.487 0.228 0.000 0.958 144 N HN 0.101 nan 8.380 nan 0.000 0.445 145 D N -0.722 119.774 120.400 0.160 0.000 2.219 145 D HA -0.082 4.557 4.640 -0.001 0.000 0.205 145 D C -0.377 175.862 176.300 -0.101 0.000 0.970 145 D CA 0.664 54.663 54.000 -0.001 0.000 0.851 145 D CB -0.120 40.540 40.800 -0.233 0.000 0.943 145 D HN 0.234 nan 8.370 nan 0.000 0.488 146 F N 0.974 121.142 119.950 0.364 0.000 2.421 146 F HA 0.281 4.808 4.527 0.001 0.000 0.358 146 F C 0.744 176.854 175.800 0.517 0.000 1.115 146 F CA -0.472 57.789 58.000 0.436 0.000 1.160 146 F CB 0.469 39.697 39.000 0.381 0.000 1.123 146 F HN -0.303 nan 8.300 nan 0.000 0.508 147 L N 6.107 127.760 121.223 0.716 0.000 2.357 147 L HA 0.465 4.804 4.340 -0.001 0.000 0.273 147 L C -1.895 175.384 176.870 0.681 0.000 1.080 147 L CA -1.895 53.321 54.840 0.627 0.000 0.803 147 L CB 1.395 43.764 42.059 0.515 0.000 1.174 147 L HN 0.376 nan 8.230 nan 0.000 0.443 148 P HA 0.199 nan 4.420 nan 0.000 0.293 148 P C -1.007 176.430 177.300 0.227 0.000 1.304 148 P CA -0.482 62.697 63.100 0.133 0.000 0.767 148 P CB 0.547 32.356 31.700 0.181 0.000 1.247 149 R N -3.031 117.527 120.500 0.096 0.000 3.261 149 R HA -0.137 4.202 4.340 -0.001 0.000 0.257 149 R C -0.796 175.759 176.300 0.426 0.000 1.014 149 R CA 0.280 56.515 56.100 0.225 0.000 0.681 149 R CB -2.616 27.811 30.300 0.210 0.000 1.155 149 R HN 0.479 nan 8.270 nan 0.000 0.424 150 W N 1.465 122.788 121.300 0.037 0.000 2.137 150 W HA 0.295 4.955 4.660 0.001 0.000 0.344 150 W C 1.103 177.705 176.519 0.139 0.000 1.286 150 W CA 0.287 57.665 57.345 0.055 0.000 1.240 150 W CB 0.071 29.476 29.460 -0.091 0.000 1.141 150 W HN 0.281 nan 8.180 nan 0.000 0.579 151 Y N -0.425 119.998 120.300 0.205 0.000 2.571 151 Y HA 0.838 5.388 4.550 -0.001 0.000 0.341 151 Y C -0.880 175.096 175.900 0.127 0.000 1.076 151 Y CA -2.389 55.781 58.100 0.116 0.000 1.029 151 Y CB 0.603 39.094 38.460 0.051 0.000 1.308 151 Y HN 0.545 nan 8.280 nan 0.000 0.461 152 A N 1.665 124.632 122.820 0.245 0.000 2.340 152 A HA 0.912 5.231 4.320 -0.001 0.000 0.331 152 A C -0.372 177.341 177.584 0.215 0.000 1.140 152 A CA -0.136 52.003 52.037 0.171 0.000 0.801 152 A CB 1.053 20.084 19.000 0.052 0.000 1.234 152 A HN 1.266 nan 8.150 nan 0.000 0.469 153 T N -1.768 112.926 114.554 0.232 0.000 2.864 153 T HA 0.816 5.166 4.350 -0.001 0.000 0.299 153 T C -0.498 174.346 174.700 0.239 0.000 1.166 153 T CA -0.352 61.882 62.100 0.223 0.000 1.007 153 T CB 1.586 70.619 68.868 0.275 0.000 1.219 153 T HN 1.728 nan 8.240 nan 0.000 0.506 154 S N -0.466 115.353 115.700 0.199 0.000 2.558 154 S HA 0.593 5.063 4.470 -0.001 0.000 0.277 154 S C 0.294 174.980 174.600 0.144 0.000 1.143 154 S CA -0.118 58.197 58.200 0.191 0.000 0.865 154 S CB 0.875 64.192 63.200 0.195 0.000 1.102 154 S HN 1.870 nan 8.310 nan 0.000 0.454 155 G N 3.943 112.816 108.800 0.122 0.000 2.862 155 G HA2 0.084 4.043 3.960 -0.001 0.000 0.303 155 G HA3 0.084 4.043 3.960 -0.001 0.000 0.303 155 G C 0.895 175.848 174.900 0.087 0.000 0.335 155 G CA 1.343 46.501 45.100 0.095 0.000 1.186 155 G HN 1.512 nan 8.290 nan 0.000 0.190 156 D N -0.028 120.423 120.400 0.086 0.000 2.824 156 D HA -0.355 4.284 4.640 -0.001 0.000 0.192 156 D C 0.957 177.302 176.300 0.074 0.000 1.117 156 D CA 2.068 56.113 54.000 0.075 0.000 1.001 156 D CB -1.536 39.299 40.800 0.058 0.000 1.055 156 D HN 1.565 nan 8.370 nan 0.000 0.390 157 A N 0.695 123.563 122.820 0.080 0.000 2.609 157 A HA 0.202 4.521 4.320 -0.001 0.000 0.235 157 A C 0.701 178.328 177.584 0.072 0.000 1.092 157 A CA 0.692 52.773 52.037 0.073 0.000 0.780 157 A CB 0.302 19.353 19.000 0.084 0.000 1.031 157 A HN 0.218 nan 8.150 nan 0.000 0.515 158 K N 0.755 121.189 120.400 0.057 0.000 2.174 158 K HA 0.440 4.760 4.320 -0.001 0.000 0.275 158 K C -2.645 173.981 176.600 0.043 0.000 1.015 158 K CA -2.179 54.136 56.287 0.047 0.000 0.933 158 K CB 0.344 32.862 32.500 0.031 0.000 1.025 158 K HN 0.351 nan 8.250 nan 0.000 0.463 159 P HA 0.149 nan 4.420 nan 0.000 0.268 159 P C -0.762 176.545 177.300 0.012 0.000 1.205 159 P CA 0.057 63.167 63.100 0.017 0.000 0.771 159 P CB 0.577 32.196 31.700 -0.135 0.000 0.858 160 K N 2.395 122.836 120.400 0.069 0.000 2.464 160 K HA 0.456 4.775 4.320 -0.001 0.000 0.253 160 K C -0.155 176.508 176.600 0.106 0.000 0.933 160 K CA -0.737 55.581 56.287 0.052 0.000 0.801 160 K CB 1.999 34.521 32.500 0.036 0.000 1.271 160 K HN 0.421 nan 8.250 nan 0.000 0.430 161 M N 1.931 121.584 119.600 0.087 0.000 2.226 161 M HA 0.130 4.609 4.480 -0.001 0.000 0.324 161 M C -0.117 176.224 176.300 0.068 0.000 1.112 161 M CA -0.602 54.779 55.300 0.135 0.000 1.176 161 M CB 0.224 32.883 32.600 0.098 0.000 1.430 161 M HN 0.239 nan 8.290 nan 0.000 0.462 162 L N 2.248 123.510 121.223 0.066 0.000 2.485 162 L HA 0.075 4.415 4.340 -0.001 0.000 0.279 162 L C 1.190 178.023 176.870 -0.062 0.000 1.124 162 L CA 0.434 55.250 54.840 -0.039 0.000 0.888 162 L CB 0.188 42.191 42.059 -0.094 0.000 1.217 162 L HN 0.893 nan 8.230 nan 0.000 0.464 163 A N 4.250 127.038 122.820 -0.054 0.000 1.927 163 A HA -0.262 4.058 4.320 -0.001 0.000 0.220 163 A C 1.978 179.531 177.584 -0.053 0.000 1.185 163 A CA 2.098 54.112 52.037 -0.040 0.000 0.639 163 A CB -0.698 18.284 19.000 -0.031 0.000 0.820 163 A HN 0.912 nan 8.150 nan 0.000 0.451 164 N N 0.207 118.860 118.700 -0.078 0.000 2.519 164 N HA -0.135 4.605 4.740 -0.001 0.000 0.186 164 N C 1.252 176.703 175.510 -0.098 0.000 1.062 164 N CA 2.004 55.019 53.050 -0.058 0.000 0.910 164 N CB -0.985 37.470 38.487 -0.054 0.000 0.958 164 N HN 0.561 nan 8.380 nan 0.000 0.445 165 T N -3.603 110.818 114.554 -0.222 0.000 3.081 165 T HA -0.012 4.338 4.350 -0.001 0.000 0.250 165 T C 0.383 174.945 174.700 -0.230 0.000 1.100 165 T CA -0.105 61.710 62.100 -0.475 0.000 1.038 165 T CB -0.190 68.322 68.868 -0.592 0.000 0.962 165 T HN -0.020 nan 8.240 nan 0.000 0.516 166 D N 2.019 122.373 120.400 -0.076 0.000 2.551 166 D HA 0.347 4.986 4.640 -0.001 0.000 0.223 166 D C -0.379 175.943 176.300 0.038 0.000 1.144 166 D CA 0.265 54.266 54.000 0.001 0.000 1.025 166 D CB -0.355 40.455 40.800 0.016 0.000 1.085 166 D HN 0.364 nan 8.370 nan 0.000 0.506 167 T N 0.997 115.594 114.554 0.072 0.000 2.775 167 T HA 0.149 4.499 4.350 -0.001 0.000 0.320 167 T C -0.060 174.747 174.700 0.177 0.000 1.597 167 T CA -0.552 61.620 62.100 0.121 0.000 1.022 167 T CB 1.156 70.113 68.868 0.149 0.000 1.485 167 T HN 0.014 nan 8.240 nan 0.000 0.494 168 E N 1.399 121.689 120.200 0.149 0.000 2.474 168 E HA 0.094 4.444 4.350 -0.001 0.000 0.195 168 E C 0.242 176.933 176.600 0.152 0.000 1.039 168 E CA 0.006 56.499 56.400 0.154 0.000 0.881 168 E CB 0.123 29.882 29.700 0.099 0.000 0.970 168 E HN 0.444 nan 8.360 nan 0.000 0.486 169 N N 1.719 120.512 118.700 0.155 0.000 2.482 169 N HA 0.053 4.793 4.740 -0.001 0.000 0.242 169 N C 0.970 176.554 175.510 0.123 0.000 1.100 169 N CA -0.009 53.108 53.050 0.111 0.000 0.946 169 N CB 0.283 38.822 38.487 0.087 0.000 1.227 169 N HN 0.004 nan 8.380 nan 0.000 0.508 170 L N 1.354 122.599 121.223 0.036 0.000 2.189 170 L HA -0.178 4.162 4.340 -0.001 0.000 0.214 170 L C 0.970 177.683 176.870 -0.260 0.000 1.097 170 L CA 0.958 55.671 54.840 -0.212 0.000 0.764 170 L CB -0.203 41.751 42.059 -0.174 0.000 0.900 170 L HN 0.448 nan 8.230 nan 0.000 0.436 171 D N -0.116 120.234 120.400 -0.084 0.000 2.265 171 D HA -0.197 4.442 4.640 -0.001 0.000 0.208 171 D C 2.188 178.477 176.300 -0.019 0.000 0.977 171 D CA 0.909 54.876 54.000 -0.055 0.000 0.871 171 D CB -0.107 40.688 40.800 -0.008 0.000 0.925 171 D HN 0.472 nan 8.370 nan 0.000 0.485 172 Q N -1.010 118.825 119.800 0.059 0.000 2.291 172 Q HA -0.087 4.253 4.340 -0.001 0.000 0.205 172 Q C 1.048 177.166 176.000 0.195 0.000 0.970 172 Q CA 0.796 56.683 55.803 0.139 0.000 0.876 172 Q CB 0.101 28.967 28.738 0.213 0.000 0.935 172 Q HN 0.535 nan 8.270 nan 0.000 0.455 173 F N -4.490 115.447 119.950 -0.023 0.000 2.974 173 F HA 0.353 4.879 4.527 -0.002 0.000 0.357 173 F C -0.349 175.414 175.800 -0.062 0.000 1.114 173 F CA -0.640 57.316 58.000 -0.073 0.000 1.099 173 F CB 0.604 39.531 39.000 -0.120 0.000 1.205 173 F HN -0.348 nan 8.300 nan 0.000 0.535 174 V N 2.588 122.229 119.914 -0.455 0.000 2.376 174 V HA 0.786 4.906 4.120 -0.001 0.000 0.287 174 V C 0.556 176.564 176.094 -0.144 0.000 1.015 174 V CA -1.045 61.048 62.300 -0.345 0.000 0.834 174 V CB 0.651 32.237 31.823 -0.395 0.000 1.001 174 V HN 0.444 nan 8.190 nan 0.000 0.428 175 A N 7.617 130.390 122.820 -0.077 0.000 2.466 175 A HA 0.582 4.902 4.320 -0.001 0.000 0.238 175 A C -2.260 175.374 177.584 0.082 0.000 1.074 175 A CA -0.830 51.204 52.037 -0.006 0.000 0.774 175 A CB -0.281 18.711 19.000 -0.013 0.000 1.015 175 A HN 0.652 nan 8.150 nan 0.000 0.498 176 P HA 0.173 nan 4.420 nan 0.000 0.269 176 P C -0.569 176.906 177.300 0.292 0.000 1.209 176 P CA 0.060 63.244 63.100 0.141 0.000 0.776 176 P CB 0.161 31.910 31.700 0.083 0.000 0.876 177 F N 1.387 121.351 119.950 0.024 0.000 2.418 177 F HA 0.323 4.850 4.527 -0.001 0.000 0.341 177 F C 1.441 177.264 175.800 0.039 0.000 1.120 177 F CA -0.082 57.941 58.000 0.039 0.000 1.232 177 F CB 0.149 39.185 39.000 0.060 0.000 1.175 177 F HN 0.251 nan 8.300 nan 0.000 0.569 178 T N -0.935 113.695 114.554 0.127 0.000 2.907 178 T HA 0.719 5.068 4.350 -0.001 0.000 0.290 178 T C 0.532 175.277 174.700 0.075 0.000 1.066 178 T CA -0.324 61.828 62.100 0.086 0.000 1.012 178 T CB 1.398 70.282 68.868 0.027 0.000 1.184 178 T HN 1.043 nan 8.240 nan 0.000 0.522 179 G N 1.553 110.398 108.800 0.075 0.000 2.685 179 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.329 179 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.329 179 G C -0.043 174.931 174.900 0.124 0.000 1.271 179 G CA 0.779 45.919 45.100 0.068 0.000 1.003 179 G HN 0.887 nan 8.290 nan 0.000 0.549 180 D N 1.001 121.383 120.400 -0.031 0.000 2.525 180 D HA 0.237 4.876 4.640 -0.001 0.000 0.229 180 D C 1.929 177.956 176.300 -0.455 0.000 1.202 180 D CA 0.087 53.915 54.000 -0.287 0.000 0.828 180 D CB 0.470 41.068 40.800 -0.338 0.000 1.008 180 D HN 0.594 nan 8.370 nan 0.000 0.493 181 Q N -0.010 119.686 119.800 -0.173 0.000 2.364 181 Q HA -0.099 4.241 4.340 -0.001 0.000 0.209 181 Q C 1.685 177.652 176.000 -0.055 0.000 0.977 181 Q CA 0.763 56.444 55.803 -0.203 0.000 0.885 181 Q CB -0.016 28.518 28.738 -0.339 0.000 0.941 181 Q HN 0.619 nan 8.270 nan 0.000 0.464 182 W N 1.181 122.518 121.300 0.061 0.000 2.595 182 W HA 0.076 4.735 4.660 -0.002 0.000 0.257 182 W C -0.156 176.319 176.519 -0.074 0.000 1.267 182 W CA -0.079 57.267 57.345 0.002 0.000 1.300 182 W CB -0.172 29.228 29.460 -0.099 0.000 1.120 182 W HN -0.167 nan 8.180 nan 0.000 0.618 183 K N 1.900 121.751 120.400 -0.915 0.000 2.350 183 K HA 0.048 4.367 4.320 -0.001 0.000 0.279 183 K C 1.253 177.629 176.600 -0.372 0.000 1.027 183 K CA -0.234 55.572 56.287 -0.801 0.000 0.969 183 K CB 1.438 33.379 32.500 -0.931 0.000 0.954 183 K HN -0.104 nan 8.250 nan 0.000 0.474 184 R N 0.997 121.301 120.500 -0.327 0.000 2.093 184 R HA -0.063 4.276 4.340 -0.001 0.000 0.224 184 R C 0.563 176.649 176.300 -0.356 0.000 1.101 184 R CA 1.412 57.265 56.100 -0.413 0.000 0.979 184 R CB 0.333 30.282 30.300 -0.585 0.000 0.877 184 R HN 0.852 nan 8.270 nan 0.000 0.441 185 T N -3.403 110.971 114.554 -0.300 0.000 2.816 185 T HA 0.187 4.536 4.350 -0.001 0.000 0.299 185 T C 0.392 174.969 174.700 -0.205 0.000 1.230 185 T CA -0.905 61.066 62.100 -0.215 0.000 1.007 185 T CB 1.801 70.556 68.868 -0.189 0.000 1.289 185 T HN 0.184 nan 8.240 nan 0.000 0.508 186 K N 0.088 120.398 120.400 -0.150 0.000 2.280 186 K HA -0.076 4.243 4.320 -0.001 0.000 0.202 186 K C 0.404 176.924 176.600 -0.133 0.000 1.047 186 K CA 1.456 57.658 56.287 -0.143 0.000 0.942 186 K CB -0.237 32.205 32.500 -0.097 0.000 0.739 186 K HN 0.478 nan 8.250 nan 0.000 0.457 187 D N 1.351 121.681 120.400 -0.118 0.000 2.340 187 D HA -0.003 4.636 4.640 -0.001 0.000 0.217 187 D C -0.312 175.930 176.300 -0.097 0.000 1.081 187 D CA 0.049 53.995 54.000 -0.091 0.000 0.842 187 D CB -0.086 40.673 40.800 -0.069 0.000 0.934 187 D HN 0.214 nan 8.370 nan 0.000 0.511 188 D N 1.487 121.803 120.400 -0.140 0.000 2.583 188 D HA -0.096 4.543 4.640 -0.001 0.000 0.232 188 D C 0.830 177.113 176.300 -0.027 0.000 1.128 188 D CA 0.420 54.351 54.000 -0.114 0.000 0.859 188 D CB 0.787 41.470 40.800 -0.195 0.000 1.169 188 D HN -0.181 nan 8.370 nan 0.000 0.481 189 K N 2.647 123.051 120.400 0.007 0.000 2.399 189 K HA 0.132 4.452 4.320 -0.001 0.000 0.204 189 K C 0.241 176.895 176.600 0.090 0.000 1.023 189 K CA -0.468 55.843 56.287 0.042 0.000 1.127 189 K CB -0.023 32.468 32.500 -0.015 0.000 0.856 189 K HN 0.394 nan 8.250 nan 0.000 0.514 190 N N 1.344 120.141 118.700 0.161 0.000 2.381 190 N HA 0.057 4.797 4.740 -0.001 0.000 0.241 190 N C -0.070 175.482 175.510 0.070 0.000 1.279 190 N CA 0.418 53.554 53.050 0.142 0.000 0.896 190 N CB 0.777 39.383 38.487 0.197 0.000 1.118 190 N HN 0.012 nan 8.380 nan 0.000 0.438 191 I N 2.093 122.577 120.570 -0.142 0.000 2.355 191 I HA 0.121 4.290 4.170 -0.001 0.000 0.288 191 I C 0.007 175.802 176.117 -0.537 0.000 0.999 191 I CA -0.846 60.292 61.300 -0.269 0.000 1.163 191 I CB 1.399 39.292 38.000 -0.178 0.000 1.316 191 I HN 0.271 nan 8.210 nan 0.000 0.454 192 L N 7.962 128.666 121.223 -0.865 0.000 2.513 192 L HA 0.186 4.525 4.340 -0.001 0.000 0.272 192 L C -0.149 176.416 176.870 -0.509 0.000 1.187 192 L CA 0.781 55.031 54.840 -0.983 0.000 0.895 192 L CB 0.212 41.488 42.059 -1.306 0.000 1.147 192 L HN 0.477 nan 8.230 nan 0.000 0.483 193 M N 5.682 125.039 119.600 -0.405 0.000 2.084 193 M HA 0.318 4.797 4.480 -0.001 0.000 0.351 193 M C 0.112 176.303 176.300 -0.181 0.000 1.240 193 M CA -0.092 55.056 55.300 -0.254 0.000 1.083 193 M CB 0.373 32.842 32.600 -0.218 0.000 1.593 193 M HN 0.848 nan 8.290 nan 0.000 0.463 194 T N 0.897 115.373 114.554 -0.130 0.000 2.864 194 T HA 0.591 4.941 4.350 -0.001 0.000 0.289 194 T C -2.440 172.240 174.700 -0.032 0.000 1.082 194 T CA -1.693 60.362 62.100 -0.074 0.000 1.009 194 T CB 2.040 70.868 68.868 -0.067 0.000 1.234 194 T HN 0.193 nan 8.240 nan 0.000 0.526 195 P HA -0.070 nan 4.420 nan 0.000 0.216 195 P C 1.647 178.982 177.300 0.058 0.000 1.153 195 P CA 1.908 65.027 63.100 0.032 0.000 0.858 195 P CB -0.262 31.457 31.700 0.031 0.000 0.789 196 A N -0.149 122.684 122.820 0.021 0.000 1.877 196 A HA -0.190 4.129 4.320 -0.001 0.000 0.216 196 A C 2.359 179.971 177.584 0.047 0.000 1.186 196 A CA 2.484 54.533 52.037 0.021 0.000 0.620 196 A CB -1.598 17.392 19.000 -0.018 0.000 0.822 196 A HN 0.339 nan 8.150 nan 0.000 0.443 197 S N -0.726 114.975 115.700 0.001 0.000 2.436 197 S HA -0.087 4.383 4.470 -0.001 0.000 0.228 197 S C 1.986 176.583 174.600 -0.004 0.000 1.014 197 S CA 0.943 59.136 58.200 -0.013 0.000 0.950 197 S CB -0.376 62.777 63.200 -0.078 0.000 0.784 197 S HN 0.586 nan 8.310 nan 0.000 0.504 198 R N 0.004 120.498 120.500 -0.010 0.000 2.092 198 R HA -0.024 4.315 4.340 -0.001 0.000 0.231 198 R C 2.052 178.352 176.300 -0.000 0.000 1.119 198 R CA 1.291 57.374 56.100 -0.027 0.000 0.970 198 R CB -0.481 29.802 30.300 -0.029 0.000 0.864 198 R HN 0.466 nan 8.270 nan 0.000 0.440 199 F N 0.720 120.643 119.950 -0.044 0.000 2.126 199 F HA -0.223 4.303 4.527 -0.001 0.000 0.299 199 F C 1.860 177.648 175.800 -0.021 0.000 1.096 199 F CA 1.478 59.458 58.000 -0.032 0.000 1.255 199 F CB -0.251 38.727 39.000 -0.038 0.000 0.997 199 F HN -0.192 nan 8.300 nan 0.000 0.479 200 V N -0.752 119.312 119.914 0.250 0.000 2.358 200 V HA -0.269 3.851 4.120 -0.001 0.000 0.246 200 V C 2.633 178.739 176.094 0.019 0.000 1.047 200 V CA 1.893 64.287 62.300 0.156 0.000 1.035 200 V CB -0.997 30.890 31.823 0.107 0.000 0.658 200 V HN 0.523 nan 8.190 nan 0.000 0.452 201 S N 0.759 116.446 115.700 -0.022 0.000 2.399 201 S HA -0.194 4.275 4.470 -0.001 0.000 0.231 201 S C 1.663 176.231 174.600 -0.052 0.000 1.022 201 S CA 1.808 59.982 58.200 -0.044 0.000 0.983 201 S CB -0.404 62.750 63.200 -0.077 0.000 0.803 201 S HN 0.659 nan 8.310 nan 0.000 0.480 202 N N 0.962 119.591 118.700 -0.119 0.000 2.299 202 N HA 0.309 5.049 4.740 -0.001 0.000 0.187 202 N C 1.410 176.794 175.510 -0.210 0.000 1.099 202 N CA 0.770 53.729 53.050 -0.151 0.000 0.867 202 N CB -0.205 38.145 38.487 -0.229 0.000 0.974 202 N HN 0.499 nan 8.380 nan 0.000 0.477 203 A N 1.169 123.860 122.820 -0.215 0.000 2.121 203 A HA -0.118 4.201 4.320 -0.001 0.000 0.218 203 A C 1.636 179.195 177.584 -0.042 0.000 1.154 203 A CA 1.100 53.040 52.037 -0.163 0.000 0.679 203 A CB -0.295 18.712 19.000 0.012 0.000 0.795 203 A HN 0.398 nan 8.150 nan 0.000 0.458 204 D N -0.578 119.815 120.400 -0.012 0.000 2.363 204 D HA 0.033 4.672 4.640 -0.001 0.000 0.226 204 D C 0.614 176.923 176.300 0.015 0.000 1.020 204 D CA 0.146 54.157 54.000 0.018 0.000 0.892 204 D CB -0.055 40.767 40.800 0.036 0.000 0.900 204 D HN 0.426 nan 8.370 nan 0.000 0.531 205 L N 0.228 121.444 121.223 -0.011 0.000 2.376 205 L HA 0.413 4.753 4.340 -0.001 0.000 0.267 205 L C 0.248 177.097 176.870 -0.035 0.000 1.035 205 L CA -0.820 54.009 54.840 -0.018 0.000 0.800 205 L CB 1.529 43.577 42.059 -0.017 0.000 1.290 205 L HN 0.043 nan 8.230 nan 0.000 0.462 206 Q N -1.294 118.482 119.800 -0.039 0.000 2.738 206 Q HA 0.397 4.736 4.340 -0.001 0.000 0.301 206 Q C -1.640 174.337 176.000 -0.038 0.000 0.901 206 Q CA -0.972 54.815 55.803 -0.026 0.000 0.756 206 Q CB 1.485 30.218 28.738 -0.008 0.000 1.463 206 Q HN 0.413 nan 8.270 nan 0.000 0.432 207 T N 1.865 116.405 114.554 -0.022 0.000 2.771 207 T HA 0.455 4.804 4.350 -0.001 0.000 0.291 207 T C -0.046 174.634 174.700 -0.033 0.000 0.954 207 T CA -0.492 61.588 62.100 -0.032 0.000 1.045 207 T CB 0.141 69.002 68.868 -0.013 0.000 0.917 207 T HN 0.286 nan 8.240 nan 0.000 0.484 208 L N 5.896 127.090 121.223 -0.048 0.000 2.350 208 L HA 0.399 4.739 4.340 -0.001 0.000 0.275 208 L C -1.705 175.143 176.870 -0.036 0.000 1.099 208 L CA -2.312 52.503 54.840 -0.040 0.000 0.808 208 L CB 0.525 42.553 42.059 -0.052 0.000 1.149 208 L HN 0.372 nan 8.230 nan 0.000 0.442 209 P HA 0.004 nan 4.420 nan 0.000 0.269 209 P C 0.248 177.530 177.300 -0.029 0.000 1.209 209 P CA -0.209 62.877 63.100 -0.024 0.000 0.776 209 P CB 1.093 32.784 31.700 -0.016 0.000 0.876 210 A N 3.760 126.562 122.820 -0.030 0.000 1.958 210 A HA -0.176 4.144 4.320 -0.001 0.000 0.221 210 A C 2.369 179.936 177.584 -0.030 0.000 1.178 210 A CA 2.282 54.299 52.037 -0.034 0.000 0.642 210 A CB -1.873 17.108 19.000 -0.032 0.000 0.816 210 A HN 0.670 nan 8.150 nan 0.000 0.453 211 G N -0.968 107.819 108.800 -0.022 0.000 2.462 211 G HA2 0.034 3.994 3.960 -0.001 0.000 0.220 211 G HA3 0.034 3.994 3.960 -0.001 0.000 0.220 211 G C 1.401 176.291 174.900 -0.016 0.000 1.121 211 G CA 1.198 46.289 45.100 -0.016 0.000 0.758 211 G HN 0.937 nan 8.290 nan 0.000 0.559 212 A N -0.252 122.556 122.820 -0.020 0.000 2.251 212 A HA 0.458 4.778 4.320 -0.001 0.000 0.209 212 A C 1.124 178.693 177.584 -0.025 0.000 1.187 212 A CA 0.262 52.289 52.037 -0.018 0.000 0.823 212 A CB 0.156 19.145 19.000 -0.017 0.000 0.846 212 A HN 0.231 nan 8.150 nan 0.000 0.486 213 L N 0.342 121.544 121.223 -0.035 0.000 3.154 213 L HA 0.328 4.668 4.340 -0.001 0.000 0.266 213 L C 0.161 177.005 176.870 -0.044 0.000 1.300 213 L CA 0.315 55.127 54.840 -0.046 0.000 1.028 213 L CB -0.939 41.081 42.059 -0.064 0.000 1.412 213 L HN 0.289 nan 8.230 nan 0.000 0.564 214 R N 0.010 120.490 120.500 -0.033 0.000 2.297 214 R HA 0.477 4.816 4.340 -0.001 0.000 0.308 214 R C 0.953 177.233 176.300 -0.033 0.000 1.029 214 R CA 0.254 56.335 56.100 -0.033 0.000 0.929 214 R CB 1.049 31.335 30.300 -0.024 0.000 1.046 214 R HN 0.396 nan 8.270 nan 0.000 0.461 215 G N 2.789 111.566 108.800 -0.037 0.000 2.246 215 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.273 215 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.273 215 G C -0.333 174.549 174.900 -0.031 0.000 1.055 215 G CA 0.031 45.109 45.100 -0.036 0.000 0.851 215 G HN 0.491 nan 8.290 nan 0.000 0.500 216 K N 0.465 120.844 120.400 -0.035 0.000 2.354 216 K HA 0.467 4.786 4.320 -0.001 0.000 0.257 216 K C 0.469 177.049 176.600 -0.034 0.000 1.062 216 K CA -0.651 55.620 56.287 -0.027 0.000 0.971 216 K CB 1.400 33.882 32.500 -0.029 0.000 1.305 216 K HN 0.344 nan 8.250 nan 0.000 0.449 217 I N 2.099 122.656 120.570 -0.022 0.000 2.575 217 I HA 0.093 4.263 4.170 -0.001 0.000 0.285 217 I C 0.068 176.178 176.117 -0.013 0.000 1.085 217 I CA -0.673 60.609 61.300 -0.030 0.000 1.403 217 I CB 1.131 39.123 38.000 -0.013 0.000 1.409 217 I HN 0.106 nan 8.210 nan 0.000 0.557 218 V N 7.604 127.511 119.914 -0.011 0.000 2.540 218 V HA 0.362 4.482 4.120 -0.001 0.000 0.302 218 V C -2.176 173.938 176.094 0.033 0.000 1.035 218 V CA -1.727 60.614 62.300 0.069 0.000 0.873 218 V CB 1.742 33.617 31.823 0.086 0.000 0.992 218 V HN 0.579 nan 8.190 nan 0.000 0.428 219 P HA 0.164 nan 4.420 nan 0.000 0.272 219 P C -0.050 177.241 177.300 -0.015 0.000 1.240 219 P CA -0.175 62.956 63.100 0.052 0.000 0.791 219 P CB 0.219 31.918 31.700 -0.003 0.000 0.978 220 T N 4.104 118.662 114.554 0.007 0.000 2.866 220 T HA 0.111 4.460 4.350 -0.001 0.000 0.293 220 T C -1.930 172.713 174.700 -0.095 0.000 1.005 220 T CA -0.281 61.705 62.100 -0.190 0.000 1.162 220 T CB -0.642 67.800 68.868 -0.710 0.000 0.968 220 T HN 0.376 nan 8.240 nan 0.000 0.530 221 P HA 0.240 nan 4.420 nan 0.000 0.276 221 P C 0.772 178.158 177.300 0.144 0.000 1.244 221 P CA -0.570 62.621 63.100 0.152 0.000 0.801 221 P CB 0.844 32.611 31.700 0.112 0.000 1.006 222 M N -0.292 119.411 119.600 0.172 0.000 2.132 222 M HA -0.106 4.373 4.480 -0.001 0.000 0.263 222 M C 0.823 177.169 176.300 0.077 0.000 1.065 222 M CA 2.019 57.394 55.300 0.126 0.000 1.122 222 M CB -0.137 32.487 32.600 0.041 0.000 1.365 222 M HN 0.401 nan 8.290 nan 0.000 0.411 223 Q N -0.130 119.698 119.800 0.047 0.000 2.285 223 Q HA 0.562 4.901 4.340 -0.001 0.000 0.269 223 Q C -1.601 174.417 176.000 0.030 0.000 1.030 223 Q CA -0.407 55.417 55.803 0.035 0.000 0.788 223 Q CB 3.488 32.240 28.738 0.023 0.000 1.266 223 Q HN 0.090 nan 8.270 nan 0.000 0.438 224 V N 2.140 122.068 119.914 0.023 0.000 3.012 224 V HA 0.596 4.716 4.120 -0.001 0.000 0.307 224 V C -1.991 174.092 176.094 -0.019 0.000 1.166 224 V CA -0.477 61.827 62.300 0.007 0.000 0.974 224 V CB 2.395 34.222 31.823 0.006 0.000 1.040 224 V HN 0.685 nan 8.190 nan 0.000 0.428 225 K N 4.912 125.273 120.400 -0.066 0.000 2.613 225 K HA 0.564 4.883 4.320 -0.001 0.000 0.248 225 K C -0.956 175.420 176.600 -0.373 0.000 0.959 225 K CA -0.540 55.670 56.287 -0.129 0.000 0.855 225 K CB 2.131 34.606 32.500 -0.042 0.000 1.143 225 K HN 0.796 nan 8.250 nan 0.000 0.437 226 V N 1.376 121.110 119.914 -0.300 0.000 2.567 226 V HA 0.449 4.568 4.120 -0.001 0.000 0.289 226 V C -0.229 175.639 176.094 -0.377 0.000 1.049 226 V CA -0.132 61.955 62.300 -0.355 0.000 0.969 226 V CB 0.830 32.569 31.823 -0.139 0.000 0.995 226 V HN 0.666 nan 8.190 nan 0.000 0.471 227 H N 3.891 122.976 119.070 0.025 0.000 2.630 227 H HA 0.655 5.211 4.556 -0.001 0.000 0.343 227 H C 1.033 176.371 175.328 0.018 0.000 1.232 227 H CA -0.241 55.821 56.048 0.022 0.000 1.294 227 H CB 1.944 31.721 29.762 0.026 0.000 1.746 227 H HN 0.785 nan 8.280 nan 0.000 0.593 228 A N 0.415 123.323 122.820 0.145 0.000 2.066 228 A HA -0.059 4.260 4.320 -0.001 0.000 0.218 228 A C 1.057 178.679 177.584 0.064 0.000 1.157 228 A CA 0.586 52.669 52.037 0.076 0.000 0.670 228 A CB -0.344 18.690 19.000 0.056 0.000 0.804 228 A HN 0.707 nan 8.150 nan 0.000 0.453 229 Q N -0.402 119.447 119.800 0.081 0.000 2.169 229 Q HA 0.511 4.850 4.340 -0.001 0.000 0.234 229 Q C -1.546 174.487 176.000 0.054 0.000 0.980 229 Q CA -0.813 55.024 55.803 0.057 0.000 0.941 229 Q CB 0.762 29.532 28.738 0.053 0.000 1.199 229 Q HN 0.119 nan 8.270 nan 0.000 0.496 230 D N -0.141 120.281 120.400 0.036 0.000 2.481 230 D HA 0.528 5.167 4.640 -0.001 0.000 0.244 230 D C -1.208 175.100 176.300 0.013 0.000 1.057 230 D CA -0.447 53.563 54.000 0.016 0.000 0.848 230 D CB 1.956 42.753 40.800 -0.006 0.000 1.388 230 D HN 0.705 nan 8.370 nan 0.000 0.475 231 A N 1.327 124.136 122.820 -0.018 0.000 2.354 231 A HA 0.372 4.692 4.320 -0.001 0.000 0.269 231 A C -0.257 177.234 177.584 -0.156 0.000 1.109 231 A CA -0.306 51.689 52.037 -0.070 0.000 0.800 231 A CB 0.499 19.373 19.000 -0.211 0.000 1.045 231 A HN 0.404 nan 8.150 nan 0.000 0.489 232 D N 2.343 122.665 120.400 -0.129 0.000 2.427 232 D HA 0.413 5.053 4.640 -0.001 0.000 0.226 232 D C 0.329 176.536 176.300 -0.156 0.000 1.076 232 D CA -0.249 53.687 54.000 -0.107 0.000 0.849 232 D CB 0.505 41.287 40.800 -0.029 0.000 1.052 232 D HN 0.348 nan 8.370 nan 0.000 0.515 233 L N 3.069 124.183 121.223 -0.183 0.000 2.607 233 L HA 0.256 4.596 4.340 -0.001 0.000 0.228 233 L C 1.988 178.823 176.870 -0.059 0.000 1.123 233 L CA -0.339 54.409 54.840 -0.153 0.000 0.890 233 L CB -0.047 41.916 42.059 -0.160 0.000 1.103 233 L HN 0.189 nan 8.230 nan 0.000 0.468 234 R N 2.138 122.611 120.500 -0.045 0.000 2.395 234 R HA -0.069 4.270 4.340 -0.001 0.000 0.203 234 R C 1.240 177.533 176.300 -0.013 0.000 1.076 234 R CA 0.730 56.816 56.100 -0.024 0.000 1.059 234 R CB -0.114 30.172 30.300 -0.023 0.000 0.860 234 R HN 0.547 nan 8.270 nan 0.000 0.476 235 K N -2.251 118.145 120.400 -0.007 0.000 2.412 235 K HA 0.296 4.616 4.320 -0.001 0.000 0.202 235 K C 0.655 177.254 176.600 -0.002 0.000 1.102 235 K CA 0.447 56.733 56.287 -0.001 0.000 1.027 235 K CB 0.970 33.474 32.500 0.007 0.000 0.931 235 K HN 0.098 nan 8.250 nan 0.000 0.557 236 G N 1.235 110.033 108.800 -0.004 0.000 2.353 236 G HA2 0.038 3.997 3.960 -0.001 0.000 0.615 236 G HA3 0.038 3.997 3.960 -0.001 0.000 0.615 236 G C -1.253 173.638 174.900 -0.015 0.000 1.280 236 G CA -0.578 44.512 45.100 -0.017 0.000 1.000 236 G HN 0.366 nan 8.290 nan 0.000 0.516 237 V N -2.975 116.893 119.914 -0.077 0.000 2.823 237 V HA 0.974 5.094 4.120 -0.001 0.000 0.312 237 V C 0.409 176.424 176.094 -0.131 0.000 1.072 237 V CA -0.283 61.967 62.300 -0.083 0.000 0.937 237 V CB 1.627 33.305 31.823 -0.242 0.000 1.013 237 V HN 2.615 nan 8.190 nan 0.000 0.430 238 A N 4.973 127.740 122.820 -0.089 0.000 2.280 238 A HA 0.766 5.086 4.320 -0.001 0.000 0.320 238 A C -0.352 177.153 177.584 -0.131 0.000 1.366 238 A CA -0.525 51.450 52.037 -0.103 0.000 0.938 238 A CB -0.144 18.811 19.000 -0.074 0.000 1.157 238 A HN 0.929 nan 8.150 nan 0.000 0.536 239 L N 2.436 123.559 121.223 -0.167 0.000 2.265 239 L HA 0.268 4.608 4.340 -0.001 0.000 0.288 239 L C -0.136 176.676 176.870 -0.096 0.000 1.058 239 L CA -0.623 54.119 54.840 -0.164 0.000 0.809 239 L CB 1.181 43.106 42.059 -0.223 0.000 1.179 239 L HN 0.695 nan 8.230 nan 0.000 0.429 240 D N 5.114 125.471 120.400 -0.071 0.000 2.441 240 D HA 0.220 4.860 4.640 -0.001 0.000 0.221 240 D C 0.158 176.439 176.300 -0.031 0.000 1.156 240 D CA -0.122 53.850 54.000 -0.045 0.000 0.896 240 D CB 0.652 41.430 40.800 -0.036 0.000 1.028 240 D HN 0.405 nan 8.370 nan 0.000 0.509 241 L N 2.955 124.161 121.223 -0.028 0.000 3.017 241 L HA 0.113 4.452 4.340 -0.001 0.000 0.255 241 L C 1.648 178.514 176.870 -0.006 0.000 1.247 241 L CA -0.182 54.651 54.840 -0.013 0.000 1.038 241 L CB 0.030 42.081 42.059 -0.013 0.000 1.380 241 L HN 0.325 nan 8.230 nan 0.000 0.548 242 S N -2.017 113.677 115.700 -0.009 0.000 2.515 242 S HA -0.131 4.339 4.470 -0.001 0.000 0.231 242 S C 1.908 176.507 174.600 -0.002 0.000 0.987 242 S CA 1.086 59.282 58.200 -0.007 0.000 0.936 242 S CB -0.582 62.612 63.200 -0.010 0.000 0.766 242 S HN 0.572 nan 8.310 nan 0.000 0.528 243 T N 0.171 114.728 114.554 0.005 0.000 3.072 243 T HA 0.275 4.624 4.350 -0.001 0.000 0.266 243 T C 0.494 175.199 174.700 0.009 0.000 1.127 243 T CA 0.118 62.223 62.100 0.009 0.000 1.107 243 T CB -0.543 68.338 68.868 0.021 0.000 0.910 243 T HN 0.340 nan 8.240 nan 0.000 0.513 244 L N 1.961 123.191 121.223 0.011 0.000 2.325 244 L HA 0.521 4.860 4.340 -0.001 0.000 0.278 244 L C -0.054 176.816 176.870 -0.000 0.000 1.023 244 L CA -1.494 53.353 54.840 0.013 0.000 0.811 244 L CB 1.955 44.038 42.059 0.040 0.000 1.249 244 L HN -0.092 nan 8.230 nan 0.000 0.431 245 V N 2.143 122.050 119.914 -0.011 0.000 2.788 245 V HA -0.084 4.035 4.120 -0.001 0.000 0.307 245 V C 1.381 177.465 176.094 -0.017 0.000 1.069 245 V CA -0.091 62.198 62.300 -0.019 0.000 1.173 245 V CB 0.685 32.490 31.823 -0.030 0.000 0.925 245 V HN 0.767 nan 8.190 nan 0.000 0.492 246 K N 6.162 126.552 120.400 -0.016 0.000 2.034 246 K HA -0.157 4.163 4.320 -0.001 0.000 0.214 246 K C -0.594 175.994 176.600 -0.020 0.000 1.051 246 K CA 2.408 58.686 56.287 -0.015 0.000 0.931 246 K CB -1.388 31.104 32.500 -0.014 0.000 0.715 246 K HN 0.615 nan 8.250 nan 0.000 0.446 247 P HA -0.159 nan 4.420 nan 0.000 0.216 247 P C 0.855 178.121 177.300 -0.055 0.000 1.153 247 P CA 2.081 65.148 63.100 -0.054 0.000 0.858 247 P CB -0.168 31.489 31.700 -0.071 0.000 0.789 248 A N -0.205 122.590 122.820 -0.042 0.000 1.929 248 A HA 0.010 4.329 4.320 -0.001 0.000 0.216 248 A C 2.338 179.984 177.584 0.103 0.000 1.176 248 A CA 1.794 53.837 52.037 0.010 0.000 0.628 248 A CB -1.513 17.470 19.000 -0.029 0.000 0.816 248 A HN 0.186 nan 8.150 nan 0.000 0.444 249 A N 0.209 123.059 122.820 0.050 0.000 1.902 249 A HA -0.189 4.131 4.320 -0.001 0.000 0.217 249 A C 1.740 179.344 177.584 0.033 0.000 1.181 249 A CA 1.911 53.975 52.037 0.044 0.000 0.623 249 A CB -0.603 18.405 19.000 0.015 0.000 0.818 249 A HN 0.431 nan 8.150 nan 0.000 0.443 250 D N -0.288 120.119 120.400 0.012 0.000 2.149 250 D HA -0.105 4.534 4.640 -0.001 0.000 0.198 250 D C 2.008 178.310 176.300 0.004 0.000 0.990 250 D CA 1.265 55.265 54.000 0.001 0.000 0.839 250 D CB -0.386 40.404 40.800 -0.017 0.000 0.948 250 D HN 0.211 nan 8.370 nan 0.000 0.460 251 V N 0.459 120.380 119.914 0.012 0.000 2.332 251 V HA -0.219 3.901 4.120 -0.001 0.000 0.248 251 V C 2.594 178.695 176.094 0.013 0.000 1.055 251 V CA 1.077 63.388 62.300 0.018 0.000 1.038 251 V CB -0.367 31.510 31.823 0.090 0.000 0.651 251 V HN 0.076 nan 8.190 nan 0.000 0.450 252 V N -0.182 119.743 119.914 0.019 0.000 2.307 252 V HA -0.220 3.899 4.120 -0.001 0.000 0.245 252 V C 2.530 178.711 176.094 0.145 0.000 1.045 252 V CA 2.280 64.571 62.300 -0.015 0.000 1.024 252 V CB -0.706 31.116 31.823 -0.001 0.000 0.651 252 V HN 0.575 nan 8.190 nan 0.000 0.449 253 S N -0.548 115.214 115.700 0.104 0.000 2.359 253 S HA -0.249 4.221 4.470 -0.001 0.000 0.224 253 S C 1.964 176.628 174.600 0.106 0.000 1.035 253 S CA 1.280 59.546 58.200 0.109 0.000 1.018 253 S CB -0.377 62.839 63.200 0.028 0.000 0.876 253 S HN 0.533 nan 8.310 nan 0.000 0.448 254 Q N 0.507 120.334 119.800 0.044 0.000 2.291 254 Q HA 0.033 4.372 4.340 -0.001 0.000 0.205 254 Q C 2.186 178.186 176.000 -0.001 0.000 0.970 254 Q CA 0.815 56.629 55.803 0.018 0.000 0.876 254 Q CB -0.195 28.542 28.738 -0.000 0.000 0.935 254 Q HN 0.486 nan 8.270 nan 0.000 0.455 255 R N -0.690 119.791 120.500 -0.032 0.000 2.127 255 R HA -0.011 4.329 4.340 -0.001 0.000 0.217 255 R C 1.851 178.049 176.300 -0.171 0.000 1.074 255 R CA 0.394 56.411 56.100 -0.138 0.000 0.991 255 R CB -0.026 30.129 30.300 -0.242 0.000 0.895 255 R HN 0.066 nan 8.270 nan 0.000 0.450 256 F N 0.527 120.414 119.950 -0.105 0.000 2.134 256 F HA -0.132 4.395 4.527 -0.001 0.000 0.299 256 F C 2.414 178.169 175.800 -0.075 0.000 1.097 256 F CA 1.577 59.521 58.000 -0.094 0.000 1.264 256 F CB -0.359 38.592 39.000 -0.082 0.000 1.001 256 F HN 0.155 nan 8.300 nan 0.000 0.479 257 A N -0.418 122.472 122.820 0.117 0.000 1.898 257 A HA -0.138 4.181 4.320 -0.001 0.000 0.216 257 A C 2.070 179.655 177.584 0.002 0.000 1.181 257 A CA 1.315 53.381 52.037 0.049 0.000 0.620 257 A CB -1.048 17.972 19.000 0.034 0.000 0.819 257 A HN 0.348 nan 8.150 nan 0.000 0.442 258 L N -0.186 121.022 121.223 -0.026 0.000 2.042 258 L HA -0.074 4.265 4.340 -0.001 0.000 0.210 258 L C 1.916 178.748 176.870 -0.064 0.000 1.076 258 L CA 1.645 56.455 54.840 -0.049 0.000 0.749 258 L CB -0.264 41.753 42.059 -0.070 0.000 0.893 258 L HN 0.393 nan 8.230 nan 0.000 0.432 259 L N -0.639 120.531 121.223 -0.088 0.000 2.599 259 L HA 0.188 4.528 4.340 -0.001 0.000 0.230 259 L C 1.413 178.248 176.870 -0.058 0.000 1.141 259 L CA 0.601 55.382 54.840 -0.098 0.000 0.877 259 L CB -0.896 41.063 42.059 -0.166 0.000 1.009 259 L HN 0.598 nan 8.230 nan 0.000 0.447 260 G N 0.173 108.957 108.800 -0.026 0.000 2.141 260 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.242 260 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.242 260 G C 0.059 174.965 174.900 0.010 0.000 0.982 260 G CA -0.094 44.999 45.100 -0.011 0.000 0.662 260 G HN 0.120 nan 8.290 nan 0.000 0.527 261 V N 2.583 122.526 119.914 0.048 0.000 2.328 261 V HA 0.457 4.576 4.120 -0.001 0.000 0.278 261 V C -1.477 174.661 176.094 0.074 0.000 1.021 261 V CA -1.667 60.682 62.300 0.082 0.000 0.838 261 V CB 1.536 33.479 31.823 0.200 0.000 0.999 261 V HN 0.162 nan 8.190 nan 0.000 0.447 262 P HA 0.139 nan 4.420 nan 0.000 0.269 262 P C -0.666 176.614 177.300 -0.034 0.000 1.215 262 P CA -0.011 63.089 63.100 0.000 0.000 0.780 262 P CB 0.731 32.426 31.700 -0.008 0.000 0.898 263 V N 3.102 122.987 119.914 -0.048 0.000 2.350 263 V HA 0.411 4.531 4.120 -0.001 0.000 0.285 263 V C 0.102 176.156 176.094 -0.066 0.000 1.014 263 V CA -0.170 62.072 62.300 -0.096 0.000 0.831 263 V CB 0.602 32.359 31.823 -0.110 0.000 1.000 263 V HN 0.688 nan 8.190 nan 0.000 0.433 264 Q N 1.767 121.526 119.800 -0.068 0.000 2.377 264 Q HA 0.425 4.764 4.340 -0.001 0.000 0.279 264 Q C 0.524 176.496 176.000 -0.047 0.000 1.049 264 Q CA -0.297 55.478 55.803 -0.046 0.000 0.825 264 Q CB 1.682 30.401 28.738 -0.031 0.000 1.401 264 Q HN 0.550 nan 8.270 nan 0.000 0.404 265 T N -1.215 113.315 114.554 -0.040 0.000 2.977 265 T HA -0.058 4.292 4.350 -0.001 0.000 0.271 265 T C 0.634 175.313 174.700 -0.035 0.000 1.105 265 T CA 1.573 63.649 62.100 -0.040 0.000 1.116 265 T CB -0.274 68.574 68.868 -0.033 0.000 0.878 265 T HN 0.581 nan 8.240 nan 0.000 0.509 266 N N 1.148 119.831 118.700 -0.028 0.000 2.203 266 N HA 0.325 5.064 4.740 -0.001 0.000 0.207 266 N C 0.754 176.257 175.510 -0.011 0.000 1.130 266 N CA 0.023 53.061 53.050 -0.021 0.000 0.861 266 N CB 0.523 39.001 38.487 -0.015 0.000 1.005 266 N HN 0.615 nan 8.380 nan 0.000 0.507 267 G N -0.640 108.153 108.800 -0.012 0.000 2.588 267 G HA2 0.100 4.060 3.960 -0.001 0.000 0.281 267 G HA3 0.100 4.060 3.960 -0.001 0.000 0.281 267 G C -0.779 174.149 174.900 0.046 0.000 1.236 267 G CA -0.442 44.668 45.100 0.016 0.000 0.969 267 G HN 0.240 nan 8.290 nan 0.000 0.504 268 Y N 1.208 121.474 120.300 -0.056 0.000 2.650 268 Y HA 0.254 4.803 4.550 -0.001 0.000 0.331 268 Y C -1.892 173.968 175.900 -0.067 0.000 1.165 268 Y CA -1.610 56.461 58.100 -0.048 0.000 1.473 268 Y CB 0.362 38.801 38.460 -0.035 0.000 1.224 268 Y HN 0.135 nan 8.280 nan 0.000 0.533 269 P HA 0.054 nan 4.420 nan 0.000 0.261 269 P C -0.847 176.314 177.300 -0.233 0.000 1.183 269 P CA 0.993 63.941 63.100 -0.253 0.000 0.761 269 P CB 0.238 31.784 31.700 -0.257 0.000 0.785 270 I N 4.167 124.680 120.570 -0.094 0.000 2.448 270 I HA 0.243 4.413 4.170 -0.001 0.000 0.281 270 I C 0.484 176.578 176.117 -0.039 0.000 1.027 270 I CA -0.628 60.656 61.300 -0.027 0.000 1.111 270 I CB 1.361 39.379 38.000 0.030 0.000 1.236 270 I HN 0.075 nan 8.210 nan 0.000 0.452 271 K N 3.840 124.222 120.400 -0.031 0.000 2.098 271 K HA 0.670 4.989 4.320 -0.001 0.000 0.261 271 K C -0.086 176.521 176.600 0.011 0.000 0.987 271 K CA -0.528 55.747 56.287 -0.019 0.000 0.916 271 K CB 1.832 34.317 32.500 -0.024 0.000 1.039 271 K HN 0.624 nan 8.250 nan 0.000 0.455 272 T N -1.278 113.284 114.554 0.014 0.000 2.912 272 T HA 0.519 4.869 4.350 -0.001 0.000 0.299 272 T C -1.172 173.549 174.700 0.037 0.000 1.052 272 T CA -0.983 61.138 62.100 0.035 0.000 0.996 272 T CB 1.829 70.715 68.868 0.031 0.000 1.070 272 T HN 0.352 nan 8.240 nan 0.000 0.465 273 D N 0.741 121.178 120.400 0.062 0.000 2.609 273 D HA 0.531 5.171 4.640 -0.001 0.000 0.239 273 D C -0.995 175.359 176.300 0.091 0.000 1.229 273 D CA -0.467 53.568 54.000 0.059 0.000 0.808 273 D CB 2.063 42.892 40.800 0.048 0.000 1.448 273 D HN 0.695 nan 8.370 nan 0.000 0.433 274 I N 1.842 122.454 120.570 0.069 0.000 2.410 274 I HA 0.244 4.414 4.170 -0.001 0.000 0.286 274 I C -0.777 175.376 176.117 0.060 0.000 1.009 274 I CA -0.488 60.857 61.300 0.075 0.000 1.111 274 I CB 1.231 39.244 38.000 0.022 0.000 1.262 274 I HN 0.164 nan 8.210 nan 0.000 0.443 275 Q N 6.467 126.347 119.800 0.133 0.000 3.147 275 Q HA 0.307 4.647 4.340 -0.001 0.000 0.224 275 Q C -2.646 173.468 176.000 0.190 0.000 0.901 275 Q CA -1.685 54.177 55.803 0.099 0.000 0.729 275 Q CB 1.815 30.595 28.738 0.070 0.000 1.363 275 Q HN 0.267 nan 8.270 nan 0.000 0.467 276 P HA -0.229 nan 4.420 nan 0.000 0.216 276 P C 1.498 178.979 177.300 0.302 0.000 1.154 276 P CA 2.173 65.239 63.100 -0.056 0.000 0.865 276 P CB 0.046 31.444 31.700 -0.502 0.000 0.789 277 G N 0.224 109.110 108.800 0.143 0.000 2.432 277 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.219 277 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.219 277 G C 1.523 176.470 174.900 0.078 0.000 1.135 277 G CA 0.444 45.615 45.100 0.118 0.000 0.767 277 G HN 0.229 nan 8.290 nan 0.000 0.550 278 K N -0.264 120.125 120.400 -0.018 0.000 2.442 278 K HA -0.022 4.297 4.320 -0.001 0.000 0.199 278 K C -0.297 176.029 176.600 -0.457 0.000 1.044 278 K CA 0.379 56.500 56.287 -0.277 0.000 0.941 278 K CB -0.194 32.042 32.500 -0.441 0.000 0.759 278 K HN 0.370 nan 8.250 nan 0.000 0.472 279 F N 1.083 121.113 119.950 0.133 0.000 2.443 279 F HA 0.304 4.831 4.527 -0.001 0.000 0.335 279 F C 0.255 176.119 175.800 0.107 0.000 1.104 279 F CA -0.836 57.250 58.000 0.142 0.000 1.013 279 F CB 1.377 40.528 39.000 0.252 0.000 1.136 279 F HN -0.354 nan 8.300 nan 0.000 0.470 280 K N 1.698 122.223 120.400 0.209 0.000 2.422 280 K HA 0.708 5.028 4.320 -0.001 0.000 0.251 280 K C 0.343 176.985 176.600 0.071 0.000 0.933 280 K CA -0.654 55.702 56.287 0.116 0.000 0.798 280 K CB 2.290 34.824 32.500 0.057 0.000 1.238 280 K HN 0.762 nan 8.250 nan 0.000 0.428 281 G N 1.785 110.609 108.800 0.040 0.000 2.574 281 G HA2 -0.456 3.503 3.960 -0.001 0.000 0.301 281 G HA3 -0.456 3.503 3.960 -0.001 0.000 0.301 281 G C 0.932 175.809 174.900 -0.037 0.000 1.166 281 G CA 0.603 45.703 45.100 0.000 0.000 0.971 281 G HN 0.725 nan 8.290 nan 0.000 0.542 282 A N -0.762 122.023 122.820 -0.058 0.000 2.066 282 A HA 0.272 4.592 4.320 -0.001 0.000 0.218 282 A C 2.455 179.961 177.584 -0.130 0.000 1.157 282 A CA 2.533 54.505 52.037 -0.108 0.000 0.670 282 A CB -0.369 18.558 19.000 -0.123 0.000 0.804 282 A HN 0.614 nan 8.150 nan 0.000 0.453 283 M N -0.263 119.300 119.600 -0.061 0.000 2.394 283 M HA 0.053 4.532 4.480 -0.001 0.000 0.264 283 M C 1.465 177.694 176.300 -0.118 0.000 1.073 283 M CA 0.856 56.138 55.300 -0.030 0.000 1.111 283 M CB -1.249 31.439 32.600 0.147 0.000 1.401 283 M HN 0.384 nan 8.290 nan 0.000 0.448 284 A N 2.385 125.140 122.820 -0.108 0.000 3.026 284 A HA 0.416 4.735 4.320 -0.001 0.000 0.272 284 A C 0.334 177.466 177.584 -0.753 0.000 1.782 284 A CA -0.256 51.631 52.037 -0.250 0.000 1.451 284 A CB -1.078 17.945 19.000 0.037 0.000 1.081 284 A HN 0.291 nan 8.150 nan 0.000 0.611 285 V N -1.807 117.412 119.914 -1.159 0.000 3.178 285 V HA 0.699 4.818 4.120 -0.001 0.000 0.302 285 V C 0.127 175.669 176.094 -0.920 0.000 1.262 285 V CA -0.558 61.158 62.300 -0.974 0.000 1.030 285 V CB 1.054 32.602 31.823 -0.459 0.000 1.074 285 V HN 0.510 nan 8.190 nan 0.000 0.438 286 S N 1.289 116.743 115.700 -0.410 0.000 2.558 286 S HA 0.441 4.911 4.470 -0.001 0.000 0.293 286 S C 1.504 176.127 174.600 0.037 0.000 1.292 286 S CA 1.574 59.767 58.200 -0.011 0.000 1.063 286 S CB -0.141 63.105 63.200 0.077 0.000 0.831 286 S HN 2.922 nan 8.310 nan 0.000 0.499 287 G N 2.645 111.559 108.800 0.189 0.000 2.199 287 G HA2 -0.144 3.815 3.960 -0.001 0.000 0.254 287 G HA3 -0.144 3.815 3.960 -0.001 0.000 0.254 287 G C 0.316 175.506 174.900 0.484 0.000 0.982 287 G CA 0.159 45.530 45.100 0.452 0.000 0.632 287 G HN 1.459 nan 8.290 nan 0.000 0.529 288 A N -0.198 122.682 122.820 0.100 0.000 2.366 288 A HA 0.807 5.126 4.320 -0.001 0.000 0.249 288 A C -0.119 177.531 177.584 0.111 0.000 1.084 288 A CA 0.789 52.817 52.037 -0.016 0.000 0.794 288 A CB 0.317 19.055 19.000 -0.436 0.000 1.034 288 A HN 1.933 nan 8.150 nan 0.000 0.491 289 Y N -2.140 118.280 120.300 0.200 0.000 2.677 289 Y HA 0.686 5.235 4.550 -0.001 0.000 0.334 289 Y C -0.939 175.271 175.900 0.517 0.000 1.196 289 Y CA -1.144 57.191 58.100 0.391 0.000 1.059 289 Y CB 0.828 39.463 38.460 0.291 0.000 1.315 289 Y HN 0.623 nan 8.280 nan 0.000 0.455 290 E N 1.921 122.470 120.200 0.582 0.000 2.183 290 E HA 0.607 4.956 4.350 -0.001 0.000 0.271 290 E C -1.867 174.967 176.600 0.390 0.000 0.919 290 E CA -1.113 55.473 56.400 0.310 0.000 0.781 290 E CB 2.906 32.690 29.700 0.140 0.000 1.140 290 E HN 0.638 nan 8.360 nan 0.000 0.402 291 L N 2.378 123.792 121.223 0.318 0.000 2.438 291 L HA 0.441 4.781 4.340 -0.001 0.000 0.270 291 L C -1.463 175.523 176.870 0.193 0.000 0.972 291 L CA -0.400 54.620 54.840 0.300 0.000 0.831 291 L CB 1.491 43.786 42.059 0.394 0.000 1.273 291 L HN 0.291 nan 8.230 nan 0.000 0.405 292 K N 6.125 126.621 120.400 0.161 0.000 2.358 292 K HA 0.553 4.872 4.320 -0.001 0.000 0.260 292 K C -1.507 175.182 176.600 0.148 0.000 0.956 292 K CA -0.551 55.820 56.287 0.141 0.000 0.834 292 K CB 1.195 33.760 32.500 0.109 0.000 1.102 292 K HN 0.739 nan 8.250 nan 0.000 0.431 293 I N 3.666 124.334 120.570 0.163 0.000 2.359 293 I HA 0.293 4.462 4.170 -0.001 0.000 0.284 293 I C 0.533 176.771 176.117 0.201 0.000 1.018 293 I CA -0.670 60.744 61.300 0.190 0.000 1.173 293 I CB 1.714 39.805 38.000 0.152 0.000 1.326 293 I HN 0.648 nan 8.210 nan 0.000 0.462 294 G N 3.721 112.644 108.800 0.205 0.000 2.601 294 G HA2 0.293 4.252 3.960 -0.001 0.000 0.317 294 G HA3 0.293 4.252 3.960 -0.001 0.000 0.317 294 G C 0.525 175.553 174.900 0.214 0.000 1.246 294 G CA -0.423 44.771 45.100 0.158 0.000 1.012 294 G HN 0.545 nan 8.290 nan 0.000 0.494 295 K N -0.401 120.082 120.400 0.139 0.000 2.103 295 K HA -0.092 4.227 4.320 -0.001 0.000 0.207 295 K C 1.746 178.470 176.600 0.206 0.000 1.048 295 K CA 2.038 58.414 56.287 0.149 0.000 0.930 295 K CB -0.018 32.528 32.500 0.077 0.000 0.716 295 K HN 0.522 nan 8.250 nan 0.000 0.444 296 K N -0.368 120.082 120.400 0.084 0.000 2.477 296 K HA 0.160 4.480 4.320 -0.001 0.000 0.208 296 K C -0.443 175.896 176.600 -0.436 0.000 1.117 296 K CA -0.244 56.025 56.287 -0.030 0.000 1.039 296 K CB 0.799 33.279 32.500 -0.033 0.000 0.937 296 K HN 0.259 nan 8.250 nan 0.000 0.570 297 E N 0.540 120.445 120.200 -0.492 0.000 2.430 297 E HA 0.659 5.008 4.350 -0.001 0.000 0.279 297 E C -1.771 174.576 176.600 -0.422 0.000 1.003 297 E CA -1.252 54.722 56.400 -0.710 0.000 0.801 297 E CB 1.865 31.359 29.700 -0.343 0.000 1.313 297 E HN 0.036 nan 8.360 nan 0.000 0.459 298 A N 1.696 124.327 122.820 -0.315 0.000 2.401 298 A HA 0.599 4.918 4.320 -0.001 0.000 0.310 298 A C -1.060 176.531 177.584 0.013 0.000 1.075 298 A CA -0.663 51.391 52.037 0.029 0.000 0.746 298 A CB 2.091 21.258 19.000 0.278 0.000 1.277 298 A HN 0.515 nan 8.150 nan 0.000 0.425 299 Q N 0.595 120.432 119.800 0.063 0.000 2.323 299 Q HA 0.584 4.924 4.340 -0.001 0.000 0.271 299 Q C -1.792 174.271 176.000 0.104 0.000 1.048 299 Q CA -0.573 55.267 55.803 0.062 0.000 0.792 299 Q CB 2.588 31.361 28.738 0.059 0.000 1.280 299 Q HN 0.523 nan 8.270 nan 0.000 0.441 300 V N 4.707 124.682 119.914 0.103 0.000 2.482 300 V HA 0.476 4.596 4.120 -0.001 0.000 0.295 300 V C -0.569 175.626 176.094 0.168 0.000 1.026 300 V CA -0.478 61.910 62.300 0.146 0.000 0.856 300 V CB 1.774 33.653 31.823 0.094 0.000 1.001 300 V HN 0.668 nan 8.190 nan 0.000 0.424 301 I N 4.395 125.112 120.570 0.244 0.000 2.354 301 I HA 0.625 4.794 4.170 -0.001 0.000 0.286 301 I C 0.845 177.256 176.117 0.490 0.000 1.007 301 I CA -0.117 61.350 61.300 0.279 0.000 1.167 301 I CB 1.657 39.782 38.000 0.208 0.000 1.320 301 I HN 0.700 nan 8.210 nan 0.000 0.458 302 G N 3.523 112.558 108.800 0.391 0.000 2.434 302 G HA2 0.294 4.254 3.960 -0.001 0.000 0.330 302 G HA3 0.294 4.254 3.960 -0.001 0.000 0.330 302 G C -0.016 175.040 174.900 0.261 0.000 1.155 302 G CA -0.423 44.891 45.100 0.356 0.000 0.917 302 G HN 0.608 nan 8.290 nan 0.000 0.493 303 F N 0.415 120.167 119.950 -0.330 0.000 2.325 303 F HA 0.132 4.659 4.527 -0.001 0.000 0.299 303 F C 0.560 176.308 175.800 -0.086 0.000 1.090 303 F CA 1.202 58.947 58.000 -0.424 0.000 1.392 303 F CB 0.339 38.917 39.000 -0.703 0.000 1.053 303 F HN 0.532 nan 8.300 nan 0.000 0.521 304 D N -2.234 118.201 120.400 0.057 0.000 2.768 304 D HA 0.081 4.721 4.640 -0.001 0.000 0.327 304 D C 0.482 176.804 176.300 0.036 0.000 1.302 304 D CA -0.549 53.460 54.000 0.014 0.000 0.897 304 D CB 0.276 41.131 40.800 0.092 0.000 1.420 304 D HN 0.037 nan 8.370 nan 0.000 0.494 305 Q N -0.422 119.379 119.800 0.002 0.000 2.112 305 Q HA -0.160 4.180 4.340 -0.001 0.000 0.206 305 Q C 1.998 177.977 176.000 -0.036 0.000 0.987 305 Q CA 2.327 58.124 55.803 -0.009 0.000 0.858 305 Q CB -0.317 28.400 28.738 -0.035 0.000 0.905 305 Q HN 0.603 nan 8.270 nan 0.000 0.420 306 A N 0.894 123.662 122.820 -0.087 0.000 1.877 306 A HA -0.143 4.177 4.320 -0.001 0.000 0.216 306 A C 2.303 179.769 177.584 -0.196 0.000 1.186 306 A CA 1.734 53.606 52.037 -0.275 0.000 0.620 306 A CB -1.266 17.590 19.000 -0.240 0.000 0.822 306 A HN 0.501 nan 8.150 nan 0.000 0.443 307 G N -0.522 108.323 108.800 0.074 0.000 2.446 307 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.217 307 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.217 307 G C 1.537 176.535 174.900 0.163 0.000 1.168 307 G CA 1.305 46.558 45.100 0.256 0.000 0.771 307 G HN 0.323 nan 8.290 nan 0.000 0.551 308 V N 0.362 120.338 119.914 0.104 0.000 2.255 308 V HA -0.189 3.931 4.120 -0.001 0.000 0.247 308 V C 2.339 178.436 176.094 0.003 0.000 1.051 308 V CA 2.070 64.410 62.300 0.065 0.000 1.018 308 V CB -0.684 31.179 31.823 0.066 0.000 0.641 308 V HN 0.391 nan 8.190 nan 0.000 0.445 309 F N -0.199 119.657 119.950 -0.156 0.000 2.126 309 F HA -0.254 4.273 4.527 -0.001 0.000 0.299 309 F C 2.284 177.986 175.800 -0.162 0.000 1.096 309 F CA 1.865 59.749 58.000 -0.193 0.000 1.255 309 F CB -0.334 38.483 39.000 -0.307 0.000 0.997 309 F HN 0.172 nan 8.300 nan 0.000 0.479 310 Y N 0.436 120.770 120.300 0.057 0.000 2.242 310 Y HA 0.000 4.550 4.550 -0.001 0.000 0.291 310 Y C 2.710 178.242 175.900 -0.613 0.000 1.137 310 Y CA 0.676 58.667 58.100 -0.181 0.000 1.181 310 Y CB -1.562 36.912 38.460 0.023 0.000 0.989 310 Y HN 0.114 nan 8.280 nan 0.000 0.527 311 G N -0.048 108.348 108.800 -0.673 0.000 2.440 311 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.218 311 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.218 311 G C 1.764 176.413 174.900 -0.419 0.000 1.154 311 G CA 1.032 45.563 45.100 -0.948 0.000 0.767 311 G HN 0.378 nan 8.290 nan 0.000 0.552 312 L N -0.239 120.806 121.223 -0.297 0.000 2.093 312 L HA -0.084 4.256 4.340 -0.001 0.000 0.208 312 L C 3.115 179.781 176.870 -0.340 0.000 1.085 312 L CA 0.763 55.470 54.840 -0.222 0.000 0.755 312 L CB -0.320 41.623 42.059 -0.194 0.000 0.904 312 L HN 0.109 nan 8.230 nan 0.000 0.435 313 Q N -0.232 119.309 119.800 -0.432 0.000 2.135 313 Q HA -0.147 4.192 4.340 -0.001 0.000 0.204 313 Q C 2.480 178.274 176.000 -0.342 0.000 0.981 313 Q CA 1.632 57.183 55.803 -0.420 0.000 0.856 313 Q CB -0.476 28.061 28.738 -0.335 0.000 0.902 313 Q HN 0.422 nan 8.270 nan 0.000 0.425 314 S N 0.407 115.924 115.700 -0.305 0.000 2.383 314 S HA -0.036 4.434 4.470 -0.001 0.000 0.227 314 S C 1.992 176.497 174.600 -0.157 0.000 1.026 314 S CA 0.704 58.783 58.200 -0.202 0.000 0.981 314 S CB -0.164 62.974 63.200 -0.104 0.000 0.818 314 S HN 0.327 nan 8.310 nan 0.000 0.472 315 I N 1.397 121.879 120.570 -0.146 0.000 2.163 315 I HA -0.205 3.964 4.170 -0.001 0.000 0.243 315 I C 2.028 178.032 176.117 -0.188 0.000 1.085 315 I CA 1.225 62.468 61.300 -0.094 0.000 1.347 315 I CB -0.413 37.591 38.000 0.007 0.000 1.044 315 I HN 0.233 nan 8.210 nan 0.000 0.408 316 L N 0.470 121.493 121.223 -0.333 0.000 2.131 316 L HA -0.190 4.149 4.340 -0.001 0.000 0.210 316 L C 2.765 179.447 176.870 -0.313 0.000 1.092 316 L CA 1.536 56.109 54.840 -0.445 0.000 0.759 316 L CB -0.598 41.096 42.059 -0.608 0.000 0.903 316 L HN 0.366 nan 8.230 nan 0.000 0.435 317 S N -0.192 115.351 115.700 -0.262 0.000 2.423 317 S HA -0.121 4.349 4.470 -0.001 0.000 0.231 317 S C 1.870 176.382 174.600 -0.147 0.000 1.014 317 S CA 0.793 58.876 58.200 -0.196 0.000 0.965 317 S CB -0.501 62.606 63.200 -0.155 0.000 0.785 317 S HN 0.418 nan 8.310 nan 0.000 0.495 318 L N 1.405 122.546 121.223 -0.137 0.000 2.240 318 L HA 0.141 4.481 4.340 -0.001 0.000 0.211 318 L C 0.609 177.412 176.870 -0.111 0.000 1.106 318 L CA -0.003 54.773 54.840 -0.106 0.000 0.793 318 L CB -0.533 41.477 42.059 -0.082 0.000 0.927 318 L HN 0.170 nan 8.230 nan 0.000 0.446 319 V N 2.718 122.549 119.914 -0.138 0.000 2.539 319 V HA -0.015 4.104 4.120 -0.001 0.000 0.300 319 V C -1.755 174.273 176.094 -0.111 0.000 1.019 319 V CA -0.767 61.458 62.300 -0.126 0.000 1.160 319 V CB -0.295 31.434 31.823 -0.157 0.000 0.901 319 V HN 0.081 nan 8.190 nan 0.000 0.481 320 P HA 0.226 nan 4.420 nan 0.000 0.276 320 P C 0.407 177.661 177.300 -0.076 0.000 1.244 320 P CA -0.357 62.694 63.100 -0.080 0.000 0.801 320 P CB 1.009 32.669 31.700 -0.067 0.000 1.006 321 S N 0.261 115.917 115.700 -0.073 0.000 2.561 321 S HA -0.081 4.389 4.470 -0.001 0.000 0.225 321 S C 1.051 175.619 174.600 -0.053 0.000 0.977 321 S CA 0.783 58.943 58.200 -0.067 0.000 0.926 321 S CB -0.642 62.517 63.200 -0.068 0.000 0.769 321 S HN 0.643 nan 8.310 nan 0.000 0.533 322 D N 0.478 120.849 120.400 -0.049 0.000 2.349 322 D HA 0.159 4.798 4.640 -0.001 0.000 0.224 322 D C 1.355 177.634 176.300 -0.036 0.000 1.029 322 D CA 0.779 54.756 54.000 -0.039 0.000 0.879 322 D CB -0.603 40.176 40.800 -0.035 0.000 0.906 322 D HN 0.328 nan 8.370 nan 0.000 0.528 323 G N 0.354 109.130 108.800 -0.041 0.000 2.199 323 G HA2 -0.389 3.570 3.960 -0.001 0.000 0.254 323 G HA3 -0.389 3.570 3.960 -0.001 0.000 0.254 323 G C 1.243 176.123 174.900 -0.034 0.000 0.982 323 G CA 1.026 46.105 45.100 -0.036 0.000 0.632 323 G HN 0.724 nan 8.290 nan 0.000 0.529 324 S N 0.362 116.040 115.700 -0.036 0.000 2.440 324 S HA 0.246 4.715 4.470 -0.001 0.000 0.238 324 S C 2.604 177.180 174.600 -0.041 0.000 1.010 324 S CA 1.760 59.939 58.200 -0.035 0.000 0.972 324 S CB -0.605 62.574 63.200 -0.035 0.000 0.774 324 S HN 2.460 nan 8.310 nan 0.000 0.501 325 G N 1.292 110.064 108.800 -0.048 0.000 2.180 325 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.263 325 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.263 325 G C -0.086 174.769 174.900 -0.075 0.000 0.989 325 G CA 0.614 45.679 45.100 -0.057 0.000 0.692 325 G HN 0.619 nan 8.290 nan 0.000 0.526 326 K N 0.612 120.973 120.400 -0.066 0.000 2.227 326 K HA 0.631 4.950 4.320 -0.001 0.000 0.280 326 K C 0.695 177.251 176.600 -0.074 0.000 1.041 326 K CA -0.443 55.802 56.287 -0.070 0.000 0.905 326 K CB 1.763 34.235 32.500 -0.048 0.000 1.068 326 K HN 0.703 nan 8.250 nan 0.000 0.470 327 I N -1.878 118.640 120.570 -0.086 0.000 2.892 327 I HA 0.649 4.819 4.170 -0.001 0.000 0.306 327 I C -0.397 175.693 176.117 -0.044 0.000 1.078 327 I CA -1.329 59.928 61.300 -0.072 0.000 1.032 327 I CB 2.187 40.135 38.000 -0.086 0.000 1.229 327 I HN 0.470 nan 8.210 nan 0.000 0.435 328 A N 2.538 125.341 122.820 -0.029 0.000 2.388 328 A HA 0.543 4.863 4.320 -0.001 0.000 0.257 328 A C 0.482 178.080 177.584 0.024 0.000 1.095 328 A CA -0.066 51.968 52.037 -0.005 0.000 0.791 328 A CB 0.066 19.056 19.000 -0.016 0.000 1.029 328 A HN 0.859 nan 8.150 nan 0.000 0.489 329 T N 0.058 114.654 114.554 0.069 0.000 2.918 329 T HA 0.530 4.879 4.350 -0.001 0.000 0.302 329 T C -0.238 174.528 174.700 0.110 0.000 1.045 329 T CA 0.134 62.321 62.100 0.146 0.000 1.114 329 T CB 0.157 69.153 68.868 0.214 0.000 0.965 329 T HN 1.672 nan 8.240 nan 0.000 0.540 330 L N -1.665 119.631 121.223 0.121 0.000 2.940 330 L HA 0.715 5.054 4.340 -0.001 0.000 0.270 330 L C -1.951 174.966 176.870 0.078 0.000 1.030 330 L CA -0.956 53.811 54.840 -0.122 0.000 0.928 330 L CB 1.540 43.536 42.059 -0.104 0.000 1.506 330 L HN 0.575 nan 8.230 nan 0.000 0.405 331 D N 1.020 121.440 120.400 0.034 0.000 2.549 331 D HA 0.737 5.377 4.640 -0.001 0.000 0.251 331 D C -1.052 175.291 176.300 0.071 0.000 1.153 331 D CA -0.107 53.971 54.000 0.129 0.000 0.861 331 D CB 2.319 43.247 40.800 0.213 0.000 1.207 331 D HN 1.005 nan 8.370 nan 0.000 0.543 332 A N 1.452 124.328 122.820 0.094 0.000 2.454 332 A HA 0.679 4.999 4.320 -0.001 0.000 0.302 332 A C -0.850 176.766 177.584 0.053 0.000 1.079 332 A CA -0.712 51.369 52.037 0.074 0.000 0.731 332 A CB 2.202 21.263 19.000 0.102 0.000 1.299 332 A HN 0.304 nan 8.150 nan 0.000 0.413 333 S N 0.595 116.295 115.700 0.001 0.000 2.561 333 S HA 0.671 5.141 4.470 -0.001 0.000 0.303 333 S C -1.640 172.886 174.600 -0.123 0.000 1.110 333 S CA -0.396 57.779 58.200 -0.042 0.000 1.034 333 S CB 1.194 64.398 63.200 0.006 0.000 1.010 333 S HN 0.798 nan 8.310 nan 0.000 0.482 334 D N 1.753 121.971 120.400 -0.303 0.000 2.655 334 D HA 0.792 5.432 4.640 -0.001 0.000 0.229 334 D C -1.284 174.933 176.300 -0.139 0.000 1.229 334 D CA -0.042 53.823 54.000 -0.226 0.000 0.807 334 D CB 2.120 42.729 40.800 -0.318 0.000 1.514 334 D HN 0.836 nan 8.370 nan 0.000 0.444 335 A N 2.068 124.858 122.820 -0.050 0.000 2.605 335 A HA 0.664 4.983 4.320 -0.001 0.000 0.294 335 A C -2.878 174.210 177.584 -0.826 0.000 1.062 335 A CA -1.201 50.682 52.037 -0.257 0.000 0.682 335 A CB 1.568 20.422 19.000 -0.244 0.000 1.278 335 A HN 0.358 nan 8.150 nan 0.000 0.410 336 P HA 0.130 nan 4.420 nan 0.000 0.268 336 P C 0.771 177.581 177.300 -0.817 0.000 1.204 336 P CA -0.070 62.177 63.100 -1.423 0.000 0.768 336 P CB 0.599 31.742 31.700 -0.927 0.000 0.842 337 R N 2.477 122.508 120.500 -0.781 0.000 2.189 337 R HA 0.031 4.370 4.340 -0.001 0.000 0.223 337 R C -0.267 175.617 176.300 -0.694 0.000 1.092 337 R CA 1.264 56.921 56.100 -0.740 0.000 0.989 337 R CB -0.236 29.495 30.300 -0.949 0.000 0.876 337 R HN 0.259 nan 8.270 nan 0.000 0.457 338 F N -0.807 118.941 119.950 -0.336 0.000 2.588 338 F HA 0.419 4.945 4.527 -0.001 0.000 0.310 338 F C -1.841 173.784 175.800 -0.291 0.000 1.082 338 F CA -3.380 54.439 58.000 -0.302 0.000 0.929 338 F CB 1.984 40.850 39.000 -0.222 0.000 1.254 338 F HN -0.367 nan 8.300 nan 0.000 0.455 339 P HA -0.164 nan 4.420 nan 0.000 0.217 339 P C -0.530 176.763 177.300 -0.013 0.000 1.150 339 P CA 1.577 64.600 63.100 -0.128 0.000 0.832 339 P CB 0.136 31.699 31.700 -0.228 0.000 0.787 340 Y N 1.010 121.187 120.300 -0.205 0.000 2.417 340 Y HA 0.387 4.937 4.550 -0.001 0.000 0.336 340 Y C -0.039 175.851 175.900 -0.016 0.000 0.961 340 Y CA -0.923 57.131 58.100 -0.075 0.000 1.215 340 Y CB 0.502 38.915 38.460 -0.079 0.000 1.120 340 Y HN -0.241 nan 8.280 nan 0.000 0.499 341 R N 4.652 125.172 120.500 0.033 0.000 2.513 341 R HA 0.482 4.822 4.340 -0.001 0.000 0.283 341 R C -0.221 176.108 176.300 0.050 0.000 1.535 341 R CA -0.631 55.552 56.100 0.138 0.000 1.315 341 R CB 1.137 31.552 30.300 0.192 0.000 1.163 341 R HN 0.799 nan 8.270 nan 0.000 0.573 342 G N 2.040 110.900 108.800 0.100 0.000 2.489 342 G HA2 0.641 4.600 3.960 -0.001 0.000 0.327 342 G HA3 0.641 4.600 3.960 -0.001 0.000 0.327 342 G C -0.591 174.397 174.900 0.147 0.000 1.189 342 G CA -0.462 44.678 45.100 0.067 0.000 0.962 342 G HN 0.228 nan 8.290 nan 0.000 0.486 343 I N 0.859 121.509 120.570 0.134 0.000 2.447 343 I HA 0.329 4.499 4.170 -0.001 0.000 0.287 343 I C -1.215 174.967 176.117 0.109 0.000 1.023 343 I CA -0.861 60.510 61.300 0.117 0.000 1.083 343 I CB 1.505 39.570 38.000 0.109 0.000 1.245 343 I HN 0.437 nan 8.210 nan 0.000 0.434 344 F N 8.458 128.290 119.950 -0.198 0.000 2.421 344 F HA 0.734 5.260 4.527 -0.001 0.000 0.337 344 F C -1.334 174.193 175.800 -0.454 0.000 1.105 344 F CA -0.958 56.764 58.000 -0.465 0.000 1.049 344 F CB 1.477 40.031 39.000 -0.744 0.000 1.139 344 F HN 0.316 nan 8.300 nan 0.000 0.479 345 L N 6.051 126.656 121.223 -1.029 0.000 2.441 345 L HA 0.393 4.732 4.340 -0.001 0.000 0.270 345 L C -1.604 174.753 176.870 -0.856 0.000 0.973 345 L CA -0.418 54.005 54.840 -0.695 0.000 0.842 345 L CB 1.318 43.277 42.059 -0.165 0.000 1.239 345 L HN 0.675 nan 8.230 nan 0.000 0.406 346 D N 3.390 123.385 120.400 -0.674 0.000 2.325 346 D HA 0.292 4.932 4.640 -0.001 0.000 0.251 346 D C 0.661 177.001 176.300 0.065 0.000 1.196 346 D CA 0.081 53.891 54.000 -0.316 0.000 0.866 346 D CB 1.430 42.144 40.800 -0.143 0.000 1.101 346 D HN 0.405 nan 8.370 nan 0.000 0.476 347 V N 1.731 121.738 119.914 0.155 0.000 3.477 347 V HA 0.422 4.542 4.120 -0.001 0.000 0.297 347 V C 1.571 177.787 176.094 0.204 0.000 1.433 347 V CA 0.513 62.968 62.300 0.258 0.000 1.052 347 V CB 0.015 32.077 31.823 0.397 0.000 0.895 347 V HN 0.441 nan 8.190 nan 0.000 0.438 348 A N 1.284 124.210 122.820 0.176 0.000 1.874 348 A HA 0.063 4.383 4.320 -0.001 0.000 0.214 348 A C 2.297 180.009 177.584 0.212 0.000 1.189 348 A CA 1.425 53.565 52.037 0.171 0.000 0.615 348 A CB -0.359 18.750 19.000 0.182 0.000 0.830 348 A HN 0.424 nan 8.150 nan 0.000 0.443 349 R N 0.349 120.967 120.500 0.197 0.000 2.066 349 R HA 0.106 4.445 4.340 -0.001 0.000 0.232 349 R C -0.195 176.172 176.300 0.112 0.000 1.131 349 R CA 1.076 57.257 56.100 0.135 0.000 0.955 349 R CB -0.112 30.124 30.300 -0.107 0.000 0.851 349 R HN 0.493 nan 8.270 nan 0.000 0.432 350 N N -0.775 117.970 118.700 0.076 0.000 2.336 350 N HA 0.097 4.837 4.740 -0.001 0.000 0.290 350 N C -1.487 173.995 175.510 -0.047 0.000 1.058 350 N CA -0.585 52.528 53.050 0.104 0.000 0.865 350 N CB 1.883 40.367 38.487 -0.005 0.000 1.581 350 N HN -0.094 nan 8.380 nan 0.000 0.480 351 F N 2.636 122.529 119.950 -0.096 0.000 2.410 351 F HA 0.264 4.791 4.527 -0.001 0.000 0.334 351 F C 0.045 175.524 175.800 -0.535 0.000 1.134 351 F CA 0.161 57.999 58.000 -0.270 0.000 1.227 351 F CB 0.513 39.355 39.000 -0.262 0.000 1.194 351 F HN 0.369 nan 8.300 nan 0.000 0.571 352 H N 3.993 122.709 119.070 -0.590 0.000 2.589 352 H HA 0.297 4.853 4.556 -0.001 0.000 0.351 352 H C -0.445 174.361 175.328 -0.870 0.000 1.074 352 H CA -0.917 54.841 56.048 -0.484 0.000 1.203 352 H CB 1.626 31.312 29.762 -0.126 0.000 1.558 352 H HN 0.537 nan 8.280 nan 0.000 0.522 353 K N 1.284 121.412 120.400 -0.454 0.000 2.230 353 K HA 0.027 4.347 4.320 -0.001 0.000 0.253 353 K C 1.387 178.017 176.600 0.049 0.000 1.008 353 K CA -0.378 55.742 56.287 -0.278 0.000 0.910 353 K CB 1.599 34.053 32.500 -0.078 0.000 0.994 353 K HN 0.513 nan 8.250 nan 0.000 0.495 354 K N 1.511 122.047 120.400 0.227 0.000 2.063 354 K HA -0.224 4.095 4.320 -0.001 0.000 0.208 354 K C 1.496 178.073 176.600 -0.038 0.000 1.048 354 K CA 2.267 58.655 56.287 0.169 0.000 0.928 354 K CB -0.112 32.486 32.500 0.163 0.000 0.713 354 K HN 0.721 nan 8.250 nan 0.000 0.442 355 D N 0.296 120.677 120.400 -0.033 0.000 2.178 355 D HA -0.179 4.460 4.640 -0.001 0.000 0.201 355 D C 1.639 177.887 176.300 -0.087 0.000 0.980 355 D CA 1.422 55.372 54.000 -0.083 0.000 0.842 355 D CB -0.279 40.495 40.800 -0.043 0.000 0.948 355 D HN 0.301 nan 8.370 nan 0.000 0.472 356 A N 0.790 123.582 122.820 -0.046 0.000 1.968 356 A HA 0.035 4.354 4.320 -0.001 0.000 0.217 356 A C 2.587 180.115 177.584 -0.093 0.000 1.169 356 A CA 0.972 52.986 52.037 -0.039 0.000 0.638 356 A CB -0.578 18.425 19.000 0.006 0.000 0.812 356 A HN 0.177 nan 8.150 nan 0.000 0.446 357 V N 0.498 120.333 119.914 -0.131 0.000 2.295 357 V HA -0.260 3.859 4.120 -0.001 0.000 0.246 357 V C 2.541 178.402 176.094 -0.387 0.000 1.049 357 V CA 1.934 64.058 62.300 -0.292 0.000 1.024 357 V CB -0.818 30.818 31.823 -0.311 0.000 0.648 357 V HN 0.585 nan 8.190 nan 0.000 0.447 358 L N -0.595 120.392 121.223 -0.394 0.000 2.083 358 L HA -0.177 4.162 4.340 -0.001 0.000 0.209 358 L C 2.743 179.479 176.870 -0.223 0.000 1.083 358 L CA 1.648 56.164 54.840 -0.540 0.000 0.752 358 L CB -0.706 40.866 42.059 -0.812 0.000 0.899 358 L HN 0.245 nan 8.230 nan 0.000 0.433 359 R N -0.293 120.123 120.500 -0.141 0.000 2.148 359 R HA -0.133 4.207 4.340 -0.001 0.000 0.227 359 R C 2.194 178.487 176.300 -0.013 0.000 1.103 359 R CA 0.864 56.930 56.100 -0.056 0.000 0.983 359 R CB -0.273 30.000 30.300 -0.045 0.000 0.874 359 R HN 0.194 nan 8.270 nan 0.000 0.451 360 L N 1.093 122.300 121.223 -0.027 0.000 2.027 360 L HA -0.113 4.227 4.340 -0.001 0.000 0.206 360 L C 1.871 178.724 176.870 -0.028 0.000 1.074 360 L CA 1.634 56.504 54.840 0.048 0.000 0.745 360 L CB -0.414 41.581 42.059 -0.106 0.000 0.898 360 L HN 0.096 nan 8.230 nan 0.000 0.433 361 L N -0.604 120.518 121.223 -0.169 0.000 2.083 361 L HA -0.220 4.120 4.340 -0.001 0.000 0.209 361 L C 2.318 179.204 176.870 0.026 0.000 1.083 361 L CA 1.416 56.187 54.840 -0.115 0.000 0.752 361 L CB -0.931 41.066 42.059 -0.104 0.000 0.899 361 L HN 0.338 nan 8.230 nan 0.000 0.433 362 D N -0.332 120.115 120.400 0.080 0.000 2.123 362 D HA -0.179 4.461 4.640 -0.001 0.000 0.196 362 D C 2.275 178.585 176.300 0.017 0.000 0.992 362 D CA 1.170 55.204 54.000 0.056 0.000 0.833 362 D CB -0.033 40.802 40.800 0.059 0.000 0.954 362 D HN 0.378 nan 8.370 nan 0.000 0.455 363 Q N 0.025 119.853 119.800 0.046 0.000 2.172 363 Q HA 0.004 4.343 4.340 -0.001 0.000 0.200 363 Q C 2.283 178.411 176.000 0.213 0.000 0.964 363 Q CA 0.459 56.333 55.803 0.117 0.000 0.855 363 Q CB -0.266 28.573 28.738 0.169 0.000 0.918 363 Q HN 0.429 nan 8.270 nan 0.000 0.444 364 M N 0.055 119.757 119.600 0.171 0.000 2.117 364 M HA -0.153 4.327 4.480 -0.001 0.000 0.262 364 M C 2.213 178.600 176.300 0.145 0.000 1.065 364 M CA 1.688 57.087 55.300 0.166 0.000 1.114 364 M CB -0.348 32.302 32.600 0.084 0.000 1.361 364 M HN 0.186 nan 8.290 nan 0.000 0.408 365 A N 0.154 123.041 122.820 0.112 0.000 1.930 365 A HA -0.026 4.293 4.320 -0.001 0.000 0.217 365 A C 2.312 179.960 177.584 0.107 0.000 1.175 365 A CA 1.759 53.917 52.037 0.202 0.000 0.627 365 A CB -0.886 18.249 19.000 0.226 0.000 0.815 365 A HN 0.506 nan 8.150 nan 0.000 0.443 366 A N -1.845 120.901 122.820 -0.122 0.000 2.019 366 A HA -0.002 4.318 4.320 -0.001 0.000 0.219 366 A C 1.507 178.692 177.584 -0.664 0.000 1.164 366 A CA 1.288 53.042 52.037 -0.473 0.000 0.644 366 A CB -0.540 18.003 19.000 -0.762 0.000 0.805 366 A HN 0.603 nan 8.150 nan 0.000 0.449 367 Y N -1.222 119.067 120.300 -0.019 0.000 2.636 367 Y HA 0.290 4.840 4.550 -0.001 0.000 0.260 367 Y C 0.553 176.378 175.900 -0.124 0.000 1.177 367 Y CA -0.363 57.701 58.100 -0.060 0.000 1.209 367 Y CB 0.149 38.631 38.460 0.038 0.000 1.166 367 Y HN 0.301 nan 8.280 nan 0.000 0.531 368 K N -0.311 120.038 120.400 -0.086 0.000 3.339 368 K HA -0.204 4.116 4.320 -0.001 0.000 0.299 368 K C -0.557 176.030 176.600 -0.023 0.000 1.270 368 K CA 0.342 56.438 56.287 -0.317 0.000 0.875 368 K CB -2.073 29.892 32.500 -0.892 0.000 1.298 368 K HN 0.326 nan 8.250 nan 0.000 0.485 369 L N 1.768 123.065 121.223 0.124 0.000 2.397 369 L HA 0.111 4.451 4.340 -0.001 0.000 0.271 369 L C 1.442 178.410 176.870 0.163 0.000 1.148 369 L CA -0.241 54.692 54.840 0.155 0.000 0.825 369 L CB 0.390 42.541 42.059 0.153 0.000 1.117 369 L HN 0.202 nan 8.230 nan 0.000 0.456 370 N N 0.623 119.409 118.700 0.142 0.000 2.200 370 N HA 0.065 4.805 4.740 -0.001 0.000 0.224 370 N C -0.636 174.867 175.510 -0.013 0.000 1.179 370 N CA -0.275 52.842 53.050 0.111 0.000 0.877 370 N CB 0.587 39.185 38.487 0.185 0.000 1.072 370 N HN 0.348 nan 8.380 nan 0.000 0.519 371 K N 0.886 121.240 120.400 -0.077 0.000 2.507 371 K HA 0.262 4.581 4.320 -0.001 0.000 0.252 371 K C -1.736 174.870 176.600 0.010 0.000 0.943 371 K CA -0.522 55.661 56.287 -0.172 0.000 0.808 371 K CB 1.613 33.712 32.500 -0.668 0.000 1.142 371 K HN 0.034 nan 8.250 nan 0.000 0.426 372 F N 3.618 123.501 119.950 -0.112 0.000 2.311 372 F HA 0.205 4.731 4.527 -0.001 0.000 0.371 372 F C 0.005 175.788 175.800 -0.029 0.000 1.083 372 F CA -1.047 56.885 58.000 -0.113 0.000 1.113 372 F CB 0.325 39.202 39.000 -0.206 0.000 1.349 372 F HN 0.550 nan 8.300 nan 0.000 0.470 373 H N 6.480 125.302 119.070 -0.412 0.000 2.846 373 H HA 0.212 4.767 4.556 -0.001 0.000 0.278 373 H C -1.225 173.680 175.328 -0.706 0.000 1.117 373 H CA -0.541 55.286 56.048 -0.369 0.000 1.406 373 H CB 0.342 30.061 29.762 -0.071 0.000 1.445 373 H HN 0.435 nan 8.280 nan 0.000 0.469 374 F N 5.772 125.377 119.950 -0.575 0.000 2.313 374 F HA 0.113 4.639 4.527 -0.001 0.000 0.369 374 F C -0.367 175.157 175.800 -0.460 0.000 1.109 374 F CA -0.908 56.659 58.000 -0.722 0.000 1.132 374 F CB -0.035 38.647 39.000 -0.530 0.000 1.291 374 F HN 0.680 nan 8.300 nan 0.000 0.496 375 H N 6.080 124.859 119.070 -0.485 0.000 3.014 375 H HA 0.281 4.837 4.556 -0.001 0.000 0.266 375 H C 0.728 175.864 175.328 -0.320 0.000 1.455 375 H CA 0.206 55.991 56.048 -0.438 0.000 1.402 375 H CB 0.297 29.614 29.762 -0.742 0.000 1.626 375 H HN 0.711 nan 8.280 nan 0.000 0.520 376 L N 2.445 123.366 121.223 -0.503 0.000 2.478 376 L HA 0.036 4.376 4.340 -0.001 0.000 0.223 376 L C 0.434 176.942 176.870 -0.602 0.000 1.140 376 L CA 0.433 54.930 54.840 -0.571 0.000 0.842 376 L CB -0.157 41.464 42.059 -0.731 0.000 0.953 376 L HN 0.536 nan 8.230 nan 0.000 0.452 377 S N -2.867 112.482 115.700 -0.584 0.000 2.570 377 S HA 0.681 5.151 4.470 -0.001 0.000 0.270 377 S C -1.035 173.455 174.600 -0.182 0.000 1.149 377 S CA -0.965 56.991 58.200 -0.407 0.000 0.837 377 S CB 3.279 66.152 63.200 -0.545 0.000 1.124 377 S HN 0.022 nan 8.310 nan 0.000 0.465 378 D N -0.989 119.440 120.400 0.049 0.000 3.010 378 D HA 0.200 4.840 4.640 -0.001 0.000 0.353 378 D C -0.463 175.913 176.300 0.127 0.000 1.415 378 D CA -0.357 53.754 54.000 0.185 0.000 0.864 378 D CB 0.811 41.835 40.800 0.374 0.000 1.445 378 D HN 0.469 nan 8.370 nan 0.000 0.516 379 D N -0.057 120.390 120.400 0.079 0.000 2.144 379 D HA -0.126 4.514 4.640 -0.001 0.000 0.199 379 D C 0.639 176.865 176.300 -0.123 0.000 0.984 379 D CA 1.346 55.224 54.000 -0.203 0.000 0.834 379 D CB 0.303 40.740 40.800 -0.605 0.000 0.955 379 D HN 0.290 nan 8.370 nan 0.000 0.465 380 E N -0.334 119.931 120.200 0.108 0.000 2.476 380 E HA 0.383 4.732 4.350 -0.001 0.000 0.196 380 E C 0.513 177.227 176.600 0.190 0.000 1.029 380 E CA -0.241 56.270 56.400 0.185 0.000 0.896 380 E CB 1.269 31.207 29.700 0.397 0.000 1.012 380 E HN 0.132 nan 8.360 nan 0.000 0.475 381 G N -0.030 108.868 108.800 0.163 0.000 2.616 381 G HA2 0.306 4.265 3.960 -0.001 0.000 0.294 381 G HA3 0.306 4.265 3.960 -0.001 0.000 0.294 381 G C -2.258 172.743 174.900 0.169 0.000 1.489 381 G CA -0.893 44.300 45.100 0.154 0.000 0.836 381 G HN 0.045 nan 8.290 nan 0.000 0.527 382 W N 2.770 124.054 121.300 -0.026 0.000 2.647 382 W HA 0.531 5.191 4.660 -0.001 0.000 0.328 382 W C -0.672 175.802 176.519 -0.075 0.000 1.018 382 W CA -0.986 56.330 57.345 -0.049 0.000 1.245 382 W CB 1.788 31.212 29.460 -0.061 0.000 1.356 382 W HN 0.448 nan 8.180 nan 0.000 0.443 383 R N 5.240 125.592 120.500 -0.246 0.000 2.586 383 R HA 0.175 4.514 4.340 -0.001 0.000 0.336 383 R C -0.505 175.790 176.300 -0.009 0.000 1.060 383 R CA -0.461 55.587 56.100 -0.087 0.000 1.079 383 R CB 0.384 30.663 30.300 -0.034 0.000 1.317 383 R HN 0.349 nan 8.270 nan 0.000 0.568 384 I N 0.186 120.711 120.570 -0.075 0.000 2.499 384 I HA 0.225 4.395 4.170 -0.001 0.000 0.288 384 I C -0.242 175.995 176.117 0.201 0.000 1.048 384 I CA -1.509 59.816 61.300 0.041 0.000 1.062 384 I CB 1.941 39.772 38.000 -0.282 0.000 1.238 384 I HN 0.022 nan 8.210 nan 0.000 0.426 385 E N 7.351 127.653 120.200 0.169 0.000 2.415 385 E HA 0.195 4.544 4.350 -0.001 0.000 0.263 385 E C -1.203 175.421 176.600 0.039 0.000 0.995 385 E CA -0.090 56.336 56.400 0.043 0.000 0.915 385 E CB 0.582 30.368 29.700 0.145 0.000 0.951 385 E HN 0.482 nan 8.360 nan 0.000 0.449 386 I N 7.017 127.568 120.570 -0.030 0.000 2.411 386 I HA 0.263 4.433 4.170 -0.001 0.000 0.284 386 I C -2.294 173.762 176.117 -0.102 0.000 1.012 386 I CA -2.918 58.347 61.300 -0.059 0.000 1.119 386 I CB 0.971 38.904 38.000 -0.111 0.000 1.261 386 I HN 0.407 nan 8.210 nan 0.000 0.448 387 P HA 0.203 nan 4.420 nan 0.000 0.264 387 P C 0.973 178.215 177.300 -0.097 0.000 1.193 387 P CA 0.822 63.888 63.100 -0.056 0.000 0.763 387 P CB 0.684 32.373 31.700 -0.020 0.000 0.810 388 G N 2.625 111.372 108.800 -0.088 0.000 2.241 388 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.244 388 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.244 388 G C 0.103 174.901 174.900 -0.170 0.000 0.998 388 G CA -0.194 44.848 45.100 -0.097 0.000 0.621 388 G HN 0.504 nan 8.290 nan 0.000 0.519 389 L N 1.815 122.903 121.223 -0.226 0.000 2.678 389 L HA 0.286 4.626 4.340 -0.001 0.000 0.250 389 L C -0.991 175.736 176.870 -0.238 0.000 1.455 389 L CA -1.369 53.309 54.840 -0.270 0.000 0.823 389 L CB 1.435 43.244 42.059 -0.416 0.000 1.107 389 L HN -0.010 nan 8.230 nan 0.000 0.514 390 P HA -0.195 nan 4.420 nan 0.000 0.217 390 P C 0.894 178.065 177.300 -0.214 0.000 1.148 390 P CA 1.372 64.365 63.100 -0.178 0.000 0.828 390 P CB 0.531 32.163 31.700 -0.114 0.000 0.783 391 E N -0.089 120.000 120.200 -0.185 0.000 2.209 391 E HA -0.113 4.236 4.350 -0.001 0.000 0.196 391 E C 2.180 178.625 176.600 -0.258 0.000 0.993 391 E CA 0.687 56.980 56.400 -0.179 0.000 0.819 391 E CB -1.003 28.623 29.700 -0.123 0.000 0.745 391 E HN 0.260 nan 8.360 nan 0.000 0.477 392 L N 0.388 121.382 121.223 -0.382 0.000 2.079 392 L HA -0.217 4.123 4.340 -0.001 0.000 0.210 392 L C 2.391 179.020 176.870 -0.401 0.000 1.081 392 L CA 1.827 56.308 54.840 -0.600 0.000 0.752 392 L CB -0.745 40.609 42.059 -1.175 0.000 0.896 392 L HN 0.371 nan 8.230 nan 0.000 0.433 393 T N -4.859 109.445 114.554 -0.416 0.000 3.033 393 T HA 0.012 4.361 4.350 -0.001 0.000 0.248 393 T C 1.581 176.023 174.700 -0.429 0.000 1.040 393 T CA 0.136 61.898 62.100 -0.562 0.000 1.133 393 T CB -0.081 68.007 68.868 -1.299 0.000 0.895 393 T HN 0.258 nan 8.240 nan 0.000 0.465 394 E N 0.966 120.980 120.200 -0.311 0.000 2.110 394 E HA -0.044 4.306 4.350 -0.001 0.000 0.193 394 E C 2.062 178.599 176.600 -0.106 0.000 0.988 394 E CA 1.125 57.427 56.400 -0.162 0.000 0.804 394 E CB -0.086 29.541 29.700 -0.121 0.000 0.745 394 E HN 0.343 nan 8.360 nan 0.000 0.458 395 V N -0.341 119.504 119.914 -0.115 0.000 2.627 395 V HA 0.048 4.168 4.120 -0.001 0.000 0.239 395 V C 2.172 178.231 176.094 -0.059 0.000 1.077 395 V CA 1.331 63.586 62.300 -0.075 0.000 1.103 395 V CB -0.234 31.544 31.823 -0.075 0.000 0.802 395 V HN 0.339 nan 8.190 nan 0.000 0.482 396 G N 0.146 108.900 108.800 -0.075 0.000 2.559 396 G HA2 -0.055 3.904 3.960 -0.001 0.000 0.216 396 G HA3 -0.055 3.904 3.960 -0.001 0.000 0.216 396 G C 1.368 176.296 174.900 0.046 0.000 1.126 396 G CA 0.884 45.986 45.100 0.003 0.000 0.778 396 G HN 0.597 nan 8.290 nan 0.000 0.543 397 G N -0.649 108.143 108.800 -0.014 0.000 3.042 397 G HA2 0.335 4.295 3.960 -0.001 0.000 0.212 397 G HA3 0.335 4.295 3.960 -0.001 0.000 0.212 397 G C 0.575 175.455 174.900 -0.034 0.000 1.166 397 G CA 0.140 45.240 45.100 0.000 0.000 0.767 397 G HN 0.619 nan 8.290 nan 0.000 0.546 398 Q N -0.510 119.281 119.800 -0.015 0.000 2.389 398 Q HA 0.640 4.980 4.340 -0.001 0.000 0.277 398 Q C -1.334 174.689 176.000 0.039 0.000 1.082 398 Q CA -1.057 54.735 55.803 -0.019 0.000 0.810 398 Q CB 1.903 30.626 28.738 -0.025 0.000 1.374 398 Q HN -0.000 nan 8.270 nan 0.000 0.422 399 R N 0.788 121.344 120.500 0.093 0.000 2.494 399 R HA 0.740 5.079 4.340 -0.001 0.000 0.305 399 R C -0.650 175.714 176.300 0.105 0.000 0.959 399 R CA -0.453 55.723 56.100 0.126 0.000 0.864 399 R CB 1.702 32.129 30.300 0.212 0.000 1.159 399 R HN 0.969 nan 8.270 nan 0.000 0.446 400 c N -0.295 118.341 118.600 0.060 0.000 3.318 400 c HA 0.364 4.933 4.570 -0.001 0.000 0.322 400 c C -0.073 174.029 174.090 0.020 0.000 1.398 400 c CA -1.162 55.191 56.329 0.039 0.000 1.339 400 c CB 1.159 43.683 42.510 0.023 0.000 1.668 400 c HN 0.993 nan 8.230 nan 0.000 0.462 401 H N 1.531 120.542 119.070 -0.099 0.000 3.392 401 H HA 0.411 4.967 4.556 -0.001 0.000 0.253 401 H C -0.480 174.806 175.328 -0.071 0.000 1.682 401 H CA 1.223 57.204 56.048 -0.112 0.000 1.535 401 H CB -0.401 29.251 29.762 -0.182 0.000 1.823 401 H HN 0.736 nan 8.280 nan 0.000 0.576 402 D N 3.824 124.074 120.400 -0.251 0.000 2.469 402 D HA 0.050 4.689 4.640 -0.001 0.000 0.251 402 D C 0.586 176.748 176.300 -0.231 0.000 1.173 402 D CA -0.592 53.292 54.000 -0.193 0.000 0.882 402 D CB 0.690 41.438 40.800 -0.087 0.000 1.129 402 D HN 0.478 nan 8.370 nan 0.000 0.549 403 L N 2.320 123.383 121.223 -0.266 0.000 2.549 403 L HA -0.051 4.288 4.340 -0.001 0.000 0.229 403 L C 1.861 178.668 176.870 -0.104 0.000 1.158 403 L CA 0.873 55.598 54.840 -0.192 0.000 0.842 403 L CB -0.424 41.542 42.059 -0.155 0.000 0.952 403 L HN 0.368 nan 8.230 nan 0.000 0.452 404 S N -1.768 113.884 115.700 -0.079 0.000 2.524 404 S HA -0.003 4.467 4.470 -0.001 0.000 0.216 404 S C 0.756 175.329 174.600 -0.046 0.000 0.987 404 S CA -0.320 57.851 58.200 -0.049 0.000 0.909 404 S CB 0.024 63.205 63.200 -0.032 0.000 0.781 404 S HN 0.433 nan 8.310 nan 0.000 0.521 405 E N 0.498 120.663 120.200 -0.059 0.000 2.360 405 E HA -0.199 4.151 4.350 -0.001 0.000 0.238 405 E C 0.424 177.003 176.600 -0.035 0.000 1.186 405 E CA 0.792 57.164 56.400 -0.047 0.000 0.719 405 E CB -1.987 27.687 29.700 -0.043 0.000 1.236 405 E HN 0.581 nan 8.360 nan 0.000 0.386 406 T N -2.060 112.475 114.554 -0.032 0.000 3.044 406 T HA 0.005 4.355 4.350 -0.001 0.000 0.255 406 T C 1.502 176.186 174.700 -0.027 0.000 1.073 406 T CA 1.458 63.544 62.100 -0.024 0.000 1.125 406 T CB 0.281 69.139 68.868 -0.016 0.000 0.908 406 T HN 0.242 nan 8.240 nan 0.000 0.480 407 T N -0.365 114.172 114.554 -0.028 0.000 3.004 407 T HA 0.385 4.734 4.350 -0.001 0.000 0.266 407 T C -0.147 174.538 174.700 -0.025 0.000 0.986 407 T CA -0.186 61.898 62.100 -0.026 0.000 0.902 407 T CB -0.044 68.813 68.868 -0.019 0.000 1.118 407 T HN 0.411 nan 8.240 nan 0.000 0.522 408 c N 0.582 119.167 118.600 -0.025 0.000 3.318 408 c HA 0.605 5.174 4.570 -0.001 0.000 0.322 408 c C -0.538 173.544 174.090 -0.012 0.000 1.398 408 c CA -1.559 54.763 56.329 -0.013 0.000 1.339 408 c CB 1.122 43.631 42.510 -0.002 0.000 1.668 408 c HN 0.386 nan 8.230 nan 0.000 0.462 409 L N 1.415 122.644 121.223 0.010 0.000 2.439 409 L HA 0.479 4.819 4.340 -0.001 0.000 0.259 409 L C -0.104 176.785 176.870 0.031 0.000 1.129 409 L CA -0.469 54.382 54.840 0.018 0.000 0.803 409 L CB 0.255 42.338 42.059 0.040 0.000 1.161 409 L HN 0.492 nan 8.230 nan 0.000 0.462 410 L N 1.814 123.057 121.223 0.033 0.000 2.461 410 L HA 0.141 4.481 4.340 -0.001 0.000 0.272 410 L C -2.038 174.902 176.870 0.117 0.000 1.197 410 L CA -1.693 53.169 54.840 0.037 0.000 0.836 410 L CB -0.143 41.928 42.059 0.020 0.000 1.105 410 L HN 0.292 nan 8.230 nan 0.000 0.477 411 P HA -0.018 nan 4.420 nan 0.000 0.264 411 P C -0.924 176.558 177.300 0.304 0.000 1.183 411 P CA 0.313 63.562 63.100 0.249 0.000 0.763 411 P CB 0.502 32.418 31.700 0.361 0.000 0.807 412 Q N 1.627 121.488 119.800 0.102 0.000 2.456 412 Q HA 0.273 4.612 4.340 -0.001 0.000 0.284 412 Q C -0.505 175.236 176.000 -0.431 0.000 1.061 412 Q CA -0.679 55.016 55.803 -0.180 0.000 0.799 412 Q CB 1.406 30.032 28.738 -0.187 0.000 1.445 412 Q HN 0.411 nan 8.270 nan 0.000 0.411 413 Y N -0.419 119.648 120.300 -0.389 0.000 4.272 413 Y HA -0.212 4.337 4.550 -0.001 0.000 0.232 413 Y C 0.956 176.679 175.900 -0.296 0.000 1.149 413 Y CA 1.283 59.246 58.100 -0.227 0.000 1.961 413 Y CB -2.175 36.248 38.460 -0.061 0.000 1.611 413 Y HN 1.024 nan 8.280 nan 0.000 0.682 414 G N 0.226 108.728 108.800 -0.498 0.000 2.323 414 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.292 414 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.292 414 G C 0.646 175.538 174.900 -0.014 0.000 1.040 414 G CA 0.517 45.605 45.100 -0.020 0.000 0.942 414 G HN 0.506 nan 8.290 nan 0.000 0.506 415 Q N -0.546 119.177 119.800 -0.128 0.000 2.247 415 Q HA 0.401 4.741 4.340 -0.001 0.000 0.204 415 Q C 1.366 177.350 176.000 -0.028 0.000 0.872 415 Q CA 0.732 56.424 55.803 -0.184 0.000 0.951 415 Q CB 0.879 29.236 28.738 -0.634 0.000 1.099 415 Q HN 1.881 nan 8.270 nan 0.000 0.501 416 G N 2.145 110.993 108.800 0.079 0.000 2.663 416 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.686 416 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.686 416 G C -2.371 172.478 174.900 -0.086 0.000 1.288 416 G CA -0.403 44.724 45.100 0.044 0.000 0.836 416 G HN -0.019 nan 8.290 nan 0.000 0.584 417 P HA 0.124 nan 4.420 nan 0.000 0.226 417 P C 0.313 177.478 177.300 -0.225 0.000 1.161 417 P CA 0.774 63.490 63.100 -0.640 0.000 0.804 417 P CB 0.094 31.029 31.700 -1.274 0.000 0.829 418 D N 0.242 120.566 120.400 -0.128 0.000 2.360 418 D HA 0.064 4.704 4.640 -0.001 0.000 0.242 418 D C 0.311 176.629 176.300 0.029 0.000 1.184 418 D CA -0.405 53.574 54.000 -0.035 0.000 0.930 418 D CB 0.408 41.200 40.800 -0.013 0.000 1.161 418 D HN -0.222 nan 8.370 nan 0.000 0.447 419 V N 1.439 121.374 119.914 0.035 0.000 2.678 419 V HA -0.121 3.999 4.120 -0.001 0.000 0.304 419 V C -0.235 175.924 176.094 0.109 0.000 1.086 419 V CA 0.925 63.256 62.300 0.051 0.000 1.246 419 V CB -0.908 30.924 31.823 0.015 0.000 0.861 419 V HN 0.436 nan 8.190 nan 0.000 0.491 420 Y N 4.032 124.337 120.300 0.009 0.000 2.457 420 Y HA 0.763 5.313 4.550 -0.000 0.000 0.343 420 Y C 0.149 176.054 175.900 0.009 0.000 0.994 420 Y CA 0.342 58.452 58.100 0.017 0.000 1.031 420 Y CB 1.990 40.472 38.460 0.038 0.000 1.246 420 Y HN 0.918 nan 8.280 nan 0.000 0.449 421 G N 1.860 109.985 108.800 -1.126 0.000 2.373 421 G HA2 0.517 4.476 3.960 -0.001 0.000 0.250 421 G HA3 0.517 4.476 3.960 -0.001 0.000 0.250 421 G C -0.574 173.899 174.900 -0.711 0.000 1.304 421 G CA -0.038 44.575 45.100 -0.812 0.000 0.948 421 G HN 1.833 nan 8.290 nan 0.000 0.474 422 G N -1.859 106.505 108.800 -0.727 0.000 2.361 422 G HA2 0.693 4.652 3.960 -0.001 0.000 0.305 422 G HA3 0.693 4.652 3.960 -0.001 0.000 0.305 422 G C -1.078 173.016 174.900 -1.343 0.000 1.367 422 G CA 0.392 44.835 45.100 -1.094 0.000 0.951 422 G HN 2.342 nan 8.290 nan 0.000 0.615 423 F N -2.237 116.948 119.950 -1.275 0.000 2.744 423 F HA 0.764 5.291 4.527 -0.001 0.000 0.311 423 F C -1.534 173.976 175.800 -0.484 0.000 1.144 423 F CA -2.231 55.261 58.000 -0.846 0.000 0.938 423 F CB 0.579 39.355 39.000 -0.373 0.000 1.292 423 F HN 0.476 nan 8.300 nan 0.000 0.444 424 F N 2.199 122.293 119.950 0.240 0.000 2.427 424 F HA 0.516 5.042 4.527 -0.001 0.000 0.352 424 F C 1.057 177.033 175.800 0.294 0.000 1.100 424 F CA -0.362 57.782 58.000 0.240 0.000 1.191 424 F CB 1.023 40.206 39.000 0.305 0.000 1.128 424 F HN 0.721 nan 8.300 nan 0.000 0.533 425 S N 3.287 119.199 115.700 0.352 0.000 2.608 425 S HA 0.224 4.694 4.470 -0.001 0.000 0.261 425 S C 1.513 176.294 174.600 0.303 0.000 1.314 425 S CA -0.697 57.704 58.200 0.334 0.000 0.992 425 S CB 0.832 64.154 63.200 0.203 0.000 0.935 425 S HN 0.790 nan 8.310 nan 0.000 0.564 426 R N 0.188 120.826 120.500 0.230 0.000 2.103 426 R HA -0.203 4.137 4.340 -0.001 0.000 0.242 426 R C 2.384 178.807 176.300 0.205 0.000 1.142 426 R CA 2.002 58.224 56.100 0.202 0.000 0.960 426 R CB -0.550 29.834 30.300 0.140 0.000 0.858 426 R HN 0.791 nan 8.270 nan 0.000 0.439 427 Q N 0.675 120.572 119.800 0.162 0.000 2.119 427 Q HA -0.150 4.190 4.340 -0.001 0.000 0.201 427 Q C 1.330 177.411 176.000 0.134 0.000 0.972 427 Q CA 2.068 57.947 55.803 0.126 0.000 0.847 427 Q CB -0.151 28.644 28.738 0.094 0.000 0.903 427 Q HN 0.358 nan 8.270 nan 0.000 0.433 428 D N -1.053 119.458 120.400 0.186 0.000 2.123 428 D HA -0.181 4.458 4.640 -0.001 0.000 0.196 428 D C 1.556 177.942 176.300 0.144 0.000 0.992 428 D CA 1.207 55.323 54.000 0.193 0.000 0.833 428 D CB -0.363 40.652 40.800 0.358 0.000 0.954 428 D HN 0.359 nan 8.370 nan 0.000 0.455 429 Y N 1.160 121.512 120.300 0.086 0.000 2.163 429 Y HA -0.110 4.439 4.550 -0.001 0.000 0.288 429 Y C 2.260 178.147 175.900 -0.022 0.000 1.136 429 Y CA 1.112 59.219 58.100 0.012 0.000 1.147 429 Y CB -0.397 38.096 38.460 0.055 0.000 0.987 429 Y HN -0.107 nan 8.280 nan 0.000 0.509 430 I N 0.190 120.795 120.570 0.057 0.000 2.208 430 I HA -0.349 3.820 4.170 -0.001 0.000 0.245 430 I C 1.921 177.983 176.117 -0.091 0.000 1.097 430 I CA 1.672 62.942 61.300 -0.050 0.000 1.363 430 I CB -0.421 37.602 38.000 0.039 0.000 1.051 430 I HN 0.233 nan 8.210 nan 0.000 0.413 431 D N 0.833 121.210 120.400 -0.037 0.000 2.123 431 D HA -0.169 4.470 4.640 -0.001 0.000 0.196 431 D C 2.242 178.498 176.300 -0.073 0.000 0.992 431 D CA 1.400 55.382 54.000 -0.030 0.000 0.833 431 D CB -0.227 40.569 40.800 -0.008 0.000 0.954 431 D HN 0.352 nan 8.370 nan 0.000 0.455 432 I N 0.619 121.088 120.570 -0.167 0.000 2.226 432 I HA -0.231 3.939 4.170 -0.001 0.000 0.245 432 I C 2.347 178.348 176.117 -0.193 0.000 1.100 432 I CA 0.747 61.912 61.300 -0.225 0.000 1.374 432 I CB -0.116 37.700 38.000 -0.306 0.000 1.057 432 I HN -0.034 nan 8.210 nan 0.000 0.413 433 I N 0.602 120.991 120.570 -0.301 0.000 2.226 433 I HA -0.290 3.880 4.170 -0.001 0.000 0.245 433 I C 2.431 178.471 176.117 -0.128 0.000 1.100 433 I CA 1.435 62.577 61.300 -0.263 0.000 1.374 433 I CB -0.376 37.371 38.000 -0.421 0.000 1.057 433 I HN 0.140 nan 8.210 nan 0.000 0.413 434 K N -0.069 120.276 120.400 -0.092 0.000 2.103 434 K HA -0.237 4.082 4.320 -0.001 0.000 0.207 434 K C 2.179 178.757 176.600 -0.036 0.000 1.048 434 K CA 1.671 57.928 56.287 -0.048 0.000 0.930 434 K CB -0.326 32.161 32.500 -0.023 0.000 0.716 434 K HN 0.245 nan 8.250 nan 0.000 0.444 435 Y N 1.063 121.280 120.300 -0.139 0.000 2.200 435 Y HA -0.222 4.328 4.550 -0.001 0.000 0.290 435 Y C 2.235 178.038 175.900 -0.162 0.000 1.137 435 Y CA 1.406 59.422 58.100 -0.140 0.000 1.163 435 Y CB -0.204 38.163 38.460 -0.154 0.000 0.988 435 Y HN 0.051 nan 8.280 nan 0.000 0.518 436 A N -0.240 122.580 122.820 0.001 0.000 1.902 436 A HA -0.263 4.056 4.320 -0.001 0.000 0.217 436 A C 2.100 179.601 177.584 -0.138 0.000 1.181 436 A CA 1.840 53.827 52.037 -0.084 0.000 0.623 436 A CB -0.898 18.055 19.000 -0.078 0.000 0.818 436 A HN 0.537 nan 8.150 nan 0.000 0.443 437 Q N 0.187 119.915 119.800 -0.120 0.000 2.096 437 Q HA -0.099 4.240 4.340 -0.001 0.000 0.204 437 Q C 1.966 177.842 176.000 -0.208 0.000 0.982 437 Q CA 2.374 58.096 55.803 -0.134 0.000 0.850 437 Q CB -0.713 27.971 28.738 -0.090 0.000 0.901 437 Q HN 0.557 nan 8.270 nan 0.000 0.422 438 A N 0.185 122.870 122.820 -0.225 0.000 2.024 438 A HA -0.152 4.168 4.320 -0.001 0.000 0.220 438 A C 1.745 179.086 177.584 -0.405 0.000 1.164 438 A CA 1.597 53.474 52.037 -0.266 0.000 0.643 438 A CB -0.345 18.492 19.000 -0.271 0.000 0.806 438 A HN 0.392 nan 8.150 nan 0.000 0.451 439 R N -0.869 119.375 120.500 -0.427 0.000 2.466 439 R HA 0.114 4.453 4.340 -0.001 0.000 0.279 439 R C -0.275 175.638 176.300 -0.645 0.000 0.976 439 R CA 0.053 55.806 56.100 -0.579 0.000 1.081 439 R CB 0.339 30.484 30.300 -0.259 0.000 1.215 439 R HN 0.437 nan 8.270 nan 0.000 0.546 440 Q N -0.734 118.738 119.800 -0.547 0.000 2.494 440 Q HA -0.209 4.130 4.340 -0.001 0.000 0.272 440 Q C -0.554 175.357 176.000 -0.148 0.000 1.145 440 Q CA 1.095 56.665 55.803 -0.387 0.000 0.943 440 Q CB -2.391 25.996 28.738 -0.585 0.000 1.338 440 Q HN 0.438 nan 8.270 nan 0.000 0.492 441 I N 0.901 121.395 120.570 -0.127 0.000 2.378 441 I HA 0.244 4.413 4.170 -0.001 0.000 0.291 441 I C 0.666 176.770 176.117 -0.020 0.000 0.992 441 I CA -0.476 60.799 61.300 -0.041 0.000 1.154 441 I CB 1.769 39.743 38.000 -0.043 0.000 1.315 441 I HN 0.035 nan 8.210 nan 0.000 0.448 442 E N 6.232 126.435 120.200 0.005 0.000 2.200 442 E HA 0.357 4.707 4.350 -0.001 0.000 0.283 442 E C -1.312 175.331 176.600 0.071 0.000 1.015 442 E CA -0.591 55.827 56.400 0.031 0.000 0.819 442 E CB 1.418 31.130 29.700 0.021 0.000 1.081 442 E HN 0.350 nan 8.360 nan 0.000 0.397 443 V N 6.815 126.805 119.914 0.127 0.000 2.406 443 V HA 0.246 4.365 4.120 -0.001 0.000 0.272 443 V C 0.241 176.441 176.094 0.177 0.000 1.043 443 V CA -0.326 62.086 62.300 0.187 0.000 0.915 443 V CB 0.915 32.871 31.823 0.221 0.000 0.988 443 V HN 0.652 nan 8.190 nan 0.000 0.466 444 I N 8.331 128.938 120.570 0.062 0.000 2.354 444 I HA 0.345 4.514 4.170 -0.001 0.000 0.286 444 I C -2.259 173.809 176.117 -0.081 0.000 1.007 444 I CA -1.940 59.345 61.300 -0.026 0.000 1.167 444 I CB 2.267 40.222 38.000 -0.076 0.000 1.320 444 I HN 0.426 nan 8.210 nan 0.000 0.458 445 P HA 0.149 nan 4.420 nan 0.000 0.281 445 P C -0.918 176.033 177.300 -0.582 0.000 1.252 445 P CA -0.213 62.733 63.100 -0.257 0.000 0.778 445 P CB 1.232 32.771 31.700 -0.269 0.000 0.895 446 E N 3.660 123.596 120.200 -0.439 0.000 2.158 446 E HA 0.373 4.723 4.350 -0.001 0.000 0.271 446 E C -0.904 175.424 176.600 -0.454 0.000 0.911 446 E CA -0.723 55.415 56.400 -0.438 0.000 0.767 446 E CB 0.829 30.398 29.700 -0.220 0.000 1.120 446 E HN 0.270 nan 8.360 nan 0.000 0.405 447 I N 4.510 124.882 120.570 -0.330 0.000 2.555 447 I HA 0.152 4.322 4.170 -0.001 0.000 0.275 447 I C -0.143 175.998 176.117 0.040 0.000 1.082 447 I CA -0.714 60.494 61.300 -0.153 0.000 1.167 447 I CB 0.566 38.650 38.000 0.141 0.000 1.312 447 I HN 0.617 nan 8.210 nan 0.000 0.493 448 D N 7.868 128.237 120.400 -0.051 0.000 2.488 448 D HA 0.318 4.958 4.640 -0.001 0.000 0.238 448 D C -0.161 176.210 176.300 0.117 0.000 1.138 448 D CA 0.676 54.725 54.000 0.082 0.000 0.873 448 D CB 0.681 41.575 40.800 0.157 0.000 1.183 448 D HN 0.526 nan 8.370 nan 0.000 0.458 449 M N 1.647 121.248 119.600 0.001 0.000 2.643 449 M HA 0.347 4.826 4.480 -0.001 0.000 0.276 449 M C -2.735 173.525 176.300 -0.068 0.000 1.200 449 M CA -1.304 54.036 55.300 0.068 0.000 0.863 449 M CB 2.728 35.478 32.600 0.250 0.000 1.711 449 M HN -0.112 nan 8.290 nan 0.000 0.492 450 P HA 0.202 nan 4.420 nan 0.000 0.245 450 P C 0.306 177.790 177.300 0.306 0.000 1.203 450 P CA 0.764 64.034 63.100 0.283 0.000 0.792 450 P CB 0.380 32.250 31.700 0.284 0.000 0.997 451 A N -0.263 122.696 122.820 0.232 0.000 2.450 451 A HA 0.381 4.701 4.320 -0.001 0.000 0.281 451 A C 0.489 178.063 177.584 -0.017 0.000 1.372 451 A CA -0.317 51.677 52.037 -0.073 0.000 0.886 451 A CB -0.807 18.062 19.000 -0.219 0.000 1.462 451 A HN 0.227 nan 8.150 nan 0.000 0.514 452 H N -2.368 116.601 119.070 -0.168 0.000 2.690 452 H HA -0.211 4.345 4.556 -0.001 0.000 0.309 452 H C 0.666 175.970 175.328 -0.041 0.000 1.138 452 H CA 0.983 56.984 56.048 -0.078 0.000 1.142 452 H CB -1.505 28.280 29.762 0.039 0.000 1.410 452 H HN 0.907 nan 8.280 nan 0.000 0.409 453 A N 0.071 122.864 122.820 -0.045 0.000 2.610 453 A HA 0.179 4.498 4.320 -0.001 0.000 0.291 453 A C 1.909 179.462 177.584 -0.051 0.000 1.116 453 A CA 0.257 52.310 52.037 0.027 0.000 0.963 453 A CB 0.187 19.227 19.000 0.066 0.000 1.220 453 A HN 0.333 nan 8.150 nan 0.000 0.530 454 R N 0.048 120.446 120.500 -0.170 0.000 2.096 454 R HA -0.146 4.194 4.340 -0.001 0.000 0.235 454 R C 2.117 178.342 176.300 -0.124 0.000 1.127 454 R CA 1.735 57.700 56.100 -0.225 0.000 0.968 454 R CB -0.176 29.828 30.300 -0.493 0.000 0.861 454 R HN 0.486 nan 8.270 nan 0.000 0.440 455 A N 0.652 123.446 122.820 -0.043 0.000 1.883 455 A HA -0.143 4.177 4.320 -0.001 0.000 0.217 455 A C 2.355 179.944 177.584 0.007 0.000 1.186 455 A CA 1.804 53.861 52.037 0.034 0.000 0.624 455 A CB -0.875 18.221 19.000 0.159 0.000 0.822 455 A HN 0.535 nan 8.150 nan 0.000 0.444 456 A N -0.677 122.178 122.820 0.058 0.000 1.902 456 A HA 0.019 4.338 4.320 -0.001 0.000 0.217 456 A C 2.246 179.685 177.584 -0.243 0.000 1.181 456 A CA 1.779 53.733 52.037 -0.138 0.000 0.623 456 A CB -0.974 17.992 19.000 -0.057 0.000 0.818 456 A HN 0.399 nan 8.150 nan 0.000 0.443 457 V N -0.368 119.440 119.914 -0.177 0.000 2.295 457 V HA -0.232 3.888 4.120 -0.001 0.000 0.246 457 V C 2.553 178.571 176.094 -0.127 0.000 1.049 457 V CA 2.059 64.260 62.300 -0.166 0.000 1.024 457 V CB -0.777 30.986 31.823 -0.099 0.000 0.648 457 V HN 0.365 nan 8.190 nan 0.000 0.447 458 V N -0.371 119.481 119.914 -0.103 0.000 2.515 458 V HA -0.203 3.916 4.120 -0.001 0.000 0.250 458 V C 2.526 178.574 176.094 -0.078 0.000 1.058 458 V CA 2.128 64.381 62.300 -0.078 0.000 1.064 458 V CB -0.450 31.332 31.823 -0.068 0.000 0.675 458 V HN 0.537 nan 8.190 nan 0.000 0.461 459 S N -0.534 115.102 115.700 -0.107 0.000 2.368 459 S HA -0.118 4.352 4.470 -0.001 0.000 0.224 459 S C 1.957 176.499 174.600 -0.097 0.000 1.029 459 S CA 1.310 59.439 58.200 -0.118 0.000 0.988 459 S CB -0.256 62.831 63.200 -0.188 0.000 0.838 459 S HN 0.366 nan 8.310 nan 0.000 0.462 460 M N 1.141 120.669 119.600 -0.120 0.000 2.319 460 M HA 0.064 4.543 4.480 -0.001 0.000 0.265 460 M C 1.852 178.160 176.300 0.013 0.000 1.068 460 M CA 0.977 56.241 55.300 -0.060 0.000 1.118 460 M CB -1.121 31.397 32.600 -0.136 0.000 1.395 460 M HN 0.183 nan 8.290 nan 0.000 0.435 461 E N 0.442 120.634 120.200 -0.013 0.000 2.047 461 E HA -0.061 4.289 4.350 -0.001 0.000 0.191 461 E C 2.131 178.773 176.600 0.070 0.000 0.987 461 E CA 1.445 57.864 56.400 0.031 0.000 0.799 461 E CB -0.332 29.361 29.700 -0.011 0.000 0.752 461 E HN 0.448 nan 8.360 nan 0.000 0.449 462 A N 1.547 124.377 122.820 0.018 0.000 1.902 462 A HA -0.216 4.103 4.320 -0.001 0.000 0.217 462 A C 2.231 179.830 177.584 0.025 0.000 1.181 462 A CA 1.810 53.856 52.037 0.014 0.000 0.623 462 A CB -0.527 18.461 19.000 -0.020 0.000 0.818 462 A HN 0.159 nan 8.150 nan 0.000 0.443 463 R N -1.939 118.578 120.500 0.028 0.000 2.081 463 R HA -0.202 4.137 4.340 -0.001 0.000 0.235 463 R C 2.075 178.410 176.300 0.057 0.000 1.131 463 R CA 1.940 58.062 56.100 0.036 0.000 0.960 463 R CB -0.544 29.785 30.300 0.049 0.000 0.856 463 R HN 0.608 nan 8.270 nan 0.000 0.436 464 Y N 1.687 121.997 120.300 0.016 0.000 2.128 464 Y HA -0.254 4.296 4.550 -0.001 0.000 0.284 464 Y C 1.942 177.875 175.900 0.055 0.000 1.154 464 Y CA 1.770 59.885 58.100 0.026 0.000 1.149 464 Y CB -0.022 38.432 38.460 -0.011 0.000 0.976 464 Y HN -0.069 nan 8.280 nan 0.000 0.505 465 K N 0.897 121.300 120.400 0.004 0.000 1.991 465 K HA -0.238 4.082 4.320 -0.001 0.000 0.212 465 K C 2.164 178.734 176.600 -0.049 0.000 1.049 465 K CA 1.851 58.132 56.287 -0.010 0.000 0.932 465 K CB -0.693 31.855 32.500 0.080 0.000 0.717 465 K HN 0.387 nan 8.250 nan 0.000 0.441 466 K N 1.165 121.544 120.400 -0.035 0.000 2.020 466 K HA -0.152 4.168 4.320 -0.001 0.000 0.212 466 K C 2.332 178.887 176.600 -0.075 0.000 1.050 466 K CA 1.371 57.632 56.287 -0.042 0.000 0.929 466 K CB -0.230 32.252 32.500 -0.029 0.000 0.714 466 K HN 0.033 nan 8.250 nan 0.000 0.443 467 L N -0.037 121.128 121.223 -0.097 0.000 2.017 467 L HA -0.211 4.128 4.340 -0.001 0.000 0.208 467 L C 2.775 179.549 176.870 -0.160 0.000 1.073 467 L CA 1.763 56.538 54.840 -0.109 0.000 0.745 467 L CB -0.728 41.285 42.059 -0.078 0.000 0.894 467 L HN 0.435 nan 8.230 nan 0.000 0.432 468 H N 0.275 119.119 119.070 -0.375 0.000 2.353 468 H HA -0.190 4.366 4.556 -0.001 0.000 0.298 468 H C 2.082 177.290 175.328 -0.199 0.000 1.103 468 H CA 1.664 57.477 56.048 -0.391 0.000 1.293 468 H CB 0.020 29.369 29.762 -0.689 0.000 1.372 468 H HN 0.300 nan 8.280 nan 0.000 0.501 469 A N 0.215 122.914 122.820 -0.202 0.000 2.070 469 A HA 0.035 4.355 4.320 -0.001 0.000 0.220 469 A C 2.358 179.831 177.584 -0.184 0.000 1.159 469 A CA 1.373 53.298 52.037 -0.187 0.000 0.656 469 A CB -0.888 18.070 19.000 -0.069 0.000 0.800 469 A HN 0.612 nan 8.150 nan 0.000 0.453 470 A N -2.078 120.645 122.820 -0.162 0.000 2.275 470 A HA 0.438 4.757 4.320 -0.001 0.000 0.212 470 A C 1.726 179.228 177.584 -0.137 0.000 1.201 470 A CA 1.088 53.053 52.037 -0.120 0.000 0.843 470 A CB -0.688 18.261 19.000 -0.085 0.000 0.873 470 A HN 1.799 nan 8.150 nan 0.000 0.492 471 G N -0.261 108.415 108.800 -0.206 0.000 2.143 471 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.249 471 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.249 471 G C 0.252 175.080 174.900 -0.119 0.000 0.981 471 G CA 0.475 45.464 45.100 -0.186 0.000 0.665 471 G HN 0.522 nan 8.290 nan 0.000 0.528 472 K N 0.374 120.710 120.400 -0.106 0.000 2.518 472 K HA 0.318 4.638 4.320 -0.001 0.000 0.244 472 K C 1.234 177.804 176.600 -0.050 0.000 1.232 472 K CA -0.103 56.146 56.287 -0.064 0.000 1.189 472 K CB 0.542 33.009 32.500 -0.055 0.000 1.737 472 K HN 0.247 nan 8.250 nan 0.000 0.333 473 E N 1.216 121.401 120.200 -0.026 0.000 2.153 473 E HA -0.210 4.140 4.350 -0.001 0.000 0.194 473 E C 1.149 177.777 176.600 0.046 0.000 0.988 473 E CA 1.668 58.088 56.400 0.034 0.000 0.811 473 E CB 0.298 30.045 29.700 0.079 0.000 0.746 473 E HN 0.323 nan 8.360 nan 0.000 0.466 474 Q N 0.040 119.850 119.800 0.016 0.000 2.137 474 Q HA -0.011 4.329 4.340 -0.001 0.000 0.198 474 Q C 1.918 177.911 176.000 -0.012 0.000 0.960 474 Q CA 1.329 57.135 55.803 0.005 0.000 0.847 474 Q CB 0.008 28.738 28.738 -0.012 0.000 0.915 474 Q HN 0.377 nan 8.270 nan 0.000 0.448 475 E N 0.282 120.474 120.200 -0.014 0.000 2.110 475 E HA -0.150 4.200 4.350 -0.001 0.000 0.193 475 E C 1.867 178.480 176.600 0.021 0.000 0.988 475 E CA 0.929 57.323 56.400 -0.009 0.000 0.804 475 E CB -0.149 29.550 29.700 -0.001 0.000 0.745 475 E HN 0.374 nan 8.360 nan 0.000 0.458 476 A N 1.673 124.501 122.820 0.013 0.000 1.930 476 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 476 A C 1.824 179.565 177.584 0.262 0.000 1.175 476 A CA 1.259 53.312 52.037 0.025 0.000 0.627 476 A CB -0.236 18.605 19.000 -0.265 0.000 0.815 476 A HN 0.112 nan 8.150 nan 0.000 0.443 477 N N -0.574 118.259 118.700 0.223 0.000 2.463 477 N HA -0.047 4.693 4.740 -0.001 0.000 0.181 477 N C 1.486 177.015 175.510 0.031 0.000 1.078 477 N CA 0.841 53.996 53.050 0.176 0.000 0.902 477 N CB -0.139 38.420 38.487 0.120 0.000 0.970 477 N HN 0.752 nan 8.380 nan 0.000 0.451 478 E N -0.190 119.962 120.200 -0.081 0.000 2.086 478 E HA -0.165 4.184 4.350 -0.001 0.000 0.200 478 E C -0.003 176.330 176.600 -0.444 0.000 1.012 478 E CA 1.355 57.536 56.400 -0.365 0.000 0.812 478 E CB 0.027 29.332 29.700 -0.658 0.000 0.743 478 E HN 0.258 nan 8.360 nan 0.000 0.453 479 F N -0.305 119.715 119.950 0.117 0.000 2.735 479 F HA 0.322 4.848 4.527 -0.001 0.000 0.308 479 F C 0.533 176.393 175.800 0.100 0.000 1.112 479 F CA -0.547 57.555 58.000 0.171 0.000 1.235 479 F CB 0.328 39.472 39.000 0.239 0.000 1.027 479 F HN -0.212 nan 8.300 nan 0.000 0.528 480 R N 1.452 122.050 120.500 0.163 0.000 2.570 480 R HA 0.167 4.506 4.340 -0.001 0.000 0.277 480 R C 0.553 176.841 176.300 -0.021 0.000 1.039 480 R CA 0.245 56.375 56.100 0.051 0.000 1.065 480 R CB 0.412 30.709 30.300 -0.004 0.000 0.964 480 R HN 0.366 nan 8.270 nan 0.000 0.428 481 L N 4.015 125.178 121.223 -0.100 0.000 2.728 481 L HA 0.248 4.588 4.340 -0.001 0.000 0.238 481 L C -0.580 176.239 176.870 -0.084 0.000 1.143 481 L CA -0.190 54.572 54.840 -0.130 0.000 0.937 481 L CB 0.973 42.882 42.059 -0.251 0.000 1.225 481 L HN 0.305 nan 8.230 nan 0.000 0.507 482 V N -0.267 119.596 119.914 -0.085 0.000 2.680 482 V HA 0.291 4.411 4.120 -0.001 0.000 0.309 482 V C -0.763 175.279 176.094 -0.085 0.000 1.052 482 V CA -0.733 61.526 62.300 -0.068 0.000 0.908 482 V CB 2.639 34.404 31.823 -0.095 0.000 1.001 482 V HN 0.002 nan 8.190 nan 0.000 0.431 483 D N 3.420 123.791 120.400 -0.048 0.000 2.274 483 D HA 0.153 4.793 4.640 -0.001 0.000 0.239 483 D C 0.790 177.047 176.300 -0.072 0.000 1.104 483 D CA -0.279 53.686 54.000 -0.059 0.000 0.840 483 D CB 1.837 42.620 40.800 -0.028 0.000 1.100 483 D HN 0.382 nan 8.370 nan 0.000 0.477 484 Q N 1.920 121.655 119.800 -0.109 0.000 2.443 484 Q HA -0.094 4.245 4.340 -0.001 0.000 0.213 484 Q C 1.348 177.302 176.000 -0.076 0.000 0.982 484 Q CA 1.174 56.905 55.803 -0.120 0.000 0.894 484 Q CB -0.132 28.516 28.738 -0.150 0.000 0.947 484 Q HN 0.731 nan 8.270 nan 0.000 0.480 485 T N -4.116 110.406 114.554 -0.052 0.000 3.023 485 T HA 0.051 4.400 4.350 -0.001 0.000 0.253 485 T C 0.421 175.105 174.700 -0.027 0.000 1.038 485 T CA -0.317 61.761 62.100 -0.037 0.000 0.962 485 T CB 0.220 69.071 68.868 -0.028 0.000 1.018 485 T HN -0.134 nan 8.240 nan 0.000 0.521 486 D N 3.636 124.023 120.400 -0.022 0.000 2.346 486 D HA 0.095 4.734 4.640 -0.001 0.000 0.267 486 D C 1.058 177.344 176.300 -0.023 0.000 1.320 486 D CA 0.339 54.335 54.000 -0.007 0.000 0.951 486 D CB 0.928 41.743 40.800 0.025 0.000 1.079 486 D HN 0.466 nan 8.370 nan 0.000 0.509 487 T N -0.356 114.180 114.554 -0.029 0.000 3.214 487 T HA 0.186 4.536 4.350 -0.001 0.000 0.264 487 T C 0.566 175.232 174.700 -0.056 0.000 1.012 487 T CA -0.641 61.436 62.100 -0.040 0.000 0.901 487 T CB -0.160 68.687 68.868 -0.037 0.000 1.070 487 T HN 0.092 nan 8.240 nan 0.000 0.561 488 S N 3.231 118.888 115.700 -0.070 0.000 2.563 488 S HA 0.201 4.670 4.470 -0.001 0.000 0.284 488 S C 0.246 174.769 174.600 -0.128 0.000 1.331 488 S CA -0.455 57.676 58.200 -0.115 0.000 1.047 488 S CB 0.193 63.290 63.200 -0.172 0.000 0.859 488 S HN 0.626 nan 8.310 nan 0.000 0.514 489 N N 1.534 120.154 118.700 -0.133 0.000 2.626 489 N HA 0.329 5.068 4.740 -0.001 0.000 0.242 489 N C -1.025 174.392 175.510 -0.155 0.000 1.005 489 N CA -0.195 52.785 53.050 -0.116 0.000 0.905 489 N CB 1.174 39.609 38.487 -0.088 0.000 1.128 489 N HN 0.556 nan 8.380 nan 0.000 0.512 490 T N 1.248 115.694 114.554 -0.179 0.000 2.893 490 T HA 0.535 4.885 4.350 -0.001 0.000 0.293 490 T C -1.035 173.619 174.700 -0.077 0.000 1.027 490 T CA -0.379 61.592 62.100 -0.214 0.000 0.988 490 T CB 0.886 69.460 68.868 -0.489 0.000 1.043 490 T HN 0.273 nan 8.240 nan 0.000 0.461 491 T N 3.446 117.974 114.554 -0.042 0.000 2.770 491 T HA 0.533 4.883 4.350 -0.001 0.000 0.283 491 T C 0.368 175.085 174.700 0.028 0.000 0.988 491 T CA -0.581 61.534 62.100 0.026 0.000 0.957 491 T CB 1.008 69.880 68.868 0.006 0.000 0.930 491 T HN 0.847 nan 8.240 nan 0.000 0.443 492 S N 2.494 118.225 115.700 0.052 0.000 2.608 492 S HA 0.206 4.676 4.470 -0.001 0.000 0.261 492 S C 1.649 176.089 174.600 -0.268 0.000 1.314 492 S CA -0.718 57.447 58.200 -0.059 0.000 0.992 492 S CB 0.562 63.681 63.200 -0.136 0.000 0.935 492 S HN 0.341 nan 8.310 nan 0.000 0.564 493 V N 1.345 121.093 119.914 -0.277 0.000 2.568 493 V HA -0.124 3.995 4.120 -0.001 0.000 0.253 493 V C 1.924 177.651 176.094 -0.611 0.000 1.072 493 V CA 1.914 63.982 62.300 -0.387 0.000 1.084 493 V CB -1.019 30.663 31.823 -0.235 0.000 0.676 493 V HN 0.840 nan 8.190 nan 0.000 0.469 494 Q N -1.430 118.137 119.800 -0.388 0.000 2.201 494 Q HA 0.326 4.666 4.340 -0.001 0.000 0.217 494 Q C 0.043 175.853 176.000 -0.316 0.000 0.860 494 Q CA -0.225 55.414 55.803 -0.273 0.000 0.984 494 Q CB 0.004 28.804 28.738 0.104 0.000 1.095 494 Q HN 0.544 nan 8.270 nan 0.000 0.477 495 F N -2.353 117.524 119.950 -0.121 0.000 3.074 495 F HA -0.277 4.250 4.527 -0.000 0.000 0.289 495 F C -0.201 175.490 175.800 -0.181 0.000 0.863 495 F CA -0.058 57.864 58.000 -0.129 0.000 1.121 495 F CB -2.679 36.209 39.000 -0.186 0.000 1.169 495 F HN 0.032 nan 8.300 nan 0.000 0.570 496 F N -0.091 119.907 119.950 0.080 0.000 2.291 496 F HA 0.434 4.961 4.527 -0.000 0.000 0.305 496 F C 1.328 177.159 175.800 0.052 0.000 1.171 496 F CA -0.199 57.822 58.000 0.035 0.000 1.090 496 F CB 0.192 39.160 39.000 -0.053 0.000 1.436 496 F HN 0.017 nan 8.300 nan 0.000 0.509 497 N N 0.169 119.025 118.700 0.259 0.000 3.117 497 N HA 0.170 4.910 4.740 -0.001 0.000 0.332 497 N C 1.290 176.944 175.510 0.239 0.000 1.385 497 N CA -0.266 52.890 53.050 0.177 0.000 0.683 497 N CB 0.425 38.962 38.487 0.084 0.000 1.272 497 N HN 0.545 nan 8.380 nan 0.000 0.522 498 R N 0.659 121.228 120.500 0.114 0.000 2.193 498 R HA 0.007 4.346 4.340 -0.001 0.000 0.229 498 R C 1.211 177.634 176.300 0.205 0.000 1.110 498 R CA 1.323 57.493 56.100 0.116 0.000 0.988 498 R CB -0.320 29.951 30.300 -0.049 0.000 0.871 498 R HN 0.501 nan 8.270 nan 0.000 0.458 499 Q N 0.554 120.418 119.800 0.107 0.000 2.500 499 Q HA -0.055 4.285 4.340 -0.001 0.000 0.213 499 Q C 1.704 177.690 176.000 -0.024 0.000 0.974 499 Q CA 1.171 56.997 55.803 0.039 0.000 0.918 499 Q CB 0.171 28.906 28.738 -0.005 0.000 0.980 499 Q HN 0.394 nan 8.270 nan 0.000 0.505 500 S N -0.494 115.172 115.700 -0.056 0.000 2.461 500 S HA -0.046 4.423 4.470 -0.001 0.000 0.228 500 S C -0.112 174.277 174.600 -0.352 0.000 1.005 500 S CA 0.202 58.207 58.200 -0.325 0.000 0.942 500 S CB 0.159 63.057 63.200 -0.503 0.000 0.776 500 S HN 0.237 nan 8.310 nan 0.000 0.514 501 Y N 1.907 122.194 120.300 -0.021 0.000 2.385 501 Y HA 0.460 5.009 4.550 -0.001 0.000 0.341 501 Y C 0.099 176.159 175.900 0.266 0.000 0.965 501 Y CA -1.078 57.102 58.100 0.133 0.000 1.180 501 Y CB 0.485 38.943 38.460 -0.003 0.000 1.139 501 Y HN 0.129 nan 8.280 nan 0.000 0.502 502 L N 4.030 125.429 121.223 0.293 0.000 2.490 502 L HA 0.148 4.487 4.340 -0.001 0.000 0.274 502 L C 0.312 177.222 176.870 0.067 0.000 1.201 502 L CA -0.027 54.874 54.840 0.103 0.000 0.869 502 L CB 0.486 42.547 42.059 0.004 0.000 1.123 502 L HN 0.655 nan 8.230 nan 0.000 0.484 503 N N 6.054 124.709 118.700 -0.075 0.000 2.442 503 N HA 0.179 4.919 4.740 -0.001 0.000 0.265 503 N C -1.937 173.208 175.510 -0.608 0.000 1.138 503 N CA -1.555 51.269 53.050 -0.377 0.000 0.956 503 N CB 1.412 39.794 38.487 -0.176 0.000 1.067 503 N HN 0.473 nan 8.380 nan 0.000 0.474 504 P HA 0.126 nan 4.420 nan 0.000 0.245 504 P C 0.519 177.683 177.300 -0.226 0.000 1.206 504 P CA 0.354 62.842 63.100 -1.020 0.000 0.781 504 P CB 0.190 31.311 31.700 -0.966 0.000 0.994 505 c N -0.640 117.806 118.600 -0.256 0.000 2.791 505 c HA 0.302 4.872 4.570 -0.001 0.000 0.270 505 c C 1.182 175.265 174.090 -0.012 0.000 1.257 505 c CA -0.396 55.891 56.329 -0.071 0.000 1.699 505 c CB -1.337 41.087 42.510 -0.145 0.000 1.904 505 c HN 0.106 nan 8.230 nan 0.000 0.603 506 L N 1.535 122.745 121.223 -0.022 0.000 2.334 506 L HA 0.260 4.599 4.340 -0.001 0.000 0.277 506 L C 0.894 177.809 176.870 0.075 0.000 1.075 506 L CA -0.274 54.574 54.840 0.012 0.000 0.804 506 L CB 0.767 42.817 42.059 -0.015 0.000 1.174 506 L HN 0.108 nan 8.230 nan 0.000 0.438 507 D N 0.323 120.761 120.400 0.063 0.000 2.149 507 D HA -0.160 4.479 4.640 -0.001 0.000 0.198 507 D C 2.092 178.447 176.300 0.091 0.000 0.990 507 D CA 1.746 55.793 54.000 0.078 0.000 0.839 507 D CB 0.102 40.928 40.800 0.043 0.000 0.948 507 D HN 0.679 nan 8.370 nan 0.000 0.460 508 S N -0.013 115.726 115.700 0.066 0.000 2.382 508 S HA -0.125 4.344 4.470 -0.001 0.000 0.228 508 S C 2.155 176.872 174.600 0.197 0.000 1.027 508 S CA 1.230 59.480 58.200 0.083 0.000 0.991 508 S CB -0.381 62.846 63.200 0.045 0.000 0.823 508 S HN 0.047 nan 8.310 nan 0.000 0.469 509 S N 2.164 117.965 115.700 0.168 0.000 2.368 509 S HA -0.140 4.330 4.470 -0.001 0.000 0.225 509 S C 2.156 176.995 174.600 0.398 0.000 1.030 509 S CA 1.406 59.754 58.200 0.246 0.000 0.999 509 S CB -0.484 62.788 63.200 0.119 0.000 0.844 509 S HN 0.633 nan 8.310 nan 0.000 0.459 510 Q N 0.490 120.486 119.800 0.328 0.000 2.124 510 Q HA -0.032 4.308 4.340 -0.001 0.000 0.202 510 Q C 2.415 178.562 176.000 0.245 0.000 0.977 510 Q CA 0.874 56.846 55.803 0.281 0.000 0.850 510 Q CB -0.161 28.695 28.738 0.196 0.000 0.901 510 Q HN 0.458 nan 8.270 nan 0.000 0.429 511 R N -0.152 120.492 120.500 0.241 0.000 2.081 511 R HA -0.151 4.189 4.340 -0.001 0.000 0.235 511 R C 2.118 178.687 176.300 0.447 0.000 1.131 511 R CA 1.388 57.643 56.100 0.259 0.000 0.960 511 R CB -0.398 29.968 30.300 0.110 0.000 0.856 511 R HN 0.222 nan 8.270 nan 0.000 0.436 512 F N 1.291 121.480 119.950 0.399 0.000 2.069 512 F HA -0.257 4.270 4.527 -0.001 0.000 0.298 512 F C 2.097 177.988 175.800 0.153 0.000 1.113 512 F CA 1.561 59.746 58.000 0.309 0.000 1.214 512 F CB -0.320 38.818 39.000 0.230 0.000 0.978 512 F HN -0.275 nan 8.300 nan 0.000 0.474 513 V N 0.328 120.421 119.914 0.299 0.000 2.343 513 V HA -0.316 3.803 4.120 -0.001 0.000 0.247 513 V C 2.044 178.078 176.094 -0.100 0.000 1.051 513 V CA 2.236 64.609 62.300 0.122 0.000 1.036 513 V CB -0.873 31.102 31.823 0.252 0.000 0.654 513 V HN 0.370 nan 8.190 nan 0.000 0.451 514 D N 0.161 120.555 120.400 -0.011 0.000 2.144 514 D HA -0.207 4.432 4.640 -0.001 0.000 0.199 514 D C 2.107 178.353 176.300 -0.090 0.000 0.984 514 D CA 1.352 55.343 54.000 -0.014 0.000 0.834 514 D CB -0.072 40.800 40.800 0.120 0.000 0.955 514 D HN 0.346 nan 8.370 nan 0.000 0.465 515 K N -0.138 120.209 120.400 -0.088 0.000 2.062 515 K HA -0.024 4.296 4.320 -0.001 0.000 0.205 515 K C 1.876 178.308 176.600 -0.280 0.000 1.051 515 K CA 1.073 57.267 56.287 -0.156 0.000 0.941 515 K CB -0.588 31.777 32.500 -0.224 0.000 0.719 515 K HN 0.062 nan 8.250 nan 0.000 0.440 516 V N 1.120 120.801 119.914 -0.387 0.000 2.343 516 V HA -0.209 3.911 4.120 -0.001 0.000 0.247 516 V C 2.299 178.262 176.094 -0.219 0.000 1.051 516 V CA 1.925 64.064 62.300 -0.269 0.000 1.036 516 V CB -0.386 31.303 31.823 -0.223 0.000 0.654 516 V HN 0.285 nan 8.190 nan 0.000 0.451 517 I N 0.717 121.002 120.570 -0.476 0.000 2.179 517 I HA -0.181 3.988 4.170 -0.001 0.000 0.242 517 I C 2.615 178.361 176.117 -0.618 0.000 1.088 517 I CA 1.802 62.603 61.300 -0.832 0.000 1.357 517 I CB -0.951 36.302 38.000 -1.245 0.000 1.051 517 I HN 0.396 nan 8.210 nan 0.000 0.409 518 G N 0.255 108.683 108.800 -0.619 0.000 2.440 518 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.218 518 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.218 518 G C 1.576 176.427 174.900 -0.082 0.000 1.154 518 G CA 0.595 45.530 45.100 -0.274 0.000 0.767 518 G HN 0.283 nan 8.290 nan 0.000 0.552 519 E N 0.515 120.663 120.200 -0.086 0.000 2.047 519 E HA -0.023 4.326 4.350 -0.001 0.000 0.191 519 E C 2.665 179.296 176.600 0.052 0.000 0.987 519 E CA 0.481 56.873 56.400 -0.015 0.000 0.799 519 E CB -0.294 29.378 29.700 -0.046 0.000 0.752 519 E HN 0.505 nan 8.360 nan 0.000 0.449 520 I N 1.210 121.825 120.570 0.075 0.000 2.315 520 I HA -0.223 3.946 4.170 -0.001 0.000 0.248 520 I C 2.463 178.782 176.117 0.337 0.000 1.117 520 I CA 0.881 62.311 61.300 0.216 0.000 1.404 520 I CB -0.364 37.808 38.000 0.286 0.000 1.071 520 I HN -0.016 nan 8.210 nan 0.000 0.419 521 A N 0.291 123.216 122.820 0.174 0.000 1.902 521 A HA -0.293 4.027 4.320 -0.001 0.000 0.217 521 A C 2.250 179.954 177.584 0.200 0.000 1.181 521 A CA 1.911 54.043 52.037 0.158 0.000 0.623 521 A CB -0.571 18.453 19.000 0.040 0.000 0.818 521 A HN 0.383 nan 8.150 nan 0.000 0.443 522 Q N -0.544 119.349 119.800 0.154 0.000 2.119 522 Q HA -0.049 4.291 4.340 -0.001 0.000 0.201 522 Q C 1.984 178.082 176.000 0.164 0.000 0.972 522 Q CA 1.921 57.806 55.803 0.137 0.000 0.847 522 Q CB -0.423 28.374 28.738 0.098 0.000 0.903 522 Q HN 0.701 nan 8.270 nan 0.000 0.433 523 M N -1.003 118.721 119.600 0.206 0.000 2.117 523 M HA -0.205 4.275 4.480 -0.001 0.000 0.262 523 M C 1.995 178.405 176.300 0.183 0.000 1.065 523 M CA 1.481 56.908 55.300 0.213 0.000 1.114 523 M CB -0.442 32.346 32.600 0.314 0.000 1.361 523 M HN 0.353 nan 8.290 nan 0.000 0.408 524 H N 0.276 119.459 119.070 0.190 0.000 2.353 524 H HA -0.104 4.451 4.556 -0.001 0.000 0.300 524 H C 2.069 177.451 175.328 0.090 0.000 1.090 524 H CA 1.460 57.591 56.048 0.137 0.000 1.327 524 H CB -0.035 29.822 29.762 0.158 0.000 1.383 524 H HN 0.395 nan 8.280 nan 0.000 0.508 525 K N 0.795 121.321 120.400 0.211 0.000 2.057 525 K HA -0.138 4.181 4.320 -0.001 0.000 0.207 525 K C 2.092 178.746 176.600 0.089 0.000 1.049 525 K CA 1.185 57.549 56.287 0.130 0.000 0.931 525 K CB -0.018 32.549 32.500 0.112 0.000 0.714 525 K HN 0.403 nan 8.250 nan 0.000 0.440 526 E N 0.279 120.531 120.200 0.088 0.000 2.204 526 E HA -0.147 4.203 4.350 -0.001 0.000 0.195 526 E C 1.597 178.221 176.600 0.040 0.000 0.990 526 E CA 0.898 57.335 56.400 0.061 0.000 0.821 526 E CB 0.000 29.740 29.700 0.067 0.000 0.750 526 E HN 0.305 nan 8.360 nan 0.000 0.477 527 A N 0.124 122.961 122.820 0.028 0.000 2.251 527 A HA 0.267 4.587 4.320 -0.001 0.000 0.209 527 A C 1.628 179.211 177.584 -0.001 0.000 1.187 527 A CA 0.712 52.743 52.037 -0.010 0.000 0.823 527 A CB -0.209 18.743 19.000 -0.081 0.000 0.846 527 A HN 0.308 nan 8.150 nan 0.000 0.486 528 G N -1.427 107.388 108.800 0.026 0.000 2.143 528 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.248 528 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.248 528 G C 0.069 174.987 174.900 0.031 0.000 0.991 528 G CA 0.484 45.597 45.100 0.022 0.000 0.689 528 G HN 0.784 nan 8.290 nan 0.000 0.522 529 Q N -0.010 119.829 119.800 0.065 0.000 3.429 529 Q HA 0.373 4.712 4.340 -0.001 0.000 0.237 529 Q C -2.801 173.311 176.000 0.187 0.000 0.932 529 Q CA -1.733 54.130 55.803 0.099 0.000 0.731 529 Q CB 1.627 30.417 28.738 0.087 0.000 1.383 529 Q HN 0.231 nan 8.270 nan 0.000 0.446 530 P HA -0.059 nan 4.420 nan 0.000 0.264 530 P C -0.233 177.130 177.300 0.105 0.000 1.183 530 P CA 0.488 63.672 63.100 0.141 0.000 0.763 530 P CB 0.536 32.290 31.700 0.091 0.000 0.807 531 I N 3.269 123.848 120.570 0.014 0.000 2.752 531 I HA -0.133 4.037 4.170 -0.001 0.000 0.289 531 I C 1.533 177.659 176.117 0.014 0.000 1.197 531 I CA 0.898 62.141 61.300 -0.095 0.000 1.432 531 I CB 0.233 38.137 38.000 -0.160 0.000 1.359 531 I HN 0.450 nan 8.210 nan 0.000 0.571 532 K N 2.817 123.234 120.400 0.029 0.000 2.365 532 K HA 0.163 4.482 4.320 -0.001 0.000 0.195 532 K C 0.038 176.670 176.600 0.053 0.000 1.079 532 K CA 0.539 56.855 56.287 0.049 0.000 0.979 532 K CB 0.590 33.125 32.500 0.058 0.000 0.929 532 K HN 0.580 nan 8.250 nan 0.000 0.523 533 T N 0.363 114.946 114.554 0.049 0.000 2.881 533 T HA 0.177 4.526 4.350 -0.001 0.000 0.290 533 T C -1.991 172.751 174.700 0.070 0.000 1.000 533 T CA -0.661 61.470 62.100 0.052 0.000 0.978 533 T CB 1.558 70.446 68.868 0.034 0.000 0.997 533 T HN 0.166 nan 8.240 nan 0.000 0.443 534 W N 5.374 126.643 121.300 -0.051 0.000 2.349 534 W HA 0.317 4.977 4.660 -0.001 0.000 0.309 534 W C -0.894 175.620 176.519 -0.008 0.000 1.083 534 W CA -0.391 56.936 57.345 -0.030 0.000 1.224 534 W CB 0.604 30.050 29.460 -0.024 0.000 1.256 534 W HN 0.612 nan 8.180 nan 0.000 0.461 535 H N 7.350 126.002 119.070 -0.698 0.000 2.640 535 H HA 0.033 4.588 4.556 -0.001 0.000 0.297 535 H C 0.284 175.444 175.328 -0.279 0.000 1.073 535 H CA -0.054 55.736 56.048 -0.430 0.000 1.305 535 H CB 0.851 30.302 29.762 -0.518 0.000 1.404 535 H HN 0.591 nan 8.280 nan 0.000 0.459 536 F N 4.657 124.608 119.950 0.001 0.000 2.456 536 F HA 0.081 4.607 4.527 -0.001 0.000 0.298 536 F C 1.432 177.430 175.800 0.331 0.000 1.104 536 F CA 1.189 59.336 58.000 0.246 0.000 1.435 536 F CB 0.285 39.392 39.000 0.180 0.000 1.078 536 F HN 0.806 nan 8.300 nan 0.000 0.546 537 G N 0.467 109.480 108.800 0.354 0.000 2.588 537 G HA2 -0.027 3.933 3.960 -0.001 0.000 0.273 537 G HA3 -0.027 3.933 3.960 -0.001 0.000 0.273 537 G C 1.217 176.360 174.900 0.405 0.000 1.211 537 G CA 0.611 45.979 45.100 0.447 0.000 0.958 537 G HN 1.509 nan 8.290 nan 0.000 0.543 538 G N -0.285 108.615 108.800 0.168 0.000 2.176 538 G HA2 0.049 4.009 3.960 -0.001 0.000 0.232 538 G HA3 0.049 4.009 3.960 -0.001 0.000 0.232 538 G C 0.129 175.316 174.900 0.478 0.000 0.986 538 G CA 1.229 46.517 45.100 0.314 0.000 0.643 538 G HN 2.119 nan 8.290 nan 0.000 0.522 539 D N 0.757 121.431 120.400 0.457 0.000 2.302 539 D HA 0.420 5.059 4.640 -0.001 0.000 0.248 539 D C 0.295 176.792 176.300 0.328 0.000 1.094 539 D CA 0.236 54.434 54.000 0.329 0.000 0.897 539 D CB 0.735 41.395 40.800 -0.233 0.000 1.200 539 D HN 0.127 nan 8.370 nan 0.000 0.429 540 D N 0.052 120.648 120.400 0.327 0.000 2.772 540 D HA -0.164 4.476 4.640 -0.001 0.000 0.233 540 D C -0.289 176.121 176.300 0.184 0.000 1.143 540 D CA 0.962 55.099 54.000 0.229 0.000 0.700 540 D CB -1.399 39.515 40.800 0.190 0.000 1.076 540 D HN 0.651 nan 8.370 nan 0.000 0.430 541 A N 1.214 124.191 122.820 0.261 0.000 3.004 541 A HA 0.371 4.691 4.320 -0.001 0.000 0.286 541 A C 0.805 178.525 177.584 0.227 0.000 1.632 541 A CA 0.186 52.409 52.037 0.311 0.000 1.339 541 A CB 0.042 19.312 19.000 0.450 0.000 1.136 541 A HN 0.340 nan 8.150 nan 0.000 0.577 542 K N -0.116 120.390 120.400 0.177 0.000 2.579 542 K HA 0.363 4.682 4.320 -0.001 0.000 0.284 542 K C -1.355 175.254 176.600 0.015 0.000 0.990 542 K CA -1.005 55.312 56.287 0.049 0.000 0.880 542 K CB 0.744 33.276 32.500 0.053 0.000 1.488 542 K HN 0.099 nan 8.250 nan 0.000 0.425 543 N N 2.202 120.859 118.700 -0.072 0.000 2.420 543 N HA 0.148 4.888 4.740 -0.001 0.000 0.249 543 N C 0.896 176.376 175.510 -0.051 0.000 1.033 543 N CA -1.020 51.978 53.050 -0.087 0.000 0.944 543 N CB 0.625 39.020 38.487 -0.153 0.000 1.113 543 N HN 0.780 nan 8.380 nan 0.000 0.502 544 I N 1.147 121.691 120.570 -0.043 0.000 2.567 544 I HA -0.083 4.086 4.170 -0.001 0.000 0.257 544 I C 1.172 177.288 176.117 -0.002 0.000 1.184 544 I CA 0.723 62.019 61.300 -0.007 0.000 1.451 544 I CB 0.020 38.009 38.000 -0.018 0.000 1.089 544 I HN 0.197 nan 8.210 nan 0.000 0.441 545 R N 1.580 121.997 120.500 -0.138 0.000 2.280 545 R HA 0.130 4.469 4.340 -0.001 0.000 0.207 545 R C 1.877 178.111 176.300 -0.111 0.000 1.043 545 R CA 0.760 56.681 56.100 -0.299 0.000 1.006 545 R CB -0.706 29.411 30.300 -0.304 0.000 0.885 545 R HN 0.502 nan 8.270 nan 0.000 0.467 546 L N 0.269 121.462 121.223 -0.050 0.000 2.592 546 L HA 0.159 4.499 4.340 -0.001 0.000 0.227 546 L C 1.226 178.100 176.870 0.007 0.000 1.127 546 L CA -0.237 54.587 54.840 -0.027 0.000 0.884 546 L CB -0.257 41.776 42.059 -0.043 0.000 1.065 546 L HN 0.077 nan 8.230 nan 0.000 0.457 547 G N -0.685 108.150 108.800 0.059 0.000 2.664 547 G HA2 0.228 4.187 3.960 -0.001 0.000 0.242 547 G HA3 0.228 4.187 3.960 -0.001 0.000 0.242 547 G C 1.028 175.891 174.900 -0.061 0.000 1.225 547 G CA 0.240 45.362 45.100 0.036 0.000 0.849 547 G HN 0.235 nan 8.290 nan 0.000 0.581 548 A N 0.102 122.857 122.820 -0.109 0.000 2.066 548 A HA 0.173 4.493 4.320 -0.001 0.000 0.218 548 A C 2.341 179.467 177.584 -0.762 0.000 1.157 548 A CA 1.760 53.663 52.037 -0.223 0.000 0.670 548 A CB -0.276 18.738 19.000 0.024 0.000 0.804 548 A HN 1.029 nan 8.150 nan 0.000 0.453 549 G N -2.200 105.897 108.800 -1.172 0.000 2.920 549 G HA2 0.305 4.264 3.960 -0.001 0.000 0.208 549 G HA3 0.305 4.264 3.960 -0.001 0.000 0.208 549 G C 0.124 174.277 174.900 -1.245 0.000 1.159 549 G CA 0.058 43.829 45.100 -2.215 0.000 0.784 549 G HN 0.386 nan 8.290 nan 0.000 0.535 550 Y N -0.909 119.074 120.300 -0.528 0.000 2.487 550 Y HA 0.682 5.231 4.550 -0.001 0.000 0.337 550 Y C 0.512 176.261 175.900 -0.252 0.000 1.076 550 Y CA -0.763 57.150 58.100 -0.312 0.000 1.115 550 Y CB 2.251 40.586 38.460 -0.207 0.000 1.235 550 Y HN -0.091 nan 8.280 nan 0.000 0.468 551 T N 0.217 114.772 114.554 0.002 0.000 2.838 551 T HA 0.313 4.662 4.350 -0.001 0.000 0.292 551 T C -1.813 172.876 174.700 -0.018 0.000 1.113 551 T CA -0.686 61.392 62.100 -0.036 0.000 1.008 551 T CB 1.408 70.242 68.868 -0.056 0.000 1.259 551 T HN 0.637 nan 8.240 nan 0.000 0.520 552 D N 0.193 120.577 120.400 -0.026 0.000 2.168 552 D HA 0.339 4.978 4.640 -0.001 0.000 0.246 552 D C 1.298 177.584 176.300 -0.024 0.000 1.050 552 D CA -0.512 53.471 54.000 -0.027 0.000 0.857 552 D CB 1.328 42.111 40.800 -0.028 0.000 1.169 552 D HN 0.560 nan 8.370 nan 0.000 0.453 553 K N 2.956 123.340 120.400 -0.026 0.000 2.113 553 K HA -0.248 4.072 4.320 -0.001 0.000 0.208 553 K C 1.536 178.125 176.600 -0.019 0.000 1.047 553 K CA 1.772 58.045 56.287 -0.022 0.000 0.928 553 K CB -0.185 32.299 32.500 -0.026 0.000 0.716 553 K HN 0.319 nan 8.250 nan 0.000 0.446 554 A N 0.834 123.643 122.820 -0.019 0.000 1.858 554 A HA -0.074 4.245 4.320 -0.001 0.000 0.216 554 A C 0.937 178.513 177.584 -0.013 0.000 1.190 554 A CA 1.539 53.567 52.037 -0.016 0.000 0.617 554 A CB -0.183 18.808 19.000 -0.016 0.000 0.827 554 A HN 0.321 nan 8.150 nan 0.000 0.443 555 K N 0.239 120.631 120.400 -0.013 0.000 2.621 555 K HA 0.339 4.659 4.320 -0.001 0.000 0.233 555 K C -3.069 173.524 176.600 -0.012 0.000 0.972 555 K CA -2.001 54.280 56.287 -0.010 0.000 0.988 555 K CB 2.074 34.569 32.500 -0.008 0.000 1.187 555 K HN 0.191 nan 8.250 nan 0.000 0.471 556 P HA 0.106 nan 4.420 nan 0.000 0.292 556 P C -0.992 176.302 177.300 -0.010 0.000 1.287 556 P CA -0.446 62.646 63.100 -0.014 0.000 0.800 556 P CB 1.176 32.868 31.700 -0.013 0.000 0.945 557 E N 4.388 124.579 120.200 -0.015 0.000 2.280 557 E HA 0.490 4.840 4.350 -0.001 0.000 0.264 557 E C -2.352 174.247 176.600 -0.003 0.000 1.064 557 E CA -2.475 53.922 56.400 -0.005 0.000 0.900 557 E CB -0.189 29.509 29.700 -0.003 0.000 1.123 557 E HN 0.217 nan 8.360 nan 0.000 0.418 558 P HA 0.043 nan 4.420 nan 0.000 0.270 558 P C 0.348 177.675 177.300 0.045 0.000 1.227 558 P CA 0.989 64.107 63.100 0.030 0.000 0.788 558 P CB 0.254 31.978 31.700 0.040 0.000 0.926 559 G N 0.483 109.317 108.800 0.057 0.000 2.380 559 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.298 559 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.298 559 G C -0.034 174.922 174.900 0.093 0.000 0.989 559 G CA 0.678 45.837 45.100 0.098 0.000 0.836 559 G HN 0.549 nan 8.290 nan 0.000 0.511 560 K N -0.912 119.477 120.400 -0.019 0.000 2.443 560 K HA 0.591 4.910 4.320 -0.001 0.000 0.251 560 K C 0.529 177.049 176.600 -0.133 0.000 0.972 560 K CA -0.502 55.684 56.287 -0.168 0.000 0.833 560 K CB 1.787 34.129 32.500 -0.264 0.000 1.317 560 K HN 0.220 nan 8.250 nan 0.000 0.441 561 G N 1.760 110.438 108.800 -0.204 0.000 2.354 561 G HA2 0.262 4.222 3.960 -0.001 0.000 0.266 561 G HA3 0.262 4.222 3.960 -0.001 0.000 0.266 561 G C -0.107 174.829 174.900 0.061 0.000 1.242 561 G CA -0.368 44.710 45.100 -0.036 0.000 0.923 561 G HN 0.429 nan 8.290 nan 0.000 0.476 562 I N 3.813 124.397 120.570 0.023 0.000 2.337 562 I HA 0.310 4.480 4.170 -0.001 0.000 0.291 562 I C 0.588 176.706 176.117 0.002 0.000 1.046 562 I CA -0.146 61.158 61.300 0.007 0.000 1.324 562 I CB 0.433 38.428 38.000 -0.009 0.000 1.409 562 I HN 0.432 nan 8.210 nan 0.000 0.494 563 I N 1.753 122.315 120.570 -0.013 0.000 3.322 563 I HA 0.599 4.768 4.170 -0.001 0.000 0.313 563 I C -0.927 175.155 176.117 -0.058 0.000 1.129 563 I CA -1.003 60.263 61.300 -0.056 0.000 0.963 563 I CB 2.061 39.984 38.000 -0.128 0.000 1.273 563 I HN 0.229 nan 8.210 nan 0.000 0.473 564 D N 1.562 121.921 120.400 -0.069 0.000 2.359 564 D HA 0.236 4.875 4.640 -0.001 0.000 0.230 564 D C 0.009 176.267 176.300 -0.071 0.000 1.118 564 D CA -0.037 53.927 54.000 -0.059 0.000 0.844 564 D CB 1.414 42.182 40.800 -0.053 0.000 1.059 564 D HN 0.599 nan 8.370 nan 0.000 0.493 565 Q N 1.706 121.468 119.800 -0.063 0.000 2.360 565 Q HA -0.001 4.338 4.340 -0.001 0.000 0.202 565 Q C 1.839 177.806 176.000 -0.055 0.000 0.915 565 Q CA 0.036 55.800 55.803 -0.066 0.000 0.943 565 Q CB 0.353 29.057 28.738 -0.057 0.000 1.064 565 Q HN 0.575 nan 8.270 nan 0.000 0.511 566 S N 2.282 117.954 115.700 -0.047 0.000 2.359 566 S HA -0.254 4.216 4.470 -0.001 0.000 0.223 566 S C 1.387 175.959 174.600 -0.046 0.000 1.039 566 S CA 1.703 59.879 58.200 -0.041 0.000 1.042 566 S CB -0.783 62.397 63.200 -0.035 0.000 0.915 566 S HN 0.677 nan 8.310 nan 0.000 0.439 567 N N 0.620 119.289 118.700 -0.051 0.000 2.327 567 N HA 0.191 4.931 4.740 -0.001 0.000 0.231 567 N C -0.602 174.867 175.510 -0.068 0.000 1.130 567 N CA -0.349 52.668 53.050 -0.055 0.000 0.845 567 N CB 0.221 38.678 38.487 -0.050 0.000 1.073 567 N HN 0.135 nan 8.380 nan 0.000 0.496 568 E N 1.642 121.797 120.200 -0.075 0.000 2.227 568 E HA 0.231 4.581 4.350 -0.001 0.000 0.282 568 E C -0.745 175.799 176.600 -0.093 0.000 1.015 568 E CA -0.169 56.176 56.400 -0.092 0.000 0.823 568 E CB 1.267 30.908 29.700 -0.098 0.000 1.081 568 E HN 0.371 nan 8.360 nan 0.000 0.396 569 D N 2.032 122.362 120.400 -0.116 0.000 2.547 569 D HA 0.281 4.921 4.640 -0.001 0.000 0.231 569 D C -0.070 176.137 176.300 -0.155 0.000 1.099 569 D CA -0.769 53.161 54.000 -0.115 0.000 0.901 569 D CB 1.616 42.349 40.800 -0.111 0.000 1.478 569 D HN 0.087 nan 8.370 nan 0.000 0.471 570 K N 0.360 120.684 120.400 -0.128 0.000 2.234 570 K HA 0.223 4.543 4.320 -0.001 0.000 0.251 570 K C -2.382 174.027 176.600 -0.319 0.000 1.011 570 K CA -0.904 55.280 56.287 -0.173 0.000 0.889 570 K CB -0.280 32.171 32.500 -0.081 0.000 1.011 570 K HN 0.075 nan 8.250 nan 0.000 0.505 571 P HA -0.150 nan 4.420 nan 0.000 0.265 571 P C -0.525 176.349 177.300 -0.709 0.000 1.193 571 P CA 0.363 62.769 63.100 -1.156 0.000 0.765 571 P CB 0.197 30.726 31.700 -1.952 0.000 0.823 572 W N 0.569 121.748 121.300 -0.200 0.000 2.323 572 W HA -0.290 4.369 4.660 -0.001 0.000 0.261 572 W C 1.338 177.806 176.519 -0.086 0.000 1.029 572 W CA 0.538 57.814 57.345 -0.116 0.000 0.499 572 W CB -2.653 26.759 29.460 -0.079 0.000 2.045 572 W HN 0.469 nan 8.180 nan 0.000 1.374 573 A N 0.434 123.271 122.820 0.028 0.000 1.958 573 A HA -0.221 4.099 4.320 -0.001 0.000 0.221 573 A C 1.934 179.530 177.584 0.020 0.000 1.178 573 A CA 2.149 54.200 52.037 0.022 0.000 0.642 573 A CB -0.341 18.640 19.000 -0.032 0.000 0.816 573 A HN 0.118 nan 8.150 nan 0.000 0.453 574 K N 0.257 120.659 120.400 0.004 0.000 2.410 574 K HA 0.148 4.468 4.320 -0.001 0.000 0.200 574 K C 0.324 176.934 176.600 0.015 0.000 1.023 574 K CA 0.211 56.497 56.287 -0.002 0.000 1.149 574 K CB -0.196 32.289 32.500 -0.025 0.000 0.859 574 K HN 0.314 nan 8.250 nan 0.000 0.514 575 S N 1.347 117.077 115.700 0.049 0.000 2.439 575 S HA 0.107 4.576 4.470 -0.001 0.000 0.282 575 S C 1.016 175.626 174.600 0.018 0.000 1.170 575 S CA -0.371 57.857 58.200 0.047 0.000 1.054 575 S CB 0.827 64.088 63.200 0.102 0.000 0.956 575 S HN 0.204 nan 8.310 nan 0.000 0.490 576 Q N 3.386 123.186 119.800 -0.000 0.000 2.124 576 Q HA -0.088 4.251 4.340 -0.001 0.000 0.202 576 Q C 2.001 177.992 176.000 -0.015 0.000 0.977 576 Q CA 1.409 57.207 55.803 -0.009 0.000 0.850 576 Q CB -0.284 28.447 28.738 -0.013 0.000 0.901 576 Q HN 0.745 nan 8.270 nan 0.000 0.429 577 V N 0.473 120.376 119.914 -0.019 0.000 2.287 577 V HA -0.316 3.804 4.120 -0.001 0.000 0.248 577 V C 2.299 178.369 176.094 -0.040 0.000 1.053 577 V CA 1.588 63.870 62.300 -0.029 0.000 1.027 577 V CB -0.626 31.177 31.823 -0.035 0.000 0.646 577 V HN 0.502 nan 8.190 nan 0.000 0.447 578 c N -0.466 118.114 118.600 -0.035 0.000 2.432 578 c HA -0.125 4.444 4.570 -0.001 0.000 0.282 578 c C 2.807 176.878 174.090 -0.031 0.000 1.388 578 c CA 0.685 56.986 56.329 -0.046 0.000 1.777 578 c CB -1.125 41.384 42.510 -0.003 0.000 1.882 578 c HN 0.623 nan 8.230 nan 0.000 0.520 579 Q N 0.434 120.225 119.800 -0.016 0.000 2.049 579 Q HA -0.155 4.184 4.340 -0.001 0.000 0.198 579 Q C 2.388 178.371 176.000 -0.029 0.000 0.971 579 Q CA 2.101 57.894 55.803 -0.017 0.000 0.833 579 Q CB -0.487 28.246 28.738 -0.009 0.000 0.896 579 Q HN 0.823 nan 8.270 nan 0.000 0.434 580 T N -1.106 113.430 114.554 -0.030 0.000 2.962 580 T HA -0.131 4.219 4.350 -0.001 0.000 0.270 580 T C 1.758 176.430 174.700 -0.045 0.000 1.088 580 T CA 0.901 62.982 62.100 -0.032 0.000 1.127 580 T CB -0.094 68.759 68.868 -0.025 0.000 0.883 580 T HN 0.164 nan 8.240 nan 0.000 0.493 581 M N 0.303 119.865 119.600 -0.064 0.000 2.117 581 M HA 0.097 4.577 4.480 -0.001 0.000 0.262 581 M C 2.072 178.305 176.300 -0.111 0.000 1.065 581 M CA 1.687 56.927 55.300 -0.100 0.000 1.114 581 M CB -0.221 32.286 32.600 -0.154 0.000 1.361 581 M HN 0.289 nan 8.290 nan 0.000 0.408 582 I N -0.455 120.060 120.570 -0.092 0.000 2.353 582 I HA -0.264 3.905 4.170 -0.001 0.000 0.248 582 I C 2.356 178.439 176.117 -0.057 0.000 1.119 582 I CA 0.713 61.966 61.300 -0.078 0.000 1.417 582 I CB -0.510 37.461 38.000 -0.049 0.000 1.078 582 I HN 0.209 nan 8.210 nan 0.000 0.421 583 K N 1.440 121.814 120.400 -0.044 0.000 1.973 583 K HA -0.206 4.113 4.320 -0.001 0.000 0.212 583 K C 1.810 178.388 176.600 -0.035 0.000 1.047 583 K CA 1.872 58.139 56.287 -0.034 0.000 0.937 583 K CB -0.710 31.773 32.500 -0.027 0.000 0.721 583 K HN 0.519 nan 8.250 nan 0.000 0.440 584 E N -0.106 120.072 120.200 -0.036 0.000 2.455 584 E HA -0.135 4.214 4.350 -0.001 0.000 0.202 584 E C 0.799 177.378 176.600 -0.034 0.000 1.045 584 E CA 0.972 57.354 56.400 -0.031 0.000 0.872 584 E CB -0.284 29.399 29.700 -0.027 0.000 0.792 584 E HN 0.410 nan 8.360 nan 0.000 0.542 585 G N 1.917 110.690 108.800 -0.045 0.000 2.141 585 G HA2 -0.380 3.580 3.960 -0.001 0.000 0.242 585 G HA3 -0.380 3.580 3.960 -0.001 0.000 0.242 585 G C 0.768 175.632 174.900 -0.059 0.000 0.982 585 G CA 0.466 45.536 45.100 -0.050 0.000 0.662 585 G HN 0.381 nan 8.290 nan 0.000 0.527 586 K N -0.616 119.739 120.400 -0.074 0.000 2.147 586 K HA 0.210 4.529 4.320 -0.001 0.000 0.205 586 K C 0.763 177.288 176.600 -0.125 0.000 1.049 586 K CA 1.723 57.962 56.287 -0.080 0.000 0.936 586 K CB -0.009 32.425 32.500 -0.109 0.000 0.722 586 K HN 0.366 nan 8.250 nan 0.000 0.446 587 V N -0.774 119.037 119.914 -0.173 0.000 2.925 587 V HA 0.308 4.427 4.120 -0.001 0.000 0.311 587 V C 0.372 176.393 176.094 -0.122 0.000 1.104 587 V CA -0.428 61.771 62.300 -0.168 0.000 0.954 587 V CB 1.725 33.375 31.823 -0.290 0.000 1.022 587 V HN 0.143 nan 8.190 nan 0.000 0.427 588 A N 2.390 125.120 122.820 -0.151 0.000 1.930 588 A HA 0.222 4.541 4.320 -0.001 0.000 0.215 588 A C 0.536 178.061 177.584 -0.097 0.000 1.176 588 A CA 1.976 53.902 52.037 -0.184 0.000 0.632 588 A CB -0.274 18.477 19.000 -0.415 0.000 0.819 588 A HN 1.096 nan 8.150 nan 0.000 0.445 589 D N -5.193 115.194 120.400 -0.022 0.000 2.769 589 D HA 0.204 4.844 4.640 -0.001 0.000 0.309 589 D C 0.332 176.716 176.300 0.141 0.000 1.315 589 D CA -0.661 53.377 54.000 0.064 0.000 0.780 589 D CB -0.275 40.578 40.800 0.088 0.000 1.312 589 D HN -0.180 nan 8.370 nan 0.000 0.437 590 M N -0.381 119.297 119.600 0.130 0.000 2.149 590 M HA -0.082 4.398 4.480 -0.001 0.000 0.261 590 M C 1.609 178.049 176.300 0.233 0.000 1.064 590 M CA 1.703 57.105 55.300 0.170 0.000 1.102 590 M CB -1.118 31.559 32.600 0.128 0.000 1.369 590 M HN 0.715 nan 8.290 nan 0.000 0.408 591 E N -0.120 120.206 120.200 0.209 0.000 2.160 591 E HA -0.199 4.151 4.350 -0.001 0.000 0.195 591 E C 1.407 178.112 176.600 0.175 0.000 0.991 591 E CA 1.611 58.122 56.400 0.185 0.000 0.810 591 E CB -0.211 29.595 29.700 0.176 0.000 0.742 591 E HN 0.568 nan 8.360 nan 0.000 0.466 592 H N -1.019 118.151 119.070 0.166 0.000 2.539 592 H HA 0.238 4.793 4.556 -0.001 0.000 0.269 592 H C 1.480 176.956 175.328 0.247 0.000 0.980 592 H CA 0.201 56.362 56.048 0.188 0.000 1.152 592 H CB 0.162 30.004 29.762 0.134 0.000 1.407 592 H HN 0.127 nan 8.280 nan 0.000 0.564 593 L N 0.672 122.104 121.223 0.347 0.000 2.042 593 L HA -0.123 4.216 4.340 -0.001 0.000 0.210 593 L C -0.527 176.592 176.870 0.415 0.000 1.076 593 L CA 1.175 56.204 54.840 0.315 0.000 0.749 593 L CB -1.033 41.152 42.059 0.209 0.000 0.893 593 L HN 0.303 nan 8.230 nan 0.000 0.432 594 P HA -0.123 nan 4.420 nan 0.000 0.213 594 P C 1.760 179.372 177.300 0.519 0.000 1.170 594 P CA 1.442 64.867 63.100 0.540 0.000 0.898 594 P CB 0.044 32.065 31.700 0.536 0.000 0.787 595 S N -1.509 114.435 115.700 0.406 0.000 2.383 595 S HA -0.217 4.252 4.470 -0.001 0.000 0.229 595 S C 1.872 176.626 174.600 0.256 0.000 1.030 595 S CA 1.246 59.645 58.200 0.332 0.000 1.002 595 S CB -1.335 62.037 63.200 0.287 0.000 0.829 595 S HN 0.217 nan 8.310 nan 0.000 0.467 596 Y N 1.320 121.745 120.300 0.208 0.000 2.097 596 Y HA -0.227 4.322 4.550 -0.001 0.000 0.282 596 Y C 1.992 177.998 175.900 0.178 0.000 1.152 596 Y CA 1.572 59.762 58.100 0.149 0.000 1.136 596 Y CB -0.720 37.836 38.460 0.160 0.000 0.975 596 Y HN 0.226 nan 8.280 nan 0.000 0.498 597 F N 0.960 120.958 119.950 0.079 0.000 2.171 597 F HA -0.015 4.511 4.527 -0.001 0.000 0.300 597 F C 2.481 178.259 175.800 -0.037 0.000 1.090 597 F CA 1.688 59.686 58.000 -0.004 0.000 1.293 597 F CB -0.941 38.206 39.000 0.245 0.000 1.013 597 F HN 0.158 nan 8.300 nan 0.000 0.486 598 G N -0.700 108.002 108.800 -0.164 0.000 2.440 598 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.218 598 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.218 598 G C 1.483 176.217 174.900 -0.277 0.000 1.154 598 G CA 0.842 45.452 45.100 -0.815 0.000 0.767 598 G HN 0.438 nan 8.290 nan 0.000 0.552 599 Q N -0.112 119.580 119.800 -0.181 0.000 2.079 599 Q HA -0.064 4.275 4.340 -0.001 0.000 0.200 599 Q C 2.486 178.309 176.000 -0.295 0.000 0.974 599 Q CA 1.085 56.721 55.803 -0.279 0.000 0.840 599 Q CB -0.109 28.388 28.738 -0.401 0.000 0.898 599 Q HN 0.383 nan 8.270 nan 0.000 0.430 600 E N 0.393 120.315 120.200 -0.464 0.000 2.106 600 E HA -0.125 4.225 4.350 -0.001 0.000 0.192 600 E C 2.217 178.590 176.600 -0.378 0.000 0.984 600 E CA 0.897 57.017 56.400 -0.466 0.000 0.806 600 E CB -0.097 29.214 29.700 -0.648 0.000 0.750 600 E HN 0.179 nan 8.360 nan 0.000 0.458 601 V N 2.046 121.682 119.914 -0.464 0.000 2.427 601 V HA -0.247 3.872 4.120 -0.001 0.000 0.248 601 V C 2.650 178.642 176.094 -0.170 0.000 1.051 601 V CA 1.876 63.992 62.300 -0.306 0.000 1.048 601 V CB -0.831 30.894 31.823 -0.163 0.000 0.666 601 V HN 0.322 nan 8.190 nan 0.000 0.456 602 S N 0.222 115.854 115.700 -0.114 0.000 2.402 602 S HA -0.293 4.177 4.470 -0.001 0.000 0.233 602 S C 1.919 176.494 174.600 -0.043 0.000 1.030 602 S CA 1.670 59.862 58.200 -0.015 0.000 1.003 602 S CB -0.472 62.814 63.200 0.144 0.000 0.813 602 S HN 0.642 nan 8.310 nan 0.000 0.477 603 K N 0.984 121.334 120.400 -0.083 0.000 2.057 603 K HA 0.112 4.432 4.320 -0.001 0.000 0.206 603 K C 2.172 178.733 176.600 -0.065 0.000 1.050 603 K CA 1.362 57.605 56.287 -0.072 0.000 0.935 603 K CB -0.468 31.979 32.500 -0.088 0.000 0.715 603 K HN 0.404 nan 8.250 nan 0.000 0.439 604 L N 0.609 121.781 121.223 -0.084 0.000 2.056 604 L HA -0.167 4.172 4.340 -0.001 0.000 0.207 604 L C 2.386 179.259 176.870 0.004 0.000 1.078 604 L CA 0.763 55.579 54.840 -0.040 0.000 0.749 604 L CB -0.550 41.462 42.059 -0.079 0.000 0.901 604 L HN -0.044 nan 8.230 nan 0.000 0.433 605 V N 0.269 120.123 119.914 -0.102 0.000 2.295 605 V HA -0.300 3.819 4.120 -0.001 0.000 0.246 605 V C 2.620 178.711 176.094 -0.005 0.000 1.049 605 V CA 2.079 64.314 62.300 -0.108 0.000 1.024 605 V CB -0.460 31.318 31.823 -0.076 0.000 0.648 605 V HN 0.382 nan 8.190 nan 0.000 0.447 606 K N 1.088 121.481 120.400 -0.012 0.000 2.057 606 K HA -0.047 4.273 4.320 -0.001 0.000 0.206 606 K C 2.015 178.601 176.600 -0.023 0.000 1.050 606 K CA 1.700 57.982 56.287 -0.007 0.000 0.935 606 K CB -0.745 31.748 32.500 -0.012 0.000 0.715 606 K HN 0.369 nan 8.250 nan 0.000 0.439 607 A N 0.094 122.884 122.820 -0.050 0.000 2.024 607 A HA -0.155 4.164 4.320 -0.001 0.000 0.220 607 A C 1.389 178.843 177.584 -0.217 0.000 1.164 607 A CA 1.458 53.421 52.037 -0.124 0.000 0.643 607 A CB -0.741 18.166 19.000 -0.156 0.000 0.806 607 A HN 0.488 nan 8.150 nan 0.000 0.451 608 H N -1.200 117.822 119.070 -0.080 0.000 2.524 608 H HA 0.240 4.796 4.556 -0.001 0.000 0.280 608 H C 1.554 176.857 175.328 -0.042 0.000 1.018 608 H CA 0.532 56.537 56.048 -0.072 0.000 1.165 608 H CB -0.083 29.608 29.762 -0.117 0.000 1.411 608 H HN 0.634 nan 8.280 nan 0.000 0.569 609 G N 1.473 110.291 108.800 0.030 0.000 2.143 609 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.248 609 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.248 609 G C 0.143 175.067 174.900 0.040 0.000 0.991 609 G CA 0.062 45.179 45.100 0.028 0.000 0.689 609 G HN 0.335 nan 8.290 nan 0.000 0.522 610 I N 0.272 120.870 120.570 0.047 0.000 2.359 610 I HA 0.384 4.553 4.170 -0.001 0.000 0.294 610 I C 0.395 176.535 176.117 0.038 0.000 0.987 610 I CA -0.570 60.761 61.300 0.051 0.000 1.225 610 I CB 1.683 39.727 38.000 0.073 0.000 1.366 610 I HN -0.019 nan 8.210 nan 0.000 0.466 611 D N 5.106 125.525 120.400 0.031 0.000 2.501 611 D HA 0.169 4.809 4.640 -0.001 0.000 0.226 611 D C 0.007 176.311 176.300 0.006 0.000 1.198 611 D CA 0.074 54.084 54.000 0.016 0.000 0.830 611 D CB 0.359 41.166 40.800 0.011 0.000 1.014 611 D HN 0.364 nan 8.370 nan 0.000 0.496 612 R N 0.248 120.758 120.500 0.016 0.000 2.548 612 R HA 0.451 4.790 4.340 -0.001 0.000 0.280 612 R C -1.594 174.710 176.300 0.006 0.000 1.061 612 R CA -0.664 55.428 56.100 -0.013 0.000 0.915 612 R CB 1.455 31.738 30.300 -0.028 0.000 1.210 612 R HN 0.073 nan 8.270 nan 0.000 0.442 613 M N 2.969 122.540 119.600 -0.049 0.000 2.535 613 M HA 0.392 4.871 4.480 -0.001 0.000 0.314 613 M C -1.443 174.744 176.300 -0.188 0.000 1.153 613 M CA -0.519 54.750 55.300 -0.051 0.000 0.924 613 M CB 2.273 34.844 32.600 -0.048 0.000 1.710 613 M HN 0.726 nan 8.290 nan 0.000 0.451 614 Q N 2.325 121.952 119.800 -0.288 0.000 2.423 614 Q HA 0.899 5.238 4.340 -0.001 0.000 0.278 614 Q C -2.116 173.358 176.000 -0.878 0.000 1.097 614 Q CA -0.726 54.754 55.803 -0.538 0.000 0.809 614 Q CB 2.693 31.112 28.738 -0.532 0.000 1.391 614 Q HN 0.874 nan 8.270 nan 0.000 0.428 615 A N 1.450 123.815 122.820 -0.759 0.000 2.610 615 A HA 0.547 4.867 4.320 -0.001 0.000 0.291 615 A C -2.192 175.207 177.584 -0.308 0.000 1.086 615 A CA -0.793 50.946 52.037 -0.497 0.000 0.677 615 A CB 0.577 19.607 19.000 0.051 0.000 1.278 615 A HN 0.768 nan 8.150 nan 0.000 0.414 616 W N 2.055 123.476 121.300 0.202 0.000 2.308 616 W HA 0.250 4.909 4.660 -0.000 0.000 0.324 616 W C 1.926 178.533 176.519 0.147 0.000 1.387 616 W CA 0.368 57.825 57.345 0.186 0.000 1.250 616 W CB 0.760 30.276 29.460 0.094 0.000 1.257 616 W HN 0.886 nan 8.180 nan 0.000 0.554 617 Q N 2.541 122.429 119.800 0.146 0.000 2.197 617 Q HA -0.299 4.041 4.340 -0.001 0.000 0.207 617 Q C 1.286 177.257 176.000 -0.048 0.000 0.984 617 Q CA 2.258 57.796 55.803 -0.441 0.000 0.869 617 Q CB -0.508 27.495 28.738 -1.225 0.000 0.906 617 Q HN 0.725 nan 8.270 nan 0.000 0.426 618 D N 0.175 120.732 120.400 0.262 0.000 2.219 618 D HA -0.099 4.541 4.640 -0.001 0.000 0.205 618 D C 1.888 178.415 176.300 0.377 0.000 0.970 618 D CA 1.277 55.465 54.000 0.314 0.000 0.851 618 D CB -0.852 40.120 40.800 0.287 0.000 0.943 618 D HN 0.404 nan 8.370 nan 0.000 0.488 619 G N 0.448 109.517 108.800 0.447 0.000 2.509 619 G HA2 -0.056 3.904 3.960 -0.001 0.000 0.218 619 G HA3 -0.056 3.904 3.960 -0.001 0.000 0.218 619 G C 1.603 176.778 174.900 0.458 0.000 1.124 619 G CA 0.110 45.521 45.100 0.519 0.000 0.776 619 G HN 0.334 nan 8.290 nan 0.000 0.547 620 L N 0.552 122.013 121.223 0.397 0.000 2.728 620 L HA 0.169 4.508 4.340 -0.001 0.000 0.238 620 L C 2.383 179.537 176.870 0.473 0.000 1.143 620 L CA -0.008 55.087 54.840 0.426 0.000 0.937 620 L CB 0.203 42.434 42.059 0.285 0.000 1.225 620 L HN 0.175 nan 8.230 nan 0.000 0.507 621 K N -0.200 120.483 120.400 0.471 0.000 2.362 621 K HA -0.168 4.152 4.320 -0.001 0.000 0.200 621 K C 0.317 177.031 176.600 0.190 0.000 1.046 621 K CA 1.409 57.938 56.287 0.402 0.000 0.952 621 K CB 0.097 32.833 32.500 0.394 0.000 0.753 621 K HN 0.161 nan 8.250 nan 0.000 0.466 622 D N 0.972 121.482 120.400 0.184 0.000 2.349 622 D HA 0.194 4.833 4.640 -0.001 0.000 0.214 622 D C 0.174 176.583 176.300 0.181 0.000 1.063 622 D CA 0.156 54.210 54.000 0.090 0.000 0.847 622 D CB 0.557 41.283 40.800 -0.124 0.000 0.933 622 D HN 0.368 nan 8.370 nan 0.000 0.513 623 A N 0.726 123.695 122.820 0.248 0.000 2.366 623 A HA 0.088 4.407 4.320 -0.001 0.000 0.249 623 A C 1.562 179.261 177.584 0.192 0.000 1.084 623 A CA -0.243 51.925 52.037 0.218 0.000 0.794 623 A CB 0.647 19.882 19.000 0.391 0.000 1.034 623 A HN 0.021 nan 8.150 nan 0.000 0.491 624 E N 0.388 120.659 120.200 0.119 0.000 2.051 624 E HA -0.088 4.262 4.350 -0.001 0.000 0.192 624 E C 0.719 177.381 176.600 0.103 0.000 0.991 624 E CA 1.745 58.196 56.400 0.086 0.000 0.799 624 E CB 0.019 29.741 29.700 0.037 0.000 0.748 624 E HN 0.873 nan 8.360 nan 0.000 0.449 625 S N -1.891 113.892 115.700 0.138 0.000 2.714 625 S HA 0.124 4.594 4.470 -0.001 0.000 0.280 625 S C 0.861 175.488 174.600 0.045 0.000 1.200 625 S CA 0.060 58.311 58.200 0.086 0.000 0.900 625 S CB 0.484 63.666 63.200 -0.030 0.000 1.235 625 S HN 0.098 nan 8.310 nan 0.000 0.512 626 S N 0.725 116.178 115.700 -0.411 0.000 2.447 626 S HA -0.010 4.460 4.470 -0.001 0.000 0.233 626 S C 1.428 176.066 174.600 0.064 0.000 1.006 626 S CA 0.819 58.855 58.200 -0.274 0.000 0.957 626 S CB -0.744 62.151 63.200 -0.509 0.000 0.773 626 S HN 0.656 nan 8.310 nan 0.000 0.507 627 K N 1.580 121.968 120.400 -0.020 0.000 2.211 627 K HA 0.035 4.355 4.320 -0.001 0.000 0.204 627 K C 2.235 178.819 176.600 -0.027 0.000 1.047 627 K CA 1.096 57.373 56.287 -0.017 0.000 0.935 627 K CB -0.461 32.018 32.500 -0.036 0.000 0.728 627 K HN 0.544 nan 8.250 nan 0.000 0.452 628 A N 0.809 123.587 122.820 -0.071 0.000 2.168 628 A HA 0.003 4.323 4.320 -0.001 0.000 0.215 628 A C 0.526 177.809 177.584 -0.502 0.000 1.152 628 A CA 0.628 52.488 52.037 -0.296 0.000 0.716 628 A CB -0.188 18.535 19.000 -0.462 0.000 0.794 628 A HN 0.061 nan 8.150 nan 0.000 0.465 629 F N -2.195 117.738 119.950 -0.028 0.000 2.403 629 F HA 0.543 5.069 4.527 -0.001 0.000 0.326 629 F C 1.424 177.192 175.800 -0.053 0.000 1.081 629 F CA -0.156 57.817 58.000 -0.044 0.000 1.041 629 F CB 1.318 40.300 39.000 -0.031 0.000 1.234 629 F HN 0.005 nan 8.300 nan 0.000 0.503 630 A N -0.059 122.818 122.820 0.094 0.000 2.016 630 A HA 0.041 4.360 4.320 -0.001 0.000 0.217 630 A C 1.026 178.633 177.584 0.038 0.000 1.162 630 A CA 0.906 52.961 52.037 0.030 0.000 0.662 630 A CB -1.108 17.888 19.000 -0.007 0.000 0.812 630 A HN 0.718 nan 8.150 nan 0.000 0.450 631 T N -1.374 113.218 114.554 0.064 0.000 2.910 631 T HA 0.341 4.691 4.350 -0.001 0.000 0.293 631 T C 0.986 175.697 174.700 0.018 0.000 1.015 631 T CA 0.193 62.310 62.100 0.029 0.000 1.094 631 T CB 1.391 70.270 68.868 0.018 0.000 0.968 631 T HN 0.471 nan 8.240 nan 0.000 0.521 632 S N 1.621 117.318 115.700 -0.004 0.000 2.607 632 S HA 0.096 4.565 4.470 -0.001 0.000 0.224 632 S C 0.579 175.153 174.600 -0.044 0.000 0.969 632 S CA -0.387 57.802 58.200 -0.018 0.000 0.927 632 S CB -0.354 62.835 63.200 -0.018 0.000 0.772 632 S HN 0.766 nan 8.310 nan 0.000 0.533 633 R N 0.105 120.572 120.500 -0.055 0.000 2.574 633 R HA 0.691 5.031 4.340 -0.001 0.000 0.288 633 R C -1.942 174.288 176.300 -0.118 0.000 1.004 633 R CA -0.628 55.411 56.100 -0.102 0.000 0.895 633 R CB 2.484 32.708 30.300 -0.125 0.000 1.191 633 R HN 0.094 nan 8.270 nan 0.000 0.444 634 V N 1.647 121.474 119.914 -0.146 0.000 2.525 634 V HA 0.613 4.733 4.120 -0.001 0.000 0.299 634 V C 0.169 176.205 176.094 -0.097 0.000 1.034 634 V CA -0.823 61.381 62.300 -0.159 0.000 0.863 634 V CB 1.922 33.609 31.823 -0.227 0.000 0.999 634 V HN 0.952 nan 8.190 nan 0.000 0.423 635 G N 2.193 110.884 108.800 -0.181 0.000 2.441 635 G HA2 0.671 4.630 3.960 -0.001 0.000 0.334 635 G HA3 0.671 4.630 3.960 -0.001 0.000 0.334 635 G C -1.428 173.337 174.900 -0.226 0.000 1.161 635 G CA -0.743 44.235 45.100 -0.203 0.000 0.935 635 G HN 0.650 nan 8.290 nan 0.000 0.488 636 V N 0.755 120.546 119.914 -0.205 0.000 2.638 636 V HA 0.374 4.493 4.120 -0.001 0.000 0.306 636 V C -0.776 175.205 176.094 -0.189 0.000 1.052 636 V CA -1.103 61.032 62.300 -0.275 0.000 0.885 636 V CB 1.889 33.463 31.823 -0.416 0.000 0.999 636 V HN 0.772 nan 8.190 nan 0.000 0.424 637 N N 5.491 124.081 118.700 -0.183 0.000 2.448 637 N HA 0.257 4.996 4.740 -0.001 0.000 0.250 637 N C -0.768 174.892 175.510 0.249 0.000 1.136 637 N CA -0.173 52.864 53.050 -0.022 0.000 0.953 637 N CB 0.342 38.660 38.487 -0.281 0.000 1.251 637 N HN 0.597 nan 8.380 nan 0.000 0.502 638 F N 4.269 124.267 119.950 0.079 0.000 2.494 638 F HA 0.111 4.638 4.527 -0.001 0.000 0.369 638 F C 0.344 176.335 175.800 0.318 0.000 1.098 638 F CA -0.517 57.530 58.000 0.078 0.000 1.154 638 F CB 0.219 39.217 39.000 -0.003 0.000 1.103 638 F HN 0.540 nan 8.300 nan 0.000 0.549 639 W N 5.631 126.638 121.300 -0.488 0.000 2.128 639 W HA 0.355 5.014 4.660 -0.001 0.000 0.356 639 W C -0.966 175.326 176.519 -0.377 0.000 0.891 639 W CA -0.803 56.393 57.345 -0.248 0.000 2.408 639 W CB -0.949 28.581 29.460 0.117 0.000 1.234 639 W HN 0.213 nan 8.180 nan 0.000 0.597 640 D N 2.381 122.181 120.400 -1.001 0.000 2.377 640 D HA 0.184 4.823 4.640 -0.001 0.000 0.245 640 D C 0.858 177.000 176.300 -0.263 0.000 1.196 640 D CA 0.602 54.230 54.000 -0.620 0.000 0.962 640 D CB 1.598 42.097 40.800 -0.503 0.000 1.127 640 D HN -0.028 nan 8.370 nan 0.000 0.471 641 T N -1.660 112.792 114.554 -0.170 0.000 2.918 641 T HA 0.340 4.689 4.350 -0.001 0.000 0.283 641 T C 1.728 176.260 174.700 -0.280 0.000 1.001 641 T CA -0.810 61.093 62.100 -0.328 0.000 1.041 641 T CB 0.788 69.162 68.868 -0.823 0.000 1.028 641 T HN 0.209 nan 8.240 nan 0.000 0.511 642 L N 0.536 121.665 121.223 -0.157 0.000 2.027 642 L HA -0.045 4.295 4.340 -0.001 0.000 0.206 642 L C 2.565 179.463 176.870 0.047 0.000 1.074 642 L CA 1.476 56.395 54.840 0.132 0.000 0.745 642 L CB -0.729 41.556 42.059 0.377 0.000 0.898 642 L HN 0.901 nan 8.230 nan 0.000 0.433 643 Y N -3.327 116.741 120.300 -0.386 0.000 2.651 643 Y HA -0.142 4.407 4.550 -0.001 0.000 0.296 643 Y C 1.409 177.198 175.900 -0.186 0.000 1.150 643 Y CA -0.066 57.711 58.100 -0.538 0.000 1.348 643 Y CB -0.905 36.921 38.460 -1.057 0.000 0.983 643 Y HN 0.124 nan 8.280 nan 0.000 0.555 644 W N 1.295 122.464 121.300 -0.219 0.000 3.015 644 W HA 0.529 5.189 4.660 -0.001 0.000 0.429 644 W C 1.172 177.603 176.519 -0.146 0.000 0.976 644 W CA -0.238 57.037 57.345 -0.116 0.000 2.086 644 W CB 0.226 29.550 29.460 -0.226 0.000 1.125 644 W HN 0.394 nan 8.180 nan 0.000 0.721 645 G N -0.178 108.576 108.800 -0.078 0.000 2.175 645 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.244 645 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.244 645 G C 1.308 175.825 174.900 -0.639 0.000 0.982 645 G CA 0.231 44.996 45.100 -0.558 0.000 0.641 645 G HN 0.439 nan 8.290 nan 0.000 0.527 646 G N 1.125 109.751 108.800 -0.290 0.000 2.422 646 G HA2 0.094 4.053 3.960 -0.001 0.000 0.218 646 G HA3 0.094 4.053 3.960 -0.001 0.000 0.218 646 G C 1.515 176.363 174.900 -0.088 0.000 1.146 646 G CA 1.534 46.667 45.100 0.054 0.000 0.769 646 G HN 1.175 nan 8.290 nan 0.000 0.547 647 F N 0.710 120.721 119.950 0.103 0.000 2.664 647 F HA 0.189 4.715 4.527 -0.001 0.000 0.297 647 F C 1.418 177.193 175.800 -0.042 0.000 1.164 647 F CA 0.793 58.791 58.000 -0.002 0.000 1.472 647 F CB -0.326 38.719 39.000 0.075 0.000 1.108 647 F HN 0.256 nan 8.300 nan 0.000 0.596 648 D N -0.036 120.103 120.400 -0.435 0.000 2.457 648 D HA -0.010 4.629 4.640 -0.001 0.000 0.254 648 D C 2.019 178.257 176.300 -0.104 0.000 1.097 648 D CA 0.852 54.766 54.000 -0.143 0.000 0.870 648 D CB 0.018 40.746 40.800 -0.120 0.000 1.253 648 D HN 0.130 nan 8.370 nan 0.000 0.500 649 S N -0.333 115.309 115.700 -0.097 0.000 2.461 649 S HA -0.063 4.407 4.470 -0.001 0.000 0.228 649 S C 2.047 176.732 174.600 0.142 0.000 1.005 649 S CA 0.671 58.922 58.200 0.085 0.000 0.942 649 S CB -0.176 63.147 63.200 0.204 0.000 0.776 649 S HN 0.136 nan 8.310 nan 0.000 0.514 650 V N 2.975 122.774 119.914 -0.192 0.000 2.407 650 V HA -0.225 3.895 4.120 -0.001 0.000 0.248 650 V C 1.932 177.997 176.094 -0.048 0.000 1.055 650 V CA 2.366 64.331 62.300 -0.558 0.000 1.049 650 V CB -1.214 29.884 31.823 -1.209 0.000 0.662 650 V HN 0.466 nan 8.190 nan 0.000 0.455 651 N N 1.190 119.845 118.700 -0.074 0.000 2.021 651 N HA -0.218 4.521 4.740 -0.001 0.000 0.198 651 N C 1.383 177.004 175.510 0.186 0.000 1.041 651 N CA 2.080 55.232 53.050 0.169 0.000 0.862 651 N CB -0.735 37.816 38.487 0.107 0.000 1.048 651 N HN 0.561 nan 8.380 nan 0.000 0.427 652 D N -1.099 119.341 120.400 0.068 0.000 2.322 652 D HA -0.189 4.450 4.640 -0.001 0.000 0.210 652 D C 1.331 177.595 176.300 -0.060 0.000 0.983 652 D CA 0.796 54.770 54.000 -0.042 0.000 0.902 652 D CB -0.330 40.356 40.800 -0.190 0.000 0.905 652 D HN 0.500 nan 8.370 nan 0.000 0.483 653 W N 0.939 122.340 121.300 0.169 0.000 2.580 653 W HA 0.254 4.914 4.660 -0.001 0.000 0.287 653 W C 2.676 179.355 176.519 0.267 0.000 1.175 653 W CA 0.646 58.127 57.345 0.226 0.000 1.409 653 W CB -0.394 29.154 29.460 0.147 0.000 1.101 653 W HN -0.092 nan 8.180 nan 0.000 0.558 654 A N 0.446 123.492 122.820 0.377 0.000 1.930 654 A HA -0.179 4.141 4.320 -0.001 0.000 0.217 654 A C 1.709 179.347 177.584 0.090 0.000 1.175 654 A CA 1.723 53.868 52.037 0.179 0.000 0.627 654 A CB -0.800 18.211 19.000 0.017 0.000 0.815 654 A HN 0.263 nan 8.150 nan 0.000 0.443 655 N N -0.108 118.651 118.700 0.099 0.000 2.453 655 N HA -0.061 4.678 4.740 -0.001 0.000 0.183 655 N C 0.748 176.267 175.510 0.014 0.000 1.041 655 N CA 0.742 53.815 53.050 0.038 0.000 0.900 655 N CB -0.021 38.495 38.487 0.047 0.000 0.961 655 N HN 0.252 nan 8.380 nan 0.000 0.443 656 K N -0.119 120.306 120.400 0.041 0.000 2.410 656 K HA 0.206 4.525 4.320 -0.001 0.000 0.200 656 K C 0.874 177.379 176.600 -0.159 0.000 1.023 656 K CA -0.081 56.200 56.287 -0.010 0.000 1.149 656 K CB 0.278 32.819 32.500 0.069 0.000 0.859 656 K HN 0.243 nan 8.250 nan 0.000 0.514 657 G N 0.601 109.332 108.800 -0.114 0.000 2.176 657 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.232 657 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.232 657 G C -0.206 174.553 174.900 -0.235 0.000 0.986 657 G CA -0.240 44.738 45.100 -0.203 0.000 0.643 657 G HN 0.252 nan 8.290 nan 0.000 0.522 658 Y N 1.172 121.510 120.300 0.063 0.000 2.304 658 Y HA 0.523 5.072 4.550 -0.001 0.000 0.327 658 Y C 1.000 176.893 175.900 -0.013 0.000 1.209 658 Y CA -0.490 57.641 58.100 0.052 0.000 1.299 658 Y CB 0.713 39.315 38.460 0.237 0.000 1.249 658 Y HN 0.144 nan 8.280 nan 0.000 0.519 659 E N 1.851 122.072 120.200 0.035 0.000 2.052 659 E HA 0.222 4.571 4.350 -0.001 0.000 0.283 659 E C -1.083 175.502 176.600 -0.025 0.000 1.071 659 E CA -0.411 55.919 56.400 -0.117 0.000 0.851 659 E CB 0.708 30.107 29.700 -0.501 0.000 1.066 659 E HN 0.307 nan 8.360 nan 0.000 0.396 660 V N 4.895 124.847 119.914 0.063 0.000 2.405 660 V HA 0.010 4.129 4.120 -0.001 0.000 0.264 660 V C 0.189 176.285 176.094 0.002 0.000 1.048 660 V CA -0.294 62.051 62.300 0.074 0.000 0.966 660 V CB 0.884 32.815 31.823 0.180 0.000 1.015 660 V HN 0.395 nan 8.190 nan 0.000 0.477 661 V N 6.982 126.850 119.914 -0.076 0.000 2.339 661 V HA 0.160 4.279 4.120 -0.001 0.000 0.261 661 V C 0.388 176.488 176.094 0.010 0.000 1.058 661 V CA -0.348 61.846 62.300 -0.177 0.000 0.897 661 V CB 1.316 32.893 31.823 -0.409 0.000 1.052 661 V HN 0.628 nan 8.190 nan 0.000 0.480 662 V N 5.158 125.095 119.914 0.038 0.000 2.540 662 V HA 0.100 4.219 4.120 -0.001 0.000 0.297 662 V C 0.969 177.237 176.094 0.289 0.000 1.024 662 V CA 0.717 63.141 62.300 0.206 0.000 1.105 662 V CB 1.174 33.079 31.823 0.136 0.000 0.938 662 V HN 0.997 nan 8.190 nan 0.000 0.482 663 S N 2.810 118.745 115.700 0.392 0.000 3.093 663 S HA 0.183 4.653 4.470 -0.001 0.000 0.251 663 S C 0.099 174.935 174.600 0.394 0.000 0.905 663 S CA -0.741 57.693 58.200 0.389 0.000 1.124 663 S CB -0.105 63.361 63.200 0.443 0.000 1.124 663 S HN 0.880 nan 8.310 nan 0.000 0.574 664 N N 4.207 123.096 118.700 0.315 0.000 2.301 664 N HA 0.039 4.779 4.740 -0.001 0.000 0.267 664 N C -1.570 173.889 175.510 -0.086 0.000 1.304 664 N CA -0.779 52.355 53.050 0.140 0.000 0.851 664 N CB 0.465 39.057 38.487 0.175 0.000 1.070 664 N HN 0.186 nan 8.380 nan 0.000 0.483 665 P HA -0.128 nan 4.420 nan 0.000 0.221 665 P C 0.048 177.042 177.300 -0.511 0.000 1.150 665 P CA 1.043 63.534 63.100 -1.016 0.000 0.800 665 P CB 0.215 31.062 31.700 -1.422 0.000 0.787 666 D N -2.051 118.128 120.400 -0.369 0.000 2.363 666 D HA -0.125 4.514 4.640 -0.001 0.000 0.226 666 D C 0.936 176.738 176.300 -0.829 0.000 1.020 666 D CA 0.797 54.507 54.000 -0.483 0.000 0.892 666 D CB -0.707 39.794 40.800 -0.499 0.000 0.900 666 D HN 0.280 nan 8.370 nan 0.000 0.531 667 Y N -0.718 119.326 120.300 -0.426 0.000 2.619 667 Y HA 0.116 4.666 4.550 -0.001 0.000 0.273 667 Y C 1.579 177.280 175.900 -0.332 0.000 1.175 667 Y CA -0.075 57.727 58.100 -0.495 0.000 1.157 667 Y CB 0.864 38.680 38.460 -1.073 0.000 1.329 667 Y HN -0.009 nan 8.280 nan 0.000 0.503 668 V N -3.014 116.846 119.914 -0.089 0.000 3.006 668 V HA 0.388 4.507 4.120 -0.001 0.000 0.357 668 V C -1.076 175.044 176.094 0.043 0.000 1.377 668 V CA -0.437 61.867 62.300 0.007 0.000 1.198 668 V CB -0.936 30.951 31.823 0.106 0.000 1.216 668 V HN 0.047 nan 8.190 nan 0.000 0.520 669 Y N 1.065 121.142 120.300 -0.370 0.000 2.434 669 Y HA 0.570 5.120 4.550 -0.001 0.000 0.341 669 Y C 1.234 176.846 175.900 -0.480 0.000 0.965 669 Y CA -1.280 56.483 58.100 -0.561 0.000 1.205 669 Y CB 1.812 39.563 38.460 -1.181 0.000 1.121 669 Y HN 0.231 nan 8.280 nan 0.000 0.507 670 M N 1.611 121.074 119.600 -0.228 0.000 2.618 670 M HA -0.046 4.433 4.480 -0.001 0.000 0.240 670 M C 0.747 177.001 176.300 -0.076 0.000 1.123 670 M CA 0.540 55.741 55.300 -0.164 0.000 1.060 670 M CB 0.090 32.594 32.600 -0.161 0.000 1.535 670 M HN 0.542 nan 8.290 nan 0.000 0.507 671 D N 0.064 120.416 120.400 -0.080 0.000 2.340 671 D HA -0.012 4.627 4.640 -0.001 0.000 0.220 671 D C 0.203 176.694 176.300 0.317 0.000 1.039 671 D CA 0.230 54.281 54.000 0.084 0.000 0.866 671 D CB -0.034 40.831 40.800 0.108 0.000 0.913 671 D HN 0.105 nan 8.370 nan 0.000 0.523 672 F N 1.401 121.374 119.950 0.039 0.000 2.378 672 F HA 0.439 4.966 4.527 -0.001 0.000 0.325 672 F C -1.954 173.840 175.800 -0.010 0.000 1.097 672 F CA -3.612 54.389 58.000 0.001 0.000 1.079 672 F CB -0.021 38.937 39.000 -0.069 0.000 1.240 672 F HN -0.298 nan 8.300 nan 0.000 0.519 673 P HA 0.075 nan 4.420 nan 0.000 0.271 673 P C 0.021 177.472 177.300 0.250 0.000 1.218 673 P CA 0.095 63.288 63.100 0.155 0.000 0.780 673 P CB 0.447 32.105 31.700 -0.071 0.000 0.901 674 Y N 0.538 120.953 120.300 0.191 0.000 2.373 674 Y HA -0.055 4.494 4.550 -0.001 0.000 0.293 674 Y C 1.356 177.397 175.900 0.236 0.000 1.129 674 Y CA 1.158 59.371 58.100 0.189 0.000 1.226 674 Y CB 0.262 38.788 38.460 0.111 0.000 1.000 674 Y HN 0.442 nan 8.280 nan 0.000 0.549 675 E N -2.275 118.128 120.200 0.338 0.000 2.423 675 E HA 0.382 4.732 4.350 -0.001 0.000 0.280 675 E C -1.584 175.088 176.600 0.120 0.000 1.030 675 E CA -0.889 55.562 56.400 0.085 0.000 0.812 675 E CB 1.332 31.019 29.700 -0.022 0.000 1.313 675 E HN -0.287 nan 8.360 nan 0.000 0.456 676 V N 2.720 122.564 119.914 -0.116 0.000 2.341 676 V HA 0.254 4.373 4.120 -0.001 0.000 0.248 676 V C -0.208 175.756 176.094 -0.218 0.000 1.107 676 V CA -0.081 62.172 62.300 -0.079 0.000 1.069 676 V CB -0.918 30.758 31.823 -0.245 0.000 1.177 676 V HN 0.610 nan 8.190 nan 0.000 0.492 677 N N 6.066 124.704 118.700 -0.103 0.000 2.578 677 N HA 0.274 5.014 4.740 -0.001 0.000 0.282 677 N C -2.567 172.837 175.510 -0.177 0.000 1.119 677 N CA -1.179 51.769 53.050 -0.169 0.000 0.948 677 N CB 3.144 41.595 38.487 -0.061 0.000 1.546 677 N HN 0.022 nan 8.380 nan 0.000 0.525 678 P HA -0.028 nan 4.420 nan 0.000 0.222 678 P C 0.071 177.248 177.300 -0.205 0.000 1.142 678 P CA 1.086 63.887 63.100 -0.498 0.000 0.788 678 P CB 0.341 31.682 31.700 -0.599 0.000 0.767 679 D N -1.361 119.001 120.400 -0.063 0.000 2.340 679 D HA 0.017 4.657 4.640 -0.001 0.000 0.220 679 D C 0.651 177.017 176.300 0.111 0.000 1.039 679 D CA 0.531 54.537 54.000 0.010 0.000 0.866 679 D CB -0.004 40.796 40.800 -0.000 0.000 0.913 679 D HN 0.215 nan 8.370 nan 0.000 0.523 680 E N 0.790 121.137 120.200 0.244 0.000 2.318 680 E HA 0.223 4.572 4.350 -0.001 0.000 0.265 680 E C 0.265 177.001 176.600 0.226 0.000 1.069 680 E CA -0.407 56.155 56.400 0.269 0.000 0.893 680 E CB 1.793 31.698 29.700 0.342 0.000 1.076 680 E HN 0.020 nan 8.360 nan 0.000 0.414 681 R N -0.058 120.542 120.500 0.167 0.000 2.459 681 R HA 0.521 4.860 4.340 -0.001 0.000 0.281 681 R C -0.242 176.129 176.300 0.119 0.000 1.050 681 R CA 0.122 56.296 56.100 0.123 0.000 1.055 681 R CB 0.689 31.029 30.300 0.067 0.000 1.045 681 R HN 0.641 nan 8.270 nan 0.000 0.495 682 G N 2.014 110.887 108.800 0.121 0.000 2.307 682 G HA2 0.007 3.967 3.960 -0.001 0.000 0.348 682 G HA3 0.007 3.967 3.960 -0.001 0.000 0.348 682 G C -1.870 173.225 174.900 0.325 0.000 1.603 682 G CA -0.870 44.343 45.100 0.187 0.000 0.961 682 G HN 0.338 nan 8.290 nan 0.000 0.686 683 Y N -0.018 120.431 120.300 0.248 0.000 2.260 683 Y HA 0.538 5.088 4.550 -0.001 0.000 0.339 683 Y C 1.313 177.177 175.900 -0.060 0.000 1.317 683 Y CA 0.096 58.307 58.100 0.185 0.000 1.514 683 Y CB 0.769 39.414 38.460 0.307 0.000 1.382 683 Y HN 0.824 nan 8.280 nan 0.000 0.581 684 Y N -2.155 117.960 120.300 -0.309 0.000 2.990 684 Y HA 0.150 4.699 4.550 -0.001 0.000 0.240 684 Y C 0.648 176.217 175.900 -0.551 0.000 1.060 684 Y CA -1.595 56.052 58.100 -0.755 0.000 1.167 684 Y CB -1.294 36.987 38.460 -0.298 0.000 1.242 684 Y HN 0.681 nan 8.280 nan 0.000 0.650 685 W N 0.462 121.348 121.300 -0.690 0.000 2.388 685 W HA 0.208 4.867 4.660 -0.001 0.000 0.294 685 W C 1.109 177.575 176.519 -0.089 0.000 1.212 685 W CA 1.481 58.665 57.345 -0.267 0.000 1.271 685 W CB -0.973 28.398 29.460 -0.150 0.000 1.126 685 W HN 0.338 nan 8.180 nan 0.000 0.535 686 G N 0.072 108.341 108.800 -0.885 0.000 2.683 686 G HA2 0.168 4.127 3.960 -0.001 0.000 0.213 686 G HA3 0.168 4.127 3.960 -0.001 0.000 0.213 686 G C 0.152 174.887 174.900 -0.275 0.000 1.142 686 G CA 1.207 46.005 45.100 -0.503 0.000 0.793 686 G HN 0.263 nan 8.290 nan 0.000 0.534 687 T N -2.303 111.997 114.554 -0.423 0.000 2.770 687 T HA 0.368 4.717 4.350 -0.001 0.000 0.323 687 T C 0.087 174.655 174.700 -0.221 0.000 1.683 687 T CA -0.590 61.341 62.100 -0.281 0.000 1.024 687 T CB 1.542 70.219 68.868 -0.317 0.000 1.557 687 T HN -0.052 nan 8.240 nan 0.000 0.494 688 R N 0.597 121.059 120.500 -0.064 0.000 2.210 688 R HA 0.452 4.792 4.340 -0.001 0.000 0.203 688 R C 0.041 176.501 176.300 0.267 0.000 1.010 688 R CA 0.972 57.164 56.100 0.152 0.000 1.008 688 R CB -0.083 30.361 30.300 0.240 0.000 0.923 688 R HN 0.537 nan 8.270 nan 0.000 0.469 689 F N -4.182 115.752 119.950 -0.026 0.000 2.719 689 F HA 0.609 5.136 4.527 -0.001 0.000 0.309 689 F C -1.454 174.314 175.800 -0.055 0.000 1.138 689 F CA -1.215 56.784 58.000 -0.002 0.000 0.943 689 F CB 1.131 40.151 39.000 0.033 0.000 1.304 689 F HN -0.316 nan 8.300 nan 0.000 0.445 690 S N 2.140 117.735 115.700 -0.175 0.000 2.423 690 S HA 0.327 4.797 4.470 -0.001 0.000 0.213 690 S C -1.347 173.168 174.600 -0.142 0.000 1.131 690 S CA -0.807 57.213 58.200 -0.299 0.000 1.155 690 S CB 0.304 63.350 63.200 -0.258 0.000 1.202 690 S HN 0.828 nan 8.310 nan 0.000 0.441 691 D N 1.397 121.817 120.400 0.033 0.000 2.478 691 D HA 0.313 4.953 4.640 -0.001 0.000 0.269 691 D C 1.081 177.376 176.300 -0.008 0.000 1.232 691 D CA -0.591 53.462 54.000 0.088 0.000 1.059 691 D CB 0.415 41.383 40.800 0.279 0.000 1.104 691 D HN 0.215 nan 8.370 nan 0.000 0.566 692 E N -0.812 119.452 120.200 0.107 0.000 2.097 692 E HA -0.227 4.122 4.350 -0.001 0.000 0.196 692 E C 2.008 178.432 176.600 -0.293 0.000 1.000 692 E CA 1.597 58.075 56.400 0.130 0.000 0.804 692 E CB -0.107 29.870 29.700 0.460 0.000 0.740 692 E HN 0.468 nan 8.360 nan 0.000 0.454 693 R N 0.961 121.055 120.500 -0.676 0.000 2.075 693 R HA -0.155 4.184 4.340 -0.001 0.000 0.232 693 R C 2.203 178.145 176.300 -0.597 0.000 1.126 693 R CA 1.667 56.926 56.100 -1.401 0.000 0.963 693 R CB -0.064 29.557 30.300 -1.132 0.000 0.858 693 R HN 0.035 nan 8.270 nan 0.000 0.435 694 K N 0.152 120.392 120.400 -0.266 0.000 2.057 694 K HA -0.092 4.227 4.320 -0.001 0.000 0.207 694 K C 1.931 178.548 176.600 0.028 0.000 1.049 694 K CA 1.526 57.747 56.287 -0.110 0.000 0.931 694 K CB 0.034 32.413 32.500 -0.201 0.000 0.714 694 K HN 0.069 nan 8.250 nan 0.000 0.440 695 V N 1.222 121.141 119.914 0.009 0.000 2.287 695 V HA -0.253 3.866 4.120 -0.001 0.000 0.248 695 V C 2.110 178.338 176.094 0.223 0.000 1.053 695 V CA 2.049 64.421 62.300 0.120 0.000 1.027 695 V CB -0.652 31.219 31.823 0.081 0.000 0.646 695 V HN 0.363 nan 8.190 nan 0.000 0.447 696 F N 1.628 121.566 119.950 -0.019 0.000 2.161 696 F HA -0.189 4.338 4.527 -0.001 0.000 0.300 696 F C 2.351 178.262 175.800 0.185 0.000 1.089 696 F CA 1.900 59.927 58.000 0.045 0.000 1.282 696 F CB -0.266 38.729 39.000 -0.008 0.000 1.010 696 F HN 0.117 nan 8.300 nan 0.000 0.485 697 S N -0.014 115.876 115.700 0.317 0.000 2.607 697 S HA -0.026 4.443 4.470 -0.001 0.000 0.224 697 S C 0.306 175.099 174.600 0.322 0.000 0.969 697 S CA -0.271 58.058 58.200 0.214 0.000 0.927 697 S CB -0.805 62.404 63.200 0.015 0.000 0.772 697 S HN 0.280 nan 8.310 nan 0.000 0.533 698 F N 3.389 123.408 119.950 0.114 0.000 2.495 698 F HA 0.464 4.990 4.527 -0.001 0.000 0.365 698 F C 0.269 176.070 175.800 0.001 0.000 1.090 698 F CA -1.905 56.062 58.000 -0.054 0.000 1.235 698 F CB 0.137 39.062 39.000 -0.124 0.000 1.119 698 F HN -0.001 nan 8.300 nan 0.000 0.562 699 A N 9.069 131.713 122.820 -0.293 0.000 2.322 699 A HA 0.488 4.808 4.320 -0.001 0.000 0.327 699 A C -2.089 175.045 177.584 -0.750 0.000 1.394 699 A CA -1.295 50.510 52.037 -0.387 0.000 0.921 699 A CB 0.074 18.980 19.000 -0.157 0.000 1.153 699 A HN 0.596 nan 8.150 nan 0.000 0.523 700 P HA -0.028 nan 4.420 nan 0.000 0.231 700 P C 0.249 177.432 177.300 -0.194 0.000 1.168 700 P CA 0.987 63.649 63.100 -0.731 0.000 0.779 700 P CB 0.507 31.923 31.700 -0.474 0.000 0.844 701 D N -1.084 119.298 120.400 -0.030 0.000 2.369 701 D HA 0.035 4.675 4.640 -0.001 0.000 0.211 701 D C -0.011 176.428 176.300 0.232 0.000 1.077 701 D CA 0.287 54.433 54.000 0.244 0.000 0.842 701 D CB -0.296 40.654 40.800 0.249 0.000 0.947 701 D HN -0.044 nan 8.370 nan 0.000 0.509 702 N N 0.440 119.138 118.700 -0.002 0.000 2.726 702 N HA 0.147 4.886 4.740 -0.001 0.000 0.253 702 N C 0.764 176.201 175.510 -0.122 0.000 1.530 702 N CA -0.058 53.003 53.050 0.018 0.000 0.772 702 N CB 0.228 38.745 38.487 0.051 0.000 1.220 702 N HN -0.133 nan 8.380 nan 0.000 0.508 703 M N 0.471 119.963 119.600 -0.180 0.000 2.108 703 M HA -0.038 4.441 4.480 -0.001 0.000 0.261 703 M C -0.789 175.487 176.300 -0.039 0.000 1.066 703 M CA 1.724 56.963 55.300 -0.101 0.000 1.107 703 M CB -0.995 31.561 32.600 -0.074 0.000 1.356 703 M HN 0.262 nan 8.290 nan 0.000 0.406 704 P HA -0.235 nan 4.420 nan 0.000 0.217 704 P C 1.159 178.160 177.300 -0.499 0.000 1.151 704 P CA 1.429 64.430 63.100 -0.165 0.000 0.849 704 P CB -0.407 31.296 31.700 0.005 0.000 0.787 705 Q N -0.680 118.626 119.800 -0.823 0.000 2.291 705 Q HA -0.165 4.175 4.340 -0.001 0.000 0.206 705 Q C 1.610 177.314 176.000 -0.493 0.000 0.976 705 Q CA 1.218 56.283 55.803 -1.229 0.000 0.875 705 Q CB -0.965 27.232 28.738 -0.902 0.000 0.927 705 Q HN 0.247 nan 8.270 nan 0.000 0.450 706 N N 1.036 119.606 118.700 -0.216 0.000 2.430 706 N HA -0.121 4.618 4.740 -0.001 0.000 0.186 706 N C 1.578 177.051 175.510 -0.062 0.000 1.032 706 N CA 1.169 54.222 53.050 0.006 0.000 0.893 706 N CB -0.104 38.486 38.487 0.171 0.000 0.957 706 N HN 0.488 nan 8.380 nan 0.000 0.442 707 A N 1.125 123.749 122.820 -0.326 0.000 2.070 707 A HA -0.112 4.208 4.320 -0.001 0.000 0.220 707 A C 1.921 179.230 177.584 -0.458 0.000 1.159 707 A CA 1.072 52.601 52.037 -0.847 0.000 0.656 707 A CB -0.174 18.406 19.000 -0.701 0.000 0.800 707 A HN 0.289 nan 8.150 nan 0.000 0.453 708 E N -1.001 119.081 120.200 -0.197 0.000 2.474 708 E HA -0.025 4.324 4.350 -0.001 0.000 0.194 708 E C 1.126 177.698 176.600 -0.047 0.000 1.041 708 E CA 0.987 57.334 56.400 -0.088 0.000 0.874 708 E CB 0.162 29.886 29.700 0.040 0.000 0.914 708 E HN 0.776 nan 8.360 nan 0.000 0.498 709 T N -2.423 112.110 114.554 -0.034 0.000 3.043 709 T HA 0.157 4.507 4.350 -0.001 0.000 0.272 709 T C 0.390 175.131 174.700 0.069 0.000 0.990 709 T CA -0.285 61.825 62.100 0.015 0.000 0.897 709 T CB 0.484 69.360 68.868 0.013 0.000 1.111 709 T HN 0.031 nan 8.240 nan 0.000 0.529 710 S N 0.491 116.251 115.700 0.101 0.000 2.625 710 S HA 0.808 5.277 4.470 -0.001 0.000 0.271 710 S C -0.800 173.918 174.600 0.197 0.000 1.161 710 S CA -0.447 57.853 58.200 0.166 0.000 0.820 710 S CB 1.698 65.096 63.200 0.329 0.000 1.137 710 S HN 0.809 nan 8.310 nan 0.000 0.470 711 V N -0.850 119.151 119.914 0.145 0.000 3.019 711 V HA 0.826 4.946 4.120 -0.001 0.000 0.317 711 V C -0.261 175.868 176.094 0.059 0.000 1.094 711 V CA -0.827 61.553 62.300 0.134 0.000 1.000 711 V CB 1.135 32.936 31.823 -0.037 0.000 1.060 711 V HN 1.104 nan 8.190 nan 0.000 0.443 712 D N 1.603 121.967 120.400 -0.059 0.000 2.440 712 D HA 0.143 4.782 4.640 -0.001 0.000 0.269 712 D C 1.293 177.277 176.300 -0.528 0.000 1.249 712 D CA -0.046 53.641 54.000 -0.521 0.000 1.055 712 D CB 0.381 40.656 40.800 -0.876 0.000 1.104 712 D HN 0.756 nan 8.370 nan 0.000 0.561 713 R N -1.111 118.893 120.500 -0.825 0.000 2.200 713 R HA -0.114 4.226 4.340 -0.001 0.000 0.234 713 R C -0.008 176.129 176.300 -0.271 0.000 1.127 713 R CA 1.415 57.233 56.100 -0.470 0.000 0.989 713 R CB -0.364 29.668 30.300 -0.448 0.000 0.869 713 R HN 0.251 nan 8.270 nan 0.000 0.459 714 D N -0.495 119.727 120.400 -0.297 0.000 2.402 714 D HA 0.173 4.812 4.640 -0.001 0.000 0.216 714 D C 0.593 176.831 176.300 -0.104 0.000 1.128 714 D CA 0.659 54.556 54.000 -0.171 0.000 0.833 714 D CB 1.030 41.718 40.800 -0.185 0.000 0.971 714 D HN 0.470 nan 8.370 nan 0.000 0.503 715 G N 1.184 109.920 108.800 -0.108 0.000 2.148 715 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.254 715 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.254 715 G C 0.198 175.026 174.900 -0.121 0.000 0.981 715 G CA -0.135 44.927 45.100 -0.064 0.000 0.670 715 G HN 0.366 nan 8.290 nan 0.000 0.528 716 N N 0.060 118.681 118.700 -0.132 0.000 2.495 716 N HA 0.483 5.222 4.740 -0.001 0.000 0.280 716 N C 0.283 175.742 175.510 -0.086 0.000 1.168 716 N CA -0.880 52.095 53.050 -0.125 0.000 0.978 716 N CB 0.515 38.964 38.487 -0.064 0.000 1.191 716 N HN 0.199 nan 8.380 nan 0.000 0.497 717 H N 0.668 119.767 119.070 0.048 0.000 2.771 717 H HA 0.166 4.722 4.556 -0.001 0.000 0.364 717 H C -0.468 174.937 175.328 0.128 0.000 1.133 717 H CA 0.362 56.431 56.048 0.035 0.000 1.423 717 H CB 0.362 30.108 29.762 -0.027 0.000 1.425 717 H HN 0.452 nan 8.280 nan 0.000 0.606 718 F N -0.303 119.720 119.950 0.122 0.000 2.629 718 F HA 0.488 5.015 4.527 -0.001 0.000 0.316 718 F C -0.750 175.080 175.800 0.050 0.000 1.081 718 F CA -1.266 56.778 58.000 0.074 0.000 0.954 718 F CB 1.079 40.122 39.000 0.071 0.000 1.337 718 F HN 0.203 nan 8.300 nan 0.000 0.474 719 N N 0.597 119.373 118.700 0.126 0.000 2.432 719 N HA 0.824 5.564 4.740 -0.001 0.000 0.292 719 N C -1.516 173.926 175.510 -0.114 0.000 1.193 719 N CA -0.706 52.324 53.050 -0.033 0.000 0.878 719 N CB 1.979 40.484 38.487 0.030 0.000 1.252 719 N HN 1.056 nan 8.380 nan 0.000 0.520 720 A N 0.358 122.986 122.820 -0.320 0.000 2.540 720 A HA 0.653 4.973 4.320 -0.001 0.000 0.297 720 A C -1.191 176.131 177.584 -0.436 0.000 1.056 720 A CA -0.748 50.703 52.037 -0.975 0.000 0.700 720 A CB 1.409 19.662 19.000 -1.246 0.000 1.280 720 A HN 0.744 nan 8.150 nan 0.000 0.398 721 K N 0.353 120.589 120.400 -0.273 0.000 2.578 721 K HA 0.738 5.058 4.320 -0.001 0.000 0.269 721 K C -1.599 175.171 176.600 0.284 0.000 0.941 721 K CA -0.277 56.045 56.287 0.059 0.000 0.847 721 K CB 1.851 34.379 32.500 0.046 0.000 1.397 721 K HN 0.844 nan 8.250 nan 0.000 0.422 722 S N 0.711 116.564 115.700 0.254 0.000 2.570 722 S HA 0.391 4.860 4.470 -0.001 0.000 0.286 722 S C -0.934 173.786 174.600 0.200 0.000 1.099 722 S CA -0.632 57.738 58.200 0.283 0.000 0.913 722 S CB 1.546 64.949 63.200 0.338 0.000 1.085 722 S HN 0.695 nan 8.310 nan 0.000 0.480 723 D N 1.616 122.122 120.400 0.178 0.000 2.433 723 D HA 0.184 4.824 4.640 -0.001 0.000 0.211 723 D C -0.231 176.171 176.300 0.170 0.000 1.114 723 D CA 0.184 54.266 54.000 0.137 0.000 0.837 723 D CB 0.595 41.453 40.800 0.096 0.000 0.984 723 D HN 0.481 nan 8.370 nan 0.000 0.505 724 K N 1.383 121.912 120.400 0.215 0.000 2.090 724 K HA 0.442 4.761 4.320 -0.001 0.000 0.249 724 K C -2.601 174.162 176.600 0.271 0.000 0.995 724 K CA -1.741 54.663 56.287 0.196 0.000 0.914 724 K CB 0.241 32.831 32.500 0.150 0.000 1.057 724 K HN -0.239 nan 8.250 nan 0.000 0.462 725 P HA -0.086 nan 4.420 nan 0.000 0.266 725 P C -1.175 176.244 177.300 0.198 0.000 1.195 725 P CA 0.019 63.234 63.100 0.192 0.000 0.768 725 P CB 0.352 32.115 31.700 0.104 0.000 0.838 726 W N 6.852 128.070 121.300 -0.136 0.000 2.538 726 W HA 0.216 4.875 4.660 -0.001 0.000 0.291 726 W C -2.018 174.386 176.519 -0.193 0.000 1.020 726 W CA -2.112 55.031 57.345 -0.336 0.000 1.375 726 W CB 1.742 30.586 29.460 -1.028 0.000 1.247 726 W HN 0.401 nan 8.180 nan 0.000 0.377 727 P HA 0.134 nan 4.420 nan 0.000 0.221 727 P C 0.573 177.432 177.300 -0.734 0.000 1.150 727 P CA 1.286 64.082 63.100 -0.506 0.000 0.800 727 P CB 0.799 32.301 31.700 -0.330 0.000 0.787 728 G N -0.951 106.979 108.800 -1.451 0.000 2.335 728 G HA2 0.351 4.311 3.960 -0.001 0.000 0.592 728 G HA3 0.351 4.311 3.960 -0.001 0.000 0.592 728 G C -1.070 173.306 174.900 -0.873 0.000 1.442 728 G CA -0.480 43.925 45.100 -1.157 0.000 0.976 728 G HN 0.288 nan 8.290 nan 0.000 0.652 729 A N -0.138 122.494 122.820 -0.314 0.000 2.304 729 A HA 0.691 5.011 4.320 -0.001 0.000 0.271 729 A C 0.619 178.170 177.584 -0.055 0.000 1.091 729 A CA 0.483 52.490 52.037 -0.051 0.000 0.812 729 A CB 0.834 19.857 19.000 0.038 0.000 1.056 729 A HN 1.800 nan 8.150 nan 0.000 0.489 730 Y N 0.435 120.599 120.300 -0.227 0.000 2.479 730 Y HA 0.432 4.981 4.550 -0.001 0.000 0.283 730 Y C 1.006 176.709 175.900 -0.328 0.000 1.109 730 Y CA 0.975 58.965 58.100 -0.184 0.000 1.239 730 Y CB 0.221 38.584 38.460 -0.161 0.000 1.108 730 Y HN 0.919 nan 8.280 nan 0.000 0.548 731 G N -0.137 108.267 108.800 -0.660 0.000 2.489 731 G HA2 0.429 4.389 3.960 -0.001 0.000 0.305 731 G HA3 0.429 4.389 3.960 -0.001 0.000 0.305 731 G C -2.595 171.935 174.900 -0.617 0.000 1.311 731 G CA -0.529 44.094 45.100 -0.794 0.000 0.813 731 G HN 0.138 nan 8.290 nan 0.000 0.480 732 L N 0.019 121.097 121.223 -0.242 0.000 2.388 732 L HA 0.924 5.264 4.340 -0.001 0.000 0.264 732 L C -0.430 176.560 176.870 0.200 0.000 0.998 732 L CA -0.624 54.213 54.840 -0.005 0.000 0.817 732 L CB 2.287 44.382 42.059 0.059 0.000 1.338 732 L HN 0.886 nan 8.230 nan 0.000 0.414 733 S N 2.924 118.756 115.700 0.220 0.000 2.572 733 S HA 0.911 5.381 4.470 -0.001 0.000 0.274 733 S C -1.343 173.361 174.600 0.175 0.000 1.150 733 S CA -0.017 58.331 58.200 0.246 0.000 0.944 733 S CB 1.288 64.681 63.200 0.323 0.000 1.071 733 S HN 1.128 nan 8.310 nan 0.000 0.479 734 A N 3.569 126.458 122.820 0.115 0.000 2.318 734 A HA 0.801 5.120 4.320 -0.001 0.000 0.324 734 A C -0.945 176.594 177.584 -0.074 0.000 1.170 734 A CA -0.596 51.461 52.037 0.032 0.000 0.810 734 A CB 1.016 20.035 19.000 0.031 0.000 1.198 734 A HN 0.673 nan 8.150 nan 0.000 0.484 735 Q N 0.548 120.204 119.800 -0.241 0.000 2.293 735 Q HA 0.571 4.910 4.340 -0.001 0.000 0.261 735 Q C -1.110 174.651 176.000 -0.398 0.000 0.960 735 Q CA -0.367 55.157 55.803 -0.465 0.000 0.882 735 Q CB 1.929 29.948 28.738 -1.199 0.000 1.275 735 Q HN 0.593 nan 8.270 nan 0.000 0.445 736 L N 3.240 124.322 121.223 -0.236 0.000 2.356 736 L HA 0.486 4.826 4.340 -0.001 0.000 0.264 736 L C -1.611 175.147 176.870 -0.187 0.000 1.029 736 L CA -0.243 54.476 54.840 -0.202 0.000 0.897 736 L CB 0.254 42.213 42.059 -0.167 0.000 1.256 736 L HN 0.579 nan 8.230 nan 0.000 0.444 737 W N 2.549 123.764 121.300 -0.141 0.000 2.170 737 W HA 0.272 4.931 4.660 -0.001 0.000 0.336 737 W C 1.386 177.820 176.519 -0.142 0.000 1.283 737 W CA -0.079 57.182 57.345 -0.141 0.000 1.224 737 W CB 1.081 30.381 29.460 -0.267 0.000 1.132 737 W HN 0.472 nan 8.180 nan 0.000 0.571 738 S N 0.818 116.582 115.700 0.108 0.000 2.663 738 S HA 0.032 4.502 4.470 -0.001 0.000 0.243 738 S C 1.193 175.688 174.600 -0.175 0.000 1.009 738 S CA -0.219 57.997 58.200 0.027 0.000 0.988 738 S CB -0.222 63.079 63.200 0.168 0.000 0.896 738 S HN 0.494 nan 8.310 nan 0.000 0.502 739 E N 1.193 121.166 120.200 -0.378 0.000 2.065 739 E HA -0.146 4.203 4.350 -0.001 0.000 0.201 739 E C 1.823 178.178 176.600 -0.408 0.000 1.016 739 E CA 2.202 58.166 56.400 -0.727 0.000 0.818 739 E CB -0.159 29.145 29.700 -0.660 0.000 0.749 739 E HN 0.628 nan 8.360 nan 0.000 0.453 740 T N -2.436 112.006 114.554 -0.186 0.000 3.145 740 T HA 0.180 4.529 4.350 -0.001 0.000 0.255 740 T C 0.244 174.970 174.700 0.044 0.000 1.039 740 T CA -0.302 61.811 62.100 0.021 0.000 0.928 740 T CB 0.241 69.197 68.868 0.147 0.000 1.029 740 T HN -0.177 nan 8.240 nan 0.000 0.554 741 Q N 1.412 121.231 119.800 0.032 0.000 2.810 741 Q HA 0.439 4.778 4.340 -0.001 0.000 0.236 741 Q C 1.167 177.272 176.000 0.175 0.000 1.278 741 Q CA -0.150 55.724 55.803 0.117 0.000 1.065 741 Q CB 0.489 29.300 28.738 0.121 0.000 1.364 741 Q HN 0.373 nan 8.270 nan 0.000 0.570 742 R N -0.345 120.221 120.500 0.110 0.000 2.189 742 R HA 0.012 4.351 4.340 -0.001 0.000 0.218 742 R C 0.703 177.077 176.300 0.123 0.000 1.074 742 R CA 1.178 57.321 56.100 0.072 0.000 0.991 742 R CB 0.314 30.640 30.300 0.043 0.000 0.883 742 R HN 0.522 nan 8.270 nan 0.000 0.457 743 T N -3.204 111.452 114.554 0.170 0.000 2.926 743 T HA 0.213 4.562 4.350 -0.001 0.000 0.289 743 T C 0.231 175.083 174.700 0.254 0.000 1.054 743 T CA -1.040 61.169 62.100 0.180 0.000 1.015 743 T CB 2.034 70.976 68.868 0.123 0.000 1.167 743 T HN -0.241 nan 8.240 nan 0.000 0.526 744 D N 0.815 121.348 120.400 0.220 0.000 2.149 744 D HA 0.079 4.718 4.640 -0.001 0.000 0.201 744 D C -0.878 175.490 176.300 0.112 0.000 0.972 744 D CA 0.794 54.912 54.000 0.197 0.000 0.835 744 D CB -1.533 39.354 40.800 0.145 0.000 0.966 744 D HN 0.438 nan 8.370 nan 0.000 0.476 745 P HA -0.096 nan 4.420 nan 0.000 0.217 745 P C 1.351 178.724 177.300 0.122 0.000 1.150 745 P CA 1.319 64.478 63.100 0.097 0.000 0.832 745 P CB 0.032 31.772 31.700 0.068 0.000 0.787 746 Q N -1.314 118.548 119.800 0.103 0.000 2.167 746 Q HA -0.109 4.230 4.340 -0.001 0.000 0.202 746 Q C 2.197 178.278 176.000 0.136 0.000 0.970 746 Q CA 1.121 56.981 55.803 0.094 0.000 0.855 746 Q CB -0.569 28.207 28.738 0.064 0.000 0.911 746 Q HN 0.280 nan 8.270 nan 0.000 0.438 747 M N 0.782 120.423 119.600 0.068 0.000 2.117 747 M HA -0.226 4.254 4.480 -0.001 0.000 0.262 747 M C 1.343 177.671 176.300 0.047 0.000 1.065 747 M CA 1.764 57.029 55.300 -0.059 0.000 1.114 747 M CB 0.051 32.407 32.600 -0.406 0.000 1.361 747 M HN 0.100 nan 8.290 nan 0.000 0.408 748 E N -0.679 119.603 120.200 0.135 0.000 2.106 748 E HA -0.228 4.122 4.350 -0.001 0.000 0.192 748 E C 1.797 178.606 176.600 0.349 0.000 0.984 748 E CA 1.491 58.064 56.400 0.288 0.000 0.806 748 E CB -0.381 29.486 29.700 0.279 0.000 0.750 748 E HN 0.675 nan 8.360 nan 0.000 0.458 749 Y N 0.995 121.387 120.300 0.153 0.000 2.181 749 Y HA -0.243 4.306 4.550 -0.001 0.000 0.288 749 Y C 2.051 178.083 175.900 0.221 0.000 1.146 749 Y CA 1.515 59.698 58.100 0.139 0.000 1.164 749 Y CB 0.045 38.547 38.460 0.069 0.000 0.982 749 Y HN -0.021 nan 8.280 nan 0.000 0.515 750 M N -0.558 119.308 119.600 0.443 0.000 2.254 750 M HA -0.096 4.384 4.480 -0.001 0.000 0.265 750 M C 2.186 178.583 176.300 0.162 0.000 1.066 750 M CA 1.321 56.851 55.300 0.383 0.000 1.123 750 M CB -0.835 31.923 32.600 0.263 0.000 1.388 750 M HN 0.384 nan 8.290 nan 0.000 0.425 751 I N -1.339 119.228 120.570 -0.006 0.000 2.400 751 I HA -0.110 4.060 4.170 -0.001 0.000 0.248 751 I C 0.089 175.995 176.117 -0.352 0.000 1.109 751 I CA 0.542 61.651 61.300 -0.318 0.000 1.425 751 I CB 0.085 37.682 38.000 -0.673 0.000 1.094 751 I HN -0.033 nan 8.210 nan 0.000 0.425 752 F N 1.181 121.231 119.950 0.166 0.000 2.480 752 F HA 0.348 4.875 4.527 -0.001 0.000 0.329 752 F C -1.836 174.086 175.800 0.204 0.000 1.091 752 F CA -2.459 55.633 58.000 0.154 0.000 0.972 752 F CB 0.616 39.701 39.000 0.141 0.000 1.150 752 F HN -0.212 nan 8.300 nan 0.000 0.467 753 P HA 0.059 nan 4.420 nan 0.000 0.268 753 P C 0.920 178.370 177.300 0.249 0.000 1.329 753 P CA 0.163 63.430 63.100 0.279 0.000 0.899 753 P CB 0.021 31.766 31.700 0.074 0.000 1.378 754 R N 0.173 120.830 120.500 0.261 0.000 2.193 754 R HA -0.001 4.338 4.340 -0.001 0.000 0.229 754 R C 1.862 178.217 176.300 0.091 0.000 1.110 754 R CA 1.318 57.508 56.100 0.150 0.000 0.988 754 R CB -1.527 28.752 30.300 -0.035 0.000 0.871 754 R HN -0.030 nan 8.270 nan 0.000 0.458 755 A N 1.658 124.484 122.820 0.010 0.000 2.024 755 A HA -0.112 4.208 4.320 -0.001 0.000 0.220 755 A C 2.053 179.687 177.584 0.084 0.000 1.164 755 A CA 1.117 53.150 52.037 -0.008 0.000 0.643 755 A CB -0.308 18.584 19.000 -0.180 0.000 0.806 755 A HN 0.259 nan 8.150 nan 0.000 0.451 756 L N -0.412 120.862 121.223 0.085 0.000 2.131 756 L HA -0.101 4.239 4.340 -0.001 0.000 0.210 756 L C 2.735 179.793 176.870 0.313 0.000 1.092 756 L CA 1.930 56.777 54.840 0.012 0.000 0.759 756 L CB -0.614 41.332 42.059 -0.188 0.000 0.903 756 L HN 0.287 nan 8.230 nan 0.000 0.435 757 S N -1.182 114.723 115.700 0.342 0.000 2.368 757 S HA -0.122 4.347 4.470 -0.001 0.000 0.224 757 S C 2.095 176.799 174.600 0.173 0.000 1.029 757 S CA 1.116 59.492 58.200 0.293 0.000 0.988 757 S CB -0.213 63.187 63.200 0.333 0.000 0.838 757 S HN 0.196 nan 8.310 nan 0.000 0.462 758 V N 2.270 122.285 119.914 0.168 0.000 2.255 758 V HA -0.263 3.856 4.120 -0.001 0.000 0.247 758 V C 2.684 178.884 176.094 0.177 0.000 1.051 758 V CA 1.847 64.243 62.300 0.159 0.000 1.018 758 V CB -1.306 30.594 31.823 0.127 0.000 0.641 758 V HN 0.544 nan 8.190 nan 0.000 0.445 759 A N 0.061 122.993 122.820 0.186 0.000 1.892 759 A HA -0.322 3.997 4.320 -0.001 0.000 0.218 759 A C 2.200 179.931 177.584 0.244 0.000 1.188 759 A CA 2.397 54.567 52.037 0.223 0.000 0.631 759 A CB -0.597 18.546 19.000 0.237 0.000 0.822 759 A HN 0.641 nan 8.150 nan 0.000 0.447 760 E N -0.166 120.163 120.200 0.215 0.000 2.038 760 E HA -0.239 4.110 4.350 -0.001 0.000 0.195 760 E C 2.160 178.832 176.600 0.120 0.000 1.000 760 E CA 1.899 58.400 56.400 0.168 0.000 0.803 760 E CB -0.252 29.404 29.700 -0.073 0.000 0.750 760 E HN 0.419 nan 8.360 nan 0.000 0.448 761 R N -0.098 120.420 120.500 0.030 0.000 2.115 761 R HA 0.075 4.414 4.340 -0.001 0.000 0.230 761 R C 2.399 178.763 176.300 0.107 0.000 1.111 761 R CA 1.512 57.608 56.100 -0.006 0.000 0.976 761 R CB -0.875 29.421 30.300 -0.007 0.000 0.870 761 R HN 0.197 nan 8.270 nan 0.000 0.445 762 S N -0.795 115.032 115.700 0.212 0.000 2.428 762 S HA -0.069 4.401 4.470 -0.001 0.000 0.230 762 S C 1.203 175.970 174.600 0.279 0.000 1.014 762 S CA 0.884 59.272 58.200 0.314 0.000 0.957 762 S CB -0.264 63.109 63.200 0.289 0.000 0.784 762 S HN 0.603 nan 8.310 nan 0.000 0.499 763 W N 1.029 122.365 121.300 0.060 0.000 2.580 763 W HA 0.192 4.851 4.660 -0.001 0.000 0.287 763 W C 0.432 176.928 176.519 -0.038 0.000 1.175 763 W CA 0.687 58.038 57.345 0.009 0.000 1.409 763 W CB -0.394 29.085 29.460 0.033 0.000 1.101 763 W HN 0.313 nan 8.180 nan 0.000 0.558 764 H N 0.965 120.095 119.070 0.101 0.000 2.476 764 H HA 0.312 4.867 4.556 -0.001 0.000 0.328 764 H C -0.199 174.986 175.328 -0.238 0.000 1.073 764 H CA -0.457 55.565 56.048 -0.043 0.000 1.229 764 H CB 0.885 30.709 29.762 0.104 0.000 1.432 764 H HN -0.292 nan 8.280 nan 0.000 0.477 765 R N 4.320 124.336 120.500 -0.806 0.000 2.210 765 R HA 0.436 4.775 4.340 -0.001 0.000 0.338 765 R C -0.817 174.840 176.300 -1.072 0.000 1.062 765 R CA -0.159 55.459 56.100 -0.802 0.000 0.902 765 R CB -0.212 29.736 30.300 -0.586 0.000 1.050 765 R HN 0.766 nan 8.270 nan 0.000 0.461 766 A N 2.841 125.044 122.820 -1.030 0.000 2.313 766 A HA 0.383 4.703 4.320 -0.001 0.000 0.261 766 A C 1.333 178.501 177.584 -0.694 0.000 1.090 766 A CA 0.104 51.590 52.037 -0.918 0.000 0.807 766 A CB 0.338 18.504 19.000 -1.390 0.000 1.055 766 A HN 0.862 nan 8.150 nan 0.000 0.492 767 G N -0.258 108.313 108.800 -0.380 0.000 2.443 767 G HA2 -0.145 3.815 3.960 -0.001 0.000 0.219 767 G HA3 -0.145 3.815 3.960 -0.001 0.000 0.219 767 G C 1.100 175.960 174.900 -0.067 0.000 1.131 767 G CA 0.980 45.993 45.100 -0.146 0.000 0.775 767 G HN 0.928 nan 8.290 nan 0.000 0.547 768 W N 0.763 122.080 121.300 0.028 0.000 3.047 768 W HA 0.328 4.987 4.660 -0.001 0.000 0.250 768 W C -0.256 176.267 176.519 0.007 0.000 1.314 768 W CA -0.399 56.971 57.345 0.042 0.000 1.540 768 W CB -0.204 29.302 29.460 0.076 0.000 1.127 768 W HN 0.169 nan 8.180 nan 0.000 0.679 769 E N 2.810 122.792 120.200 -0.365 0.000 1.996 769 E HA 0.085 4.435 4.350 -0.001 0.000 0.280 769 E C 0.089 176.612 176.600 -0.128 0.000 1.092 769 E CA -0.029 56.192 56.400 -0.298 0.000 0.862 769 E CB 0.510 29.884 29.700 -0.542 0.000 1.066 769 E HN 0.190 nan 8.360 nan 0.000 0.396 770 Q N 1.984 121.786 119.800 0.004 0.000 2.368 770 Q HA 0.090 4.430 4.340 -0.001 0.000 0.237 770 Q C -0.214 175.802 176.000 0.027 0.000 0.987 770 Q CA -0.507 55.317 55.803 0.035 0.000 0.896 770 Q CB 0.752 29.561 28.738 0.119 0.000 1.241 770 Q HN 0.395 nan 8.270 nan 0.000 0.485 771 D N 0.905 121.324 120.400 0.032 0.000 2.443 771 D HA -0.063 4.577 4.640 -0.001 0.000 0.239 771 D C -0.557 175.814 176.300 0.118 0.000 1.136 771 D CA 0.313 54.353 54.000 0.068 0.000 0.879 771 D CB 0.303 41.131 40.800 0.047 0.000 1.195 771 D HN 0.366 nan 8.370 nan 0.000 0.443 772 Y N 2.232 122.584 120.300 0.087 0.000 2.620 772 Y HA 0.009 4.558 4.550 -0.001 0.000 0.330 772 Y C 0.211 176.162 175.900 0.085 0.000 1.186 772 Y CA 0.438 58.609 58.100 0.119 0.000 1.467 772 Y CB 0.395 39.028 38.460 0.287 0.000 1.262 772 Y HN 0.147 nan 8.280 nan 0.000 0.550 773 R N 5.362 125.468 120.500 -0.656 0.000 2.422 773 R HA 0.570 4.909 4.340 -0.001 0.000 0.307 773 R C -0.594 175.286 176.300 -0.701 0.000 1.004 773 R CA -0.813 54.982 56.100 -0.509 0.000 0.882 773 R CB 1.208 31.314 30.300 -0.325 0.000 1.164 773 R HN 0.849 nan 8.270 nan 0.000 0.489 774 A N 1.364 123.882 122.820 -0.502 0.000 2.531 774 A HA 0.375 4.694 4.320 -0.001 0.000 0.236 774 A C 1.405 178.892 177.584 -0.161 0.000 1.062 774 A CA 1.166 53.070 52.037 -0.221 0.000 0.760 774 A CB -0.152 18.882 19.000 0.056 0.000 0.995 774 A HN 1.002 nan 8.150 nan 0.000 0.501 775 G N 1.151 109.894 108.800 -0.094 0.000 2.267 775 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.257 775 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.257 775 G C 0.630 175.453 174.900 -0.128 0.000 0.998 775 G CA 0.727 45.785 45.100 -0.071 0.000 0.620 775 G HN 1.079 nan 8.290 nan 0.000 0.529 776 R N 1.563 121.917 120.500 -0.243 0.000 2.522 776 R HA 0.399 4.738 4.340 -0.001 0.000 0.284 776 R C -0.060 176.077 176.300 -0.271 0.000 1.032 776 R CA 0.338 56.201 56.100 -0.395 0.000 1.049 776 R CB 0.223 30.121 30.300 -0.671 0.000 0.956 776 R HN 0.419 nan 8.270 nan 0.000 0.422 777 E N 4.543 124.613 120.200 -0.218 0.000 2.145 777 E HA 0.118 4.467 4.350 -0.001 0.000 0.262 777 E C -1.453 175.134 176.600 -0.022 0.000 0.883 777 E CA -0.675 55.685 56.400 -0.067 0.000 0.748 777 E CB 0.652 30.350 29.700 -0.003 0.000 1.140 777 E HN 0.521 nan 8.360 nan 0.000 0.417 778 Y N 3.298 123.564 120.300 -0.055 0.000 2.336 778 Y HA 0.251 4.800 4.550 -0.001 0.000 0.335 778 Y C 0.106 175.941 175.900 -0.107 0.000 1.046 778 Y CA -0.239 57.853 58.100 -0.015 0.000 1.198 778 Y CB 1.085 39.495 38.460 -0.084 0.000 1.182 778 Y HN 0.220 nan 8.280 nan 0.000 0.502 779 K N 2.877 123.289 120.400 0.019 0.000 2.507 779 K HA 0.339 4.659 4.320 -0.001 0.000 0.253 779 K C 0.096 176.589 176.600 -0.178 0.000 0.969 779 K CA -0.752 55.486 56.287 -0.082 0.000 0.908 779 K CB 1.561 34.021 32.500 -0.067 0.000 1.127 779 K HN 0.888 nan 8.250 nan 0.000 0.437 780 G N 0.966 109.631 108.800 -0.225 0.000 2.138 780 G HA2 0.202 4.161 3.960 -0.001 0.000 0.256 780 G HA3 0.202 4.161 3.960 -0.001 0.000 0.256 780 G C 1.052 175.567 174.900 -0.641 0.000 1.141 780 G CA 0.762 45.694 45.100 -0.280 0.000 0.967 780 G HN 0.875 nan 8.290 nan 0.000 0.435 781 G N 1.474 109.838 108.800 -0.726 0.000 2.162 781 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.260 781 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.260 781 G C 0.741 175.383 174.900 -0.431 0.000 0.976 781 G CA 1.041 45.677 45.100 -0.772 0.000 0.655 781 G HN 0.843 nan 8.290 nan 0.000 0.533 782 E N -0.642 119.331 120.200 -0.378 0.000 2.713 782 E HA 0.120 4.469 4.350 -0.001 0.000 0.201 782 E C 1.199 177.615 176.600 -0.307 0.000 0.935 782 E CA 0.810 57.062 56.400 -0.246 0.000 1.273 782 E CB 0.296 29.906 29.700 -0.149 0.000 1.221 782 E HN 0.559 nan 8.360 nan 0.000 0.547 783 T N -0.759 113.598 114.554 -0.328 0.000 2.909 783 T HA 0.300 4.650 4.350 -0.001 0.000 0.289 783 T C 0.038 174.442 174.700 -0.494 0.000 1.005 783 T CA -0.499 61.399 62.100 -0.337 0.000 1.084 783 T CB 0.998 69.738 68.868 -0.214 0.000 0.975 783 T HN 0.160 nan 8.240 nan 0.000 0.509 784 H N 1.688 120.570 119.070 -0.313 0.000 2.500 784 H HA 0.247 4.802 4.556 -0.001 0.000 0.243 784 H C -0.124 175.129 175.328 -0.125 0.000 1.318 784 H CA -0.399 55.558 56.048 -0.152 0.000 1.077 784 H CB -0.152 29.538 29.762 -0.120 0.000 1.748 784 H HN 0.558 nan 8.280 nan 0.000 0.556 785 F N 0.604 120.592 119.950 0.063 0.000 2.206 785 F HA -0.086 4.440 4.527 -0.001 0.000 0.298 785 F C 1.497 177.390 175.800 0.154 0.000 1.090 785 F CA 0.474 58.506 58.000 0.053 0.000 1.323 785 F CB 0.131 39.070 39.000 -0.101 0.000 1.028 785 F HN 0.008 nan 8.300 nan 0.000 0.492 786 V N 1.318 121.470 119.914 0.396 0.000 2.555 786 V HA -0.042 4.078 4.120 -0.001 0.000 0.286 786 V C 0.154 176.377 176.094 0.215 0.000 1.044 786 V CA -0.629 61.853 62.300 0.303 0.000 1.026 786 V CB 0.824 32.804 31.823 0.262 0.000 0.981 786 V HN 0.024 nan 8.190 nan 0.000 0.480 787 D N 3.881 124.414 120.400 0.222 0.000 2.541 787 D HA -0.008 4.631 4.640 -0.001 0.000 0.231 787 D C 1.577 177.961 176.300 0.140 0.000 1.163 787 D CA 0.420 54.530 54.000 0.184 0.000 1.077 787 D CB 0.582 41.512 40.800 0.217 0.000 1.110 787 D HN 0.800 nan 8.370 nan 0.000 0.499 788 T N 0.010 114.618 114.554 0.090 0.000 2.915 788 T HA -0.199 4.150 4.350 -0.001 0.000 0.269 788 T C 1.750 176.453 174.700 0.004 0.000 1.071 788 T CA 0.900 63.009 62.100 0.015 0.000 1.132 788 T CB -0.025 68.857 68.868 0.023 0.000 0.878 788 T HN 0.241 nan 8.240 nan 0.000 0.479 789 Q N 1.092 120.922 119.800 0.050 0.000 2.084 789 Q HA 0.131 4.470 4.340 -0.001 0.000 0.202 789 Q C 2.712 178.752 176.000 0.067 0.000 0.978 789 Q CA 1.647 57.482 55.803 0.053 0.000 0.844 789 Q CB -0.529 28.247 28.738 0.062 0.000 0.898 789 Q HN 0.724 nan 8.270 nan 0.000 0.426 790 A N 0.371 123.256 122.820 0.108 0.000 1.930 790 A HA -0.157 4.163 4.320 -0.001 0.000 0.217 790 A C 1.971 179.619 177.584 0.106 0.000 1.175 790 A CA 1.225 53.374 52.037 0.187 0.000 0.627 790 A CB -0.636 18.546 19.000 0.304 0.000 0.815 790 A HN 0.416 nan 8.150 nan 0.000 0.443 791 L N -0.040 121.061 121.223 -0.203 0.000 2.017 791 L HA -0.133 4.207 4.340 -0.001 0.000 0.208 791 L C 2.117 178.840 176.870 -0.244 0.000 1.073 791 L CA 2.755 57.102 54.840 -0.822 0.000 0.745 791 L CB -0.791 40.664 42.059 -1.007 0.000 0.894 791 L HN 0.458 nan 8.230 nan 0.000 0.432 792 E N 0.181 120.329 120.200 -0.086 0.000 2.153 792 E HA -0.289 4.061 4.350 -0.001 0.000 0.194 792 E C 2.174 178.828 176.600 0.089 0.000 0.988 792 E CA 1.405 57.828 56.400 0.039 0.000 0.811 792 E CB -0.056 29.665 29.700 0.035 0.000 0.746 792 E HN 0.671 nan 8.360 nan 0.000 0.466 793 K N 0.489 120.942 120.400 0.089 0.000 2.062 793 K HA -0.166 4.154 4.320 -0.001 0.000 0.205 793 K C 1.915 178.598 176.600 0.138 0.000 1.051 793 K CA 1.564 57.910 56.287 0.098 0.000 0.941 793 K CB -0.160 32.403 32.500 0.105 0.000 0.719 793 K HN -0.082 nan 8.250 nan 0.000 0.440 794 D N 0.488 121.040 120.400 0.253 0.000 2.104 794 D HA -0.233 4.406 4.640 -0.001 0.000 0.194 794 D C 1.572 178.042 176.300 0.284 0.000 0.994 794 D CA 1.149 55.406 54.000 0.428 0.000 0.830 794 D CB -0.319 40.954 40.800 0.789 0.000 0.959 794 D HN 0.474 nan 8.370 nan 0.000 0.452 795 W N 0.801 122.058 121.300 -0.071 0.000 2.358 795 W HA -0.214 4.446 4.660 -0.001 0.000 0.303 795 W C 1.927 178.301 176.519 -0.241 0.000 1.208 795 W CA 0.643 57.651 57.345 -0.562 0.000 1.274 795 W CB -0.557 28.597 29.460 -0.511 0.000 1.138 795 W HN 0.099 nan 8.180 nan 0.000 0.515 796 L N 2.065 123.114 121.223 -0.291 0.000 2.013 796 L HA -0.219 4.120 4.340 -0.001 0.000 0.212 796 L C 2.672 179.336 176.870 -0.344 0.000 1.073 796 L CA 2.197 56.841 54.840 -0.326 0.000 0.753 796 L CB -1.039 40.962 42.059 -0.098 0.000 0.890 796 L HN -0.108 nan 8.230 nan 0.000 0.432 797 R N -1.706 118.682 120.500 -0.186 0.000 2.073 797 R HA -0.193 4.147 4.340 -0.001 0.000 0.234 797 R C 2.276 178.457 176.300 -0.200 0.000 1.134 797 R CA 1.894 57.919 56.100 -0.126 0.000 0.952 797 R CB -0.695 29.608 30.300 0.004 0.000 0.850 797 R HN 0.388 nan 8.270 nan 0.000 0.433 798 F N 1.239 120.951 119.950 -0.397 0.000 2.095 798 F HA -0.218 4.309 4.527 -0.001 0.000 0.298 798 F C 2.328 177.736 175.800 -0.653 0.000 1.104 798 F CA 1.567 59.314 58.000 -0.422 0.000 1.232 798 F CB -0.395 38.401 39.000 -0.339 0.000 0.987 798 F HN 0.026 nan 8.300 nan 0.000 0.475 799 A N 0.200 122.416 122.820 -1.006 0.000 1.917 799 A HA -0.262 4.058 4.320 -0.001 0.000 0.219 799 A C 2.146 179.444 177.584 -0.476 0.000 1.182 799 A CA 2.071 53.572 52.037 -0.894 0.000 0.633 799 A CB -1.056 17.326 19.000 -1.029 0.000 0.819 799 A HN 0.561 nan 8.150 nan 0.000 0.448 800 N N -0.375 118.085 118.700 -0.399 0.000 2.244 800 N HA -0.043 4.696 4.740 -0.001 0.000 0.183 800 N C 1.708 177.066 175.510 -0.252 0.000 1.016 800 N CA 1.249 54.145 53.050 -0.257 0.000 0.866 800 N CB -0.196 38.173 38.487 -0.197 0.000 0.980 800 N HN 0.558 nan 8.380 nan 0.000 0.430 801 I N 0.689 121.065 120.570 -0.324 0.000 2.252 801 I HA -0.241 3.928 4.170 -0.001 0.000 0.245 801 I C 1.905 177.825 176.117 -0.328 0.000 1.102 801 I CA 0.669 61.781 61.300 -0.313 0.000 1.385 801 I CB -0.079 37.697 38.000 -0.373 0.000 1.064 801 I HN 0.023 nan 8.210 nan 0.000 0.414 802 L N 0.786 121.753 121.223 -0.428 0.000 1.989 802 L HA -0.159 4.180 4.340 -0.001 0.000 0.211 802 L C 2.608 179.344 176.870 -0.223 0.000 1.071 802 L CA 2.323 56.964 54.840 -0.333 0.000 0.749 802 L CB -1.544 40.330 42.059 -0.309 0.000 0.890 802 L HN 0.236 nan 8.230 nan 0.000 0.431 803 G N -1.781 106.906 108.800 -0.188 0.000 2.421 803 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.216 803 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.216 803 G C 1.471 176.308 174.900 -0.106 0.000 1.171 803 G CA 0.493 45.520 45.100 -0.122 0.000 0.775 803 G HN 0.485 nan 8.290 nan 0.000 0.543 804 Q N -1.164 118.564 119.800 -0.120 0.000 2.392 804 Q HA 0.270 4.609 4.340 -0.001 0.000 0.203 804 Q C 2.100 178.039 176.000 -0.102 0.000 0.917 804 Q CA 0.165 55.911 55.803 -0.096 0.000 0.939 804 Q CB 0.570 29.252 28.738 -0.093 0.000 1.063 804 Q HN 0.474 nan 8.270 nan 0.000 0.516 805 R N -0.785 119.639 120.500 -0.127 0.000 3.578 805 R HA 0.021 4.360 4.340 -0.001 0.000 0.131 805 R C 1.173 177.397 176.300 -0.125 0.000 0.722 805 R CA 0.061 56.090 56.100 -0.119 0.000 1.328 805 R CB 0.576 30.802 30.300 -0.123 0.000 1.650 805 R HN -0.055 nan 8.270 nan 0.000 0.485 806 E N 1.239 121.348 120.200 -0.151 0.000 2.107 806 E HA -0.101 4.249 4.350 -0.001 0.000 0.191 806 E C 1.873 178.369 176.600 -0.174 0.000 0.982 806 E CA 0.828 57.151 56.400 -0.129 0.000 0.809 806 E CB 0.066 29.685 29.700 -0.134 0.000 0.756 806 E HN 0.178 nan 8.360 nan 0.000 0.459 807 L N 1.042 122.122 121.223 -0.237 0.000 2.127 807 L HA -0.127 4.212 4.340 -0.001 0.000 0.211 807 L C 2.304 179.050 176.870 -0.208 0.000 1.089 807 L CA 1.589 56.216 54.840 -0.355 0.000 0.757 807 L CB -1.026 40.841 42.059 -0.320 0.000 0.899 807 L HN 0.041 nan 8.230 nan 0.000 0.434 808 A N -0.901 121.849 122.820 -0.118 0.000 1.972 808 A HA -0.223 4.096 4.320 -0.001 0.000 0.219 808 A C 2.311 179.851 177.584 -0.073 0.000 1.169 808 A CA 1.612 53.609 52.037 -0.067 0.000 0.635 808 A CB -0.379 18.583 19.000 -0.063 0.000 0.810 808 A HN 0.437 nan 8.150 nan 0.000 0.446 809 K N -0.293 120.047 120.400 -0.100 0.000 2.103 809 K HA 0.064 4.384 4.320 -0.001 0.000 0.204 809 K C 1.763 178.301 176.600 -0.103 0.000 1.052 809 K CA 1.044 57.272 56.287 -0.099 0.000 0.945 809 K CB -0.329 32.108 32.500 -0.106 0.000 0.722 809 K HN 0.459 nan 8.250 nan 0.000 0.443 810 L N 1.337 122.473 121.223 -0.144 0.000 2.046 810 L HA -0.216 4.123 4.340 -0.001 0.000 0.208 810 L C 1.825 178.696 176.870 0.002 0.000 1.077 810 L CA 1.121 55.863 54.840 -0.163 0.000 0.747 810 L CB -0.631 41.175 42.059 -0.422 0.000 0.896 810 L HN 0.170 nan 8.230 nan 0.000 0.432 811 D N 0.693 121.141 120.400 0.080 0.000 2.116 811 D HA -0.202 4.437 4.640 -0.001 0.000 0.193 811 D C 2.154 178.459 176.300 0.008 0.000 0.998 811 D CA 1.418 55.477 54.000 0.098 0.000 0.836 811 D CB -0.143 40.691 40.800 0.057 0.000 0.951 811 D HN 0.305 nan 8.370 nan 0.000 0.449 812 K N -0.043 120.341 120.400 -0.026 0.000 2.209 812 K HA -0.017 4.303 4.320 -0.001 0.000 0.204 812 K C 1.992 178.563 176.600 -0.049 0.000 1.048 812 K CA 1.085 57.347 56.287 -0.042 0.000 0.940 812 K CB -0.126 32.340 32.500 -0.057 0.000 0.729 812 K HN 0.112 nan 8.250 nan 0.000 0.451 813 G N 0.120 108.882 108.800 -0.064 0.000 2.920 813 G HA2 0.089 4.048 3.960 -0.001 0.000 0.208 813 G HA3 0.089 4.048 3.960 -0.001 0.000 0.208 813 G C 0.797 175.661 174.900 -0.060 0.000 1.159 813 G CA 0.277 45.332 45.100 -0.074 0.000 0.784 813 G HN 0.365 nan 8.290 nan 0.000 0.535 814 G N -0.646 108.130 108.800 -0.041 0.000 2.198 814 G HA2 -0.071 3.888 3.960 -0.001 0.000 0.257 814 G HA3 -0.071 3.888 3.960 -0.001 0.000 0.257 814 G C 0.273 175.158 174.900 -0.026 0.000 1.042 814 G CA 0.363 45.447 45.100 -0.028 0.000 0.791 814 G HN 1.490 nan 8.290 nan 0.000 0.502 815 V N -2.771 117.124 119.914 -0.031 0.000 2.472 815 V HA 0.871 4.990 4.120 -0.001 0.000 0.290 815 V C 0.766 176.902 176.094 0.068 0.000 1.037 815 V CA -0.358 61.935 62.300 -0.013 0.000 0.908 815 V CB 1.656 33.363 31.823 -0.193 0.000 0.985 815 V HN 1.596 nan 8.190 nan 0.000 0.454 816 A N 5.231 128.092 122.820 0.067 0.000 3.077 816 A HA 0.463 4.782 4.320 -0.001 0.000 0.255 816 A C 0.256 177.859 177.584 0.032 0.000 1.728 816 A CA -0.498 51.532 52.037 -0.011 0.000 1.383 816 A CB -1.446 17.568 19.000 0.024 0.000 1.097 816 A HN 1.234 nan 8.150 nan 0.000 0.634 817 Y N -0.755 119.583 120.300 0.063 0.000 2.385 817 Y HA 0.359 4.908 4.550 -0.001 0.000 0.346 817 Y C 0.647 176.510 175.900 -0.062 0.000 1.270 817 Y CA -1.032 57.107 58.100 0.065 0.000 1.472 817 Y CB 0.464 38.967 38.460 0.071 0.000 1.354 817 Y HN 0.479 nan 8.280 nan 0.000 0.611 818 R N 2.854 123.274 120.500 -0.134 0.000 2.389 818 R HA 0.393 4.732 4.340 -0.001 0.000 0.295 818 R C -1.495 174.687 176.300 -0.197 0.000 1.075 818 R CA -0.434 55.334 56.100 -0.553 0.000 1.005 818 R CB 0.229 29.650 30.300 -1.465 0.000 0.987 818 R HN 0.933 nan 8.270 nan 0.000 0.452 819 L N 7.547 128.667 121.223 -0.172 0.000 2.275 819 L HA 0.422 4.762 4.340 -0.001 0.000 0.288 819 L C -1.815 175.013 176.870 -0.071 0.000 1.046 819 L CA -2.200 52.608 54.840 -0.052 0.000 0.805 819 L CB 1.769 43.789 42.059 -0.065 0.000 1.193 819 L HN 0.612 nan 8.230 nan 0.000 0.426 820 P HA 0.067 nan 4.420 nan 0.000 0.271 820 P C -0.565 176.732 177.300 -0.004 0.000 1.218 820 P CA -0.256 62.827 63.100 -0.028 0.000 0.780 820 P CB 1.002 32.712 31.700 0.017 0.000 0.901 821 V N 4.896 124.812 119.914 0.002 0.000 2.649 821 V HA 0.174 4.293 4.120 -0.001 0.000 0.292 821 V C -1.838 174.264 176.094 0.014 0.000 1.055 821 V CA -1.496 60.812 62.300 0.014 0.000 1.023 821 V CB 0.305 32.140 31.823 0.020 0.000 0.992 821 V HN 0.575 nan 8.190 nan 0.000 0.480 822 P HA 0.249 nan 4.420 nan 0.000 0.272 822 P C 0.040 177.351 177.300 0.017 0.000 1.230 822 P CA 0.051 63.158 63.100 0.011 0.000 0.788 822 P CB 0.531 32.240 31.700 0.014 0.000 0.949 823 G N 0.246 109.048 108.800 0.004 0.000 2.400 823 G HA2 0.605 4.564 3.960 -0.001 0.000 0.301 823 G HA3 0.605 4.564 3.960 -0.001 0.000 0.301 823 G C -1.179 173.845 174.900 0.207 0.000 1.154 823 G CA -0.377 44.766 45.100 0.071 0.000 0.852 823 G HN 0.633 nan 8.290 nan 0.000 0.511 824 A N 2.088 125.055 122.820 0.244 0.000 2.589 824 A HA 0.907 5.227 4.320 -0.001 0.000 0.296 824 A C -0.418 177.153 177.584 -0.021 0.000 1.062 824 A CA -0.896 51.233 52.037 0.153 0.000 0.686 824 A CB 1.705 20.713 19.000 0.012 0.000 1.282 824 A HN 1.276 nan 8.150 nan 0.000 0.404 825 R N 0.049 120.418 120.500 -0.218 0.000 2.740 825 R HA 0.791 5.130 4.340 -0.001 0.000 0.273 825 R C -2.068 174.095 176.300 -0.227 0.000 0.998 825 R CA -0.784 55.136 56.100 -0.300 0.000 0.900 825 R CB 1.802 31.771 30.300 -0.551 0.000 1.223 825 R HN 0.411 nan 8.270 nan 0.000 0.466 826 V N 1.667 121.480 119.914 -0.168 0.000 2.313 826 V HA 0.660 4.779 4.120 -0.001 0.000 0.278 826 V C -0.425 175.599 176.094 -0.116 0.000 1.017 826 V CA -0.427 61.799 62.300 -0.125 0.000 0.823 826 V CB 1.021 32.791 31.823 -0.090 0.000 1.010 826 V HN 0.913 nan 8.190 nan 0.000 0.443 827 A N 3.460 126.215 122.820 -0.109 0.000 2.342 827 A HA 0.744 5.064 4.320 -0.001 0.000 0.323 827 A C 1.036 178.585 177.584 -0.058 0.000 1.125 827 A CA 0.020 52.006 52.037 -0.086 0.000 0.785 827 A CB 1.271 20.215 19.000 -0.093 0.000 1.221 827 A HN 1.881 nan 8.150 nan 0.000 0.463 828 G N 0.855 109.627 108.800 -0.047 0.000 2.233 828 G HA2 0.136 4.095 3.960 -0.001 0.000 0.270 828 G HA3 0.136 4.095 3.960 -0.001 0.000 0.270 828 G C 1.568 176.448 174.900 -0.034 0.000 1.011 828 G CA 1.272 46.351 45.100 -0.035 0.000 0.762 828 G HN 2.840 nan 8.290 nan 0.000 0.511 829 G N -1.708 107.067 108.800 -0.042 0.000 2.176 829 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.252 829 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.252 829 G C 0.071 174.944 174.900 -0.044 0.000 1.024 829 G CA 1.153 46.229 45.100 -0.040 0.000 0.755 829 G HN 1.106 nan 8.290 nan 0.000 0.507 830 K N -0.922 119.448 120.400 -0.049 0.000 2.464 830 K HA 0.584 4.903 4.320 -0.001 0.000 0.253 830 K C -0.563 176.002 176.600 -0.058 0.000 0.933 830 K CA -1.190 55.068 56.287 -0.049 0.000 0.801 830 K CB 2.221 34.705 32.500 -0.027 0.000 1.271 830 K HN 0.050 nan 8.250 nan 0.000 0.430 831 L N 2.316 123.495 121.223 -0.073 0.000 2.410 831 L HA 0.168 4.508 4.340 -0.001 0.000 0.273 831 L C -0.246 176.645 176.870 0.035 0.000 1.152 831 L CA 0.695 55.482 54.840 -0.087 0.000 0.855 831 L CB 0.495 42.430 42.059 -0.207 0.000 1.129 831 L HN 0.614 nan 8.230 nan 0.000 0.463 832 E N 3.373 123.552 120.200 -0.035 0.000 2.176 832 E HA 0.731 5.080 4.350 -0.001 0.000 0.267 832 E C -1.533 175.067 176.600 0.000 0.000 0.893 832 E CA -0.756 55.688 56.400 0.074 0.000 0.761 832 E CB 1.459 31.181 29.700 0.037 0.000 1.133 832 E HN 0.773 nan 8.360 nan 0.000 0.409 833 A N 3.888 126.625 122.820 -0.138 0.000 2.454 833 A HA 0.688 5.007 4.320 -0.001 0.000 0.302 833 A C -1.073 176.516 177.584 0.009 0.000 1.079 833 A CA -0.828 51.088 52.037 -0.201 0.000 0.731 833 A CB 1.357 19.887 19.000 -0.785 0.000 1.299 833 A HN 0.779 nan 8.150 nan 0.000 0.413 834 N N -0.362 118.301 118.700 -0.062 0.000 3.157 834 N HA 0.811 5.551 4.740 -0.001 0.000 0.291 834 N C -1.443 174.003 175.510 -0.107 0.000 1.515 834 N CA -0.591 52.374 53.050 -0.142 0.000 0.807 834 N CB 1.237 39.474 38.487 -0.416 0.000 1.672 834 N HN 0.731 nan 8.380 nan 0.000 0.592 835 I N -1.903 118.615 120.570 -0.088 0.000 2.842 835 I HA 0.582 4.751 4.170 -0.001 0.000 0.297 835 I C 0.376 176.485 176.117 -0.015 0.000 1.380 835 I CA -0.561 60.718 61.300 -0.035 0.000 1.018 835 I CB 2.059 40.060 38.000 0.002 0.000 1.311 835 I HN 0.823 nan 8.210 nan 0.000 0.439 836 A N 6.321 129.158 122.820 0.029 0.000 2.125 836 A HA 0.124 4.444 4.320 -0.001 0.000 0.219 836 A C 0.628 178.283 177.584 0.117 0.000 1.156 836 A CA 1.252 53.353 52.037 0.106 0.000 0.671 836 A CB -0.561 18.526 19.000 0.146 0.000 0.794 836 A HN 0.504 nan 8.150 nan 0.000 0.459 837 L N 0.224 121.471 121.223 0.040 0.000 2.470 837 L HA 0.285 4.625 4.340 -0.001 0.000 0.253 837 L C -2.863 173.973 176.870 -0.057 0.000 1.163 837 L CA -2.038 52.786 54.840 -0.026 0.000 0.932 837 L CB 1.593 43.649 42.059 -0.005 0.000 1.213 837 L HN -0.079 nan 8.230 nan 0.000 0.485 838 P HA 0.061 nan 4.420 nan 0.000 0.261 838 P C 0.989 178.249 177.300 -0.066 0.000 1.173 838 P CA 0.951 64.013 63.100 -0.063 0.000 0.760 838 P CB 0.878 32.529 31.700 -0.080 0.000 0.783 839 G N 1.963 110.744 108.800 -0.031 0.000 2.380 839 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.197 839 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.197 839 G C -0.093 174.802 174.900 -0.009 0.000 1.001 839 G CA -0.561 44.520 45.100 -0.030 0.000 0.668 839 G HN 0.455 nan 8.290 nan 0.000 0.483 840 L N 1.998 123.220 121.223 -0.001 0.000 2.426 840 L HA 0.530 4.869 4.340 -0.001 0.000 0.271 840 L C 1.515 178.416 176.870 0.052 0.000 1.169 840 L CA 0.059 54.911 54.840 0.020 0.000 0.836 840 L CB 0.861 42.936 42.059 0.026 0.000 1.112 840 L HN 0.263 nan 8.230 nan 0.000 0.465 841 G N 3.606 112.441 108.800 0.059 0.000 2.442 841 G HA2 0.458 4.418 3.960 -0.001 0.000 0.249 841 G HA3 0.458 4.418 3.960 -0.001 0.000 0.249 841 G C -0.555 174.421 174.900 0.126 0.000 1.263 841 G CA -0.402 44.755 45.100 0.095 0.000 0.846 841 G HN 0.474 nan 8.290 nan 0.000 0.555 842 I N 1.175 121.863 120.570 0.197 0.000 2.465 842 I HA 0.318 4.487 4.170 -0.001 0.000 0.291 842 I C -0.089 176.205 176.117 0.295 0.000 1.014 842 I CA -0.469 60.963 61.300 0.219 0.000 1.093 842 I CB 2.150 40.287 38.000 0.227 0.000 1.267 842 I HN 0.513 nan 8.210 nan 0.000 0.431 843 E N 5.342 125.704 120.200 0.269 0.000 2.281 843 E HA 0.608 4.958 4.350 -0.001 0.000 0.262 843 E C -1.680 175.249 176.600 0.548 0.000 0.933 843 E CA -0.823 55.788 56.400 0.351 0.000 0.809 843 E CB 2.691 32.548 29.700 0.262 0.000 1.242 843 E HN 0.499 nan 8.360 nan 0.000 0.418 844 Y N -2.043 118.545 120.300 0.479 0.000 2.571 844 Y HA 0.682 5.231 4.550 -0.001 0.000 0.341 844 Y C -1.020 174.843 175.900 -0.061 0.000 1.076 844 Y CA -1.028 57.255 58.100 0.306 0.000 1.029 844 Y CB 1.740 40.287 38.460 0.145 0.000 1.308 844 Y HN 0.382 nan 8.280 nan 0.000 0.461 845 S N 0.409 115.857 115.700 -0.421 0.000 2.536 845 S HA 0.526 4.996 4.470 -0.001 0.000 0.287 845 S C -0.085 174.329 174.600 -0.309 0.000 1.101 845 S CA -0.005 57.727 58.200 -0.780 0.000 0.950 845 S CB 1.329 63.427 63.200 -1.837 0.000 1.056 845 S HN 1.230 nan 8.310 nan 0.000 0.481 846 T N -0.166 114.259 114.554 -0.214 0.000 3.174 846 T HA 0.263 4.613 4.350 -0.001 0.000 0.269 846 T C -0.042 174.577 174.700 -0.134 0.000 1.017 846 T CA -0.002 62.039 62.100 -0.098 0.000 0.899 846 T CB -0.280 68.588 68.868 -0.001 0.000 1.077 846 T HN 0.607 nan 8.240 nan 0.000 0.552 847 D N 0.276 120.548 120.400 -0.214 0.000 2.650 847 D HA 0.307 4.946 4.640 -0.001 0.000 0.265 847 D C 1.257 177.460 176.300 -0.162 0.000 1.339 847 D CA -0.325 53.575 54.000 -0.167 0.000 0.816 847 D CB -0.319 40.383 40.800 -0.165 0.000 1.091 847 D HN 0.400 nan 8.370 nan 0.000 0.483 848 G N -0.003 108.697 108.800 -0.167 0.000 2.198 848 G HA2 0.022 3.981 3.960 -0.001 0.000 0.257 848 G HA3 0.022 3.981 3.960 -0.001 0.000 0.257 848 G C 1.149 175.978 174.900 -0.118 0.000 1.042 848 G CA 0.287 45.322 45.100 -0.108 0.000 0.791 848 G HN 1.384 nan 8.290 nan 0.000 0.502 849 G N -1.072 107.552 108.800 -0.293 0.000 2.153 849 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.252 849 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.252 849 G C 1.344 176.165 174.900 -0.130 0.000 0.994 849 G CA 1.397 46.330 45.100 -0.279 0.000 0.698 849 G HN 0.878 nan 8.290 nan 0.000 0.521 850 K N -0.586 119.692 120.400 -0.203 0.000 2.044 850 K HA 0.098 4.417 4.320 -0.001 0.000 0.204 850 K C 1.163 177.695 176.600 -0.114 0.000 1.049 850 K CA 0.932 57.164 56.287 -0.091 0.000 0.945 850 K CB 0.008 32.459 32.500 -0.081 0.000 0.724 850 K HN 0.474 nan 8.250 nan 0.000 0.440 851 Q N -0.453 119.184 119.800 -0.271 0.000 2.333 851 Q HA 0.221 4.560 4.340 -0.001 0.000 0.267 851 Q C -1.396 174.335 176.000 -0.448 0.000 1.012 851 Q CA -0.351 55.324 55.803 -0.214 0.000 0.824 851 Q CB 1.430 30.078 28.738 -0.149 0.000 1.290 851 Q HN 0.026 nan 8.270 nan 0.000 0.449 852 W N 2.242 123.447 121.300 -0.159 0.000 2.606 852 W HA 0.443 5.103 4.660 -0.001 0.000 0.332 852 W C -0.110 176.259 176.519 -0.250 0.000 1.052 852 W CA -0.374 56.841 57.345 -0.217 0.000 1.223 852 W CB 1.451 30.782 29.460 -0.214 0.000 1.383 852 W HN 0.369 nan 8.180 nan 0.000 0.524 853 Q N 1.553 121.232 119.800 -0.203 0.000 2.421 853 Q HA 0.486 4.826 4.340 -0.001 0.000 0.280 853 Q C -0.838 175.054 176.000 -0.180 0.000 1.085 853 Q CA -1.531 54.108 55.803 -0.275 0.000 0.807 853 Q CB 2.576 31.037 28.738 -0.461 0.000 1.405 853 Q HN 0.412 nan 8.270 nan 0.000 0.419 854 R N 1.540 122.053 120.500 0.021 0.000 2.316 854 R HA 0.104 4.443 4.340 -0.001 0.000 0.314 854 R C -1.241 175.262 176.300 0.338 0.000 1.069 854 R CA -0.156 56.044 56.100 0.166 0.000 0.959 854 R CB 0.289 30.661 30.300 0.119 0.000 0.987 854 R HN 0.715 nan 8.270 nan 0.000 0.446 855 Y N 3.871 124.378 120.300 0.345 0.000 2.359 855 Y HA 0.183 4.732 4.550 -0.001 0.000 0.330 855 Y C -0.820 175.189 175.900 0.181 0.000 1.143 855 Y CA -0.334 57.980 58.100 0.357 0.000 1.318 855 Y CB 0.983 39.634 38.460 0.318 0.000 1.234 855 Y HN 0.611 nan 8.280 nan 0.000 0.522 856 D N 4.798 124.865 120.400 -0.556 0.000 2.481 856 D HA 0.375 5.014 4.640 -0.001 0.000 0.246 856 D C 0.447 176.275 176.300 -0.787 0.000 1.109 856 D CA 0.078 53.766 54.000 -0.520 0.000 0.845 856 D CB 1.796 42.477 40.800 -0.198 0.000 1.160 856 D HN 0.817 nan 8.370 nan 0.000 0.534 857 A N 4.660 127.100 122.820 -0.634 0.000 1.892 857 A HA -0.196 4.124 4.320 -0.001 0.000 0.218 857 A C 1.556 179.037 177.584 -0.171 0.000 1.188 857 A CA 1.386 53.221 52.037 -0.337 0.000 0.631 857 A CB -0.289 18.674 19.000 -0.063 0.000 0.822 857 A HN 0.627 nan 8.150 nan 0.000 0.447 858 K N -0.669 119.653 120.400 -0.131 0.000 2.546 858 K HA 0.378 4.698 4.320 -0.001 0.000 0.198 858 K C 0.039 176.595 176.600 -0.073 0.000 1.028 858 K CA 0.457 56.701 56.287 -0.072 0.000 1.150 858 K CB 0.028 32.499 32.500 -0.048 0.000 0.876 858 K HN 0.412 nan 8.250 nan 0.000 0.508 859 A N 1.540 124.295 122.820 -0.108 0.000 3.426 859 A HA 0.123 4.442 4.320 -0.001 0.000 0.222 859 A C -0.767 176.758 177.584 -0.097 0.000 1.090 859 A CA -0.748 51.243 52.037 -0.077 0.000 1.026 859 A CB 0.061 19.027 19.000 -0.056 0.000 1.342 859 A HN 0.081 nan 8.150 nan 0.000 0.695 860 K N 1.692 122.038 120.400 -0.090 0.000 2.518 860 K HA 0.248 4.567 4.320 -0.001 0.000 0.276 860 K C -2.294 174.287 176.600 -0.031 0.000 0.974 860 K CA -0.621 55.635 56.287 -0.051 0.000 0.986 860 K CB 0.495 33.013 32.500 0.031 0.000 0.901 860 K HN 0.421 nan 8.250 nan 0.000 0.497 861 P HA 0.184 nan 4.420 nan 0.000 0.282 861 P C -1.465 175.794 177.300 -0.068 0.000 1.259 861 P CA -0.667 62.395 63.100 -0.063 0.000 0.826 861 P CB 1.298 32.874 31.700 -0.207 0.000 1.064 862 A N 1.915 124.715 122.820 -0.034 0.000 2.274 862 A HA 0.605 4.924 4.320 -0.001 0.000 0.309 862 A C 0.112 177.677 177.584 -0.031 0.000 1.226 862 A CA -0.449 51.569 52.037 -0.032 0.000 0.853 862 A CB 0.136 19.127 19.000 -0.014 0.000 1.146 862 A HN 0.416 nan 8.150 nan 0.000 0.518 863 V N 0.374 120.261 119.914 -0.045 0.000 3.074 863 V HA 0.975 5.095 4.120 -0.001 0.000 0.314 863 V C -0.120 175.955 176.094 -0.031 0.000 1.117 863 V CA -0.237 62.041 62.300 -0.036 0.000 1.014 863 V CB 1.478 33.265 31.823 -0.060 0.000 1.057 863 V HN 1.505 nan 8.190 nan 0.000 0.438 864 S N 0.580 116.266 115.700 -0.024 0.000 2.537 864 S HA 0.906 5.375 4.470 -0.001 0.000 0.270 864 S C 0.007 174.592 174.600 -0.024 0.000 1.142 864 S CA 0.578 58.764 58.200 -0.024 0.000 0.870 864 S CB 1.231 64.420 63.200 -0.020 0.000 1.112 864 S HN 3.018 nan 8.310 nan 0.000 0.466 865 G N 1.909 110.695 108.800 -0.024 0.000 2.693 865 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.226 865 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.226 865 G C -0.465 174.420 174.900 -0.025 0.000 1.354 865 G CA -0.062 45.024 45.100 -0.024 0.000 0.873 865 G HN 1.166 nan 8.290 nan 0.000 0.562 866 E N -0.578 119.606 120.200 -0.026 0.000 2.324 866 E HA 0.419 4.768 4.350 -0.001 0.000 0.271 866 E C -0.094 176.486 176.600 -0.033 0.000 1.028 866 E CA -0.281 56.103 56.400 -0.026 0.000 0.890 866 E CB 0.584 30.268 29.700 -0.026 0.000 1.004 866 E HN 0.536 nan 8.360 nan 0.000 0.431 867 V N 4.843 124.743 119.914 -0.023 0.000 2.604 867 V HA 0.286 4.405 4.120 -0.001 0.000 0.305 867 V C -0.302 175.797 176.094 0.008 0.000 1.043 867 V CA -0.830 61.461 62.300 -0.015 0.000 0.888 867 V CB 1.869 33.689 31.823 -0.005 0.000 0.995 867 V HN 0.709 nan 8.190 nan 0.000 0.429 868 Q N 2.044 121.843 119.800 -0.002 0.000 2.345 868 Q HA 0.820 5.160 4.340 -0.001 0.000 0.268 868 Q C -1.126 175.060 176.000 0.309 0.000 1.054 868 Q CA -0.803 55.073 55.803 0.123 0.000 0.835 868 Q CB 2.905 31.720 28.738 0.128 0.000 1.339 868 Q HN 0.738 nan 8.270 nan 0.000 0.447 869 V N -1.079 119.067 119.914 0.386 0.000 2.914 869 V HA 0.893 5.012 4.120 -0.001 0.000 0.314 869 V C -0.768 175.491 176.094 0.276 0.000 1.084 869 V CA -1.011 61.524 62.300 0.392 0.000 0.963 869 V CB 2.088 34.017 31.823 0.177 0.000 1.025 869 V HN 0.953 nan 8.190 nan 0.000 0.432 870 R N 1.283 121.873 120.500 0.150 0.000 2.690 870 R HA 0.758 5.097 4.340 -0.001 0.000 0.269 870 R C -0.889 175.418 176.300 0.011 0.000 1.037 870 R CA -0.055 56.014 56.100 -0.051 0.000 0.877 870 R CB 1.686 31.738 30.300 -0.414 0.000 1.255 870 R HN 1.117 nan 8.270 nan 0.000 0.467 871 S N 0.482 116.196 115.700 0.023 0.000 2.745 871 S HA 0.731 5.201 4.470 -0.001 0.000 0.292 871 S C -0.477 174.165 174.600 0.070 0.000 1.133 871 S CA -0.596 57.637 58.200 0.055 0.000 0.998 871 S CB 2.006 65.228 63.200 0.038 0.000 1.087 871 S HN 0.678 nan 8.310 nan 0.000 0.551 872 V N 1.288 121.226 119.914 0.041 0.000 2.808 872 V HA 0.646 4.766 4.120 -0.001 0.000 0.308 872 V C -0.048 175.991 176.094 -0.093 0.000 1.099 872 V CA -0.361 61.901 62.300 -0.062 0.000 0.920 872 V CB 1.998 33.828 31.823 0.012 0.000 1.014 872 V HN 1.364 nan 8.190 nan 0.000 0.425 873 S N 5.877 121.469 115.700 -0.180 0.000 2.580 873 S HA 0.302 4.772 4.470 -0.001 0.000 0.266 873 S C -1.868 172.706 174.600 -0.043 0.000 1.354 873 S CA -0.256 57.907 58.200 -0.061 0.000 1.008 873 S CB 0.561 63.703 63.200 -0.097 0.000 0.898 873 S HN 0.718 nan 8.310 nan 0.000 0.555 874 P HA -0.097 nan 4.420 nan 0.000 0.218 874 P C 0.695 177.979 177.300 -0.028 0.000 1.148 874 P CA 1.387 64.480 63.100 -0.012 0.000 0.822 874 P CB -0.186 31.506 31.700 -0.013 0.000 0.784 875 D N -1.923 118.455 120.400 -0.037 0.000 2.340 875 D HA 0.094 4.734 4.640 -0.001 0.000 0.220 875 D C 1.375 177.636 176.300 -0.065 0.000 1.039 875 D CA 0.427 54.400 54.000 -0.045 0.000 0.866 875 D CB -1.112 39.663 40.800 -0.041 0.000 0.913 875 D HN 0.179 nan 8.370 nan 0.000 0.523 876 G N 0.794 109.537 108.800 -0.095 0.000 2.155 876 G HA2 -0.389 3.570 3.960 -0.001 0.000 0.257 876 G HA3 -0.389 3.570 3.960 -0.001 0.000 0.257 876 G C 1.014 175.788 174.900 -0.211 0.000 0.983 876 G CA 0.668 45.691 45.100 -0.127 0.000 0.676 876 G HN 0.482 nan 8.290 nan 0.000 0.528 877 K N -0.822 119.435 120.400 -0.239 0.000 2.323 877 K HA 0.164 4.484 4.320 -0.001 0.000 0.197 877 K C 1.330 177.674 176.600 -0.427 0.000 1.043 877 K CA 0.305 56.445 56.287 -0.245 0.000 0.997 877 K CB 0.492 32.905 32.500 -0.145 0.000 0.807 877 K HN 0.362 nan 8.250 nan 0.000 0.497 878 R N -0.027 120.122 120.500 -0.585 0.000 2.807 878 R HA 0.414 4.753 4.340 -0.001 0.000 0.276 878 R C -1.330 174.428 176.300 -0.903 0.000 0.979 878 R CA -0.756 54.985 56.100 -0.599 0.000 0.928 878 R CB 1.426 31.510 30.300 -0.360 0.000 1.191 878 R HN -0.132 nan 8.270 nan 0.000 0.471 879 Y N -0.511 119.699 120.300 -0.150 0.000 2.536 879 Y HA 0.298 4.848 4.550 -0.000 0.000 0.347 879 Y C 0.599 176.411 175.900 -0.147 0.000 1.000 879 Y CA -0.899 57.096 58.100 -0.175 0.000 1.051 879 Y CB 2.001 40.305 38.460 -0.260 0.000 1.259 879 Y HN 0.666 nan 8.280 nan 0.000 0.468 880 S N 2.014 117.732 115.700 0.029 0.000 2.626 880 S HA 0.417 4.887 4.470 -0.001 0.000 0.257 880 S C 0.121 174.721 174.600 0.001 0.000 1.288 880 S CA -1.020 57.183 58.200 0.005 0.000 0.980 880 S CB 0.472 63.672 63.200 -0.001 0.000 0.975 880 S HN 0.754 nan 8.310 nan 0.000 0.577 881 R N 0.140 120.652 120.500 0.019 0.000 2.774 881 R HA 0.541 4.880 4.340 -0.001 0.000 0.269 881 R C -0.090 176.203 176.300 -0.011 0.000 1.068 881 R CA -0.302 55.803 56.100 0.009 0.000 1.180 881 R CB -0.082 30.237 30.300 0.032 0.000 1.077 881 R HN 0.712 nan 8.270 nan 0.000 0.513 882 A N 1.593 124.412 122.820 -0.003 0.000 2.301 882 A HA 0.344 4.663 4.320 -0.001 0.000 0.312 882 A C -0.656 176.992 177.584 0.107 0.000 1.182 882 A CA -0.671 51.403 52.037 0.062 0.000 0.826 882 A CB 0.692 19.776 19.000 0.141 0.000 1.134 882 A HN 0.829 nan 8.150 nan 0.000 0.501 883 E N 1.270 121.548 120.200 0.130 0.000 2.317 883 E HA 0.291 4.641 4.350 -0.001 0.000 0.270 883 E C -1.090 175.571 176.600 0.102 0.000 0.885 883 E CA -0.891 55.565 56.400 0.093 0.000 0.760 883 E CB 2.210 31.943 29.700 0.055 0.000 1.227 883 E HN 0.635 nan 8.360 nan 0.000 0.434 884 K N 1.307 121.748 120.400 0.067 0.000 2.298 884 K HA 0.245 4.564 4.320 -0.001 0.000 0.280 884 K C 0.039 176.658 176.600 0.032 0.000 1.032 884 K CA -0.388 55.928 56.287 0.048 0.000 0.958 884 K CB 0.928 33.445 32.500 0.028 0.000 0.978 884 K HN 0.166 nan 8.250 nan 0.000 0.472 885 V N 0.000 119.929 119.914 0.024 0.000 2.409 885 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 885 V CA 0.000 62.304 62.300 0.006 0.000 1.235 885 V CB 0.000 31.819 31.823 -0.007 0.000 1.184 885 V HN 0.000 nan 8.190 nan 0.000 0.556