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 2ojv_1_A DATA FIRST_RESID 1 DATA SEQUENCE SWEVGcGAPV PLVTCDEQSP YRTITGDCNN RRSPALGAAN RALARWLPAE DATA SEQUENCE YEDGLAVPFG WTQRKTRNGF RVPLAREVSN KIVGYLDEEG VLDQNRSLLF DATA SEQUENCE MQWGQIVDHD LDFAPETELG SSEHSKVQcE EYcVQGDEcF PIMFPKNDPK DATA SEQUENCE LKTQGKcMPF FRAGFVcPTP PYQSLARDQI NAVTSFLDAS LVYGSEPSLA DATA SEQUENCE SRLRNLSSPL GLMAVNQEAW DHGLAYPPFN NVKPSPcEFI NTTAHVPcFQ DATA SEQUENCE AGDSRASEQI LLATVHTLLL REHNRLAREL KRLNPHWDGE MLYQEARKIL DATA SEQUENCE GAFIQIITFR DYLPIVLGSE MQKWIPPYQG YNNSVDPRIS NVFTFAFRFG DATA SEQUENCE HMEVPSTVSR LDENYQPWGP EAELPLHTLF FNTWRIIKDG GIDPLVRGLL DATA SEQUENCE AKNSKLMNQN KMVTSELRNK LFQPTHKVHG FDLAAINLQR CRDHGMPGYN DATA SEQUENCE SWRGFcGLSQ PKTLKGLQAV LKNKVLAKKL LDLYKTPDNI DIWIGGNAEP DATA SEQUENCE MVERGRVGPL LAcLLGRQFQ QIRDGDRFWW ENPGVFTEKQ RDSLQKVSFS DATA SEQUENCE RLIcDNTHIT KVPLHAFQAN NYPHDFVDcS AVDKLDLSPW ASREN 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.492 174.600 -0.179 0.000 1.055 1 S CA 0.000 58.153 58.200 -0.079 0.000 1.107 1 S CB 0.000 63.265 63.200 0.108 0.000 0.593 2 W N 0.648 121.961 121.300 0.021 0.000 2.655 2 W HA 0.511 5.117 4.660 -0.090 0.000 0.358 2 W C 0.258 176.785 176.519 0.014 0.000 1.100 2 W CA -0.578 56.778 57.345 0.017 0.000 1.195 2 W CB 0.827 30.298 29.460 0.017 0.000 1.403 2 W HN 0.787 nan 8.180 nan 0.000 0.589 3 E N 0.960 121.281 120.200 0.202 0.000 3.231 3 E HA -0.122 4.174 4.350 -0.090 0.000 0.271 3 E C 1.047 177.706 176.600 0.098 0.000 0.877 3 E CA 0.566 57.032 56.400 0.111 0.000 0.973 3 E CB 0.938 30.685 29.700 0.077 0.000 0.922 3 E HN 0.383 nan 8.360 nan 0.000 0.532 4 V N 1.176 121.134 119.914 0.073 0.000 3.608 4 V HA 0.213 4.279 4.120 -0.090 0.000 0.269 4 V C 1.074 177.198 176.094 0.051 0.000 1.245 4 V CA 0.958 63.298 62.300 0.067 0.000 1.138 4 V CB 0.676 32.534 31.823 0.058 0.000 0.841 4 V HN 0.567 nan 8.190 nan 0.000 0.451 5 G N -0.664 108.161 108.800 0.042 0.000 4.331 5 G HA2 0.314 4.220 3.960 -0.090 0.000 0.299 5 G HA3 0.314 4.220 3.960 -0.090 0.000 0.299 5 G C -0.157 174.754 174.900 0.018 0.000 1.158 5 G CA 0.123 45.241 45.100 0.030 0.000 0.916 5 G HN 0.385 nan 8.290 nan 0.000 0.553 6 c N 0.223 118.831 118.600 0.014 0.000 2.382 6 c HA 0.951 5.467 4.570 -0.090 0.000 0.363 6 c C 0.967 175.041 174.090 -0.027 0.000 1.213 6 c CA 1.270 57.593 56.329 -0.011 0.000 2.363 6 c CB 0.352 42.851 42.510 -0.020 0.000 2.397 6 c HN 1.173 nan 8.230 nan 0.000 0.573 7 G N 1.485 110.253 108.800 -0.053 0.000 2.347 7 G HA2 0.485 4.391 3.960 -0.090 0.000 0.477 7 G HA3 0.485 4.391 3.960 -0.090 0.000 0.477 7 G C -0.906 173.955 174.900 -0.064 0.000 1.349 7 G CA -0.021 45.038 45.100 -0.068 0.000 1.000 7 G HN 1.698 nan 8.290 nan 0.000 0.605 8 A N 1.078 123.851 122.820 -0.078 0.000 3.218 8 A HA 0.769 5.035 4.320 -0.090 0.000 0.321 8 A C -1.268 176.285 177.584 -0.052 0.000 1.012 8 A CA -0.688 51.308 52.037 -0.069 0.000 0.948 8 A CB -0.046 18.896 19.000 -0.097 0.000 1.050 8 A HN 0.517 nan 8.150 nan 0.000 0.492 9 P HA 0.206 nan 4.420 nan 0.000 0.291 9 P C -0.141 177.155 177.300 -0.008 0.000 1.287 9 P CA -0.196 62.896 63.100 -0.013 0.000 0.767 9 P CB 0.453 32.153 31.700 0.001 0.000 1.290 10 V N 1.820 121.737 119.914 0.006 0.000 2.385 10 V HA 0.089 4.155 4.120 -0.090 0.000 0.269 10 V C -1.163 174.938 176.094 0.011 0.000 1.043 10 V CA -0.760 61.545 62.300 0.008 0.000 0.906 10 V CB 0.510 32.343 31.823 0.018 0.000 0.995 10 V HN 0.563 nan 8.190 nan 0.000 0.467 11 P HA -0.100 nan 4.420 nan 0.000 0.212 11 P C 1.030 178.337 177.300 0.012 0.000 1.178 11 P CA 1.287 64.392 63.100 0.007 0.000 0.915 11 P CB 0.185 31.887 31.700 0.003 0.000 0.788 12 L N -1.478 119.752 121.223 0.012 0.000 2.818 12 L HA 0.100 4.386 4.340 -0.090 0.000 0.243 12 L C 0.096 176.977 176.870 0.018 0.000 1.185 12 L CA -0.289 54.559 54.840 0.013 0.000 0.988 12 L CB -0.331 41.734 42.059 0.010 0.000 1.292 12 L HN -0.212 nan 8.230 nan 0.000 0.519 13 V N -1.087 118.840 119.914 0.022 0.000 2.644 13 V HA 0.231 4.297 4.120 -0.090 0.000 0.305 13 V C 0.537 176.649 176.094 0.030 0.000 1.053 13 V CA -0.147 62.169 62.300 0.027 0.000 1.186 13 V CB -0.569 31.274 31.823 0.034 0.000 0.895 13 V HN 0.437 nan 8.190 nan 0.000 0.490 14 T N 2.196 116.767 114.554 0.029 0.000 2.907 14 T HA 0.548 4.844 4.350 -0.090 0.000 0.292 14 T C -0.214 174.506 174.700 0.034 0.000 1.043 14 T CA -0.736 61.382 62.100 0.031 0.000 1.003 14 T CB 1.199 70.082 68.868 0.025 0.000 1.084 14 T HN 0.927 nan 8.240 nan 0.000 0.483 15 C N 2.576 121.899 119.300 0.039 0.000 2.585 15 C HA 0.269 4.675 4.460 -0.090 0.000 0.406 15 C C 1.972 176.983 174.990 0.034 0.000 1.312 15 C CA -0.431 58.613 59.018 0.043 0.000 1.924 15 C CB -0.387 27.385 27.740 0.052 0.000 2.578 15 C HN 1.069 nan 8.230 nan 0.000 0.580 16 D N 1.128 121.548 120.400 0.034 0.000 2.123 16 D HA -0.112 4.474 4.640 -0.090 0.000 0.200 16 D C 1.213 177.525 176.300 0.020 0.000 0.976 16 D CA 1.222 55.237 54.000 0.024 0.000 0.831 16 D CB 0.057 40.870 40.800 0.022 0.000 0.974 16 D HN 0.853 nan 8.370 nan 0.000 0.469 17 E N -1.374 118.843 120.200 0.028 0.000 4.028 17 E HA -0.254 4.042 4.350 -0.090 0.000 0.343 17 E C 0.240 176.839 176.600 -0.001 0.000 0.700 17 E CA 0.791 57.202 56.400 0.018 0.000 1.288 17 E CB -0.966 28.744 29.700 0.016 0.000 1.677 17 E HN 0.288 nan 8.360 nan 0.000 0.424 18 Q N -0.223 119.572 119.800 -0.008 0.000 1.906 18 Q HA 0.137 4.423 4.340 -0.090 0.000 0.199 18 Q C -0.991 174.980 176.000 -0.048 0.000 0.816 18 Q CA 0.368 56.153 55.803 -0.030 0.000 0.951 18 Q CB 1.407 30.129 28.738 -0.027 0.000 1.246 18 Q HN 0.081 nan 8.270 nan 0.000 0.407 19 S N 0.294 115.974 115.700 -0.033 0.000 2.499 19 S HA 0.390 4.806 4.470 -0.090 0.000 0.279 19 S C -1.734 172.788 174.600 -0.130 0.000 1.219 19 S CA -1.370 56.783 58.200 -0.079 0.000 1.062 19 S CB 0.802 63.991 63.200 -0.019 0.000 0.978 19 S HN 0.082 nan 8.310 nan 0.000 0.489 20 P HA 0.078 nan 4.420 nan 0.000 0.230 20 P C -0.863 176.134 177.300 -0.506 0.000 1.158 20 P CA 0.909 63.683 63.100 -0.544 0.000 0.769 20 P CB -0.102 30.962 31.700 -1.060 0.000 0.807 21 Y N -0.934 119.297 120.300 -0.114 0.000 2.468 21 Y HA 0.420 4.912 4.550 -0.096 0.000 0.342 21 Y C 1.225 176.743 175.900 -0.636 0.000 1.021 21 Y CA -1.536 56.355 58.100 -0.350 0.000 1.079 21 Y CB 1.401 39.725 38.460 -0.228 0.000 1.226 21 Y HN -0.421 nan 8.280 nan 0.000 0.460 22 R N 0.816 120.869 120.500 -0.746 0.000 2.694 22 R HA 0.143 4.429 4.340 -0.090 0.000 0.268 22 R C 0.220 176.352 176.300 -0.281 0.000 1.061 22 R CA -0.054 55.586 56.100 -0.765 0.000 1.133 22 R CB 0.418 30.372 30.300 -0.576 0.000 1.020 22 R HN 0.766 nan 8.270 nan 0.000 0.475 23 T N -1.103 113.358 114.554 -0.156 0.000 2.788 23 T HA 0.132 4.428 4.350 -0.090 0.000 0.287 23 T C 1.585 176.278 174.700 -0.013 0.000 1.007 23 T CA -0.905 61.170 62.100 -0.042 0.000 1.005 23 T CB 0.646 69.522 68.868 0.013 0.000 1.012 23 T HN 0.294 nan 8.240 nan 0.000 0.530 24 I N 1.609 122.194 120.570 0.025 0.000 2.315 24 I HA -0.101 4.015 4.170 -0.090 0.000 0.248 24 I C 2.771 178.943 176.117 0.092 0.000 1.117 24 I CA 1.912 63.248 61.300 0.061 0.000 1.404 24 I CB -1.539 36.503 38.000 0.070 0.000 1.071 24 I HN 0.979 nan 8.210 nan 0.000 0.419 25 T N -2.546 112.062 114.554 0.089 0.000 3.081 25 T HA 0.240 4.536 4.350 -0.090 0.000 0.255 25 T C 1.591 176.384 174.700 0.156 0.000 1.113 25 T CA 0.760 62.924 62.100 0.107 0.000 1.082 25 T CB 0.343 69.261 68.868 0.083 0.000 0.939 25 T HN 0.448 nan 8.240 nan 0.000 0.506 26 G N 1.101 110.011 108.800 0.183 0.000 2.194 26 G HA2 -0.196 3.710 3.960 -0.090 0.000 0.236 26 G HA3 -0.196 3.710 3.960 -0.090 0.000 0.236 26 G C -0.194 174.890 174.900 0.307 0.000 0.987 26 G CA -0.028 45.270 45.100 0.331 0.000 0.635 26 G HN 0.575 nan 8.290 nan 0.000 0.520 27 D N -0.439 120.072 120.400 0.185 0.000 2.378 27 D HA 0.333 4.919 4.640 -0.090 0.000 0.238 27 D C 1.526 177.909 176.300 0.138 0.000 1.180 27 D CA 1.177 55.270 54.000 0.154 0.000 0.895 27 D CB 0.865 41.727 40.800 0.103 0.000 1.192 27 D HN 0.804 nan 8.370 nan 0.000 0.438 28 C N 0.641 120.022 119.300 0.135 0.000 4.593 28 C HA -0.170 4.236 4.460 -0.090 0.000 0.263 28 C C 1.979 177.057 174.990 0.147 0.000 1.378 28 C CA 0.041 59.132 59.018 0.122 0.000 1.666 28 C CB -2.562 25.236 27.740 0.097 0.000 1.603 28 C HN 0.769 nan 8.230 nan 0.000 0.704 29 N N 1.849 120.645 118.700 0.160 0.000 2.062 29 N HA -0.099 4.587 4.740 -0.090 0.000 0.191 29 N C 0.476 176.054 175.510 0.114 0.000 1.042 29 N CA 1.326 54.440 53.050 0.107 0.000 0.845 29 N CB -0.154 38.286 38.487 -0.078 0.000 1.024 29 N HN 0.789 nan 8.380 nan 0.000 0.424 30 N N 1.171 119.996 118.700 0.210 0.000 2.408 30 N HA 0.049 4.735 4.740 -0.090 0.000 0.257 30 N C 0.800 176.402 175.510 0.154 0.000 1.064 30 N CA -0.036 53.148 53.050 0.223 0.000 0.952 30 N CB 0.801 39.436 38.487 0.246 0.000 1.093 30 N HN 0.175 nan 8.380 nan 0.000 0.490 31 R N 2.626 123.204 120.500 0.132 0.000 2.073 31 R HA -0.062 4.223 4.340 -0.090 0.000 0.234 31 R C 1.962 178.312 176.300 0.083 0.000 1.134 31 R CA 1.341 57.495 56.100 0.090 0.000 0.952 31 R CB 0.030 30.373 30.300 0.071 0.000 0.850 31 R HN 0.559 nan 8.270 nan 0.000 0.433 32 R N -0.392 120.160 120.500 0.086 0.000 2.120 32 R HA -0.024 4.262 4.340 -0.090 0.000 0.234 32 R C 0.327 176.669 176.300 0.071 0.000 1.123 32 R CA 1.161 57.302 56.100 0.068 0.000 0.975 32 R CB 0.126 30.463 30.300 0.062 0.000 0.866 32 R HN -0.017 nan 8.270 nan 0.000 0.446 33 S N -0.393 115.362 115.700 0.091 0.000 2.216 33 S HA 0.300 4.716 4.470 -0.090 0.000 0.156 33 S C -2.255 172.412 174.600 0.112 0.000 1.665 33 S CA -1.519 56.735 58.200 0.091 0.000 1.262 33 S CB 1.255 64.508 63.200 0.088 0.000 1.207 33 S HN -0.050 nan 8.310 nan 0.000 0.427 34 P HA -0.091 nan 4.420 nan 0.000 0.217 34 P C 1.195 178.572 177.300 0.129 0.000 1.148 34 P CA 1.278 64.447 63.100 0.115 0.000 0.834 34 P CB 0.147 31.900 31.700 0.088 0.000 0.783 35 A N -1.673 121.212 122.820 0.109 0.000 2.169 35 A HA 0.020 4.286 4.320 -0.090 0.000 0.212 35 A C 0.878 178.533 177.584 0.119 0.000 1.153 35 A CA 0.020 52.120 52.037 0.104 0.000 0.756 35 A CB -0.996 18.047 19.000 0.072 0.000 0.813 35 A HN 0.078 nan 8.150 nan 0.000 0.471 36 L N 0.719 122.026 121.223 0.140 0.000 2.615 36 L HA 0.354 4.640 4.340 -0.090 0.000 0.271 36 L C 1.458 178.419 176.870 0.151 0.000 1.183 36 L CA 1.574 56.496 54.840 0.138 0.000 0.933 36 L CB -0.326 41.833 42.059 0.167 0.000 1.199 36 L HN 0.644 nan 8.230 nan 0.000 0.487 37 G N 2.734 111.531 108.800 -0.005 0.000 2.217 37 G HA2 -0.217 3.688 3.960 -0.090 0.000 0.246 37 G HA3 -0.217 3.688 3.960 -0.090 0.000 0.246 37 G C 0.567 175.406 174.900 -0.102 0.000 0.990 37 G CA 0.200 45.139 45.100 -0.268 0.000 0.627 37 G HN 1.087 nan 8.290 nan 0.000 0.522 38 A N 0.474 123.343 122.820 0.083 0.000 2.448 38 A HA 0.780 5.046 4.320 -0.090 0.000 0.239 38 A C 1.123 178.740 177.584 0.055 0.000 1.080 38 A CA 1.223 53.330 52.037 0.116 0.000 0.779 38 A CB 0.239 19.308 19.000 0.115 0.000 1.026 38 A HN 2.121 nan 8.150 nan 0.000 0.499 39 A N 1.011 123.873 122.820 0.071 0.000 2.296 39 A HA 0.482 4.748 4.320 -0.090 0.000 0.264 39 A C 0.839 178.441 177.584 0.031 0.000 1.097 39 A CA 0.042 52.109 52.037 0.051 0.000 0.811 39 A CB -0.166 18.877 19.000 0.073 0.000 1.072 39 A HN 1.228 nan 8.150 nan 0.000 0.495 40 N N -0.550 118.158 118.700 0.014 0.000 2.735 40 N HA -0.129 4.557 4.740 -0.090 0.000 0.248 40 N C -0.327 175.171 175.510 -0.020 0.000 1.083 40 N CA 1.164 54.207 53.050 -0.012 0.000 0.703 40 N CB -0.669 37.810 38.487 -0.012 0.000 1.005 40 N HN 0.648 nan 8.380 nan 0.000 0.550 41 R N -0.259 120.233 120.500 -0.013 0.000 2.939 41 R HA 0.713 4.999 4.340 -0.090 0.000 0.254 41 R C 0.063 176.353 176.300 -0.017 0.000 1.123 41 R CA -0.492 55.600 56.100 -0.013 0.000 1.020 41 R CB 0.863 31.165 30.300 0.004 0.000 1.206 41 R HN 0.116 nan 8.270 nan 0.000 0.491 42 A N 1.379 124.193 122.820 -0.010 0.000 2.425 42 A HA 0.291 4.557 4.320 -0.090 0.000 0.249 42 A C 0.335 177.918 177.584 -0.001 0.000 1.084 42 A CA -0.297 51.737 52.037 -0.004 0.000 0.781 42 A CB -0.004 19.001 19.000 0.008 0.000 1.019 42 A HN 0.546 nan 8.150 nan 0.000 0.490 43 L N 1.455 122.677 121.223 -0.002 0.000 2.485 43 L HA 0.273 4.559 4.340 -0.090 0.000 0.275 43 L C 1.138 178.007 176.870 -0.002 0.000 1.207 43 L CA -0.092 54.741 54.840 -0.012 0.000 0.855 43 L CB 0.440 42.502 42.059 0.006 0.000 1.114 43 L HN 0.840 nan 8.230 nan 0.000 0.485 44 A N 4.684 127.491 122.820 -0.022 0.000 2.386 44 A HA 0.422 4.688 4.320 -0.090 0.000 0.248 44 A C -0.040 177.552 177.584 0.014 0.000 1.082 44 A CA -0.369 51.687 52.037 0.032 0.000 0.789 44 A CB 0.305 19.361 19.000 0.094 0.000 1.025 44 A HN 0.702 nan 8.150 nan 0.000 0.490 45 R N 1.199 121.772 120.500 0.121 0.000 2.288 45 R HA 0.145 4.431 4.340 -0.090 0.000 0.326 45 R C -0.461 176.053 176.300 0.356 0.000 0.959 45 R CA -0.420 55.776 56.100 0.160 0.000 0.834 45 R CB 0.829 31.212 30.300 0.138 0.000 1.157 45 R HN 0.933 nan 8.270 nan 0.000 0.470 46 W N 2.320 123.712 121.300 0.154 0.000 2.584 46 W HA 0.148 4.753 4.660 -0.092 0.000 0.264 46 W C 0.442 177.022 176.519 0.103 0.000 1.264 46 W CA 0.262 57.705 57.345 0.164 0.000 1.306 46 W CB -0.010 29.528 29.460 0.131 0.000 1.110 46 W HN 0.306 nan 8.180 nan 0.000 0.606 47 L N -0.350 121.027 121.223 0.257 0.000 2.424 47 L HA 0.370 4.656 4.340 -0.090 0.000 0.258 47 L C -2.189 174.706 176.870 0.042 0.000 0.995 47 L CA -2.156 52.702 54.840 0.030 0.000 0.821 47 L CB 1.990 43.846 42.059 -0.338 0.000 1.383 47 L HN -0.507 nan 8.230 nan 0.000 0.410 48 P HA 0.144 nan 4.420 nan 0.000 0.269 48 P C -0.762 176.528 177.300 -0.016 0.000 1.209 48 P CA -0.265 62.846 63.100 0.019 0.000 0.776 48 P CB 0.596 32.310 31.700 0.024 0.000 0.876 49 A N 2.248 125.054 122.820 -0.024 0.000 2.386 49 A HA 0.199 4.465 4.320 -0.090 0.000 0.248 49 A C 0.018 177.509 177.584 -0.155 0.000 1.082 49 A CA -0.193 51.775 52.037 -0.116 0.000 0.789 49 A CB -0.029 18.889 19.000 -0.136 0.000 1.025 49 A HN 0.565 nan 8.150 nan 0.000 0.490 50 E N 0.573 120.619 120.200 -0.257 0.000 2.145 50 E HA 0.460 4.756 4.350 -0.090 0.000 0.262 50 E C -1.832 174.632 176.600 -0.227 0.000 0.883 50 E CA -0.048 56.317 56.400 -0.059 0.000 0.748 50 E CB 1.314 31.090 29.700 0.127 0.000 1.140 50 E HN 0.596 nan 8.360 nan 0.000 0.417 51 Y N 0.553 120.813 120.300 -0.067 0.000 2.536 51 Y HA 0.098 4.594 4.550 -0.090 0.000 0.347 51 Y C 1.451 176.878 175.900 -0.788 0.000 1.000 51 Y CA -0.946 56.927 58.100 -0.379 0.000 1.051 51 Y CB 1.563 39.850 38.460 -0.288 0.000 1.259 51 Y HN 0.521 nan 8.280 nan 0.000 0.468 52 E N 0.702 120.337 120.200 -0.942 0.000 2.097 52 E HA -0.234 4.062 4.350 -0.090 0.000 0.196 52 E C 0.325 176.708 176.600 -0.360 0.000 1.000 52 E CA 1.995 57.849 56.400 -0.910 0.000 0.804 52 E CB 0.113 29.480 29.700 -0.555 0.000 0.740 52 E HN 0.786 nan 8.360 nan 0.000 0.454 53 D N -1.938 118.302 120.400 -0.265 0.000 2.501 53 D HA 0.128 4.714 4.640 -0.090 0.000 0.226 53 D C 1.051 177.283 176.300 -0.114 0.000 1.198 53 D CA 0.456 54.355 54.000 -0.167 0.000 0.830 53 D CB 0.372 41.056 40.800 -0.193 0.000 1.014 53 D HN 0.322 nan 8.370 nan 0.000 0.496 54 G N 0.367 109.124 108.800 -0.071 0.000 2.220 54 G HA2 -0.342 3.564 3.960 -0.090 0.000 0.269 54 G HA3 -0.342 3.564 3.960 -0.090 0.000 0.269 54 G C 0.756 175.653 174.900 -0.005 0.000 0.977 54 G CA 0.804 45.903 45.100 -0.003 0.000 0.634 54 G HN 0.461 nan 8.290 nan 0.000 0.539 55 L N -2.361 118.791 121.223 -0.119 0.000 2.758 55 L HA 0.642 4.928 4.340 -0.090 0.000 0.234 55 L C 2.124 178.582 176.870 -0.686 0.000 1.049 55 L CA 1.185 55.867 54.840 -0.265 0.000 0.908 55 L CB 0.363 42.260 42.059 -0.270 0.000 1.362 55 L HN 0.557 nan 8.230 nan 0.000 0.499 56 A N -1.315 120.902 122.820 -1.005 0.000 2.604 56 A HA 0.278 4.543 4.320 -0.090 0.000 0.157 56 A C -0.034 176.834 177.584 -1.193 0.000 1.680 56 A CA -0.060 51.113 52.037 -1.440 0.000 1.227 56 A CB 0.489 18.980 19.000 -0.848 0.000 1.493 56 A HN -0.081 nan 8.150 nan 0.000 0.453 57 V N 3.593 123.030 119.914 -0.794 0.000 2.432 57 V HA 0.361 4.427 4.120 -0.090 0.000 0.271 57 V C -2.429 173.443 176.094 -0.370 0.000 1.046 57 V CA -1.561 60.327 62.300 -0.688 0.000 0.945 57 V CB 1.007 32.440 31.823 -0.649 0.000 0.992 57 V HN 0.277 nan 8.190 nan 0.000 0.471 58 P HA 0.268 nan 4.420 nan 0.000 0.276 58 P C -0.508 176.791 177.300 -0.002 0.000 1.244 58 P CA -0.514 62.584 63.100 -0.004 0.000 0.801 58 P CB 0.494 32.158 31.700 -0.059 0.000 1.006 59 F N 0.607 120.655 119.950 0.165 0.000 2.529 59 F HA 0.345 4.818 4.527 -0.091 0.000 0.365 59 F C 1.946 177.896 175.800 0.250 0.000 1.102 59 F CA 2.026 60.130 58.000 0.172 0.000 1.271 59 F CB 0.033 39.115 39.000 0.137 0.000 1.120 59 F HN 0.677 nan 8.300 nan 0.000 0.579 60 G N 2.541 111.595 108.800 0.424 0.000 2.259 60 G HA2 -0.281 3.625 3.960 -0.090 0.000 0.217 60 G HA3 -0.281 3.625 3.960 -0.090 0.000 0.217 60 G C 1.057 176.177 174.900 0.367 0.000 1.001 60 G CA 0.116 45.433 45.100 0.361 0.000 0.627 60 G HN 0.745 nan 8.290 nan 0.000 0.501 61 W N 2.072 123.453 121.300 0.135 0.000 2.353 61 W HA 0.071 4.677 4.660 -0.090 0.000 0.319 61 W C 0.453 176.991 176.519 0.032 0.000 1.207 61 W CA 2.110 59.474 57.345 0.032 0.000 1.291 61 W CB -0.442 28.907 29.460 -0.184 0.000 1.159 61 W HN 0.210 nan 8.180 nan 0.000 0.478 62 T N 2.278 117.016 114.554 0.307 0.000 2.882 62 T HA 0.091 4.387 4.350 -0.090 0.000 0.287 62 T C 1.071 175.836 174.700 0.110 0.000 0.992 62 T CA -0.472 61.738 62.100 0.183 0.000 1.076 62 T CB 1.833 70.822 68.868 0.203 0.000 0.961 62 T HN 0.031 nan 8.240 nan 0.000 0.490 63 Q N 1.860 121.693 119.800 0.055 0.000 2.269 63 Q HA -0.025 4.261 4.340 -0.090 0.000 0.201 63 Q C 2.203 178.237 176.000 0.057 0.000 0.946 63 Q CA 0.673 56.503 55.803 0.044 0.000 0.877 63 Q CB 0.059 28.800 28.738 0.006 0.000 0.963 63 Q HN 0.678 nan 8.270 nan 0.000 0.472 64 R N 0.254 120.788 120.500 0.057 0.000 2.276 64 R HA 0.143 4.429 4.340 -0.090 0.000 0.196 64 R C 0.269 176.609 176.300 0.066 0.000 0.961 64 R CA 0.002 56.133 56.100 0.051 0.000 1.024 64 R CB 0.196 30.520 30.300 0.039 0.000 0.940 64 R HN -0.176 nan 8.270 nan 0.000 0.480 65 K N 2.586 123.042 120.400 0.094 0.000 2.237 65 K HA 0.116 4.382 4.320 -0.090 0.000 0.270 65 K C 0.200 176.892 176.600 0.153 0.000 1.015 65 K CA 0.162 56.521 56.287 0.120 0.000 0.949 65 K CB 1.655 34.238 32.500 0.138 0.000 0.976 65 K HN 0.266 nan 8.250 nan 0.000 0.472 66 T N -0.974 113.671 114.554 0.152 0.000 2.927 66 T HA 0.518 4.814 4.350 -0.090 0.000 0.286 66 T C -0.274 174.544 174.700 0.196 0.000 1.040 66 T CA -1.009 61.176 62.100 0.140 0.000 1.010 66 T CB 1.905 70.791 68.868 0.030 0.000 1.177 66 T HN 0.508 nan 8.240 nan 0.000 0.546 67 R N 0.953 121.495 120.500 0.070 0.000 2.388 67 R HA 0.332 4.618 4.340 -0.090 0.000 0.314 67 R C -0.462 175.810 176.300 -0.047 0.000 0.959 67 R CA -0.386 55.621 56.100 -0.155 0.000 0.851 67 R CB 0.000 29.978 30.300 -0.537 0.000 1.168 67 R HN 0.824 nan 8.270 nan 0.000 0.472 68 N N 3.060 121.738 118.700 -0.037 0.000 2.747 68 N HA -0.199 4.487 4.740 -0.090 0.000 0.249 68 N C 0.527 175.943 175.510 -0.157 0.000 1.107 68 N CA 1.585 54.621 53.050 -0.022 0.000 0.707 68 N CB -1.114 37.402 38.487 0.049 0.000 1.054 68 N HN 1.071 nan 8.380 nan 0.000 0.555 69 G N -2.187 106.467 108.800 -0.244 0.000 2.194 69 G HA2 -0.274 3.632 3.960 -0.090 0.000 0.236 69 G HA3 -0.274 3.632 3.960 -0.090 0.000 0.236 69 G C -0.106 174.315 174.900 -0.799 0.000 0.987 69 G CA 0.312 45.066 45.100 -0.576 0.000 0.635 69 G HN 0.378 nan 8.290 nan 0.000 0.520 70 F N 0.219 120.183 119.950 0.024 0.000 2.603 70 F HA 0.738 5.211 4.527 -0.090 0.000 0.317 70 F C 0.767 176.585 175.800 0.031 0.000 1.066 70 F CA -1.290 56.725 58.000 0.025 0.000 0.941 70 F CB 1.154 40.168 39.000 0.023 0.000 1.291 70 F HN -0.080 nan 8.300 nan 0.000 0.472 71 R N 0.991 121.629 120.500 0.230 0.000 2.590 71 R HA 0.401 4.687 4.340 -0.090 0.000 0.274 71 R C -0.652 175.718 176.300 0.116 0.000 1.061 71 R CA -0.514 55.671 56.100 0.143 0.000 1.081 71 R CB 0.619 30.975 30.300 0.094 0.000 0.984 71 R HN 0.547 nan 8.270 nan 0.000 0.448 72 V N 1.387 121.364 119.914 0.104 0.000 2.583 72 V HA 0.373 4.438 4.120 -0.090 0.000 0.287 72 V C -1.795 174.282 176.094 -0.028 0.000 1.051 72 V CA -1.884 60.450 62.300 0.056 0.000 1.010 72 V CB 0.671 32.569 31.823 0.125 0.000 0.988 72 V HN 0.680 nan 8.190 nan 0.000 0.478 73 P HA 0.359 nan 4.420 nan 0.000 0.274 73 P C -0.377 176.843 177.300 -0.135 0.000 1.237 73 P CA -0.572 62.408 63.100 -0.199 0.000 0.793 73 P CB 0.789 32.245 31.700 -0.407 0.000 0.977 74 L N 1.202 122.363 121.223 -0.103 0.000 2.453 74 L HA 0.098 4.384 4.340 -0.090 0.000 0.272 74 L C 1.997 178.815 176.870 -0.086 0.000 1.182 74 L CA -0.254 54.531 54.840 -0.092 0.000 0.858 74 L CB 0.052 42.064 42.059 -0.079 0.000 1.120 74 L HN 0.461 nan 8.230 nan 0.000 0.474 75 A N 3.206 125.965 122.820 -0.101 0.000 1.883 75 A HA -0.236 4.030 4.320 -0.090 0.000 0.217 75 A C 2.302 179.873 177.584 -0.023 0.000 1.186 75 A CA 1.975 53.973 52.037 -0.066 0.000 0.624 75 A CB -0.428 18.490 19.000 -0.138 0.000 0.822 75 A HN 0.872 nan 8.150 nan 0.000 0.444 76 R N 0.122 120.605 120.500 -0.027 0.000 2.120 76 R HA -0.112 4.174 4.340 -0.090 0.000 0.234 76 R C 2.001 178.317 176.300 0.027 0.000 1.123 76 R CA 1.947 58.065 56.100 0.030 0.000 0.975 76 R CB -0.476 29.884 30.300 0.101 0.000 0.866 76 R HN 0.711 nan 8.270 nan 0.000 0.446 77 E N -0.673 119.527 120.200 0.000 0.000 2.047 77 E HA -0.133 4.163 4.350 -0.090 0.000 0.191 77 E C 1.701 178.300 176.600 -0.001 0.000 0.987 77 E CA 1.481 57.875 56.400 -0.009 0.000 0.799 77 E CB 0.078 29.756 29.700 -0.037 0.000 0.752 77 E HN 0.203 nan 8.360 nan 0.000 0.449 78 V N 0.621 120.532 119.914 -0.004 0.000 2.332 78 V HA -0.271 3.795 4.120 -0.090 0.000 0.248 78 V C 2.458 178.609 176.094 0.094 0.000 1.055 78 V CA 1.895 64.219 62.300 0.040 0.000 1.038 78 V CB -0.666 31.203 31.823 0.076 0.000 0.651 78 V HN 0.312 nan 8.190 nan 0.000 0.450 79 S N 0.522 116.282 115.700 0.099 0.000 2.353 79 S HA -0.235 4.181 4.470 -0.090 0.000 0.222 79 S C 1.937 176.592 174.600 0.091 0.000 1.035 79 S CA 2.015 60.289 58.200 0.124 0.000 1.025 79 S CB -0.464 62.799 63.200 0.105 0.000 0.902 79 S HN 0.668 nan 8.310 nan 0.000 0.440 80 N N 1.197 119.929 118.700 0.053 0.000 2.166 80 N HA -0.037 4.649 4.740 -0.090 0.000 0.186 80 N C 1.684 177.218 175.510 0.040 0.000 1.019 80 N CA 1.167 54.237 53.050 0.033 0.000 0.856 80 N CB -0.256 38.234 38.487 0.006 0.000 0.993 80 N HN 0.546 nan 8.380 nan 0.000 0.426 81 K N -0.422 120.002 120.400 0.040 0.000 2.166 81 K HA 0.183 4.448 4.320 -0.090 0.000 0.201 81 K C 1.430 178.061 176.600 0.052 0.000 1.052 81 K CA 0.427 56.736 56.287 0.036 0.000 0.969 81 K CB 0.538 33.049 32.500 0.018 0.000 0.761 81 K HN 0.078 nan 8.250 nan 0.000 0.459 82 I N 0.101 120.713 120.570 0.070 0.000 2.947 82 I HA -0.076 4.040 4.170 -0.090 0.000 0.263 82 I C 2.092 178.266 176.117 0.096 0.000 1.130 82 I CA 0.815 62.159 61.300 0.073 0.000 1.448 82 I CB -0.394 37.653 38.000 0.079 0.000 1.222 82 I HN -0.170 nan 8.210 nan 0.000 0.453 83 V N 1.134 121.127 119.914 0.133 0.000 2.788 83 V HA 0.128 4.194 4.120 -0.090 0.000 0.251 83 V C 1.465 177.691 176.094 0.221 0.000 1.068 83 V CA 0.808 63.216 62.300 0.181 0.000 1.090 83 V CB -0.866 31.107 31.823 0.251 0.000 0.710 83 V HN 0.381 nan 8.190 nan 0.000 0.467 84 G N -0.460 108.443 108.800 0.172 0.000 2.537 84 G HA2 0.486 4.392 3.960 -0.090 0.000 0.273 84 G HA3 0.486 4.392 3.960 -0.090 0.000 0.273 84 G C -0.901 174.149 174.900 0.249 0.000 1.189 84 G CA -0.016 45.177 45.100 0.154 0.000 0.881 84 G HN 0.513 nan 8.290 nan 0.000 0.535 85 Y N -1.592 118.737 120.300 0.048 0.000 2.689 85 Y HA 0.624 5.119 4.550 -0.091 0.000 0.333 85 Y C -0.493 175.429 175.900 0.037 0.000 1.208 85 Y CA -1.226 56.897 58.100 0.039 0.000 1.055 85 Y CB 1.040 39.525 38.460 0.041 0.000 1.304 85 Y HN 0.320 nan 8.280 nan 0.000 0.455 86 L N 0.698 121.962 121.223 0.068 0.000 2.433 86 L HA 0.268 4.554 4.340 -0.090 0.000 0.200 86 L C -0.050 176.852 176.870 0.053 0.000 1.059 86 L CA 0.931 55.756 54.840 -0.025 0.000 0.835 86 L CB -0.059 42.014 42.059 0.022 0.000 1.076 86 L HN 0.810 nan 8.230 nan 0.000 0.481 87 D N 0.049 120.579 120.400 0.216 0.000 2.339 87 D HA 0.052 4.638 4.640 -0.090 0.000 0.241 87 D C 0.749 177.229 176.300 0.299 0.000 1.183 87 D CA 0.162 54.279 54.000 0.194 0.000 0.859 87 D CB 0.938 41.819 40.800 0.135 0.000 1.067 87 D HN 0.043 nan 8.370 nan 0.000 0.484 88 E N 2.276 122.615 120.200 0.231 0.000 2.511 88 E HA -0.040 4.256 4.350 -0.090 0.000 0.196 88 E C 0.078 176.776 176.600 0.165 0.000 1.066 88 E CA 0.339 56.897 56.400 0.264 0.000 0.871 88 E CB 0.226 30.030 29.700 0.174 0.000 0.863 88 E HN 0.555 nan 8.360 nan 0.000 0.520 89 E N 0.103 120.376 120.200 0.122 0.000 2.373 89 E HA 0.171 4.467 4.350 -0.090 0.000 0.267 89 E C 1.000 177.637 176.600 0.060 0.000 1.032 89 E CA 0.284 56.732 56.400 0.079 0.000 0.889 89 E CB 0.869 30.607 29.700 0.063 0.000 0.984 89 E HN 0.260 nan 8.360 nan 0.000 0.425 90 G N 1.720 110.548 108.800 0.046 0.000 2.166 90 G HA2 -0.331 3.575 3.960 -0.090 0.000 0.260 90 G HA3 -0.331 3.575 3.960 -0.090 0.000 0.260 90 G C 0.818 175.728 174.900 0.017 0.000 0.986 90 G CA 0.716 45.833 45.100 0.027 0.000 0.683 90 G HN 0.526 nan 8.290 nan 0.000 0.527 91 V N -1.861 118.071 119.914 0.031 0.000 3.608 91 V HA 0.550 4.615 4.120 -0.090 0.000 0.269 91 V C 1.399 177.517 176.094 0.041 0.000 1.245 91 V CA 0.317 62.624 62.300 0.012 0.000 1.138 91 V CB -0.187 31.645 31.823 0.015 0.000 0.841 91 V HN 0.380 nan 8.190 nan 0.000 0.451 92 L N 1.467 122.722 121.223 0.054 0.000 2.452 92 L HA 0.358 4.644 4.340 -0.090 0.000 0.267 92 L C 0.346 177.246 176.870 0.051 0.000 1.188 92 L CA 0.008 54.888 54.840 0.066 0.000 0.821 92 L CB 0.231 42.331 42.059 0.069 0.000 1.102 92 L HN 0.143 nan 8.230 nan 0.000 0.470 93 D N 1.605 122.042 120.400 0.062 0.000 2.325 93 D HA 0.013 4.598 4.640 -0.090 0.000 0.251 93 D C 0.677 176.991 176.300 0.023 0.000 1.196 93 D CA -0.190 53.833 54.000 0.038 0.000 0.866 93 D CB 1.360 42.191 40.800 0.051 0.000 1.101 93 D HN 0.395 nan 8.370 nan 0.000 0.476 94 Q N 2.469 122.272 119.800 0.006 0.000 2.291 94 Q HA -0.104 4.182 4.340 -0.090 0.000 0.205 94 Q C 0.645 176.638 176.000 -0.012 0.000 0.970 94 Q CA 0.847 56.651 55.803 0.002 0.000 0.876 94 Q CB 0.030 28.765 28.738 -0.005 0.000 0.935 94 Q HN 0.406 nan 8.270 nan 0.000 0.455 95 N N 0.342 119.019 118.700 -0.038 0.000 2.433 95 N HA 0.064 4.750 4.740 -0.090 0.000 0.270 95 N C -1.190 174.257 175.510 -0.104 0.000 1.354 95 N CA -0.044 52.969 53.050 -0.060 0.000 0.889 95 N CB 0.478 38.922 38.487 -0.072 0.000 1.285 95 N HN -0.162 nan 8.380 nan 0.000 0.503 96 R N 0.279 120.731 120.500 -0.080 0.000 2.533 96 R HA 0.308 4.594 4.340 -0.090 0.000 0.288 96 R C -0.290 176.049 176.300 0.066 0.000 1.039 96 R CA -0.474 55.564 56.100 -0.103 0.000 0.909 96 R CB 1.226 31.334 30.300 -0.321 0.000 1.195 96 R HN 0.295 nan 8.270 nan 0.000 0.438 97 S N 1.916 117.690 115.700 0.124 0.000 2.617 97 S HA 0.192 4.608 4.470 -0.090 0.000 0.259 97 S C 1.372 176.101 174.600 0.213 0.000 1.301 97 S CA -0.732 57.554 58.200 0.143 0.000 0.984 97 S CB 0.712 63.966 63.200 0.091 0.000 0.954 97 S HN 0.662 nan 8.310 nan 0.000 0.572 98 L N 0.090 121.411 121.223 0.164 0.000 2.201 98 L HA -0.010 4.276 4.340 -0.090 0.000 0.212 98 L C 2.190 179.157 176.870 0.161 0.000 1.105 98 L CA 1.041 55.979 54.840 0.164 0.000 0.775 98 L CB -0.556 41.574 42.059 0.118 0.000 0.913 98 L HN 0.821 nan 8.230 nan 0.000 0.440 99 L N -0.828 120.459 121.223 0.106 0.000 2.265 99 L HA -0.225 4.061 4.340 -0.090 0.000 0.215 99 L C 2.133 179.167 176.870 0.274 0.000 1.117 99 L CA 1.462 56.311 54.840 0.015 0.000 0.782 99 L CB -0.627 41.244 42.059 -0.312 0.000 0.914 99 L HN 0.195 nan 8.230 nan 0.000 0.441 100 F N -0.450 119.678 119.950 0.296 0.000 2.102 100 F HA -0.262 4.210 4.527 -0.093 0.000 0.298 100 F C 2.384 178.422 175.800 0.397 0.000 1.105 100 F CA 2.167 60.465 58.000 0.495 0.000 1.239 100 F CB -0.355 38.863 39.000 0.363 0.000 0.991 100 F HN 0.198 nan 8.300 nan 0.000 0.474 101 M N 0.275 119.988 119.600 0.188 0.000 2.067 101 M HA -0.234 4.192 4.480 -0.090 0.000 0.260 101 M C 2.246 178.514 176.300 -0.053 0.000 1.069 101 M CA 1.965 57.267 55.300 0.003 0.000 1.117 101 M CB -1.001 31.659 32.600 0.100 0.000 1.334 101 M HN 0.307 nan 8.290 nan 0.000 0.407 102 Q N -0.106 119.707 119.800 0.023 0.000 2.181 102 Q HA -0.219 4.067 4.340 -0.090 0.000 0.205 102 Q C 1.817 177.792 176.000 -0.042 0.000 0.980 102 Q CA 2.132 57.926 55.803 -0.015 0.000 0.862 102 Q CB -0.817 27.942 28.738 0.037 0.000 0.905 102 Q HN 0.724 nan 8.270 nan 0.000 0.429 103 W N -0.224 120.968 121.300 -0.180 0.000 2.418 103 W HA -0.047 4.558 4.660 -0.091 0.000 0.292 103 W C 1.659 177.888 176.519 -0.484 0.000 1.213 103 W CA 1.281 58.463 57.345 -0.271 0.000 1.283 103 W CB -0.415 28.959 29.460 -0.143 0.000 1.119 103 W HN 0.314 nan 8.180 nan 0.000 0.542 104 G N 0.710 109.232 108.800 -0.464 0.000 2.513 104 G HA2 -0.409 3.497 3.960 -0.090 0.000 0.219 104 G HA3 -0.409 3.497 3.960 -0.090 0.000 0.219 104 G C 1.419 175.939 174.900 -0.633 0.000 1.160 104 G CA 1.356 46.176 45.100 -0.466 0.000 0.767 104 G HN 0.393 nan 8.290 nan 0.000 0.571 105 Q N -0.563 118.897 119.800 -0.567 0.000 2.084 105 Q HA -0.093 4.193 4.340 -0.090 0.000 0.202 105 Q C 2.649 178.201 176.000 -0.747 0.000 0.978 105 Q CA 0.875 56.284 55.803 -0.656 0.000 0.844 105 Q CB -0.126 28.316 28.738 -0.493 0.000 0.898 105 Q HN 0.413 nan 8.270 nan 0.000 0.426 106 I N 0.121 120.303 120.570 -0.647 0.000 2.127 106 I HA -0.256 3.859 4.170 -0.090 0.000 0.241 106 I C 2.409 178.198 176.117 -0.546 0.000 1.075 106 I CA 1.038 61.947 61.300 -0.653 0.000 1.334 106 I CB -1.353 36.108 38.000 -0.898 0.000 1.040 106 I HN 0.111 nan 8.210 nan 0.000 0.405 107 V N 1.200 120.746 119.914 -0.614 0.000 2.287 107 V HA -0.314 3.752 4.120 -0.090 0.000 0.248 107 V C 2.487 178.630 176.094 0.083 0.000 1.053 107 V CA 2.208 64.392 62.300 -0.192 0.000 1.027 107 V CB -0.710 31.117 31.823 0.007 0.000 0.646 107 V HN 0.480 nan 8.190 nan 0.000 0.447 108 D N -0.513 119.836 120.400 -0.084 0.000 2.116 108 D HA -0.263 4.323 4.640 -0.090 0.000 0.193 108 D C 1.953 178.321 176.300 0.114 0.000 0.998 108 D CA 2.114 56.074 54.000 -0.067 0.000 0.836 108 D CB -0.226 40.170 40.800 -0.672 0.000 0.951 108 D HN 0.693 nan 8.370 nan 0.000 0.449 109 H N -0.485 118.512 119.070 -0.121 0.000 2.456 109 H HA -0.088 4.413 4.556 -0.091 0.000 0.296 109 H C 1.762 177.081 175.328 -0.015 0.000 1.079 109 H CA 0.725 56.721 56.048 -0.086 0.000 1.322 109 H CB 0.268 29.962 29.762 -0.114 0.000 1.388 109 H HN 0.207 nan 8.280 nan 0.000 0.538 110 D N 0.557 121.035 120.400 0.129 0.000 2.269 110 D HA -0.079 4.507 4.640 -0.090 0.000 0.208 110 D C 1.857 178.254 176.300 0.160 0.000 0.963 110 D CA 0.590 54.669 54.000 0.131 0.000 0.864 110 D CB 0.367 41.237 40.800 0.118 0.000 0.936 110 D HN 0.391 nan 8.370 nan 0.000 0.505 111 L N -0.095 121.239 121.223 0.185 0.000 2.388 111 L HA 0.151 4.437 4.340 -0.090 0.000 0.209 111 L C 0.242 177.190 176.870 0.130 0.000 1.061 111 L CA 0.349 55.283 54.840 0.157 0.000 0.834 111 L CB 0.252 42.428 42.059 0.195 0.000 1.029 111 L HN -0.039 nan 8.230 nan 0.000 0.473 112 D N -1.266 119.239 120.400 0.175 0.000 2.977 112 D HA 0.262 4.848 4.640 -0.090 0.000 0.220 112 D C -1.584 174.847 176.300 0.218 0.000 1.267 112 D CA -0.350 53.747 54.000 0.162 0.000 0.884 112 D CB 2.720 43.614 40.800 0.156 0.000 1.667 112 D HN -0.246 nan 8.370 nan 0.000 0.536 113 F N 1.384 121.333 119.950 -0.003 0.000 2.557 113 F HA 0.627 5.101 4.527 -0.089 0.000 0.316 113 F C -1.544 174.249 175.800 -0.012 0.000 1.141 113 F CA -1.269 56.712 58.000 -0.033 0.000 0.922 113 F CB 2.049 41.014 39.000 -0.057 0.000 1.194 113 F HN 0.567 nan 8.300 nan 0.000 0.443 114 A N 7.795 130.544 122.820 -0.119 0.000 2.644 114 A HA 0.681 4.947 4.320 -0.090 0.000 0.343 114 A C -2.699 174.571 177.584 -0.522 0.000 1.324 114 A CA -1.515 50.367 52.037 -0.259 0.000 0.846 114 A CB -0.419 18.616 19.000 0.058 0.000 1.128 114 A HN 0.491 nan 8.150 nan 0.000 0.484 115 P HA 0.129 nan 4.420 nan 0.000 0.270 115 P C 0.188 177.320 177.300 -0.280 0.000 1.227 115 P CA 0.115 62.783 63.100 -0.719 0.000 0.788 115 P CB 0.653 31.987 31.700 -0.611 0.000 0.926 116 E N -0.694 119.398 120.200 -0.179 0.000 2.292 116 E HA 0.322 4.618 4.350 -0.090 0.000 0.258 116 E C -0.128 176.430 176.600 -0.070 0.000 1.115 116 E CA -0.611 55.740 56.400 -0.081 0.000 0.929 116 E CB 0.568 30.230 29.700 -0.063 0.000 1.161 116 E HN 0.459 nan 8.360 nan 0.000 0.453 117 T N -1.177 113.368 114.554 -0.014 0.000 2.922 117 T HA 0.214 4.510 4.350 -0.090 0.000 0.285 117 T C 0.423 175.076 174.700 -0.078 0.000 1.005 117 T CA -0.686 61.409 62.100 -0.008 0.000 1.061 117 T CB 1.476 70.398 68.868 0.090 0.000 1.007 117 T HN 0.612 nan 8.240 nan 0.000 0.502 118 E N 0.780 120.938 120.200 -0.071 0.000 3.034 118 E HA 0.206 4.502 4.350 -0.090 0.000 0.237 118 E C 0.014 176.585 176.600 -0.048 0.000 1.117 118 E CA -0.528 55.816 56.400 -0.094 0.000 0.969 118 E CB -0.284 29.349 29.700 -0.112 0.000 2.998 118 E HN 0.365 nan 8.360 nan 0.000 0.581 119 L N 1.160 122.358 121.223 -0.041 0.000 3.717 119 L HA -0.135 4.151 4.340 -0.090 0.000 0.414 119 L C -0.068 176.789 176.870 -0.021 0.000 1.228 119 L CA 1.298 56.125 54.840 -0.022 0.000 0.918 119 L CB -1.365 40.695 42.059 0.002 0.000 1.865 119 L HN 0.673 nan 8.230 nan 0.000 0.922 120 G N -1.776 106.999 108.800 -0.042 0.000 3.948 120 G HA2 0.341 4.247 3.960 -0.090 0.000 0.300 120 G HA3 0.341 4.247 3.960 -0.090 0.000 0.300 120 G C 0.593 175.461 174.900 -0.054 0.000 1.318 120 G CA 0.347 45.422 45.100 -0.042 0.000 0.768 120 G HN 0.144 nan 8.290 nan 0.000 0.504 121 S N 0.425 116.099 115.700 -0.043 0.000 2.537 121 S HA 0.131 4.547 4.470 -0.090 0.000 0.240 121 S C 1.118 175.691 174.600 -0.046 0.000 0.981 121 S CA 1.181 59.354 58.200 -0.045 0.000 0.948 121 S CB -0.075 63.104 63.200 -0.036 0.000 0.759 121 S HN 1.405 nan 8.310 nan 0.000 0.531 122 S N 0.096 115.771 115.700 -0.042 0.000 2.482 122 S HA 0.462 4.878 4.470 -0.090 0.000 0.295 122 S C -1.524 173.063 174.600 -0.021 0.000 1.038 122 S CA -0.763 57.413 58.200 -0.040 0.000 0.968 122 S CB 1.129 64.301 63.200 -0.047 0.000 1.182 122 S HN 0.219 nan 8.310 nan 0.000 0.441 123 E N 1.478 121.676 120.200 -0.004 0.000 2.339 123 E HA 0.565 4.861 4.350 -0.090 0.000 0.262 123 E C -0.301 176.381 176.600 0.137 0.000 0.934 123 E CA -0.645 55.781 56.400 0.044 0.000 0.802 123 E CB 1.516 31.227 29.700 0.019 0.000 1.275 123 E HN 0.781 nan 8.360 nan 0.000 0.427 124 H N -0.291 118.796 119.070 0.029 0.000 3.535 124 H HA 0.192 4.694 4.556 -0.090 0.000 0.260 124 H C 0.849 176.229 175.328 0.087 0.000 1.173 124 H CA 0.482 56.561 56.048 0.051 0.000 1.168 124 H CB 0.958 30.747 29.762 0.045 0.000 1.568 124 H HN 0.381 nan 8.280 nan 0.000 0.602 125 S N 0.363 116.157 115.700 0.156 0.000 2.470 125 S HA -0.049 4.367 4.470 -0.090 0.000 0.222 125 S C 1.904 176.624 174.600 0.201 0.000 1.024 125 S CA 0.253 58.539 58.200 0.142 0.000 0.931 125 S CB 0.085 63.374 63.200 0.149 0.000 0.791 125 S HN 0.404 nan 8.310 nan 0.000 0.513 126 K N 0.702 121.202 120.400 0.167 0.000 2.360 126 K HA -0.017 4.249 4.320 -0.090 0.000 0.201 126 K C 1.274 178.000 176.600 0.210 0.000 1.046 126 K CA 1.325 57.703 56.287 0.152 0.000 0.940 126 K CB -0.025 32.461 32.500 -0.024 0.000 0.748 126 K HN 0.347 nan 8.250 nan 0.000 0.465 127 V N 0.350 120.358 119.914 0.157 0.000 3.523 127 V HA -0.047 4.019 4.120 -0.090 0.000 0.255 127 V C 2.065 178.215 176.094 0.093 0.000 1.226 127 V CA 0.802 63.164 62.300 0.104 0.000 1.092 127 V CB 0.474 32.342 31.823 0.076 0.000 0.817 127 V HN 0.405 nan 8.190 nan 0.000 0.458 128 Q N -1.078 118.802 119.800 0.132 0.000 2.297 128 Q HA -0.193 4.093 4.340 -0.090 0.000 0.204 128 Q C 2.188 178.289 176.000 0.168 0.000 0.962 128 Q CA 2.027 57.951 55.803 0.202 0.000 0.879 128 Q CB -0.195 28.621 28.738 0.130 0.000 0.947 128 Q HN 0.648 nan 8.270 nan 0.000 0.462 129 c N -0.041 118.656 118.600 0.161 0.000 2.505 129 c HA 0.040 4.556 4.570 -0.090 0.000 0.279 129 c C 2.376 176.476 174.090 0.016 0.000 1.316 129 c CA 0.563 56.940 56.329 0.079 0.000 1.720 129 c CB -0.485 42.078 42.510 0.089 0.000 2.050 129 c HN 0.606 nan 8.230 nan 0.000 0.493 130 E N 0.224 120.473 120.200 0.083 0.000 2.008 130 E HA -0.139 4.157 4.350 -0.090 0.000 0.191 130 E C 2.217 178.754 176.600 -0.105 0.000 0.986 130 E CA 1.004 57.411 56.400 0.012 0.000 0.807 130 E CB -0.221 29.546 29.700 0.112 0.000 0.766 130 E HN 0.552 nan 8.360 nan 0.000 0.450 131 E N -0.150 119.945 120.200 -0.176 0.000 2.085 131 E HA -0.174 4.122 4.350 -0.090 0.000 0.194 131 E C 1.671 177.904 176.600 -0.612 0.000 0.994 131 E CA 1.357 57.470 56.400 -0.478 0.000 0.801 131 E CB -0.119 29.132 29.700 -0.749 0.000 0.743 131 E HN 0.451 nan 8.360 nan 0.000 0.453 132 Y N -1.924 118.349 120.300 -0.046 0.000 2.453 132 Y HA 0.196 4.692 4.550 -0.090 0.000 0.247 132 Y C 0.847 176.697 175.900 -0.084 0.000 1.124 132 Y CA -0.313 57.752 58.100 -0.060 0.000 1.243 132 Y CB 0.243 38.671 38.460 -0.053 0.000 1.213 132 Y HN -0.084 nan 8.280 nan 0.000 0.523 133 c N 0.904 119.501 118.600 -0.005 0.000 4.432 133 c HA -0.149 4.367 4.570 -0.090 0.000 0.294 133 c C 0.389 174.439 174.090 -0.066 0.000 1.398 133 c CA -0.808 55.471 56.329 -0.084 0.000 1.988 133 c CB -3.124 39.308 42.510 -0.130 0.000 1.251 133 c HN 0.166 nan 8.230 nan 0.000 0.791 134 V N 1.541 121.447 119.914 -0.015 0.000 2.385 134 V HA 0.268 4.333 4.120 -0.090 0.000 0.269 134 V C 0.558 176.611 176.094 -0.067 0.000 1.043 134 V CA 0.415 62.693 62.300 -0.037 0.000 0.906 134 V CB 1.567 33.389 31.823 -0.002 0.000 0.995 134 V HN 0.600 nan 8.190 nan 0.000 0.467 135 Q N 3.406 123.116 119.800 -0.150 0.000 2.352 135 Q HA 0.542 4.828 4.340 -0.090 0.000 0.260 135 Q C 0.082 175.994 176.000 -0.147 0.000 0.976 135 Q CA 0.486 56.136 55.803 -0.254 0.000 0.881 135 Q CB 1.161 29.578 28.738 -0.535 0.000 1.235 135 Q HN 1.008 nan 8.270 nan 0.000 0.419 136 G N 3.062 111.881 108.800 0.032 0.000 2.226 136 G HA2 0.177 4.083 3.960 -0.090 0.000 0.257 136 G HA3 0.177 4.083 3.960 -0.090 0.000 0.257 136 G C -1.311 173.789 174.900 0.334 0.000 1.732 136 G CA -0.304 44.950 45.100 0.257 0.000 0.914 136 G HN 0.819 nan 8.290 nan 0.000 0.742 137 D N 0.243 120.845 120.400 0.337 0.000 3.245 137 D HA -0.193 4.393 4.640 -0.090 0.000 0.196 137 D C 0.990 177.449 176.300 0.266 0.000 1.370 137 D CA 1.257 55.376 54.000 0.199 0.000 1.087 137 D CB -0.239 40.651 40.800 0.148 0.000 0.612 137 D HN 0.605 nan 8.370 nan 0.000 0.704 138 E N -0.276 120.064 120.200 0.233 0.000 2.485 138 E HA 0.066 4.362 4.350 -0.090 0.000 0.194 138 E C 0.554 177.386 176.600 0.386 0.000 1.098 138 E CA 0.106 56.676 56.400 0.283 0.000 0.878 138 E CB -0.493 29.354 29.700 0.244 0.000 0.939 138 E HN 0.313 nan 8.360 nan 0.000 0.503 139 c N 1.218 120.020 118.600 0.337 0.000 2.265 139 c HA 0.413 4.929 4.570 -0.090 0.000 0.332 139 c C -0.476 173.784 174.090 0.283 0.000 1.248 139 c CA -0.678 55.749 56.329 0.163 0.000 1.727 139 c CB -0.985 41.574 42.510 0.082 0.000 2.348 139 c HN 0.260 nan 8.230 nan 0.000 0.519 140 F N 9.526 129.525 119.950 0.081 0.000 2.710 140 F HA 0.477 4.950 4.527 -0.091 0.000 0.345 140 F C -2.473 173.289 175.800 -0.064 0.000 1.362 140 F CA -3.193 54.863 58.000 0.093 0.000 1.175 140 F CB 0.540 39.760 39.000 0.368 0.000 1.561 140 F HN 0.447 nan 8.300 nan 0.000 0.593 141 P HA 0.164 nan 4.420 nan 0.000 0.269 141 P C -0.069 176.958 177.300 -0.455 0.000 1.209 141 P CA 0.249 63.176 63.100 -0.288 0.000 0.776 141 P CB 1.076 32.624 31.700 -0.253 0.000 0.876 142 I N 3.463 123.772 120.570 -0.435 0.000 2.291 142 I HA 0.143 4.259 4.170 -0.090 0.000 0.292 142 I C 0.758 176.594 176.117 -0.468 0.000 1.064 142 I CA -0.339 60.692 61.300 -0.449 0.000 1.269 142 I CB 0.104 37.894 38.000 -0.349 0.000 1.418 142 I HN 0.091 nan 8.210 nan 0.000 0.485 143 M N 6.222 125.589 119.600 -0.387 0.000 2.233 143 M HA 0.329 4.755 4.480 -0.090 0.000 0.350 143 M C -0.234 175.909 176.300 -0.261 0.000 1.176 143 M CA -0.013 55.066 55.300 -0.370 0.000 1.150 143 M CB 0.070 32.534 32.600 -0.228 0.000 1.530 143 M HN 0.258 nan 8.290 nan 0.000 0.459 144 F N 4.006 123.887 119.950 -0.116 0.000 2.399 144 F HA 0.321 4.794 4.527 -0.091 0.000 0.342 144 F C -1.335 174.417 175.800 -0.081 0.000 1.106 144 F CA -1.677 56.264 58.000 -0.099 0.000 1.196 144 F CB 0.535 39.479 39.000 -0.094 0.000 1.163 144 F HN 0.388 nan 8.300 nan 0.000 0.547 145 P HA 0.061 nan 4.420 nan 0.000 0.276 145 P C -1.144 176.177 177.300 0.035 0.000 1.261 145 P CA -0.804 62.324 63.100 0.046 0.000 0.800 145 P CB 0.788 32.499 31.700 0.018 0.000 1.066 146 K N 1.472 121.878 120.400 0.011 0.000 2.472 146 K HA -0.077 4.189 4.320 -0.090 0.000 0.280 146 K C -0.019 176.574 176.600 -0.011 0.000 1.028 146 K CA 0.486 56.773 56.287 0.000 0.000 1.045 146 K CB -0.995 31.502 32.500 -0.005 0.000 0.902 146 K HN 0.496 nan 8.250 nan 0.000 0.478 147 N N 1.915 120.603 118.700 -0.020 0.000 2.869 147 N HA -0.179 4.507 4.740 -0.090 0.000 0.249 147 N C -1.523 173.954 175.510 -0.054 0.000 1.104 147 N CA 0.729 53.760 53.050 -0.033 0.000 0.760 147 N CB -0.553 37.919 38.487 -0.025 0.000 1.108 147 N HN 0.677 nan 8.380 nan 0.000 0.555 148 D N 0.115 120.470 120.400 -0.076 0.000 2.274 148 D HA 0.210 4.796 4.640 -0.090 0.000 0.239 148 D C -1.598 174.585 176.300 -0.196 0.000 1.104 148 D CA -2.131 51.783 54.000 -0.143 0.000 0.840 148 D CB 1.365 42.056 40.800 -0.182 0.000 1.100 148 D HN -0.060 nan 8.370 nan 0.000 0.477 149 P HA -0.087 nan 4.420 nan 0.000 0.221 149 P C 0.888 178.041 177.300 -0.245 0.000 1.145 149 P CA 0.984 63.981 63.100 -0.172 0.000 0.795 149 P CB 0.367 31.985 31.700 -0.138 0.000 0.775 150 K N -0.796 119.347 120.400 -0.429 0.000 2.288 150 K HA -0.001 4.265 4.320 -0.090 0.000 0.201 150 K C 1.982 178.305 176.600 -0.463 0.000 1.048 150 K CA 0.565 56.510 56.287 -0.570 0.000 0.956 150 K CB -0.522 31.344 32.500 -1.056 0.000 0.746 150 K HN 0.182 nan 8.250 nan 0.000 0.461 151 L N 1.206 122.203 121.223 -0.377 0.000 2.013 151 L HA -0.274 4.012 4.340 -0.090 0.000 0.212 151 L C 2.083 178.918 176.870 -0.058 0.000 1.073 151 L CA 1.628 56.415 54.840 -0.089 0.000 0.753 151 L CB -0.264 41.766 42.059 -0.048 0.000 0.890 151 L HN 0.130 nan 8.230 nan 0.000 0.432 152 K N -1.610 118.737 120.400 -0.088 0.000 2.283 152 K HA -0.097 4.169 4.320 -0.090 0.000 0.202 152 K C 1.607 178.177 176.600 -0.049 0.000 1.048 152 K CA 1.389 57.642 56.287 -0.057 0.000 0.948 152 K CB 0.040 32.504 32.500 -0.061 0.000 0.742 152 K HN 0.227 nan 8.250 nan 0.000 0.458 153 T N -1.116 113.397 114.554 -0.069 0.000 2.969 153 T HA 0.097 4.392 4.350 -0.090 0.000 0.258 153 T C 1.139 175.816 174.700 -0.037 0.000 0.962 153 T CA 0.018 62.087 62.100 -0.053 0.000 0.903 153 T CB 0.644 69.469 68.868 -0.071 0.000 1.177 153 T HN 0.065 nan 8.240 nan 0.000 0.511 154 Q N -0.502 119.278 119.800 -0.034 0.000 2.404 154 Q HA 0.465 4.751 4.340 -0.090 0.000 0.262 154 Q C 0.865 176.906 176.000 0.068 0.000 0.846 154 Q CA 0.362 56.172 55.803 0.012 0.000 0.978 154 Q CB 1.569 30.308 28.738 0.001 0.000 1.156 154 Q HN 0.489 nan 8.270 nan 0.000 0.548 155 G N 0.370 109.242 108.800 0.121 0.000 2.270 155 G HA2 -0.131 3.775 3.960 -0.090 0.000 0.268 155 G HA3 -0.131 3.775 3.960 -0.090 0.000 0.268 155 G C -0.769 174.241 174.900 0.183 0.000 1.312 155 G CA -0.410 44.742 45.100 0.087 0.000 1.050 155 G HN -0.010 nan 8.290 nan 0.000 0.474 156 K N -0.585 119.820 120.400 0.009 0.000 2.361 156 K HA 0.367 4.633 4.320 -0.090 0.000 0.194 156 K C 0.680 176.981 176.600 -0.498 0.000 1.032 156 K CA 1.058 57.308 56.287 -0.061 0.000 1.048 156 K CB 0.180 32.632 32.500 -0.079 0.000 0.842 156 K HN 0.965 nan 8.250 nan 0.000 0.526 157 c N -2.314 115.849 118.600 -0.728 0.000 3.314 157 c HA 0.603 5.119 4.570 -0.090 0.000 0.344 157 c C -1.290 172.276 174.090 -0.874 0.000 1.461 157 c CA -1.413 54.269 56.329 -1.078 0.000 1.249 157 c CB 0.856 43.031 42.510 -0.558 0.000 1.632 157 c HN -0.001 nan 8.230 nan 0.000 0.452 158 M N 2.942 122.129 119.600 -0.689 0.000 2.294 158 M HA 0.519 4.945 4.480 -0.090 0.000 0.335 158 M C -2.429 173.723 176.300 -0.246 0.000 1.079 158 M CA -1.519 53.525 55.300 -0.428 0.000 0.982 158 M CB 2.357 34.785 32.600 -0.286 0.000 1.651 158 M HN 0.606 nan 8.290 nan 0.000 0.437 159 P HA 0.275 nan 4.420 nan 0.000 0.272 159 P C -1.343 175.915 177.300 -0.071 0.000 1.230 159 P CA -0.021 62.965 63.100 -0.190 0.000 0.788 159 P CB 0.717 32.324 31.700 -0.155 0.000 0.949 160 F N 1.700 121.338 119.950 -0.521 0.000 2.639 160 F HA 0.483 4.956 4.527 -0.090 0.000 0.326 160 F C -2.103 173.382 175.800 -0.526 0.000 1.150 160 F CA -0.816 56.987 58.000 -0.327 0.000 1.057 160 F CB 0.918 39.792 39.000 -0.210 0.000 1.300 160 F HN 0.065 nan 8.300 nan 0.000 0.486 161 F N 5.038 124.883 119.950 -0.175 0.000 2.482 161 F HA 0.618 5.090 4.527 -0.090 0.000 0.331 161 F C 0.491 176.216 175.800 -0.125 0.000 1.115 161 F CA -0.872 57.115 58.000 -0.021 0.000 0.955 161 F CB 1.635 40.619 39.000 -0.027 0.000 1.136 161 F HN 0.289 nan 8.300 nan 0.000 0.452 162 R N 1.391 122.066 120.500 0.292 0.000 2.734 162 R HA 0.432 4.718 4.340 -0.090 0.000 0.266 162 R C 0.033 176.426 176.300 0.156 0.000 1.044 162 R CA -0.341 55.922 56.100 0.271 0.000 1.128 162 R CB 0.422 30.866 30.300 0.241 0.000 1.010 162 R HN 0.764 nan 8.270 nan 0.000 0.461 163 A N 1.695 124.606 122.820 0.152 0.000 2.462 163 A HA 0.337 4.603 4.320 -0.090 0.000 0.243 163 A C 0.723 178.365 177.584 0.095 0.000 1.076 163 A CA 0.107 52.196 52.037 0.087 0.000 0.773 163 A CB 0.264 19.325 19.000 0.102 0.000 1.010 163 A HN 0.790 nan 8.150 nan 0.000 0.493 164 G N -0.167 108.663 108.800 0.050 0.000 2.732 164 G HA2 0.466 4.372 3.960 -0.090 0.000 0.244 164 G HA3 0.466 4.372 3.960 -0.090 0.000 0.244 164 G C -0.343 174.676 174.900 0.200 0.000 1.226 164 G CA 0.473 45.630 45.100 0.096 0.000 0.860 164 G HN 1.482 nan 8.290 nan 0.000 0.583 165 F N -1.627 118.261 119.950 -0.103 0.000 2.713 165 F HA 0.610 5.083 4.527 -0.090 0.000 0.311 165 F C -0.043 175.696 175.800 -0.102 0.000 1.141 165 F CA -1.505 56.429 58.000 -0.110 0.000 0.939 165 F CB 0.241 39.174 39.000 -0.113 0.000 1.325 165 F HN 0.645 nan 8.300 nan 0.000 0.453 166 V N -1.252 118.599 119.914 -0.105 0.000 3.751 166 V HA 0.396 4.462 4.120 -0.090 0.000 0.279 166 V C 1.157 177.078 176.094 -0.289 0.000 1.010 166 V CA -0.326 61.859 62.300 -0.192 0.000 1.015 166 V CB -0.053 31.722 31.823 -0.080 0.000 1.240 166 V HN 1.517 nan 8.190 nan 0.000 0.438 167 c N -2.180 116.292 118.600 -0.213 0.000 0.181 167 c HA -0.203 4.313 4.570 -0.090 0.000 0.017 167 c C -0.673 173.237 174.090 -0.301 0.000 0.173 167 c CA 1.114 57.296 56.329 -0.245 0.000 0.500 167 c CB -3.164 39.148 42.510 -0.330 0.000 3.212 167 c HN 1.054 nan 8.230 nan 0.000 1.118 168 P HA 0.118 nan 4.420 nan 0.000 0.327 168 P C 0.872 177.910 177.300 -0.436 0.000 1.414 168 P CA 2.023 64.958 63.100 -0.276 0.000 0.823 168 P CB 0.069 31.753 31.700 -0.026 0.000 1.899 169 T N -3.955 110.407 114.554 -0.320 0.000 3.100 169 T HA 0.246 4.542 4.350 -0.090 0.000 0.255 169 T C -2.283 172.388 174.700 -0.048 0.000 0.893 169 T CA -0.174 61.728 62.100 -0.329 0.000 0.882 169 T CB -1.219 67.548 68.868 -0.168 0.000 1.266 169 T HN 0.115 nan 8.240 nan 0.000 0.528 170 P HA 0.153 nan 4.420 nan 0.000 0.269 170 P C -2.012 175.498 177.300 0.350 0.000 1.211 170 P CA -0.780 62.443 63.100 0.205 0.000 0.781 170 P CB 0.356 32.126 31.700 0.116 0.000 0.877 171 P HA -0.186 nan 4.420 nan 0.000 0.215 171 P C -0.115 177.259 177.300 0.123 0.000 1.163 171 P CA 1.433 64.575 63.100 0.070 0.000 0.894 171 P CB -0.221 31.452 31.700 -0.044 0.000 0.791 172 Y N -2.643 117.674 120.300 0.028 0.000 2.618 172 Y HA -0.278 4.218 4.550 -0.090 0.000 0.347 172 Y C 0.109 175.988 175.900 -0.034 0.000 1.280 172 Y CA 0.660 58.773 58.100 0.021 0.000 1.511 172 Y CB -1.056 37.470 38.460 0.110 0.000 2.396 172 Y HN 0.200 nan 8.280 nan 0.000 0.434 173 Q N 0.315 120.409 119.800 0.490 0.000 4.242 173 Q HA 0.371 4.657 4.340 -0.090 0.000 0.107 173 Q C -1.206 174.920 176.000 0.210 0.000 0.810 173 Q CA 0.456 56.379 55.803 0.200 0.000 0.895 173 Q CB 0.281 29.059 28.738 0.066 0.000 1.499 173 Q HN 0.725 nan 8.270 nan 0.000 0.489 174 S N 0.970 116.730 115.700 0.101 0.000 4.355 174 S HA 0.622 5.038 4.470 -0.090 0.000 0.201 174 S C 0.253 174.749 174.600 -0.173 0.000 1.044 174 S CA -0.334 57.913 58.200 0.079 0.000 1.777 174 S CB 0.412 63.644 63.200 0.053 0.000 0.797 174 S HN 0.452 nan 8.310 nan 0.000 0.774 175 L N 1.942 122.983 121.223 -0.303 0.000 2.461 175 L HA 0.487 4.773 4.340 -0.090 0.000 0.259 175 L C 0.757 177.299 176.870 -0.546 0.000 1.248 175 L CA 0.244 54.644 54.840 -0.733 0.000 0.823 175 L CB 0.075 41.955 42.059 -0.299 0.000 1.111 175 L HN 0.730 nan 8.230 nan 0.000 0.516 176 A N 1.702 124.191 122.820 -0.551 0.000 2.507 176 A HA 0.139 4.405 4.320 -0.090 0.000 0.235 176 A C 0.099 177.585 177.584 -0.162 0.000 1.070 176 A CA -0.159 51.708 52.037 -0.282 0.000 0.768 176 A CB -0.048 18.877 19.000 -0.124 0.000 1.011 176 A HN 0.729 nan 8.150 nan 0.000 0.502 177 R N 1.272 121.665 120.500 -0.178 0.000 2.484 177 R HA 0.137 4.423 4.340 -0.090 0.000 0.293 177 R C -1.307 175.004 176.300 0.018 0.000 1.023 177 R CA 0.419 56.423 56.100 -0.160 0.000 1.037 177 R CB 0.139 30.169 30.300 -0.450 0.000 0.951 177 R HN 0.659 nan 8.270 nan 0.000 0.418 178 D N 3.752 124.177 120.400 0.042 0.000 2.391 178 D HA 0.164 4.750 4.640 -0.090 0.000 0.245 178 D C -0.572 175.764 176.300 0.059 0.000 1.069 178 D CA -0.527 53.505 54.000 0.054 0.000 0.831 178 D CB 1.865 42.688 40.800 0.038 0.000 1.204 178 D HN 0.479 nan 8.370 nan 0.000 0.503 179 Q N 0.727 120.519 119.800 -0.013 0.000 2.368 179 Q HA 0.414 4.700 4.340 -0.090 0.000 0.237 179 Q C 0.164 176.145 176.000 -0.032 0.000 0.987 179 Q CA -0.088 55.674 55.803 -0.069 0.000 0.896 179 Q CB 1.254 29.785 28.738 -0.345 0.000 1.241 179 Q HN 0.411 nan 8.270 nan 0.000 0.485 180 I N 1.108 121.649 120.570 -0.049 0.000 2.566 180 I HA 0.263 4.379 4.170 -0.090 0.000 0.303 180 I C -0.065 176.019 176.117 -0.056 0.000 0.983 180 I CA -0.854 60.411 61.300 -0.058 0.000 1.235 180 I CB 1.232 39.176 38.000 -0.094 0.000 1.386 180 I HN 0.486 nan 8.210 nan 0.000 0.494 181 N N 3.457 122.136 118.700 -0.035 0.000 2.511 181 N HA 0.385 5.071 4.740 -0.090 0.000 0.249 181 N C 0.158 175.666 175.510 -0.005 0.000 0.971 181 N CA -0.364 52.678 53.050 -0.013 0.000 0.938 181 N CB 1.742 40.228 38.487 -0.002 0.000 1.131 181 N HN 0.707 nan 8.380 nan 0.000 0.505 182 A N 2.462 125.280 122.820 -0.003 0.000 2.238 182 A HA 0.156 4.422 4.320 -0.090 0.000 0.208 182 A C 0.699 178.342 177.584 0.098 0.000 1.177 182 A CA 0.563 52.615 52.037 0.026 0.000 0.804 182 A CB -0.306 18.689 19.000 -0.009 0.000 0.823 182 A HN 0.507 nan 8.150 nan 0.000 0.482 183 V N -3.166 116.815 119.914 0.112 0.000 3.113 183 V HA 0.747 4.813 4.120 -0.090 0.000 0.316 183 V C 0.103 176.247 176.094 0.083 0.000 1.125 183 V CA -0.250 62.120 62.300 0.116 0.000 1.026 183 V CB 1.018 32.924 31.823 0.138 0.000 1.080 183 V HN 0.365 nan 8.190 nan 0.000 0.444 184 T N -0.314 114.302 114.554 0.104 0.000 2.901 184 T HA 0.237 4.533 4.350 -0.090 0.000 0.301 184 T C 1.003 175.706 174.700 0.006 0.000 1.012 184 T CA 0.468 62.621 62.100 0.088 0.000 1.135 184 T CB 0.923 69.922 68.868 0.218 0.000 0.936 184 T HN 0.845 nan 8.240 nan 0.000 0.539 185 S N 1.694 117.276 115.700 -0.197 0.000 2.447 185 S HA 0.104 4.520 4.470 -0.090 0.000 0.233 185 S C 0.306 174.760 174.600 -0.243 0.000 1.006 185 S CA 0.362 58.390 58.200 -0.287 0.000 0.957 185 S CB -0.534 62.415 63.200 -0.418 0.000 0.773 185 S HN 0.691 nan 8.310 nan 0.000 0.507 186 F N 1.184 121.219 119.950 0.142 0.000 2.418 186 F HA 0.294 4.767 4.527 -0.091 0.000 0.341 186 F C 0.551 176.484 175.800 0.222 0.000 1.120 186 F CA -0.886 57.233 58.000 0.198 0.000 1.232 186 F CB 0.251 39.379 39.000 0.213 0.000 1.175 186 F HN -0.045 nan 8.300 nan 0.000 0.569 187 L N 3.823 125.332 121.223 0.478 0.000 2.385 187 L HA 0.140 4.426 4.340 -0.090 0.000 0.285 187 L C -0.303 176.793 176.870 0.376 0.000 1.125 187 L CA 0.094 55.186 54.840 0.420 0.000 0.890 187 L CB -0.343 42.038 42.059 0.537 0.000 1.251 187 L HN 0.790 nan 8.230 nan 0.000 0.445 188 D N 2.225 122.815 120.400 0.316 0.000 2.602 188 D HA 0.129 4.715 4.640 -0.090 0.000 0.265 188 D C 0.618 177.074 176.300 0.259 0.000 1.454 188 D CA 0.258 54.419 54.000 0.268 0.000 0.795 188 D CB 0.460 41.413 40.800 0.256 0.000 1.140 188 D HN 0.354 nan 8.370 nan 0.000 0.486 189 A N 0.823 123.797 122.820 0.258 0.000 2.872 189 A HA -0.258 4.008 4.320 -0.090 0.000 0.273 189 A C 1.806 179.556 177.584 0.277 0.000 1.442 189 A CA 1.235 53.424 52.037 0.254 0.000 0.801 189 A CB -2.634 16.571 19.000 0.341 0.000 1.031 189 A HN 0.847 nan 8.150 nan 0.000 0.582 190 S N -0.429 115.412 115.700 0.236 0.000 2.442 190 S HA -0.126 4.290 4.470 -0.090 0.000 0.236 190 S C 1.740 176.432 174.600 0.154 0.000 1.007 190 S CA 1.333 59.661 58.200 0.215 0.000 0.965 190 S CB -0.832 62.481 63.200 0.189 0.000 0.773 190 S HN 1.828 nan 8.310 nan 0.000 0.504 191 L N -0.691 120.603 121.223 0.119 0.000 2.376 191 L HA 0.208 4.494 4.340 -0.090 0.000 0.219 191 L C 1.797 178.730 176.870 0.105 0.000 1.133 191 L CA 0.696 55.606 54.840 0.117 0.000 0.816 191 L CB -0.300 41.820 42.059 0.101 0.000 0.933 191 L HN 0.195 nan 8.230 nan 0.000 0.449 192 V N -0.923 118.964 119.914 -0.045 0.000 2.949 192 V HA -0.036 4.030 4.120 -0.090 0.000 0.245 192 V C 1.702 177.564 176.094 -0.387 0.000 1.086 192 V CA 0.997 63.132 62.300 -0.275 0.000 1.097 192 V CB -0.313 31.123 31.823 -0.645 0.000 0.762 192 V HN 0.408 nan 8.190 nan 0.000 0.470 193 Y N 0.540 120.874 120.300 0.056 0.000 2.507 193 Y HA 0.556 5.046 4.550 -0.100 0.000 0.263 193 Y C 1.374 177.314 175.900 0.067 0.000 1.093 193 Y CA 0.594 58.730 58.100 0.059 0.000 1.285 193 Y CB 0.616 39.113 38.460 0.063 0.000 1.115 193 Y HN 0.316 nan 8.280 nan 0.000 0.533 194 G N -0.252 108.655 108.800 0.179 0.000 2.619 194 G HA2 -0.135 3.771 3.960 -0.090 0.000 0.686 194 G HA3 -0.135 3.771 3.960 -0.090 0.000 0.686 194 G C 0.097 175.082 174.900 0.142 0.000 1.256 194 G CA -0.231 44.947 45.100 0.129 0.000 0.826 194 G HN -0.018 nan 8.290 nan 0.000 0.619 195 S N 0.138 115.906 115.700 0.113 0.000 2.603 195 S HA 0.312 4.728 4.470 -0.090 0.000 0.232 195 S C 0.413 175.065 174.600 0.087 0.000 1.016 195 S CA 0.607 58.874 58.200 0.111 0.000 0.976 195 S CB 0.406 63.672 63.200 0.110 0.000 0.921 195 S HN 0.607 nan 8.310 nan 0.000 0.516 196 E N 0.951 121.195 120.200 0.074 0.000 2.288 196 E HA 0.295 4.591 4.350 -0.090 0.000 0.268 196 E C -2.355 174.273 176.600 0.047 0.000 0.885 196 E CA -2.307 54.125 56.400 0.054 0.000 0.767 196 E CB 1.611 31.336 29.700 0.041 0.000 1.220 196 E HN -0.172 nan 8.360 nan 0.000 0.427 197 P HA -0.201 nan 4.420 nan 0.000 0.218 197 P C 1.212 178.517 177.300 0.009 0.000 1.149 197 P CA 1.282 64.394 63.100 0.020 0.000 0.817 197 P CB 0.207 31.914 31.700 0.013 0.000 0.785 198 S N -0.360 115.346 115.700 0.010 0.000 2.355 198 S HA -0.129 4.287 4.470 -0.090 0.000 0.222 198 S C 1.907 176.511 174.600 0.006 0.000 1.031 198 S CA 1.009 59.211 58.200 0.003 0.000 0.993 198 S CB -1.659 61.543 63.200 0.004 0.000 0.859 198 S HN 0.044 nan 8.310 nan 0.000 0.453 199 L N 2.259 123.493 121.223 0.018 0.000 2.056 199 L HA 0.254 4.540 4.340 -0.090 0.000 0.207 199 L C 2.605 179.491 176.870 0.026 0.000 1.078 199 L CA 1.617 56.470 54.840 0.022 0.000 0.749 199 L CB -1.222 40.856 42.059 0.032 0.000 0.901 199 L HN 0.327 nan 8.230 nan 0.000 0.433 200 A N -1.164 121.682 122.820 0.042 0.000 1.940 200 A HA -0.241 4.025 4.320 -0.090 0.000 0.219 200 A C 2.544 180.130 177.584 0.002 0.000 1.176 200 A CA 2.006 54.082 52.037 0.064 0.000 0.631 200 A CB -1.127 17.925 19.000 0.087 0.000 0.814 200 A HN 0.585 nan 8.150 nan 0.000 0.446 201 S N -1.149 114.533 115.700 -0.030 0.000 2.436 201 S HA -0.086 4.330 4.470 -0.090 0.000 0.228 201 S C 2.094 176.661 174.600 -0.055 0.000 1.014 201 S CA 0.996 59.153 58.200 -0.072 0.000 0.950 201 S CB -0.357 62.805 63.200 -0.063 0.000 0.784 201 S HN 0.572 nan 8.310 nan 0.000 0.504 202 R N 0.188 120.672 120.500 -0.027 0.000 2.153 202 R HA 0.193 4.478 4.340 -0.090 0.000 0.218 202 R C 1.825 178.112 176.300 -0.022 0.000 1.072 202 R CA 0.784 56.871 56.100 -0.020 0.000 0.990 202 R CB -0.201 30.095 30.300 -0.007 0.000 0.889 202 R HN 0.455 nan 8.270 nan 0.000 0.452 203 L N 0.237 121.449 121.223 -0.019 0.000 2.478 203 L HA 0.038 4.324 4.340 -0.090 0.000 0.223 203 L C 0.750 177.600 176.870 -0.033 0.000 1.140 203 L CA 0.482 55.308 54.840 -0.023 0.000 0.842 203 L CB -0.050 42.007 42.059 -0.004 0.000 0.953 203 L HN 0.012 nan 8.230 nan 0.000 0.452 204 R N 0.527 120.997 120.500 -0.049 0.000 2.500 204 R HA 0.136 4.422 4.340 -0.090 0.000 0.275 204 R C 0.071 176.342 176.300 -0.050 0.000 1.051 204 R CA -0.567 55.492 56.100 -0.068 0.000 1.088 204 R CB 0.498 30.691 30.300 -0.179 0.000 1.063 204 R HN -0.122 nan 8.270 nan 0.000 0.511 205 N N 2.938 121.622 118.700 -0.026 0.000 2.602 205 N HA 0.076 4.762 4.740 -0.090 0.000 0.238 205 N C 0.053 175.553 175.510 -0.015 0.000 1.084 205 N CA -0.005 53.040 53.050 -0.009 0.000 0.952 205 N CB 0.488 38.986 38.487 0.018 0.000 1.244 205 N HN 0.536 nan 8.380 nan 0.000 0.512 206 L N 1.300 122.505 121.223 -0.029 0.000 2.611 206 L HA 0.141 4.427 4.340 -0.090 0.000 0.229 206 L C 1.441 178.303 176.870 -0.013 0.000 1.137 206 L CA 0.032 54.852 54.840 -0.034 0.000 0.901 206 L CB 0.098 42.127 42.059 -0.050 0.000 1.098 206 L HN 0.329 nan 8.230 nan 0.000 0.456 207 S N -0.484 115.215 115.700 -0.002 0.000 2.489 207 S HA 0.023 4.439 4.470 -0.090 0.000 0.228 207 S C 0.804 175.412 174.600 0.012 0.000 0.995 207 S CA 0.269 58.472 58.200 0.006 0.000 0.934 207 S CB 0.061 63.268 63.200 0.012 0.000 0.771 207 S HN 0.532 nan 8.310 nan 0.000 0.522 208 S N 0.582 116.291 115.700 0.016 0.000 2.549 208 S HA 0.492 4.908 4.470 -0.090 0.000 0.280 208 S C -3.107 171.509 174.600 0.027 0.000 1.109 208 S CA -1.486 56.728 58.200 0.024 0.000 0.905 208 S CB 1.567 64.785 63.200 0.030 0.000 1.081 208 S HN -0.140 nan 8.310 nan 0.000 0.477 209 P HA 0.215 nan 4.420 nan 0.000 0.269 209 P C 0.123 177.457 177.300 0.056 0.000 1.461 209 P CA 0.202 63.326 63.100 0.039 0.000 0.809 209 P CB -0.485 31.240 31.700 0.042 0.000 1.503 210 L N -2.054 119.205 121.223 0.061 0.000 2.667 210 L HA 0.355 4.640 4.340 -0.090 0.000 0.232 210 L C 1.372 178.307 176.870 0.107 0.000 1.138 210 L CA 0.151 55.036 54.840 0.076 0.000 0.921 210 L CB -0.686 41.411 42.059 0.063 0.000 1.180 210 L HN 0.062 nan 8.230 nan 0.000 0.487 211 G N 1.382 110.255 108.800 0.122 0.000 2.305 211 G HA2 -0.276 3.630 3.960 -0.090 0.000 0.287 211 G HA3 -0.276 3.630 3.960 -0.090 0.000 0.287 211 G C 0.041 175.140 174.900 0.332 0.000 1.036 211 G CA 0.235 45.462 45.100 0.211 0.000 0.887 211 G HN 0.276 nan 8.290 nan 0.000 0.505 212 L N -0.468 120.891 121.223 0.228 0.000 2.375 212 L HA 0.666 4.951 4.340 -0.090 0.000 0.268 212 L C 0.989 177.943 176.870 0.141 0.000 1.058 212 L CA -1.303 53.676 54.840 0.233 0.000 0.803 212 L CB 1.002 43.139 42.059 0.129 0.000 1.212 212 L HN 0.031 nan 8.230 nan 0.000 0.451 213 M N 1.251 120.884 119.600 0.055 0.000 2.314 213 M HA 0.361 4.787 4.480 -0.090 0.000 0.342 213 M C 0.153 176.432 176.300 -0.035 0.000 1.171 213 M CA -0.539 54.731 55.300 -0.050 0.000 1.098 213 M CB 1.283 33.781 32.600 -0.171 0.000 1.559 213 M HN 0.660 nan 8.290 nan 0.000 0.459 214 A N 2.702 125.493 122.820 -0.049 0.000 2.498 214 A HA 0.472 4.738 4.320 -0.090 0.000 0.239 214 A C 0.070 177.591 177.584 -0.104 0.000 1.068 214 A CA -0.464 51.540 52.037 -0.055 0.000 0.766 214 A CB -0.064 18.906 19.000 -0.050 0.000 1.003 214 A HN 0.781 nan 8.150 nan 0.000 0.497 215 V N 1.056 120.896 119.914 -0.123 0.000 2.919 215 V HA 0.522 4.588 4.120 -0.090 0.000 0.316 215 V C 0.103 176.031 176.094 -0.276 0.000 1.077 215 V CA -1.169 60.989 62.300 -0.237 0.000 0.977 215 V CB 1.433 33.077 31.823 -0.299 0.000 1.039 215 V HN 0.957 nan 8.190 nan 0.000 0.441 216 N N 1.782 120.236 118.700 -0.410 0.000 2.458 216 N HA 0.081 4.767 4.740 -0.090 0.000 0.258 216 N C 0.681 175.976 175.510 -0.358 0.000 1.219 216 N CA -0.133 52.652 53.050 -0.441 0.000 0.902 216 N CB 0.660 38.762 38.487 -0.642 0.000 1.076 216 N HN 0.748 nan 8.380 nan 0.000 0.455 217 Q N 1.592 121.298 119.800 -0.156 0.000 2.319 217 Q HA 0.013 4.299 4.340 -0.090 0.000 0.202 217 Q C 0.355 176.432 176.000 0.129 0.000 0.896 217 Q CA 0.547 56.379 55.803 0.048 0.000 0.942 217 Q CB 0.626 29.409 28.738 0.074 0.000 1.083 217 Q HN 0.683 nan 8.270 nan 0.000 0.510 218 E N 0.181 120.412 120.200 0.051 0.000 2.389 218 E HA 0.244 4.540 4.350 -0.090 0.000 0.199 218 E C -0.344 176.373 176.600 0.195 0.000 0.978 218 E CA 0.188 56.685 56.400 0.161 0.000 0.912 218 E CB 0.908 30.758 29.700 0.250 0.000 0.907 218 E HN 0.204 nan 8.360 nan 0.000 0.494 219 A N -0.394 122.458 122.820 0.053 0.000 2.515 219 A HA 0.690 4.955 4.320 -0.090 0.000 0.298 219 A C -1.830 175.740 177.584 -0.024 0.000 1.059 219 A CA -0.659 51.485 52.037 0.178 0.000 0.698 219 A CB 0.837 19.973 19.000 0.226 0.000 1.289 219 A HN 0.135 nan 8.150 nan 0.000 0.404 220 W N -0.003 121.416 121.300 0.198 0.000 3.033 220 W HA 0.546 5.150 4.660 -0.093 0.000 0.336 220 W C -0.986 175.487 176.519 -0.077 0.000 1.173 220 W CA -0.014 57.319 57.345 -0.020 0.000 1.185 220 W CB 2.030 31.468 29.460 -0.037 0.000 1.425 220 W HN 0.657 nan 8.180 nan 0.000 0.536 221 D N 1.279 121.607 120.400 -0.121 0.000 2.460 221 D HA 0.189 4.774 4.640 -0.090 0.000 0.268 221 D C 0.138 176.554 176.300 0.194 0.000 1.153 221 D CA 0.022 53.990 54.000 -0.053 0.000 0.929 221 D CB -0.382 40.171 40.800 -0.412 0.000 1.015 221 D HN 0.539 nan 8.370 nan 0.000 0.502 222 H N 2.118 121.262 119.070 0.123 0.000 2.756 222 H HA -0.188 4.314 4.556 -0.090 0.000 0.315 222 H C 1.169 176.590 175.328 0.154 0.000 1.210 222 H CA 0.936 57.074 56.048 0.149 0.000 1.150 222 H CB -1.273 28.622 29.762 0.223 0.000 1.463 222 H HN 0.753 nan 8.280 nan 0.000 0.427 223 G N -0.601 108.317 108.800 0.196 0.000 2.179 223 G HA2 -0.309 3.597 3.960 -0.090 0.000 0.260 223 G HA3 -0.309 3.597 3.960 -0.090 0.000 0.260 223 G C 0.246 175.315 174.900 0.282 0.000 0.977 223 G CA 0.473 45.651 45.100 0.130 0.000 0.641 223 G HN 0.442 nan 8.290 nan 0.000 0.533 224 L N 0.224 121.603 121.223 0.260 0.000 2.330 224 L HA 0.832 5.117 4.340 -0.090 0.000 0.271 224 L C 0.882 177.700 176.870 -0.088 0.000 1.013 224 L CA -0.706 54.190 54.840 0.093 0.000 0.816 224 L CB 1.816 43.807 42.059 -0.113 0.000 1.287 224 L HN 0.248 nan 8.230 nan 0.000 0.435 225 A N 1.527 124.189 122.820 -0.264 0.000 2.287 225 A HA 0.580 4.846 4.320 -0.090 0.000 0.273 225 A C -1.140 176.021 177.584 -0.704 0.000 1.091 225 A CA -0.001 51.623 52.037 -0.687 0.000 0.817 225 A CB 0.332 19.032 19.000 -0.501 0.000 1.069 225 A HN 0.601 nan 8.150 nan 0.000 0.492 226 Y N -0.162 119.761 120.300 -0.627 0.000 2.587 226 Y HA 0.453 4.950 4.550 -0.089 0.000 0.337 226 Y C -2.050 173.448 175.900 -0.670 0.000 1.065 226 Y CA -2.354 55.369 58.100 -0.629 0.000 1.126 226 Y CB 1.917 40.007 38.460 -0.616 0.000 1.279 226 Y HN 0.447 nan 8.280 nan 0.000 0.489 227 P HA 0.117 nan 4.420 nan 0.000 0.274 227 P C -2.646 174.395 177.300 -0.431 0.000 1.246 227 P CA -1.157 61.644 63.100 -0.500 0.000 0.795 227 P CB 0.102 31.471 31.700 -0.553 0.000 1.006 228 P HA -0.013 nan 4.420 nan 0.000 0.267 228 P C -0.438 176.867 177.300 0.009 0.000 1.201 228 P CA 0.719 63.722 63.100 -0.161 0.000 0.775 228 P CB 0.071 31.731 31.700 -0.066 0.000 0.854 229 F N 1.317 121.319 119.950 0.086 0.000 2.429 229 F HA 0.166 4.640 4.527 -0.089 0.000 0.348 229 F C 1.427 177.269 175.800 0.070 0.000 1.109 229 F CA -0.321 57.749 58.000 0.117 0.000 1.232 229 F CB -0.242 38.804 39.000 0.078 0.000 1.157 229 F HN 0.190 nan 8.300 nan 0.000 0.564 230 N N 2.977 121.847 118.700 0.283 0.000 2.482 230 N HA 0.018 4.704 4.740 -0.090 0.000 0.242 230 N C -0.159 175.415 175.510 0.106 0.000 1.100 230 N CA 0.070 53.206 53.050 0.144 0.000 0.946 230 N CB -0.328 38.221 38.487 0.102 0.000 1.227 230 N HN 0.355 nan 8.380 nan 0.000 0.508 231 N N 2.556 121.316 118.700 0.098 0.000 2.410 231 N HA 0.049 4.734 4.740 -0.090 0.000 0.231 231 N C -0.720 174.809 175.510 0.031 0.000 1.172 231 N CA 0.072 53.161 53.050 0.064 0.000 0.849 231 N CB 0.324 38.860 38.487 0.081 0.000 1.116 231 N HN 0.264 nan 8.380 nan 0.000 0.485 232 V N 1.155 121.083 119.914 0.023 0.000 2.407 232 V HA 0.205 4.271 4.120 -0.090 0.000 0.278 232 V C 0.461 176.553 176.094 -0.003 0.000 1.037 232 V CA -0.490 61.814 62.300 0.007 0.000 0.900 232 V CB 1.506 33.331 31.823 0.003 0.000 0.983 232 V HN -0.001 nan 8.190 nan 0.000 0.459 233 K N 5.406 125.802 120.400 -0.007 0.000 2.156 233 K HA 0.596 4.862 4.320 -0.090 0.000 0.254 233 K C -2.288 174.301 176.600 -0.018 0.000 0.950 233 K CA -1.493 54.789 56.287 -0.008 0.000 0.849 233 K CB 1.600 34.098 32.500 -0.003 0.000 1.100 233 K HN 0.529 nan 8.250 nan 0.000 0.434 234 P HA 0.101 nan 4.420 nan 0.000 0.282 234 P C -0.919 176.370 177.300 -0.018 0.000 1.249 234 P CA -0.467 62.628 63.100 -0.009 0.000 0.806 234 P CB 1.372 33.065 31.700 -0.012 0.000 0.984 235 S N 2.066 117.770 115.700 0.008 0.000 2.462 235 S HA 0.421 4.837 4.470 -0.090 0.000 0.294 235 S C -1.666 172.952 174.600 0.031 0.000 1.144 235 S CA -1.644 56.558 58.200 0.003 0.000 1.088 235 S CB 0.853 64.054 63.200 0.001 0.000 1.009 235 S HN 0.172 nan 8.310 nan 0.000 0.484 236 P HA 0.033 nan 4.420 nan 0.000 0.217 236 P C 1.129 178.497 177.300 0.114 0.000 1.150 236 P CA 0.866 63.957 63.100 -0.015 0.000 0.832 236 P CB -0.070 31.414 31.700 -0.360 0.000 0.787 237 c N -0.612 118.055 118.600 0.110 0.000 2.446 237 c HA -0.014 4.502 4.570 -0.090 0.000 0.279 237 c C 2.515 176.650 174.090 0.075 0.000 1.366 237 c CA 0.573 56.972 56.329 0.116 0.000 1.763 237 c CB -1.509 41.026 42.510 0.043 0.000 1.929 237 c HN 0.332 nan 8.230 nan 0.000 0.509 238 E N 0.071 120.302 120.200 0.052 0.000 2.112 238 E HA -0.138 4.158 4.350 -0.090 0.000 0.190 238 E C 1.757 178.380 176.600 0.038 0.000 0.979 238 E CA 0.849 57.260 56.400 0.018 0.000 0.814 238 E CB -0.236 29.479 29.700 0.025 0.000 0.762 238 E HN 0.713 nan 8.360 nan 0.000 0.460 239 F N 1.846 121.786 119.950 -0.017 0.000 2.202 239 F HA -0.179 4.293 4.527 -0.091 0.000 0.301 239 F C 1.985 177.781 175.800 -0.007 0.000 1.082 239 F CA 1.361 59.364 58.000 0.006 0.000 1.313 239 F CB -0.057 38.984 39.000 0.069 0.000 1.024 239 F HN -0.005 nan 8.300 nan 0.000 0.495 240 I N -1.785 118.798 120.570 0.021 0.000 2.928 240 I HA -0.022 4.094 4.170 -0.090 0.000 0.266 240 I C 0.403 176.456 176.117 -0.107 0.000 1.234 240 I CA 0.967 62.239 61.300 -0.048 0.000 1.483 240 I CB -0.446 37.584 38.000 0.050 0.000 1.097 240 I HN 0.139 nan 8.210 nan 0.000 0.455 241 N N 0.583 119.181 118.700 -0.170 0.000 2.722 241 N HA 0.123 4.809 4.740 -0.090 0.000 0.242 241 N C 0.482 175.749 175.510 -0.404 0.000 1.398 241 N CA -0.010 52.834 53.050 -0.342 0.000 0.755 241 N CB 0.673 38.777 38.487 -0.639 0.000 1.268 241 N HN -0.008 nan 8.380 nan 0.000 0.522 242 T N -0.267 114.059 114.554 -0.379 0.000 2.795 242 T HA -0.150 4.146 4.350 -0.090 0.000 0.266 242 T C 1.289 175.616 174.700 -0.622 0.000 1.056 242 T CA 2.120 63.993 62.100 -0.378 0.000 1.141 242 T CB 0.141 68.838 68.868 -0.285 0.000 0.840 242 T HN 0.417 nan 8.240 nan 0.000 0.493 243 T N 0.679 114.876 114.554 -0.596 0.000 3.010 243 T HA 0.308 4.604 4.350 -0.090 0.000 0.252 243 T C 2.379 176.688 174.700 -0.652 0.000 1.047 243 T CA 0.600 62.333 62.100 -0.611 0.000 1.140 243 T CB -0.210 68.430 68.868 -0.379 0.000 0.885 243 T HN 0.396 nan 8.240 nan 0.000 0.464 244 A N 0.870 123.340 122.820 -0.583 0.000 1.969 244 A HA -0.066 4.200 4.320 -0.090 0.000 0.218 244 A C 0.646 178.106 177.584 -0.206 0.000 1.169 244 A CA 0.854 52.655 52.037 -0.392 0.000 0.635 244 A CB -0.601 18.092 19.000 -0.512 0.000 0.810 244 A HN 0.681 nan 8.150 nan 0.000 0.445 245 H N -1.963 117.005 119.070 -0.171 0.000 2.756 245 H HA -0.122 4.380 4.556 -0.090 0.000 0.315 245 H C -0.785 174.434 175.328 -0.182 0.000 1.210 245 H CA 0.761 56.722 56.048 -0.144 0.000 1.150 245 H CB -2.382 27.308 29.762 -0.119 0.000 1.463 245 H HN 0.256 nan 8.280 nan 0.000 0.427 246 V N 2.019 121.868 119.914 -0.109 0.000 2.347 246 V HA 0.273 4.339 4.120 -0.090 0.000 0.280 246 V C -1.715 174.207 176.094 -0.287 0.000 1.021 246 V CA -1.288 60.878 62.300 -0.223 0.000 0.847 246 V CB 1.942 33.726 31.823 -0.064 0.000 0.990 246 V HN 0.066 nan 8.190 nan 0.000 0.444 247 P HA 0.318 nan 4.420 nan 0.000 0.277 247 P C -0.271 176.876 177.300 -0.254 0.000 1.271 247 P CA -0.637 62.264 63.100 -0.331 0.000 0.795 247 P CB 0.559 32.047 31.700 -0.352 0.000 1.101 248 c N 0.148 118.692 118.600 -0.094 0.000 2.700 248 c HA 0.267 4.783 4.570 -0.090 0.000 0.397 248 c C 0.744 174.893 174.090 0.097 0.000 1.301 248 c CA 0.008 56.300 56.329 -0.062 0.000 2.219 248 c CB -1.308 41.239 42.510 0.061 0.000 2.699 248 c HN 0.360 nan 8.230 nan 0.000 0.669 249 F N 0.806 120.819 119.950 0.105 0.000 2.380 249 F HA 0.338 4.813 4.527 -0.087 0.000 0.325 249 F C 0.634 176.437 175.800 0.004 0.000 1.136 249 F CA -0.387 57.653 58.000 0.067 0.000 1.171 249 F CB 0.303 39.291 39.000 -0.019 0.000 1.230 249 F HN 0.513 nan 8.300 nan 0.000 0.554 250 Q N 1.166 121.083 119.800 0.196 0.000 2.347 250 Q HA 0.676 4.961 4.340 -0.090 0.000 0.262 250 Q C -1.047 174.936 176.000 -0.029 0.000 0.980 250 Q CA -0.517 55.322 55.803 0.060 0.000 0.867 250 Q CB 1.441 30.208 28.738 0.049 0.000 1.242 250 Q HN 0.827 nan 8.270 nan 0.000 0.453 251 A N 1.947 124.721 122.820 -0.077 0.000 2.475 251 A HA 0.727 4.993 4.320 -0.090 0.000 0.281 251 A C 0.656 178.196 177.584 -0.072 0.000 1.263 251 A CA -0.109 51.851 52.037 -0.128 0.000 0.776 251 A CB 0.691 19.497 19.000 -0.323 0.000 1.347 251 A HN 0.781 nan 8.150 nan 0.000 0.443 252 G N -1.076 107.702 108.800 -0.035 0.000 2.679 252 G HA2 0.282 4.188 3.960 -0.090 0.000 0.212 252 G HA3 0.282 4.188 3.960 -0.090 0.000 0.212 252 G C -0.040 174.871 174.900 0.018 0.000 1.137 252 G CA 1.295 46.403 45.100 0.014 0.000 0.787 252 G HN 0.752 nan 8.290 nan 0.000 0.534 253 D N -1.661 118.725 120.400 -0.024 0.000 2.787 253 D HA 0.378 4.964 4.640 -0.090 0.000 0.246 253 D C 1.393 177.600 176.300 -0.156 0.000 1.150 253 D CA -0.193 53.761 54.000 -0.077 0.000 0.864 253 D CB 1.563 42.342 40.800 -0.036 0.000 1.481 253 D HN -0.061 nan 8.370 nan 0.000 0.509 254 S N 2.735 118.327 115.700 -0.179 0.000 2.481 254 S HA -0.098 4.318 4.470 -0.090 0.000 0.231 254 S C 1.368 175.861 174.600 -0.179 0.000 0.996 254 S CA 0.359 58.475 58.200 -0.139 0.000 0.942 254 S CB -0.054 63.106 63.200 -0.065 0.000 0.768 254 S HN 0.475 nan 8.310 nan 0.000 0.520 255 R N 1.419 121.716 120.500 -0.338 0.000 2.310 255 R HA 0.502 4.788 4.340 -0.090 0.000 0.202 255 R C 2.168 178.388 176.300 -0.134 0.000 0.933 255 R CA 0.592 56.533 56.100 -0.265 0.000 1.054 255 R CB -0.902 29.107 30.300 -0.485 0.000 0.985 255 R HN 0.453 nan 8.270 nan 0.000 0.489 256 A N 0.574 123.296 122.820 -0.163 0.000 1.971 256 A HA -0.242 4.024 4.320 -0.090 0.000 0.222 256 A C 1.746 179.278 177.584 -0.086 0.000 1.182 256 A CA 2.202 54.103 52.037 -0.227 0.000 0.649 256 A CB -0.457 18.158 19.000 -0.643 0.000 0.818 256 A HN 0.300 nan 8.150 nan 0.000 0.458 257 S N -0.873 114.763 115.700 -0.106 0.000 2.577 257 S HA 0.048 4.463 4.470 -0.090 0.000 0.219 257 S C 1.504 175.790 174.600 -0.524 0.000 0.962 257 S CA 0.272 58.370 58.200 -0.171 0.000 0.921 257 S CB 0.097 63.256 63.200 -0.069 0.000 0.789 257 S HN 0.642 nan 8.310 nan 0.000 0.497 258 E N 1.925 121.759 120.200 -0.609 0.000 2.114 258 E HA -0.226 4.069 4.350 -0.090 0.000 0.199 258 E C 0.390 176.664 176.600 -0.543 0.000 1.008 258 E CA 1.473 57.305 56.400 -0.946 0.000 0.810 258 E CB 0.129 29.605 29.700 -0.373 0.000 0.739 258 E HN 0.739 nan 8.360 nan 0.000 0.456 259 Q N -1.769 117.897 119.800 -0.223 0.000 2.418 259 Q HA 0.329 4.615 4.340 -0.090 0.000 0.282 259 Q C 0.679 176.637 176.000 -0.070 0.000 1.044 259 Q CA -0.401 55.364 55.803 -0.064 0.000 0.813 259 Q CB 0.609 29.399 28.738 0.086 0.000 1.428 259 Q HN -0.005 nan 8.270 nan 0.000 0.402 260 I N 0.418 120.938 120.570 -0.084 0.000 2.264 260 I HA -0.235 3.881 4.170 -0.090 0.000 0.248 260 I C 0.688 176.795 176.117 -0.016 0.000 1.111 260 I CA 1.327 62.580 61.300 -0.078 0.000 1.382 260 I CB 0.157 38.076 38.000 -0.135 0.000 1.060 260 I HN 0.767 nan 8.210 nan 0.000 0.418 261 L N -0.253 120.964 121.223 -0.009 0.000 2.156 261 L HA -0.138 4.148 4.340 -0.090 0.000 0.208 261 L C 2.086 178.987 176.870 0.051 0.000 1.095 261 L CA 1.349 56.202 54.840 0.022 0.000 0.770 261 L CB -1.092 40.978 42.059 0.018 0.000 0.914 261 L HN 0.280 nan 8.230 nan 0.000 0.439 262 L N -0.135 121.112 121.223 0.040 0.000 2.056 262 L HA -0.070 4.216 4.340 -0.090 0.000 0.207 262 L C 2.481 179.461 176.870 0.184 0.000 1.078 262 L CA 1.979 56.864 54.840 0.074 0.000 0.749 262 L CB -0.874 41.214 42.059 0.048 0.000 0.901 262 L HN 0.164 nan 8.230 nan 0.000 0.433 263 A N -1.585 121.329 122.820 0.157 0.000 1.972 263 A HA -0.182 4.084 4.320 -0.090 0.000 0.219 263 A C 2.241 179.975 177.584 0.250 0.000 1.169 263 A CA 2.157 54.342 52.037 0.245 0.000 0.635 263 A CB -1.147 17.987 19.000 0.224 0.000 0.810 263 A HN 0.529 nan 8.150 nan 0.000 0.446 264 T N -0.469 114.187 114.554 0.170 0.000 2.737 264 T HA -0.106 4.190 4.350 -0.090 0.000 0.265 264 T C 1.867 176.644 174.700 0.128 0.000 1.038 264 T CA 1.688 63.870 62.100 0.135 0.000 1.144 264 T CB -0.355 68.568 68.868 0.092 0.000 0.866 264 T HN 0.169 nan 8.240 nan 0.000 0.434 265 V N 1.003 121.003 119.914 0.143 0.000 2.548 265 V HA -0.141 3.925 4.120 -0.090 0.000 0.249 265 V C 2.383 178.527 176.094 0.083 0.000 1.055 265 V CA 1.338 63.733 62.300 0.158 0.000 1.065 265 V CB -0.682 31.261 31.823 0.200 0.000 0.681 265 V HN 0.577 nan 8.190 nan 0.000 0.462 266 H N 0.332 119.429 119.070 0.045 0.000 2.422 266 H HA -0.132 4.371 4.556 -0.088 0.000 0.298 266 H C 2.460 177.749 175.328 -0.065 0.000 1.098 266 H CA 2.071 58.114 56.048 -0.009 0.000 1.315 266 H CB -0.116 29.645 29.762 -0.001 0.000 1.382 266 H HN 0.412 nan 8.280 nan 0.000 0.523 267 T N 1.113 115.703 114.554 0.061 0.000 2.812 267 T HA -0.084 4.212 4.350 -0.090 0.000 0.264 267 T C 2.179 176.829 174.700 -0.084 0.000 1.042 267 T CA 0.363 62.427 62.100 -0.060 0.000 1.140 267 T CB -0.151 68.694 68.868 -0.038 0.000 0.870 267 T HN 0.038 nan 8.240 nan 0.000 0.445 268 L N 0.945 122.135 121.223 -0.055 0.000 2.083 268 L HA 0.042 4.328 4.340 -0.090 0.000 0.209 268 L C 2.281 179.075 176.870 -0.127 0.000 1.083 268 L CA 1.393 56.169 54.840 -0.107 0.000 0.752 268 L CB -1.209 40.792 42.059 -0.097 0.000 0.899 268 L HN 0.293 nan 8.230 nan 0.000 0.433 269 L N -1.656 119.521 121.223 -0.078 0.000 2.056 269 L HA -0.213 4.073 4.340 -0.090 0.000 0.207 269 L C 2.483 179.288 176.870 -0.108 0.000 1.078 269 L CA 0.722 55.510 54.840 -0.088 0.000 0.749 269 L CB -0.499 41.529 42.059 -0.053 0.000 0.901 269 L HN 0.245 nan 8.230 nan 0.000 0.433 270 L N -0.087 121.069 121.223 -0.112 0.000 2.017 270 L HA -0.206 4.080 4.340 -0.090 0.000 0.208 270 L C 2.798 179.613 176.870 -0.092 0.000 1.073 270 L CA 1.656 56.418 54.840 -0.129 0.000 0.745 270 L CB -0.332 41.633 42.059 -0.158 0.000 0.894 270 L HN 0.071 nan 8.230 nan 0.000 0.432 271 R N -0.611 119.817 120.500 -0.121 0.000 2.096 271 R HA -0.212 4.074 4.340 -0.090 0.000 0.235 271 R C 2.231 178.465 176.300 -0.110 0.000 1.127 271 R CA 1.467 57.495 56.100 -0.120 0.000 0.968 271 R CB -0.382 29.825 30.300 -0.155 0.000 0.861 271 R HN 0.419 nan 8.270 nan 0.000 0.440 272 E N 0.282 120.396 120.200 -0.144 0.000 2.077 272 E HA -0.234 4.062 4.350 -0.090 0.000 0.193 272 E C 1.741 178.271 176.600 -0.117 0.000 0.989 272 E CA 1.707 57.996 56.400 -0.186 0.000 0.800 272 E CB -0.187 29.333 29.700 -0.300 0.000 0.746 272 E HN 0.467 nan 8.360 nan 0.000 0.452 273 H N -0.358 118.636 119.070 -0.128 0.000 2.319 273 H HA -0.083 4.423 4.556 -0.083 0.000 0.299 273 H C 1.660 176.958 175.328 -0.050 0.000 1.092 273 H CA 2.193 58.206 56.048 -0.058 0.000 1.302 273 H CB -0.055 29.711 29.762 0.007 0.000 1.373 273 H HN 0.138 nan 8.280 nan 0.000 0.497 274 N N 0.227 119.014 118.700 0.145 0.000 2.142 274 N HA -0.127 4.559 4.740 -0.090 0.000 0.186 274 N C 1.997 177.489 175.510 -0.030 0.000 1.023 274 N CA 0.974 54.084 53.050 0.101 0.000 0.852 274 N CB -0.378 38.161 38.487 0.088 0.000 0.998 274 N HN 0.375 nan 8.380 nan 0.000 0.424 275 R N 0.336 120.791 120.500 -0.074 0.000 2.080 275 R HA -0.109 4.177 4.340 -0.090 0.000 0.236 275 R C 1.652 177.866 176.300 -0.143 0.000 1.137 275 R CA 1.152 57.188 56.100 -0.107 0.000 0.943 275 R CB -0.360 29.858 30.300 -0.136 0.000 0.846 275 R HN 0.071 nan 8.270 nan 0.000 0.431 276 L N 0.635 121.739 121.223 -0.199 0.000 2.013 276 L HA -0.167 4.119 4.340 -0.090 0.000 0.212 276 L C 2.534 179.272 176.870 -0.221 0.000 1.073 276 L CA 2.195 56.885 54.840 -0.250 0.000 0.753 276 L CB -1.329 40.537 42.059 -0.321 0.000 0.890 276 L HN 0.325 nan 8.230 nan 0.000 0.432 277 A N -1.210 121.470 122.820 -0.233 0.000 1.969 277 A HA -0.197 4.069 4.320 -0.090 0.000 0.218 277 A C 2.470 180.019 177.584 -0.058 0.000 1.169 277 A CA 1.375 53.329 52.037 -0.138 0.000 0.635 277 A CB -0.393 18.544 19.000 -0.104 0.000 0.810 277 A HN 0.361 nan 8.150 nan 0.000 0.445 278 R N -0.576 119.889 120.500 -0.059 0.000 2.062 278 R HA -0.081 4.205 4.340 -0.090 0.000 0.231 278 R C 2.117 178.380 176.300 -0.062 0.000 1.136 278 R CA 1.291 57.366 56.100 -0.041 0.000 0.948 278 R CB -0.250 30.030 30.300 -0.034 0.000 0.845 278 R HN 0.423 nan 8.270 nan 0.000 0.430 279 E N 0.892 121.038 120.200 -0.090 0.000 2.097 279 E HA -0.198 4.098 4.350 -0.090 0.000 0.196 279 E C 2.003 178.535 176.600 -0.113 0.000 1.000 279 E CA 1.248 57.587 56.400 -0.102 0.000 0.804 279 E CB -0.156 29.468 29.700 -0.128 0.000 0.740 279 E HN 0.345 nan 8.360 nan 0.000 0.454 280 L N 0.435 121.587 121.223 -0.117 0.000 2.376 280 L HA -0.095 4.191 4.340 -0.090 0.000 0.219 280 L C 2.305 179.077 176.870 -0.164 0.000 1.133 280 L CA 0.709 55.466 54.840 -0.138 0.000 0.816 280 L CB -0.196 41.855 42.059 -0.014 0.000 0.933 280 L HN -0.017 nan 8.230 nan 0.000 0.449 281 K N 0.543 120.893 120.400 -0.082 0.000 2.186 281 K HA -0.027 4.239 4.320 -0.090 0.000 0.202 281 K C 2.127 178.678 176.600 -0.081 0.000 1.052 281 K CA 0.970 57.220 56.287 -0.062 0.000 0.965 281 K CB 0.105 32.603 32.500 -0.003 0.000 0.746 281 K HN 0.074 nan 8.250 nan 0.000 0.457 282 R N -0.111 120.343 120.500 -0.077 0.000 2.092 282 R HA 0.042 4.328 4.340 -0.090 0.000 0.231 282 R C 2.121 178.370 176.300 -0.084 0.000 1.119 282 R CA 1.291 57.352 56.100 -0.064 0.000 0.970 282 R CB -0.243 30.025 30.300 -0.053 0.000 0.864 282 R HN 0.171 nan 8.270 nan 0.000 0.440 283 L N 0.321 121.467 121.223 -0.129 0.000 2.095 283 L HA -0.047 4.239 4.340 -0.090 0.000 0.204 283 L C 0.241 176.983 176.870 -0.214 0.000 1.080 283 L CA 0.820 55.572 54.840 -0.148 0.000 0.759 283 L CB 0.019 41.984 42.059 -0.158 0.000 0.914 283 L HN 0.164 nan 8.230 nan 0.000 0.439 284 N N -0.421 118.050 118.700 -0.381 0.000 2.841 284 N HA 0.190 4.875 4.740 -0.090 0.000 0.257 284 N C -2.142 173.170 175.510 -0.330 0.000 1.396 284 N CA -1.012 51.704 53.050 -0.556 0.000 0.823 284 N CB 1.254 38.752 38.487 -1.649 0.000 1.162 284 N HN -0.064 nan 8.380 nan 0.000 0.503 285 P HA -0.123 nan 4.420 nan 0.000 0.222 285 P C 1.137 178.505 177.300 0.114 0.000 1.147 285 P CA 1.177 64.300 63.100 0.039 0.000 0.790 285 P CB 0.055 31.792 31.700 0.061 0.000 0.780 286 H N -4.163 114.919 119.070 0.020 0.000 2.548 286 H HA 0.033 4.535 4.556 -0.089 0.000 0.265 286 H C 0.180 175.668 175.328 0.266 0.000 0.969 286 H CA -0.322 55.794 56.048 0.115 0.000 1.155 286 H CB -0.904 28.922 29.762 0.107 0.000 1.394 286 H HN 0.059 nan 8.280 nan 0.000 0.570 287 W N 4.731 125.838 121.300 -0.321 0.000 2.181 287 W HA 0.100 4.698 4.660 -0.103 0.000 0.335 287 W C 0.859 177.340 176.519 -0.063 0.000 1.310 287 W CA -0.705 56.517 57.345 -0.205 0.000 1.226 287 W CB 0.426 29.776 29.460 -0.182 0.000 1.155 287 W HN 0.306 nan 8.180 nan 0.000 0.565 288 D N 0.316 120.801 120.400 0.141 0.000 2.447 288 D HA 0.169 4.755 4.640 -0.090 0.000 0.265 288 D C 1.305 177.649 176.300 0.073 0.000 1.250 288 D CA -0.034 54.017 54.000 0.085 0.000 1.046 288 D CB 0.297 41.122 40.800 0.041 0.000 1.095 288 D HN 0.445 nan 8.370 nan 0.000 0.555 289 G N -0.680 108.151 108.800 0.051 0.000 2.408 289 G HA2 -0.293 3.613 3.960 -0.090 0.000 0.217 289 G HA3 -0.293 3.613 3.960 -0.090 0.000 0.217 289 G C 1.406 176.329 174.900 0.039 0.000 1.150 289 G CA 1.019 46.150 45.100 0.052 0.000 0.776 289 G HN 0.603 nan 8.290 nan 0.000 0.542 290 E N 0.142 120.338 120.200 -0.006 0.000 2.077 290 E HA -0.034 4.261 4.350 -0.090 0.000 0.193 290 E C 2.379 178.938 176.600 -0.069 0.000 0.989 290 E CA 0.907 57.289 56.400 -0.029 0.000 0.800 290 E CB -0.364 29.307 29.700 -0.048 0.000 0.746 290 E HN 0.378 nan 8.360 nan 0.000 0.452 291 M N -0.441 119.081 119.600 -0.129 0.000 2.229 291 M HA -0.117 4.309 4.480 -0.090 0.000 0.264 291 M C 1.233 177.387 176.300 -0.244 0.000 1.063 291 M CA 0.747 55.865 55.300 -0.303 0.000 1.114 291 M CB 0.053 32.324 32.600 -0.547 0.000 1.387 291 M HN 0.228 nan 8.290 nan 0.000 0.420 292 L N -0.790 120.423 121.223 -0.016 0.000 2.044 292 L HA -0.201 4.085 4.340 -0.090 0.000 0.205 292 L C 2.260 179.143 176.870 0.022 0.000 1.075 292 L CA 1.846 56.748 54.840 0.104 0.000 0.747 292 L CB -1.827 40.328 42.059 0.159 0.000 0.903 292 L HN 0.335 nan 8.230 nan 0.000 0.435 293 Y N 0.941 121.205 120.300 -0.061 0.000 2.049 293 Y HA -0.296 4.206 4.550 -0.080 0.000 0.277 293 Y C 2.733 178.530 175.900 -0.172 0.000 1.143 293 Y CA 1.853 59.946 58.100 -0.011 0.000 1.115 293 Y CB -0.214 38.224 38.460 -0.037 0.000 0.975 293 Y HN 0.222 nan 8.280 nan 0.000 0.487 294 Q N 0.300 119.862 119.800 -0.398 0.000 2.096 294 Q HA -0.194 4.092 4.340 -0.090 0.000 0.204 294 Q C 2.061 177.688 176.000 -0.623 0.000 0.982 294 Q CA 1.789 57.115 55.803 -0.796 0.000 0.850 294 Q CB -0.367 27.514 28.738 -1.429 0.000 0.901 294 Q HN 0.634 nan 8.270 nan 0.000 0.422 295 E N 0.393 120.367 120.200 -0.377 0.000 2.107 295 E HA -0.062 4.234 4.350 -0.090 0.000 0.191 295 E C 1.915 178.458 176.600 -0.095 0.000 0.982 295 E CA 0.954 57.306 56.400 -0.080 0.000 0.809 295 E CB -0.109 29.637 29.700 0.076 0.000 0.756 295 E HN 0.308 nan 8.360 nan 0.000 0.459 296 A N 1.665 124.350 122.820 -0.225 0.000 1.873 296 A HA -0.194 4.072 4.320 -0.090 0.000 0.215 296 A C 2.231 179.679 177.584 -0.227 0.000 1.186 296 A CA 1.702 53.544 52.037 -0.325 0.000 0.616 296 A CB -0.518 18.087 19.000 -0.658 0.000 0.823 296 A HN 0.158 nan 8.150 nan 0.000 0.442 297 R N 0.047 120.357 120.500 -0.316 0.000 2.091 297 R HA -0.204 4.082 4.340 -0.090 0.000 0.238 297 R C 2.241 178.437 176.300 -0.174 0.000 1.136 297 R CA 2.146 57.995 56.100 -0.418 0.000 0.959 297 R CB -0.297 29.358 30.300 -1.076 0.000 0.856 297 R HN 0.532 nan 8.270 nan 0.000 0.437 298 K N 0.365 120.700 120.400 -0.109 0.000 2.026 298 K HA -0.118 4.148 4.320 -0.090 0.000 0.208 298 K C 2.077 178.859 176.600 0.303 0.000 1.048 298 K CA 1.759 58.109 56.287 0.106 0.000 0.929 298 K CB -0.120 32.478 32.500 0.164 0.000 0.713 298 K HN 0.238 nan 8.250 nan 0.000 0.439 299 I N 1.026 121.731 120.570 0.225 0.000 2.163 299 I HA -0.292 3.824 4.170 -0.090 0.000 0.243 299 I C 2.313 178.488 176.117 0.096 0.000 1.085 299 I CA 0.741 62.119 61.300 0.130 0.000 1.347 299 I CB -0.286 37.636 38.000 -0.130 0.000 1.044 299 I HN 0.213 nan 8.210 nan 0.000 0.408 300 L N 1.191 122.468 121.223 0.089 0.000 2.187 300 L HA -0.123 4.162 4.340 -0.090 0.000 0.213 300 L C 2.271 179.299 176.870 0.263 0.000 1.100 300 L CA 1.989 56.926 54.840 0.162 0.000 0.765 300 L CB -1.049 41.144 42.059 0.223 0.000 0.904 300 L HN 0.207 nan 8.230 nan 0.000 0.437 301 G N -1.697 107.244 108.800 0.236 0.000 2.403 301 G HA2 -0.142 3.764 3.960 -0.090 0.000 0.216 301 G HA3 -0.142 3.764 3.960 -0.090 0.000 0.216 301 G C 1.588 176.606 174.900 0.197 0.000 1.154 301 G CA 0.562 45.804 45.100 0.236 0.000 0.784 301 G HN 0.550 nan 8.290 nan 0.000 0.538 302 A N 0.423 123.345 122.820 0.170 0.000 1.969 302 A HA 0.133 4.399 4.320 -0.090 0.000 0.218 302 A C 2.103 179.599 177.584 -0.147 0.000 1.169 302 A CA 1.369 53.388 52.037 -0.031 0.000 0.635 302 A CB -0.489 18.457 19.000 -0.091 0.000 0.810 302 A HN 0.420 nan 8.150 nan 0.000 0.445 303 F N 0.813 120.690 119.950 -0.122 0.000 2.102 303 F HA -0.147 4.278 4.527 -0.170 0.000 0.298 303 F C 1.901 177.740 175.800 0.065 0.000 1.105 303 F CA 1.802 59.747 58.000 -0.092 0.000 1.239 303 F CB -0.179 38.794 39.000 -0.046 0.000 0.991 303 F HN 0.173 nan 8.300 nan 0.000 0.474 304 I N 0.294 121.023 120.570 0.265 0.000 2.226 304 I HA -0.303 3.813 4.170 -0.090 0.000 0.245 304 I C 2.315 178.613 176.117 0.302 0.000 1.100 304 I CA 1.433 62.955 61.300 0.369 0.000 1.374 304 I CB -0.679 37.567 38.000 0.410 0.000 1.057 304 I HN 0.304 nan 8.210 nan 0.000 0.413 305 Q N 0.498 120.404 119.800 0.178 0.000 2.119 305 Q HA -0.138 4.148 4.340 -0.090 0.000 0.201 305 Q C 2.334 178.452 176.000 0.197 0.000 0.972 305 Q CA 1.335 57.273 55.803 0.224 0.000 0.847 305 Q CB 0.021 28.687 28.738 -0.119 0.000 0.903 305 Q HN 0.553 nan 8.270 nan 0.000 0.433 306 I N 0.417 120.902 120.570 -0.141 0.000 2.193 306 I HA -0.241 3.875 4.170 -0.090 0.000 0.240 306 I C 2.067 178.151 176.117 -0.055 0.000 1.084 306 I CA 0.641 61.823 61.300 -0.196 0.000 1.365 306 I CB -0.220 37.446 38.000 -0.557 0.000 1.064 306 I HN 0.194 nan 8.210 nan 0.000 0.410 307 I N 0.837 121.275 120.570 -0.220 0.000 2.194 307 I HA -0.289 3.827 4.170 -0.090 0.000 0.246 307 I C 2.597 178.711 176.117 -0.005 0.000 1.093 307 I CA 1.886 63.040 61.300 -0.244 0.000 1.355 307 I CB -1.749 35.877 38.000 -0.623 0.000 1.046 307 I HN 0.283 nan 8.210 nan 0.000 0.413 308 T N 0.841 115.567 114.554 0.285 0.000 2.701 308 T HA -0.137 4.159 4.350 -0.090 0.000 0.263 308 T C 1.768 176.620 174.700 0.253 0.000 1.040 308 T CA 1.436 63.797 62.100 0.435 0.000 1.147 308 T CB -0.368 68.859 68.868 0.597 0.000 0.865 308 T HN 0.094 nan 8.240 nan 0.000 0.426 309 F N 0.806 120.899 119.950 0.238 0.000 2.367 309 F HA 0.230 4.701 4.527 -0.094 0.000 0.298 309 F C 2.523 178.417 175.800 0.157 0.000 1.094 309 F CA 0.408 58.545 58.000 0.228 0.000 1.409 309 F CB -0.150 39.110 39.000 0.434 0.000 1.064 309 F HN -0.038 nan 8.300 nan 0.000 0.528 310 R N 0.042 120.708 120.500 0.276 0.000 2.105 310 R HA -0.041 4.245 4.340 -0.090 0.000 0.214 310 R C 1.059 177.404 176.300 0.074 0.000 1.091 310 R CA 1.484 57.689 56.100 0.174 0.000 1.007 310 R CB -0.026 30.365 30.300 0.152 0.000 0.912 310 R HN 0.113 nan 8.270 nan 0.000 0.450 311 D N -1.003 119.405 120.400 0.014 0.000 2.379 311 D HA -0.056 4.530 4.640 -0.090 0.000 0.218 311 D C 1.240 177.389 176.300 -0.252 0.000 1.006 311 D CA 0.555 54.520 54.000 -0.057 0.000 0.893 311 D CB -0.058 40.756 40.800 0.024 0.000 1.019 311 D HN 0.187 nan 8.370 nan 0.000 0.503 312 Y N 1.639 121.677 120.300 -0.436 0.000 2.239 312 Y HA 0.138 4.634 4.550 -0.091 0.000 0.293 312 Y C 2.123 177.902 175.900 -0.203 0.000 1.126 312 Y CA 0.769 58.592 58.100 -0.463 0.000 1.128 312 Y CB -0.416 37.839 38.460 -0.343 0.000 1.066 312 Y HN -0.240 nan 8.280 nan 0.000 0.516 313 L N 0.646 121.688 121.223 -0.301 0.000 2.013 313 L HA -0.183 4.103 4.340 -0.090 0.000 0.212 313 L C -0.523 176.164 176.870 -0.305 0.000 1.073 313 L CA 1.637 56.206 54.840 -0.450 0.000 0.753 313 L CB -1.872 39.839 42.059 -0.580 0.000 0.890 313 L HN 0.222 nan 8.230 nan 0.000 0.432 314 P HA -0.184 nan 4.420 nan 0.000 0.217 314 P C 1.539 178.762 177.300 -0.129 0.000 1.148 314 P CA 1.489 64.522 63.100 -0.112 0.000 0.828 314 P CB -0.118 31.548 31.700 -0.056 0.000 0.783 315 I N -5.885 114.584 120.570 -0.169 0.000 3.883 315 I HA 0.074 4.190 4.170 -0.090 0.000 0.326 315 I C 1.288 177.325 176.117 -0.134 0.000 1.283 315 I CA 0.251 61.456 61.300 -0.157 0.000 1.161 315 I CB -0.207 37.688 38.000 -0.176 0.000 1.012 315 I HN -0.241 nan 8.210 nan 0.000 0.421 316 V N 1.406 121.211 119.914 -0.182 0.000 2.492 316 V HA 0.010 4.076 4.120 -0.090 0.000 0.241 316 V C 2.235 178.223 176.094 -0.175 0.000 1.041 316 V CA 1.195 63.403 62.300 -0.154 0.000 1.057 316 V CB -0.001 31.617 31.823 -0.342 0.000 0.711 316 V HN 0.395 nan 8.190 nan 0.000 0.468 317 L N -0.132 120.992 121.223 -0.166 0.000 2.446 317 L HA 0.335 4.621 4.340 -0.090 0.000 0.219 317 L C 1.795 178.639 176.870 -0.044 0.000 1.116 317 L CA 0.732 55.517 54.840 -0.092 0.000 0.844 317 L CB -1.045 40.985 42.059 -0.047 0.000 0.970 317 L HN 0.517 nan 8.230 nan 0.000 0.457 318 G N 1.481 110.243 108.800 -0.064 0.000 2.652 318 G HA2 -0.458 3.448 3.960 -0.090 0.000 0.318 318 G HA3 -0.458 3.448 3.960 -0.090 0.000 0.318 318 G C 1.060 175.949 174.900 -0.018 0.000 1.295 318 G CA 1.018 46.090 45.100 -0.046 0.000 0.999 318 G HN 0.429 nan 8.290 nan 0.000 0.548 319 S N 0.142 115.835 115.700 -0.012 0.000 2.469 319 S HA -0.013 4.403 4.470 -0.090 0.000 0.238 319 S C 1.614 176.219 174.600 0.009 0.000 0.998 319 S CA 1.986 60.182 58.200 -0.006 0.000 0.957 319 S CB -0.005 63.189 63.200 -0.010 0.000 0.764 319 S HN 0.608 nan 8.310 nan 0.000 0.514 320 E N 0.551 120.778 120.200 0.045 0.000 2.435 320 E HA 0.117 4.413 4.350 -0.090 0.000 0.195 320 E C 1.543 178.226 176.600 0.139 0.000 1.029 320 E CA 0.218 56.685 56.400 0.112 0.000 0.865 320 E CB -0.304 29.540 29.700 0.240 0.000 0.833 320 E HN 0.572 nan 8.360 nan 0.000 0.510 321 M N 1.913 121.562 119.600 0.082 0.000 2.110 321 M HA -0.284 4.142 4.480 -0.090 0.000 0.257 321 M C 2.250 178.600 176.300 0.083 0.000 1.071 321 M CA 2.090 57.440 55.300 0.083 0.000 1.096 321 M CB -0.374 32.243 32.600 0.027 0.000 1.300 321 M HN 0.064 nan 8.290 nan 0.000 0.411 322 Q N -0.775 119.041 119.800 0.026 0.000 2.297 322 Q HA -0.197 4.089 4.340 -0.090 0.000 0.204 322 Q C 1.995 177.953 176.000 -0.069 0.000 0.962 322 Q CA 1.611 57.416 55.803 0.003 0.000 0.879 322 Q CB -0.623 28.110 28.738 -0.008 0.000 0.947 322 Q HN 0.669 nan 8.270 nan 0.000 0.462 323 K N 0.119 120.424 120.400 -0.159 0.000 2.147 323 K HA -0.141 4.125 4.320 -0.090 0.000 0.205 323 K C 0.763 177.021 176.600 -0.571 0.000 1.049 323 K CA 1.690 57.721 56.287 -0.425 0.000 0.936 323 K CB -0.032 32.117 32.500 -0.585 0.000 0.722 323 K HN 0.423 nan 8.250 nan 0.000 0.446 324 W N -0.222 121.093 121.300 0.025 0.000 2.901 324 W HA 0.345 4.950 4.660 -0.092 0.000 0.281 324 W C -0.073 176.485 176.519 0.065 0.000 1.167 324 W CA -0.565 56.805 57.345 0.042 0.000 1.506 324 W CB 0.870 30.366 29.460 0.059 0.000 0.985 324 W HN -0.197 nan 8.180 nan 0.000 0.590 325 I N 2.741 123.455 120.570 0.240 0.000 2.623 325 I HA 0.205 4.321 4.170 -0.090 0.000 0.275 325 I C -2.188 174.015 176.117 0.144 0.000 1.108 325 I CA -1.862 59.567 61.300 0.214 0.000 1.120 325 I CB 0.888 39.039 38.000 0.250 0.000 1.249 325 I HN -0.440 nan 8.210 nan 0.000 0.500 326 P HA 0.348 nan 4.420 nan 0.000 0.274 326 P C -2.571 174.789 177.300 0.102 0.000 1.256 326 P CA -1.456 61.685 63.100 0.069 0.000 0.795 326 P CB -0.371 31.347 31.700 0.029 0.000 1.038 327 P HA 0.005 nan 4.420 nan 0.000 0.267 327 P C -0.436 176.944 177.300 0.134 0.000 1.200 327 P CA 0.212 63.387 63.100 0.125 0.000 0.772 327 P CB -0.084 31.670 31.700 0.090 0.000 0.855 328 Y N 2.643 122.950 120.300 0.013 0.000 2.620 328 Y HA -0.044 4.455 4.550 -0.083 0.000 0.330 328 Y C 1.219 177.102 175.900 -0.027 0.000 1.186 328 Y CA 0.849 58.925 58.100 -0.041 0.000 1.467 328 Y CB 0.372 38.805 38.460 -0.046 0.000 1.262 328 Y HN 0.373 nan 8.280 nan 0.000 0.550 329 Q N 4.737 124.253 119.800 -0.473 0.000 2.139 329 Q HA 0.322 4.608 4.340 -0.090 0.000 0.219 329 Q C 0.484 176.129 176.000 -0.591 0.000 0.805 329 Q CA 0.437 56.004 55.803 -0.395 0.000 1.024 329 Q CB 0.865 29.472 28.738 -0.219 0.000 1.163 329 Q HN 1.008 nan 8.270 nan 0.000 0.485 330 G N 1.472 109.499 108.800 -1.289 0.000 2.555 330 G HA2 -0.243 3.662 3.960 -0.090 0.000 0.686 330 G HA3 -0.243 3.662 3.960 -0.090 0.000 0.686 330 G C -1.353 173.308 174.900 -0.398 0.000 1.275 330 G CA -0.966 43.623 45.100 -0.852 0.000 0.871 330 G HN 0.175 nan 8.290 nan 0.000 0.603 331 Y N 1.697 121.908 120.300 -0.150 0.000 2.526 331 Y HA 0.525 5.022 4.550 -0.088 0.000 0.330 331 Y C 0.372 176.244 175.900 -0.047 0.000 1.156 331 Y CA -0.404 57.691 58.100 -0.007 0.000 1.419 331 Y CB 0.886 39.366 38.460 0.032 0.000 1.250 331 Y HN 0.642 nan 8.280 nan 0.000 0.540 332 N N 5.683 124.064 118.700 -0.531 0.000 2.518 332 N HA 0.060 4.746 4.740 -0.090 0.000 0.254 332 N C 0.153 175.228 175.510 -0.724 0.000 0.979 332 N CA -0.492 52.246 53.050 -0.520 0.000 0.930 332 N CB 0.292 38.638 38.487 -0.236 0.000 1.152 332 N HN 0.859 nan 8.380 nan 0.000 0.505 333 N N 1.636 119.855 118.700 -0.801 0.000 2.573 333 N HA -0.068 4.618 4.740 -0.090 0.000 0.187 333 N C 0.196 175.603 175.510 -0.172 0.000 1.107 333 N CA 0.467 53.222 53.050 -0.492 0.000 0.918 333 N CB 0.121 38.460 38.487 -0.247 0.000 0.966 333 N HN 0.194 nan 8.380 nan 0.000 0.448 334 S N -0.198 115.407 115.700 -0.159 0.000 2.524 334 S HA 0.157 4.573 4.470 -0.090 0.000 0.216 334 S C 0.599 175.178 174.600 -0.035 0.000 0.987 334 S CA -0.430 57.728 58.200 -0.071 0.000 0.909 334 S CB 0.441 63.598 63.200 -0.072 0.000 0.781 334 S HN 0.111 nan 8.310 nan 0.000 0.521 335 V N 3.277 123.165 119.914 -0.042 0.000 2.530 335 V HA 0.169 4.235 4.120 -0.090 0.000 0.282 335 V C 0.050 176.183 176.094 0.064 0.000 1.048 335 V CA -0.743 61.562 62.300 0.008 0.000 0.997 335 V CB 1.200 33.027 31.823 0.008 0.000 0.987 335 V HN 0.197 nan 8.190 nan 0.000 0.477 336 D N 7.585 128.030 120.400 0.075 0.000 2.336 336 D HA 0.203 4.789 4.640 -0.090 0.000 0.249 336 D C -1.376 174.993 176.300 0.116 0.000 1.213 336 D CA -2.014 52.049 54.000 0.105 0.000 0.870 336 D CB 1.633 42.503 40.800 0.118 0.000 1.076 336 D HN 0.278 nan 8.370 nan 0.000 0.483 337 P HA 0.029 nan 4.420 nan 0.000 0.249 337 P C 0.072 177.336 177.300 -0.060 0.000 1.229 337 P CA -0.043 63.095 63.100 0.063 0.000 0.788 337 P CB 0.338 32.116 31.700 0.130 0.000 1.072 338 R N 0.427 120.918 120.500 -0.015 0.000 2.640 338 R HA 0.146 4.432 4.340 -0.090 0.000 0.270 338 R C 0.651 176.898 176.300 -0.090 0.000 1.024 338 R CA -0.383 55.681 56.100 -0.061 0.000 1.085 338 R CB 0.235 30.538 30.300 0.005 0.000 0.963 338 R HN 0.034 nan 8.270 nan 0.000 0.426 339 I N 2.365 122.827 120.570 -0.179 0.000 2.496 339 I HA -0.030 4.086 4.170 -0.090 0.000 0.285 339 I C 1.001 176.967 176.117 -0.251 0.000 1.080 339 I CA 0.360 61.489 61.300 -0.285 0.000 1.404 339 I CB 0.744 38.596 38.000 -0.245 0.000 1.403 339 I HN 0.697 nan 8.210 nan 0.000 0.539 340 S N 5.303 120.732 115.700 -0.452 0.000 2.632 340 S HA 0.224 4.640 4.470 -0.090 0.000 0.271 340 S C 1.059 175.444 174.600 -0.358 0.000 1.260 340 S CA -0.680 57.149 58.200 -0.619 0.000 1.010 340 S CB 1.526 63.681 63.200 -1.742 0.000 0.965 340 S HN 0.615 nan 8.310 nan 0.000 0.534 341 N N 0.723 119.296 118.700 -0.211 0.000 2.036 341 N HA -0.145 4.541 4.740 -0.090 0.000 0.195 341 N C 1.730 177.228 175.510 -0.020 0.000 1.037 341 N CA 1.601 54.648 53.050 -0.004 0.000 0.855 341 N CB -0.753 37.820 38.487 0.143 0.000 1.033 341 N HN 0.543 nan 8.380 nan 0.000 0.423 342 V N 0.800 120.609 119.914 -0.175 0.000 2.469 342 V HA -0.210 3.856 4.120 -0.090 0.000 0.251 342 V C 2.091 178.048 176.094 -0.228 0.000 1.064 342 V CA 1.598 63.744 62.300 -0.257 0.000 1.066 342 V CB -0.735 30.524 31.823 -0.939 0.000 0.667 342 V HN 0.315 nan 8.190 nan 0.000 0.461 343 F N 1.776 121.446 119.950 -0.468 0.000 2.161 343 F HA -0.205 4.267 4.527 -0.092 0.000 0.300 343 F C 2.598 178.290 175.800 -0.180 0.000 1.089 343 F CA 2.235 60.037 58.000 -0.329 0.000 1.282 343 F CB -0.584 38.178 39.000 -0.397 0.000 1.010 343 F HN 0.380 nan 8.300 nan 0.000 0.485 344 T N -2.360 112.130 114.554 -0.106 0.000 3.051 344 T HA -0.163 4.133 4.350 -0.090 0.000 0.269 344 T C 1.522 175.863 174.700 -0.598 0.000 1.127 344 T CA 1.284 63.197 62.100 -0.311 0.000 1.107 344 T CB -0.983 67.677 68.868 -0.346 0.000 0.898 344 T HN 0.328 nan 8.240 nan 0.000 0.517 345 F N 0.743 120.621 119.950 -0.120 0.000 2.559 345 F HA 0.563 5.036 4.527 -0.089 0.000 0.286 345 F C 2.732 178.539 175.800 0.013 0.000 1.108 345 F CA 0.008 57.977 58.000 -0.051 0.000 1.436 345 F CB -0.370 38.613 39.000 -0.029 0.000 1.130 345 F HN 0.204 nan 8.300 nan 0.000 0.584 346 A N -0.054 122.774 122.820 0.013 0.000 1.930 346 A HA -0.171 4.095 4.320 -0.090 0.000 0.217 346 A C 1.910 179.551 177.584 0.096 0.000 1.175 346 A CA 1.008 53.045 52.037 0.001 0.000 0.627 346 A CB -1.031 17.877 19.000 -0.153 0.000 0.815 346 A HN 0.354 nan 8.150 nan 0.000 0.443 347 F N 1.053 120.771 119.950 -0.387 0.000 2.604 347 F HA 0.041 4.512 4.527 -0.093 0.000 0.298 347 F C 1.759 177.347 175.800 -0.354 0.000 1.131 347 F CA 0.318 58.097 58.000 -0.368 0.000 1.457 347 F CB -0.400 38.169 39.000 -0.719 0.000 1.095 347 F HN 0.219 nan 8.300 nan 0.000 0.574 348 R N -0.025 120.426 120.500 -0.081 0.000 2.328 348 R HA -0.092 4.194 4.340 -0.090 0.000 0.206 348 R C 1.833 178.125 176.300 -0.013 0.000 0.990 348 R CA 0.433 56.370 56.100 -0.272 0.000 1.085 348 R CB -0.909 29.320 30.300 -0.119 0.000 0.998 348 R HN 0.401 nan 8.270 nan 0.000 0.484 349 F N -1.198 118.801 119.950 0.082 0.000 2.333 349 F HA 0.059 4.531 4.527 -0.092 0.000 0.300 349 F C 1.950 177.799 175.800 0.081 0.000 1.083 349 F CA 0.749 58.792 58.000 0.070 0.000 1.395 349 F CB -0.841 38.186 39.000 0.045 0.000 1.056 349 F HN -0.117 nan 8.300 nan 0.000 0.529 350 G N -0.039 108.214 108.800 -0.911 0.000 2.462 350 G HA2 -0.271 3.635 3.960 -0.090 0.000 0.220 350 G HA3 -0.271 3.635 3.960 -0.090 0.000 0.220 350 G C 1.253 176.098 174.900 -0.091 0.000 1.121 350 G CA 1.102 45.822 45.100 -0.634 0.000 0.758 350 G HN 0.627 nan 8.290 nan 0.000 0.559 351 H N -0.374 118.699 119.070 0.004 0.000 2.489 351 H HA 0.071 4.573 4.556 -0.090 0.000 0.293 351 H C 2.296 177.738 175.328 0.190 0.000 1.066 351 H CA 0.720 56.844 56.048 0.127 0.000 1.305 351 H CB 0.027 29.933 29.762 0.240 0.000 1.386 351 H HN 0.355 nan 8.280 nan 0.000 0.551 352 M N 0.085 119.870 119.600 0.308 0.000 2.561 352 M HA -0.001 4.425 4.480 -0.090 0.000 0.238 352 M C 0.641 177.073 176.300 0.220 0.000 1.131 352 M CA 0.834 56.287 55.300 0.255 0.000 1.046 352 M CB 0.386 33.103 32.600 0.196 0.000 1.532 352 M HN 0.300 nan 8.290 nan 0.000 0.497 353 E N 0.308 120.633 120.200 0.208 0.000 2.498 353 E HA 0.128 4.424 4.350 -0.090 0.000 0.203 353 E C -0.092 176.619 176.600 0.186 0.000 1.013 353 E CA -0.108 56.419 56.400 0.211 0.000 0.927 353 E CB 0.892 30.729 29.700 0.228 0.000 1.012 353 E HN 0.173 nan 8.360 nan 0.000 0.482 354 V N 4.340 124.361 119.914 0.178 0.000 2.432 354 V HA 0.155 4.221 4.120 -0.090 0.000 0.271 354 V C -1.998 174.198 176.094 0.170 0.000 1.046 354 V CA -1.585 60.812 62.300 0.161 0.000 0.945 354 V CB 0.561 32.479 31.823 0.159 0.000 0.992 354 V HN 0.030 nan 8.190 nan 0.000 0.471 355 P HA 0.242 nan 4.420 nan 0.000 0.279 355 P C 0.687 178.061 177.300 0.123 0.000 1.276 355 P CA -0.530 62.656 63.100 0.143 0.000 0.801 355 P CB 0.700 32.472 31.700 0.120 0.000 1.127 356 S N -2.189 113.580 115.700 0.115 0.000 2.489 356 S HA 0.038 4.454 4.470 -0.090 0.000 0.228 356 S C 0.867 175.495 174.600 0.047 0.000 0.995 356 S CA 0.639 58.891 58.200 0.087 0.000 0.934 356 S CB -1.090 62.160 63.200 0.083 0.000 0.771 356 S HN 0.729 nan 8.310 nan 0.000 0.522 357 T N -1.448 113.131 114.554 0.041 0.000 2.887 357 T HA 0.754 5.050 4.350 -0.090 0.000 0.292 357 T C -0.982 173.720 174.700 0.003 0.000 1.087 357 T CA -0.823 61.282 62.100 0.007 0.000 1.009 357 T CB 1.863 70.740 68.868 0.015 0.000 1.203 357 T HN -0.034 nan 8.240 nan 0.000 0.518 358 V N 1.249 121.148 119.914 -0.025 0.000 2.709 358 V HA 0.692 4.758 4.120 -0.090 0.000 0.308 358 V C -0.321 175.761 176.094 -0.020 0.000 1.062 358 V CA -0.681 61.605 62.300 -0.022 0.000 0.901 358 V CB 2.208 33.998 31.823 -0.055 0.000 1.003 358 V HN 1.141 nan 8.190 nan 0.000 0.425 359 S N 3.280 118.979 115.700 -0.002 0.000 2.568 359 S HA 0.766 5.181 4.470 -0.090 0.000 0.302 359 S C -0.602 173.990 174.600 -0.014 0.000 1.082 359 S CA -0.832 57.372 58.200 0.007 0.000 1.009 359 S CB 1.744 64.963 63.200 0.031 0.000 1.069 359 S HN 0.676 nan 8.310 nan 0.000 0.500 360 R N 1.272 121.775 120.500 0.005 0.000 2.445 360 R HA 0.666 4.952 4.340 -0.090 0.000 0.308 360 R C -1.026 175.291 176.300 0.028 0.000 0.961 360 R CA -0.277 55.799 56.100 -0.041 0.000 0.862 360 R CB 0.791 31.057 30.300 -0.057 0.000 1.144 360 R HN 0.447 nan 8.270 nan 0.000 0.447 361 L N 2.159 123.330 121.223 -0.086 0.000 2.342 361 L HA 0.505 4.791 4.340 -0.090 0.000 0.271 361 L C -0.170 176.623 176.870 -0.129 0.000 1.008 361 L CA -1.135 53.654 54.840 -0.084 0.000 0.818 361 L CB 1.913 43.861 42.059 -0.186 0.000 1.296 361 L HN 0.709 nan 8.230 nan 0.000 0.427 362 D N -0.511 119.886 120.400 -0.005 0.000 2.507 362 D HA 0.078 4.664 4.640 -0.090 0.000 0.280 362 D C 0.657 176.837 176.300 -0.201 0.000 1.219 362 D CA -0.484 53.546 54.000 0.050 0.000 1.085 362 D CB 0.431 41.362 40.800 0.217 0.000 1.134 362 D HN 0.535 nan 8.370 nan 0.000 0.583 363 E N -0.823 119.307 120.200 -0.116 0.000 2.268 363 E HA -0.152 4.144 4.350 -0.090 0.000 0.195 363 E C 0.554 177.072 176.600 -0.136 0.000 0.995 363 E CA 0.859 57.165 56.400 -0.157 0.000 0.836 363 E CB -0.688 28.981 29.700 -0.051 0.000 0.763 363 E HN 0.461 nan 8.360 nan 0.000 0.491 364 N N -0.080 118.563 118.700 -0.094 0.000 2.314 364 N HA 0.049 4.735 4.740 -0.090 0.000 0.200 364 N C -0.841 174.551 175.510 -0.197 0.000 1.135 364 N CA -0.174 52.844 53.050 -0.053 0.000 0.835 364 N CB 0.018 38.532 38.487 0.046 0.000 0.989 364 N HN 0.084 nan 8.380 nan 0.000 0.478 365 Y N 0.102 120.135 120.300 -0.446 0.000 3.689 365 Y HA -0.275 4.219 4.550 -0.093 0.000 0.221 365 Y C -0.207 175.559 175.900 -0.223 0.000 1.247 365 Y CA 0.339 58.158 58.100 -0.468 0.000 1.671 365 Y CB -1.713 36.164 38.460 -0.972 0.000 1.521 365 Y HN 0.262 nan 8.280 nan 0.000 0.632 366 Q N -0.180 119.601 119.800 -0.032 0.000 2.348 366 Q HA 0.438 4.724 4.340 -0.090 0.000 0.271 366 Q C -2.347 173.678 176.000 0.042 0.000 1.067 366 Q CA -2.188 53.628 55.803 0.022 0.000 0.839 366 Q CB 1.595 30.351 28.738 0.029 0.000 1.354 366 Q HN -0.126 nan 8.270 nan 0.000 0.447 367 P HA -0.166 nan 4.420 nan 0.000 0.259 367 P C -0.910 176.462 177.300 0.120 0.000 1.155 367 P CA 0.719 63.866 63.100 0.079 0.000 0.759 367 P CB 0.154 31.883 31.700 0.047 0.000 0.753 368 W N 5.771 127.044 121.300 -0.045 0.000 2.367 368 W HA 0.474 5.081 4.660 -0.087 0.000 0.329 368 W C 0.660 177.164 176.519 -0.024 0.000 1.066 368 W CA 1.285 58.605 57.345 -0.041 0.000 1.435 368 W CB 0.031 29.460 29.460 -0.052 0.000 1.296 368 W HN 0.827 nan 8.180 nan 0.000 0.401 369 G N 6.185 114.801 108.800 -0.306 0.000 2.782 369 G HA2 -0.264 3.642 3.960 -0.090 0.000 0.228 369 G HA3 -0.264 3.642 3.960 -0.090 0.000 0.228 369 G C -1.544 173.289 174.900 -0.111 0.000 1.372 369 G CA -0.346 44.570 45.100 -0.308 0.000 0.862 369 G HN 0.413 nan 8.290 nan 0.000 0.547 370 P HA 0.142 nan 4.420 nan 0.000 0.240 370 P C 0.458 177.751 177.300 -0.011 0.000 1.190 370 P CA 1.177 64.250 63.100 -0.045 0.000 0.781 370 P CB 0.262 31.933 31.700 -0.049 0.000 0.931 371 E N -0.392 119.812 120.200 0.006 0.000 3.646 371 E HA 0.393 4.688 4.350 -0.090 0.000 0.211 371 E C 0.900 177.534 176.600 0.057 0.000 1.034 371 E CA -0.342 56.075 56.400 0.028 0.000 1.341 371 E CB 0.629 30.350 29.700 0.034 0.000 1.202 371 E HN 0.037 nan 8.360 nan 0.000 0.447 372 A N 1.407 124.267 122.820 0.066 0.000 1.902 372 A HA -0.157 4.109 4.320 -0.090 0.000 0.217 372 A C 1.219 178.839 177.584 0.061 0.000 1.181 372 A CA 1.072 53.173 52.037 0.106 0.000 0.623 372 A CB 0.029 19.090 19.000 0.102 0.000 0.818 372 A HN 0.323 nan 8.150 nan 0.000 0.443 373 E N -0.180 120.039 120.200 0.032 0.000 2.156 373 E HA 0.581 4.877 4.350 -0.090 0.000 0.279 373 E C -1.450 175.142 176.600 -0.013 0.000 0.965 373 E CA -0.418 55.990 56.400 0.012 0.000 0.789 373 E CB 0.622 30.334 29.700 0.020 0.000 1.098 373 E HN 0.391 nan 8.360 nan 0.000 0.397 374 L N 5.407 126.605 121.223 -0.042 0.000 2.370 374 L HA 0.529 4.815 4.340 -0.090 0.000 0.266 374 L C -2.343 174.463 176.870 -0.106 0.000 1.002 374 L CA -2.618 52.171 54.840 -0.085 0.000 0.818 374 L CB 2.106 44.087 42.059 -0.128 0.000 1.325 374 L HN 0.493 nan 8.230 nan 0.000 0.418 375 P HA 0.074 nan 4.420 nan 0.000 0.276 375 P C 0.749 177.896 177.300 -0.255 0.000 1.230 375 P CA -0.292 62.725 63.100 -0.139 0.000 0.776 375 P CB 0.957 32.577 31.700 -0.133 0.000 0.888 376 L N 3.555 124.674 121.223 -0.173 0.000 2.043 376 L HA -0.236 4.050 4.340 -0.090 0.000 0.212 376 L C 2.375 178.875 176.870 -0.618 0.000 1.075 376 L CA 1.973 56.642 54.840 -0.285 0.000 0.752 376 L CB -0.736 41.252 42.059 -0.118 0.000 0.891 376 L HN 0.655 nan 8.230 nan 0.000 0.432 377 H N -1.347 117.458 119.070 -0.442 0.000 2.489 377 H HA -0.132 4.370 4.556 -0.090 0.000 0.295 377 H C 1.620 176.735 175.328 -0.356 0.000 1.082 377 H CA 1.574 57.331 56.048 -0.485 0.000 1.295 377 H CB -0.765 29.043 29.762 0.077 0.000 1.380 377 H HN 0.448 nan 8.280 nan 0.000 0.548 378 T N -1.233 112.873 114.554 -0.747 0.000 3.169 378 T HA 0.213 4.509 4.350 -0.090 0.000 0.250 378 T C 1.583 176.088 174.700 -0.325 0.000 1.111 378 T CA -0.100 61.719 62.100 -0.468 0.000 1.010 378 T CB -0.352 68.251 68.868 -0.441 0.000 0.984 378 T HN 0.331 nan 8.240 nan 0.000 0.537 379 L N -0.414 120.550 121.223 -0.431 0.000 2.766 379 L HA 0.471 4.757 4.340 -0.090 0.000 0.242 379 L C -0.327 176.435 176.870 -0.179 0.000 1.136 379 L CA -0.634 54.013 54.840 -0.322 0.000 0.933 379 L CB 0.040 41.914 42.059 -0.308 0.000 1.241 379 L HN 0.135 nan 8.230 nan 0.000 0.522 380 F N 0.693 120.648 119.950 0.008 0.000 2.541 380 F HA 0.160 4.632 4.527 -0.091 0.000 0.378 380 F C 0.750 176.584 175.800 0.057 0.000 1.068 380 F CA -0.660 57.349 58.000 0.015 0.000 1.199 380 F CB -0.657 38.491 39.000 0.248 0.000 1.091 380 F HN -0.027 nan 8.300 nan 0.000 0.555 381 F N 0.504 120.544 119.950 0.149 0.000 3.074 381 F HA -0.315 4.158 4.527 -0.089 0.000 0.289 381 F C 0.530 176.305 175.800 -0.042 0.000 0.863 381 F CA 0.201 58.224 58.000 0.037 0.000 1.121 381 F CB -1.249 37.793 39.000 0.071 0.000 1.169 381 F HN 0.490 nan 8.300 nan 0.000 0.570 382 N N 0.777 119.458 118.700 -0.033 0.000 2.609 382 N HA 0.265 4.951 4.740 -0.090 0.000 0.234 382 N C 0.852 176.212 175.510 -0.250 0.000 1.001 382 N CA 0.578 53.539 53.050 -0.148 0.000 0.926 382 N CB 1.008 39.331 38.487 -0.274 0.000 1.130 382 N HN 0.240 nan 8.380 nan 0.000 0.510 383 T N -0.557 113.862 114.554 -0.225 0.000 3.014 383 T HA 0.020 4.316 4.350 -0.090 0.000 0.250 383 T C 1.806 176.393 174.700 -0.188 0.000 1.060 383 T CA -0.344 61.559 62.100 -0.329 0.000 1.040 383 T CB -0.275 68.256 68.868 -0.563 0.000 0.971 383 T HN 0.635 nan 8.240 nan 0.000 0.497 384 W N 2.250 123.460 121.300 -0.151 0.000 2.402 384 W HA 0.078 4.685 4.660 -0.089 0.000 0.286 384 W C 1.423 177.908 176.519 -0.055 0.000 1.221 384 W CA -0.032 57.252 57.345 -0.101 0.000 1.257 384 W CB -0.673 28.728 29.460 -0.098 0.000 1.120 384 W HN 0.060 nan 8.180 nan 0.000 0.551 385 R N 0.993 121.037 120.500 -0.761 0.000 2.237 385 R HA -0.029 4.257 4.340 -0.090 0.000 0.219 385 R C 2.005 178.166 176.300 -0.232 0.000 1.080 385 R CA 1.009 56.717 56.100 -0.654 0.000 0.995 385 R CB -0.488 29.323 30.300 -0.815 0.000 0.875 385 R HN 0.412 nan 8.270 nan 0.000 0.462 386 I N -0.186 120.284 120.570 -0.167 0.000 2.272 386 I HA -0.203 3.913 4.170 -0.090 0.000 0.235 386 I C 1.947 178.083 176.117 0.031 0.000 1.071 386 I CA 0.697 61.967 61.300 -0.051 0.000 1.374 386 I CB -0.238 37.752 38.000 -0.016 0.000 1.121 386 I HN -0.071 nan 8.210 nan 0.000 0.420 387 I N 0.921 121.486 120.570 -0.008 0.000 2.208 387 I HA -0.290 3.826 4.170 -0.090 0.000 0.245 387 I C 1.923 178.138 176.117 0.163 0.000 1.097 387 I CA 1.860 63.181 61.300 0.036 0.000 1.363 387 I CB -0.343 37.684 38.000 0.046 0.000 1.051 387 I HN 0.080 nan 8.210 nan 0.000 0.413 388 K N -0.750 119.768 120.400 0.196 0.000 2.372 388 K HA 0.073 4.339 4.320 -0.090 0.000 0.200 388 K C -0.063 176.698 176.600 0.267 0.000 1.022 388 K CA 0.195 56.629 56.287 0.245 0.000 1.125 388 K CB 0.424 33.101 32.500 0.295 0.000 0.855 388 K HN 0.030 nan 8.250 nan 0.000 0.524 389 D N -0.442 120.092 120.400 0.223 0.000 3.100 389 D HA 0.175 4.761 4.640 -0.090 0.000 0.350 389 D C 0.283 176.708 176.300 0.209 0.000 1.310 389 D CA 0.316 54.487 54.000 0.285 0.000 0.741 389 D CB 0.528 41.460 40.800 0.220 0.000 1.248 389 D HN 0.215 nan 8.370 nan 0.000 0.527 390 G N -0.252 108.665 108.800 0.195 0.000 2.231 390 G HA2 0.137 4.043 3.960 -0.090 0.000 0.206 390 G HA3 0.137 4.043 3.960 -0.090 0.000 0.206 390 G C 0.971 175.848 174.900 -0.039 0.000 0.996 390 G CA 0.347 45.386 45.100 -0.101 0.000 0.645 390 G HN 1.230 nan 8.290 nan 0.000 0.498 391 G N -0.174 108.679 108.800 0.089 0.000 2.645 391 G HA2 0.033 3.939 3.960 -0.090 0.000 0.239 391 G HA3 0.033 3.939 3.960 -0.090 0.000 0.239 391 G C 0.903 175.830 174.900 0.046 0.000 1.331 391 G CA 1.013 46.227 45.100 0.189 0.000 0.890 391 G HN 1.782 nan 8.290 nan 0.000 0.572 392 I N -2.861 117.746 120.570 0.061 0.000 3.603 392 I HA 0.310 4.426 4.170 -0.090 0.000 0.297 392 I C 1.629 177.687 176.117 -0.099 0.000 1.269 392 I CA 1.432 62.727 61.300 -0.009 0.000 1.361 392 I CB 0.018 38.043 38.000 0.042 0.000 1.063 392 I HN 0.292 nan 8.210 nan 0.000 0.448 393 D N 2.736 123.051 120.400 -0.142 0.000 2.106 393 D HA -0.113 4.473 4.640 -0.090 0.000 0.191 393 D C -0.267 175.879 176.300 -0.257 0.000 0.997 393 D CA 1.811 55.699 54.000 -0.187 0.000 0.834 393 D CB -1.728 38.950 40.800 -0.203 0.000 0.956 393 D HN 0.323 nan 8.370 nan 0.000 0.448 394 P HA -0.045 nan 4.420 nan 0.000 0.220 394 P C 1.600 178.731 177.300 -0.282 0.000 1.148 394 P CA 0.734 63.559 63.100 -0.458 0.000 0.803 394 P CB 0.041 31.213 31.700 -0.881 0.000 0.782 395 L N -1.543 119.550 121.223 -0.216 0.000 2.095 395 L HA -0.097 4.188 4.340 -0.090 0.000 0.204 395 L C 2.370 179.209 176.870 -0.053 0.000 1.080 395 L CA 1.028 55.798 54.840 -0.116 0.000 0.759 395 L CB -0.975 41.032 42.059 -0.087 0.000 0.914 395 L HN -0.171 nan 8.230 nan 0.000 0.439 396 V N -0.051 119.834 119.914 -0.049 0.000 2.343 396 V HA -0.304 3.762 4.120 -0.090 0.000 0.247 396 V C 2.624 178.742 176.094 0.039 0.000 1.051 396 V CA 1.800 64.109 62.300 0.015 0.000 1.036 396 V CB -0.537 31.287 31.823 0.001 0.000 0.654 396 V HN 0.389 nan 8.190 nan 0.000 0.451 397 R N -0.175 120.293 120.500 -0.053 0.000 2.115 397 R HA -0.086 4.200 4.340 -0.090 0.000 0.230 397 R C 2.427 178.789 176.300 0.104 0.000 1.111 397 R CA 1.305 57.384 56.100 -0.035 0.000 0.976 397 R CB -0.753 29.234 30.300 -0.522 0.000 0.870 397 R HN 0.604 nan 8.270 nan 0.000 0.445 398 G N 0.853 109.665 108.800 0.020 0.000 2.418 398 G HA2 -0.246 3.660 3.960 -0.090 0.000 0.217 398 G HA3 -0.246 3.660 3.960 -0.090 0.000 0.217 398 G C 1.375 176.339 174.900 0.106 0.000 1.158 398 G CA 0.428 45.564 45.100 0.061 0.000 0.771 398 G HN 0.165 nan 8.290 nan 0.000 0.545 399 L N -0.254 121.025 121.223 0.093 0.000 2.127 399 L HA -0.033 4.252 4.340 -0.090 0.000 0.211 399 L C 2.816 179.756 176.870 0.117 0.000 1.089 399 L CA 0.651 55.548 54.840 0.094 0.000 0.757 399 L CB -0.182 41.928 42.059 0.086 0.000 0.899 399 L HN 0.236 nan 8.230 nan 0.000 0.434 400 L N -1.424 119.913 121.223 0.190 0.000 2.168 400 L HA -0.004 4.282 4.340 -0.090 0.000 0.203 400 L C 2.526 179.581 176.870 0.309 0.000 1.078 400 L CA 0.847 55.827 54.840 0.233 0.000 0.780 400 L CB -0.444 41.835 42.059 0.366 0.000 0.939 400 L HN 0.133 nan 8.230 nan 0.000 0.451 401 A N -1.209 121.827 122.820 0.360 0.000 2.147 401 A HA 0.094 4.360 4.320 -0.090 0.000 0.211 401 A C 1.032 178.738 177.584 0.203 0.000 1.160 401 A CA 0.375 52.607 52.037 0.324 0.000 0.781 401 A CB 0.095 19.279 19.000 0.306 0.000 0.842 401 A HN 0.012 nan 8.150 nan 0.000 0.475 402 K N 0.587 121.086 120.400 0.165 0.000 2.177 402 K HA 0.402 4.668 4.320 -0.090 0.000 0.238 402 K C -0.913 175.761 176.600 0.124 0.000 1.015 402 K CA -0.674 55.690 56.287 0.127 0.000 0.922 402 K CB 0.377 32.941 32.500 0.106 0.000 1.127 402 K HN 0.139 nan 8.250 nan 0.000 0.469 403 N N -0.457 118.311 118.700 0.113 0.000 2.459 403 N HA 0.285 4.971 4.740 -0.090 0.000 0.288 403 N C -0.450 175.142 175.510 0.138 0.000 1.186 403 N CA -0.393 52.728 53.050 0.118 0.000 0.917 403 N CB 1.223 39.768 38.487 0.096 0.000 1.219 403 N HN 0.284 nan 8.380 nan 0.000 0.525 404 S N -0.073 115.731 115.700 0.173 0.000 2.645 404 S HA 0.192 4.608 4.470 -0.090 0.000 0.266 404 S C 0.297 175.001 174.600 0.173 0.000 1.258 404 S CA -0.556 57.770 58.200 0.211 0.000 0.990 404 S CB 0.848 64.254 63.200 0.342 0.000 0.967 404 S HN 0.406 nan 8.310 nan 0.000 0.556 405 K N 0.957 121.464 120.400 0.178 0.000 2.185 405 K HA 0.315 4.581 4.320 -0.090 0.000 0.271 405 K C -0.827 175.868 176.600 0.159 0.000 1.013 405 K CA -0.536 55.843 56.287 0.154 0.000 0.943 405 K CB 0.382 32.983 32.500 0.168 0.000 0.998 405 K HN 0.370 nan 8.250 nan 0.000 0.468 406 L N 4.587 125.875 121.223 0.109 0.000 2.312 406 L HA 0.249 4.535 4.340 -0.090 0.000 0.281 406 L C -0.140 176.774 176.870 0.073 0.000 1.070 406 L CA -0.253 54.642 54.840 0.092 0.000 0.805 406 L CB 1.207 43.293 42.059 0.044 0.000 1.174 406 L HN 0.738 nan 8.230 nan 0.000 0.434 407 M N 5.209 124.866 119.600 0.095 0.000 2.252 407 M HA 0.078 4.504 4.480 -0.090 0.000 0.348 407 M C -0.626 175.676 176.300 0.003 0.000 1.334 407 M CA 0.725 56.062 55.300 0.062 0.000 1.071 407 M CB -0.346 32.302 32.600 0.080 0.000 1.763 407 M HN 0.711 nan 8.290 nan 0.000 0.452 408 N N 3.732 122.410 118.700 -0.037 0.000 2.454 408 N HA 0.186 4.872 4.740 -0.090 0.000 0.291 408 N C 0.139 175.604 175.510 -0.075 0.000 1.079 408 N CA -0.195 52.813 53.050 -0.070 0.000 0.893 408 N CB 1.284 39.699 38.487 -0.121 0.000 1.512 408 N HN 0.651 nan 8.380 nan 0.000 0.497 409 Q N 1.123 120.888 119.800 -0.058 0.000 2.217 409 Q HA -0.121 4.165 4.340 -0.090 0.000 0.209 409 Q C 0.545 176.515 176.000 -0.049 0.000 0.988 409 Q CA 1.599 57.370 55.803 -0.053 0.000 0.878 409 Q CB 0.138 28.850 28.738 -0.045 0.000 0.909 409 Q HN 0.560 nan 8.270 nan 0.000 0.424 410 N N 0.085 118.748 118.700 -0.063 0.000 2.373 410 N HA 0.021 4.707 4.740 -0.090 0.000 0.181 410 N C -0.257 175.192 175.510 -0.102 0.000 1.082 410 N CA 0.578 53.596 53.050 -0.053 0.000 0.885 410 N CB 0.559 39.018 38.487 -0.046 0.000 0.977 410 N HN 0.126 nan 8.380 nan 0.000 0.462 411 K N 0.551 120.816 120.400 -0.226 0.000 2.827 411 K HA 0.363 4.629 4.320 -0.090 0.000 0.186 411 K C 0.494 176.883 176.600 -0.351 0.000 1.093 411 K CA -0.078 55.846 56.287 -0.605 0.000 0.993 411 K CB 1.180 32.986 32.500 -1.158 0.000 1.199 411 K HN -0.101 nan 8.250 nan 0.000 0.598 412 M N 0.028 119.638 119.600 0.016 0.000 2.074 412 M HA 0.008 4.434 4.480 -0.090 0.000 0.258 412 M C 0.585 177.047 176.300 0.270 0.000 1.083 412 M CA 1.234 56.603 55.300 0.114 0.000 1.128 412 M CB 0.237 32.898 32.600 0.102 0.000 1.301 412 M HN 0.034 nan 8.290 nan 0.000 0.417 413 V N 0.447 120.604 119.914 0.405 0.000 2.483 413 V HA 0.169 4.235 4.120 -0.090 0.000 0.297 413 V C -0.038 176.265 176.094 0.348 0.000 1.027 413 V CA -0.823 61.703 62.300 0.377 0.000 0.855 413 V CB 1.603 33.631 31.823 0.342 0.000 0.995 413 V HN 0.336 nan 8.190 nan 0.000 0.424 414 T N 3.053 117.791 114.554 0.306 0.000 2.946 414 T HA -0.016 4.280 4.350 -0.090 0.000 0.312 414 T C 1.469 176.171 174.700 0.003 0.000 1.066 414 T CA 0.689 62.833 62.100 0.074 0.000 1.138 414 T CB 0.715 69.673 68.868 0.150 0.000 1.014 414 T HN 0.801 nan 8.240 nan 0.000 0.544 415 S N 3.229 118.848 115.700 -0.135 0.000 2.440 415 S HA -0.088 4.328 4.470 -0.090 0.000 0.238 415 S C 1.920 176.539 174.600 0.032 0.000 1.010 415 S CA 0.712 58.871 58.200 -0.068 0.000 0.972 415 S CB -0.177 62.944 63.200 -0.131 0.000 0.774 415 S HN 0.714 nan 8.310 nan 0.000 0.501 416 E N 1.034 121.285 120.200 0.085 0.000 2.153 416 E HA -0.060 4.236 4.350 -0.090 0.000 0.194 416 E C 1.794 178.578 176.600 0.308 0.000 0.988 416 E CA 0.853 57.369 56.400 0.194 0.000 0.811 416 E CB -0.184 29.630 29.700 0.190 0.000 0.746 416 E HN 0.502 nan 8.360 nan 0.000 0.466 417 L N -0.606 120.757 121.223 0.232 0.000 2.470 417 L HA 0.150 4.435 4.340 -0.090 0.000 0.219 417 L C 2.532 179.477 176.870 0.126 0.000 1.071 417 L CA 0.116 55.078 54.840 0.204 0.000 0.850 417 L CB -0.001 42.139 42.059 0.135 0.000 1.040 417 L HN -0.068 nan 8.230 nan 0.000 0.475 418 R N -0.085 120.479 120.500 0.107 0.000 2.200 418 R HA -0.001 4.285 4.340 -0.090 0.000 0.208 418 R C 1.324 177.662 176.300 0.064 0.000 1.033 418 R CA 0.832 56.982 56.100 0.084 0.000 1.000 418 R CB 0.305 30.654 30.300 0.081 0.000 0.906 418 R HN 0.324 nan 8.270 nan 0.000 0.462 419 N N -0.743 117.992 118.700 0.059 0.000 2.266 419 N HA 0.063 4.749 4.740 -0.090 0.000 0.217 419 N C 0.085 175.634 175.510 0.066 0.000 1.211 419 N CA 0.399 53.465 53.050 0.026 0.000 0.881 419 N CB 0.878 39.349 38.487 -0.026 0.000 1.153 419 N HN 0.049 nan 8.380 nan 0.000 0.489 420 K N 0.647 121.128 120.400 0.135 0.000 2.506 420 K HA 0.213 4.479 4.320 -0.090 0.000 0.204 420 K C -0.165 176.724 176.600 0.481 0.000 1.045 420 K CA -0.391 56.032 56.287 0.227 0.000 1.074 420 K CB 1.094 33.621 32.500 0.045 0.000 0.842 420 K HN -0.070 nan 8.250 nan 0.000 0.514 421 L N 1.391 122.829 121.223 0.359 0.000 2.485 421 L HA 0.152 4.438 4.340 -0.090 0.000 0.275 421 L C -0.487 176.530 176.870 0.246 0.000 1.207 421 L CA 0.235 55.194 54.840 0.199 0.000 0.855 421 L CB 0.109 42.173 42.059 0.008 0.000 1.114 421 L HN 0.019 nan 8.230 nan 0.000 0.485 422 F N 4.644 124.524 119.950 -0.117 0.000 2.411 422 F HA 0.415 4.888 4.527 -0.091 0.000 0.352 422 F C -0.213 175.468 175.800 -0.197 0.000 1.123 422 F CA -0.411 57.517 58.000 -0.119 0.000 1.044 422 F CB 0.826 39.719 39.000 -0.177 0.000 1.135 422 F HN 0.461 nan 8.300 nan 0.000 0.461 423 Q N 8.253 127.542 119.800 -0.852 0.000 2.290 423 Q HA 0.235 4.521 4.340 -0.090 0.000 0.259 423 Q C -1.779 173.676 176.000 -0.907 0.000 0.941 423 Q CA -1.872 53.467 55.803 -0.774 0.000 0.912 423 Q CB 1.868 29.981 28.738 -1.041 0.000 1.244 423 Q HN 0.471 nan 8.270 nan 0.000 0.441 424 P HA -0.166 nan 4.420 nan 0.000 0.219 424 P C 0.726 177.652 177.300 -0.623 0.000 1.144 424 P CA 1.393 64.033 63.100 -0.766 0.000 0.806 424 P CB 0.405 31.697 31.700 -0.681 0.000 0.771 425 T N -2.094 112.071 114.554 -0.649 0.000 3.040 425 T HA 0.043 4.339 4.350 -0.090 0.000 0.252 425 T C 1.012 175.200 174.700 -0.854 0.000 1.064 425 T CA 0.437 62.104 62.100 -0.721 0.000 1.110 425 T CB -0.165 68.219 68.868 -0.805 0.000 0.921 425 T HN 0.267 nan 8.240 nan 0.000 0.480 426 H N 0.793 119.585 119.070 -0.463 0.000 2.889 426 H HA 0.476 4.977 4.556 -0.090 0.000 0.279 426 H C 0.449 175.477 175.328 -0.499 0.000 1.553 426 H CA -0.394 55.460 56.048 -0.323 0.000 1.593 426 H CB 0.960 30.690 29.762 -0.054 0.000 1.718 426 H HN 0.037 nan 8.280 nan 0.000 0.901 427 K N 0.299 120.632 120.400 -0.113 0.000 2.477 427 K HA 0.202 4.468 4.320 -0.090 0.000 0.208 427 K C -0.122 176.702 176.600 0.373 0.000 1.117 427 K CA 0.038 56.294 56.287 -0.052 0.000 1.039 427 K CB 1.170 33.698 32.500 0.047 0.000 0.937 427 K HN 0.238 nan 8.250 nan 0.000 0.570 428 V N -0.837 119.236 119.914 0.265 0.000 2.732 428 V HA 0.388 4.454 4.120 -0.090 0.000 0.310 428 V C -0.427 175.944 176.094 0.461 0.000 1.053 428 V CA -0.960 61.564 62.300 0.372 0.000 0.957 428 V CB 1.281 33.219 31.823 0.192 0.000 1.018 428 V HN 0.116 nan 8.190 nan 0.000 0.452 429 H N 2.542 121.895 119.070 0.471 0.000 2.652 429 H HA 0.630 5.132 4.556 -0.090 0.000 0.233 429 H C 0.871 176.364 175.328 0.275 0.000 1.762 429 H CA 0.540 56.885 56.048 0.495 0.000 1.285 429 H CB 0.612 30.652 29.762 0.463 0.000 1.668 429 H HN 1.045 nan 8.280 nan 0.000 0.550 430 G N 0.854 109.830 108.800 0.293 0.000 4.213 430 G HA2 0.061 3.967 3.960 -0.090 0.000 0.274 430 G HA3 0.061 3.967 3.960 -0.090 0.000 0.274 430 G C -0.273 174.618 174.900 -0.016 0.000 1.033 430 G CA -0.174 44.977 45.100 0.084 0.000 0.822 430 G HN 0.199 nan 8.290 nan 0.000 0.432 431 F N 0.721 120.699 119.950 0.046 0.000 2.362 431 F HA 0.565 5.038 4.527 -0.089 0.000 0.311 431 F C 0.057 175.870 175.800 0.022 0.000 1.161 431 F CA -0.642 57.366 58.000 0.013 0.000 1.085 431 F CB 1.329 40.302 39.000 -0.046 0.000 1.311 431 F HN -0.117 nan 8.300 nan 0.000 0.524 432 D N 1.487 122.029 120.400 0.237 0.000 2.440 432 D HA 0.154 4.740 4.640 -0.090 0.000 0.252 432 D C 0.569 176.912 176.300 0.072 0.000 1.180 432 D CA -0.363 53.711 54.000 0.124 0.000 0.894 432 D CB 1.168 42.025 40.800 0.095 0.000 1.111 432 D HN 0.371 nan 8.370 nan 0.000 0.544 433 L N 4.754 125.981 121.223 0.006 0.000 2.013 433 L HA -0.087 4.199 4.340 -0.090 0.000 0.212 433 L C 2.063 178.837 176.870 -0.159 0.000 1.073 433 L CA 2.607 57.383 54.840 -0.107 0.000 0.753 433 L CB -0.720 41.204 42.059 -0.224 0.000 0.890 433 L HN 0.483 nan 8.230 nan 0.000 0.432 434 A N -0.460 122.306 122.820 -0.089 0.000 1.873 434 A HA -0.216 4.050 4.320 -0.090 0.000 0.218 434 A C 2.466 179.960 177.584 -0.150 0.000 1.193 434 A CA 2.429 54.385 52.037 -0.135 0.000 0.629 434 A CB -1.390 17.743 19.000 0.221 0.000 0.826 434 A HN 0.614 nan 8.150 nan 0.000 0.447 435 A N -0.559 122.245 122.820 -0.027 0.000 1.933 435 A HA -0.081 4.185 4.320 -0.090 0.000 0.218 435 A C 2.122 179.652 177.584 -0.090 0.000 1.175 435 A CA 1.588 53.604 52.037 -0.035 0.000 0.628 435 A CB -0.605 18.393 19.000 -0.003 0.000 0.814 435 A HN 0.513 nan 8.150 nan 0.000 0.444 436 I N -0.030 120.515 120.570 -0.042 0.000 2.252 436 I HA -0.284 3.832 4.170 -0.090 0.000 0.245 436 I C 2.239 178.364 176.117 0.013 0.000 1.102 436 I CA 1.529 62.870 61.300 0.069 0.000 1.385 436 I CB -0.473 37.607 38.000 0.134 0.000 1.064 436 I HN 0.440 nan 8.210 nan 0.000 0.414 437 N N 0.582 119.152 118.700 -0.217 0.000 2.104 437 N HA -0.189 4.497 4.740 -0.090 0.000 0.190 437 N C 1.909 177.287 175.510 -0.220 0.000 1.024 437 N CA 1.120 53.951 53.050 -0.365 0.000 0.853 437 N CB -0.134 37.601 38.487 -1.253 0.000 1.008 437 N HN 0.258 nan 8.380 nan 0.000 0.424 438 L N 0.558 121.676 121.223 -0.175 0.000 2.027 438 L HA -0.193 4.093 4.340 -0.090 0.000 0.206 438 L C 2.656 179.482 176.870 -0.072 0.000 1.074 438 L CA 1.095 55.917 54.840 -0.030 0.000 0.745 438 L CB -0.441 41.651 42.059 0.055 0.000 0.898 438 L HN 0.172 nan 8.230 nan 0.000 0.433 439 Q N 0.247 119.936 119.800 -0.184 0.000 2.061 439 Q HA -0.257 4.029 4.340 -0.090 0.000 0.204 439 Q C 2.246 178.220 176.000 -0.043 0.000 0.984 439 Q CA 1.715 57.291 55.803 -0.379 0.000 0.846 439 Q CB -0.107 27.997 28.738 -1.058 0.000 0.902 439 Q HN 0.093 nan 8.270 nan 0.000 0.421 440 R N -0.678 119.934 120.500 0.186 0.000 2.091 440 R HA -0.097 4.189 4.340 -0.090 0.000 0.238 440 R C 2.210 178.581 176.300 0.119 0.000 1.136 440 R CA 1.779 58.138 56.100 0.432 0.000 0.959 440 R CB -1.032 29.565 30.300 0.496 0.000 0.856 440 R HN 0.460 nan 8.270 nan 0.000 0.437 441 C N -0.185 118.926 119.300 -0.315 0.000 2.401 441 C HA -0.103 4.302 4.460 -0.090 0.000 0.276 441 C C 2.518 177.442 174.990 -0.112 0.000 1.233 441 C CA 1.175 59.798 59.018 -0.659 0.000 1.753 441 C CB -0.925 26.525 27.740 -0.482 0.000 2.029 441 C HN 0.508 nan 8.230 nan 0.000 0.478 442 R N 0.576 121.131 120.500 0.091 0.000 2.075 442 R HA -0.122 4.164 4.340 -0.090 0.000 0.232 442 R C 1.953 178.457 176.300 0.341 0.000 1.126 442 R CA 1.736 57.986 56.100 0.251 0.000 0.963 442 R CB -0.520 29.986 30.300 0.345 0.000 0.858 442 R HN 0.507 nan 8.270 nan 0.000 0.435 443 D N 0.315 120.996 120.400 0.469 0.000 2.123 443 D HA -0.183 4.403 4.640 -0.090 0.000 0.196 443 D C 1.232 177.824 176.300 0.488 0.000 0.992 443 D CA 1.366 55.681 54.000 0.525 0.000 0.833 443 D CB -0.075 41.169 40.800 0.739 0.000 0.954 443 D HN 0.400 nan 8.370 nan 0.000 0.455 444 H N -1.398 117.844 119.070 0.287 0.000 2.533 444 H HA 0.241 4.743 4.556 -0.090 0.000 0.271 444 H C 1.021 176.392 175.328 0.072 0.000 1.000 444 H CA 0.217 56.423 56.048 0.264 0.000 1.149 444 H CB 0.268 30.275 29.762 0.409 0.000 1.375 444 H HN 0.291 nan 8.280 nan 0.000 0.582 445 G N 1.601 110.375 108.800 -0.042 0.000 2.221 445 G HA2 -0.273 3.633 3.960 -0.090 0.000 0.265 445 G HA3 -0.273 3.633 3.960 -0.090 0.000 0.265 445 G C 0.279 175.065 174.900 -0.191 0.000 1.041 445 G CA -0.138 44.595 45.100 -0.612 0.000 0.807 445 G HN 0.139 nan 8.290 nan 0.000 0.502 446 M N 0.181 119.779 119.600 -0.003 0.000 2.239 446 M HA 0.220 4.646 4.480 -0.090 0.000 0.348 446 M C -1.577 174.793 176.300 0.116 0.000 1.239 446 M CA -1.974 53.391 55.300 0.109 0.000 1.114 446 M CB -0.121 32.511 32.600 0.052 0.000 1.641 446 M HN -0.036 nan 8.290 nan 0.000 0.453 447 P HA 0.115 nan 4.420 nan 0.000 0.271 447 P C 0.236 177.589 177.300 0.089 0.000 1.233 447 P CA -0.094 62.995 63.100 -0.018 0.000 0.789 447 P CB 0.430 31.904 31.700 -0.375 0.000 0.951 448 G N -0.434 108.364 108.800 -0.003 0.000 2.588 448 G HA2 0.025 3.931 3.960 -0.090 0.000 0.281 448 G HA3 0.025 3.931 3.960 -0.090 0.000 0.281 448 G C 0.267 175.273 174.900 0.177 0.000 1.236 448 G CA -0.196 44.950 45.100 0.076 0.000 0.969 448 G HN 0.473 nan 8.290 nan 0.000 0.504 449 Y N 0.335 120.671 120.300 0.060 0.000 2.114 449 Y HA -0.235 4.261 4.550 -0.091 0.000 0.282 449 Y C 2.568 178.527 175.900 0.098 0.000 1.165 449 Y CA 2.561 60.720 58.100 0.098 0.000 1.148 449 Y CB -0.089 38.361 38.460 -0.018 0.000 0.972 449 Y HN 0.423 nan 8.280 nan 0.000 0.504 450 N N -0.350 118.317 118.700 -0.056 0.000 2.244 450 N HA -0.134 4.552 4.740 -0.090 0.000 0.183 450 N C 1.988 177.417 175.510 -0.135 0.000 1.016 450 N CA 1.349 54.305 53.050 -0.156 0.000 0.866 450 N CB -0.378 38.084 38.487 -0.041 0.000 0.980 450 N HN 0.345 nan 8.380 nan 0.000 0.430 451 S N -0.260 115.348 115.700 -0.153 0.000 2.368 451 S HA -0.112 4.304 4.470 -0.090 0.000 0.225 451 S C 1.622 176.051 174.600 -0.285 0.000 1.030 451 S CA 0.946 58.986 58.200 -0.267 0.000 0.999 451 S CB -0.316 62.627 63.200 -0.429 0.000 0.844 451 S HN 0.509 nan 8.310 nan 0.000 0.459 452 W N 1.618 122.901 121.300 -0.028 0.000 2.476 452 W HA 0.114 4.721 4.660 -0.089 0.000 0.281 452 W C 2.492 179.022 176.519 0.018 0.000 1.230 452 W CA -0.242 57.114 57.345 0.018 0.000 1.287 452 W CB -0.090 29.366 29.460 -0.006 0.000 1.108 452 W HN 0.054 nan 8.180 nan 0.000 0.567 453 R N 0.193 120.702 120.500 0.016 0.000 2.091 453 R HA -0.107 4.178 4.340 -0.090 0.000 0.238 453 R C 2.295 178.620 176.300 0.040 0.000 1.136 453 R CA 1.626 57.686 56.100 -0.066 0.000 0.959 453 R CB -1.555 28.574 30.300 -0.284 0.000 0.856 453 R HN 0.362 nan 8.270 nan 0.000 0.437 454 G N 0.028 108.846 108.800 0.031 0.000 2.404 454 G HA2 -0.278 3.628 3.960 -0.090 0.000 0.215 454 G HA3 -0.278 3.628 3.960 -0.090 0.000 0.215 454 G C 1.387 176.356 174.900 0.115 0.000 1.174 454 G CA 0.318 45.444 45.100 0.044 0.000 0.780 454 G HN 0.309 nan 8.290 nan 0.000 0.537 455 F N 1.069 121.027 119.950 0.014 0.000 2.192 455 F HA -0.133 4.340 4.527 -0.091 0.000 0.301 455 F C 2.031 177.906 175.800 0.125 0.000 1.079 455 F CA 1.111 59.159 58.000 0.080 0.000 1.303 455 F CB -0.095 39.024 39.000 0.199 0.000 1.024 455 F HN 0.153 nan 8.300 nan 0.000 0.494 456 c N 0.844 119.588 118.600 0.240 0.000 2.625 456 c HA 0.415 4.931 4.570 -0.090 0.000 0.285 456 c C 1.674 175.841 174.090 0.128 0.000 1.279 456 c CA 0.472 56.895 56.329 0.156 0.000 1.698 456 c CB -1.402 41.239 42.510 0.219 0.000 1.821 456 c HN 0.852 nan 8.230 nan 0.000 0.600 457 G N 1.359 110.199 108.800 0.066 0.000 2.249 457 G HA2 -0.246 3.660 3.960 -0.090 0.000 0.273 457 G HA3 -0.246 3.660 3.960 -0.090 0.000 0.273 457 G C -0.178 174.756 174.900 0.057 0.000 1.036 457 G CA 0.288 45.416 45.100 0.047 0.000 0.824 457 G HN 0.559 nan 8.290 nan 0.000 0.504 458 L N 0.270 121.527 121.223 0.057 0.000 2.322 458 L HA 0.697 4.983 4.340 -0.090 0.000 0.269 458 L C 1.263 178.139 176.870 0.011 0.000 1.012 458 L CA -0.636 54.229 54.840 0.041 0.000 0.815 458 L CB 1.739 43.826 42.059 0.047 0.000 1.295 458 L HN 0.334 nan 8.230 nan 0.000 0.438 459 S N 0.404 116.111 115.700 0.011 0.000 2.573 459 S HA 0.189 4.605 4.470 -0.090 0.000 0.277 459 S C -0.416 174.175 174.600 -0.015 0.000 1.346 459 S CA -0.632 57.571 58.200 0.005 0.000 1.034 459 S CB 0.532 63.742 63.200 0.017 0.000 0.879 459 S HN 0.587 nan 8.310 nan 0.000 0.528 460 Q N 1.769 121.562 119.800 -0.012 0.000 2.368 460 Q HA 0.374 4.659 4.340 -0.090 0.000 0.263 460 Q C -2.628 173.383 176.000 0.017 0.000 1.009 460 Q CA -1.970 53.819 55.803 -0.025 0.000 0.818 460 Q CB 1.233 29.953 28.738 -0.029 0.000 1.239 460 Q HN 0.474 nan 8.270 nan 0.000 0.464 461 P HA -0.053 nan 4.420 nan 0.000 0.261 461 P C -0.016 177.320 177.300 0.060 0.000 1.203 461 P CA 0.228 63.373 63.100 0.076 0.000 0.767 461 P CB 0.687 32.464 31.700 0.129 0.000 0.785 462 K N 0.543 120.969 120.400 0.043 0.000 2.354 462 K HA 0.105 4.371 4.320 -0.090 0.000 0.194 462 K C 1.014 177.635 176.600 0.034 0.000 1.045 462 K CA 0.739 57.050 56.287 0.040 0.000 1.026 462 K CB 0.209 32.730 32.500 0.034 0.000 0.866 462 K HN 0.495 nan 8.250 nan 0.000 0.530 463 T N -2.709 111.864 114.554 0.031 0.000 2.930 463 T HA 0.324 4.620 4.350 -0.090 0.000 0.290 463 T C 1.157 175.867 174.700 0.017 0.000 1.052 463 T CA -0.857 61.256 62.100 0.022 0.000 1.017 463 T CB 1.578 70.458 68.868 0.020 0.000 1.137 463 T HN -0.094 nan 8.240 nan 0.000 0.511 464 L N 0.371 121.598 121.223 0.007 0.000 2.013 464 L HA -0.122 4.164 4.340 -0.090 0.000 0.212 464 L C 2.551 179.425 176.870 0.007 0.000 1.073 464 L CA 2.063 56.904 54.840 0.002 0.000 0.753 464 L CB -0.481 41.576 42.059 -0.003 0.000 0.890 464 L HN 0.789 nan 8.230 nan 0.000 0.432 465 K N 0.190 120.595 120.400 0.009 0.000 2.057 465 K HA -0.110 4.155 4.320 -0.090 0.000 0.207 465 K C 1.863 178.473 176.600 0.016 0.000 1.049 465 K CA 1.560 57.853 56.287 0.011 0.000 0.931 465 K CB -0.855 31.651 32.500 0.011 0.000 0.714 465 K HN 0.433 nan 8.250 nan 0.000 0.440 466 G N 0.376 109.189 108.800 0.021 0.000 2.402 466 G HA2 -0.209 3.697 3.960 -0.090 0.000 0.216 466 G HA3 -0.209 3.697 3.960 -0.090 0.000 0.216 466 G C 1.399 176.322 174.900 0.038 0.000 1.162 466 G CA 0.807 45.925 45.100 0.030 0.000 0.777 466 G HN 0.309 nan 8.290 nan 0.000 0.539 467 L N 0.326 121.569 121.223 0.034 0.000 2.093 467 L HA 0.068 4.354 4.340 -0.090 0.000 0.208 467 L C 2.907 179.787 176.870 0.015 0.000 1.085 467 L CA 1.613 56.472 54.840 0.032 0.000 0.755 467 L CB -0.589 41.474 42.059 0.008 0.000 0.904 467 L HN 0.289 nan 8.230 nan 0.000 0.435 468 Q N -0.857 118.948 119.800 0.009 0.000 2.045 468 Q HA -0.251 4.035 4.340 -0.090 0.000 0.206 468 Q C 2.253 178.259 176.000 0.010 0.000 0.991 468 Q CA 2.032 57.838 55.803 0.004 0.000 0.851 468 Q CB -0.407 28.333 28.738 0.003 0.000 0.911 468 Q HN 0.669 nan 8.270 nan 0.000 0.418 469 A N 0.038 122.868 122.820 0.016 0.000 1.933 469 A HA -0.144 4.122 4.320 -0.090 0.000 0.218 469 A C 2.284 179.883 177.584 0.026 0.000 1.175 469 A CA 1.454 53.502 52.037 0.019 0.000 0.628 469 A CB -0.590 18.422 19.000 0.020 0.000 0.814 469 A HN 0.234 nan 8.150 nan 0.000 0.444 470 V N -0.554 119.384 119.914 0.040 0.000 2.379 470 V HA -0.145 3.921 4.120 -0.090 0.000 0.245 470 V C 2.274 178.395 176.094 0.044 0.000 1.044 470 V CA 1.489 63.824 62.300 0.058 0.000 1.036 470 V CB -0.566 31.320 31.823 0.105 0.000 0.664 470 V HN 0.451 nan 8.190 nan 0.000 0.453 471 L N -0.502 120.735 121.223 0.023 0.000 2.395 471 L HA 0.124 4.410 4.340 -0.090 0.000 0.218 471 L C 1.325 178.192 176.870 -0.004 0.000 1.130 471 L CA 0.862 55.701 54.840 -0.002 0.000 0.826 471 L CB -1.246 40.795 42.059 -0.031 0.000 0.941 471 L HN 0.386 nan 8.230 nan 0.000 0.451 472 K N 0.691 121.092 120.400 0.002 0.000 3.071 472 K HA -0.226 4.039 4.320 -0.090 0.000 0.265 472 K C 0.019 176.615 176.600 -0.007 0.000 1.060 472 K CA 0.576 56.863 56.287 -0.000 0.000 0.767 472 K CB -1.351 31.149 32.500 -0.000 0.000 1.241 472 K HN 0.355 nan 8.250 nan 0.000 0.486 473 N N 0.284 118.979 118.700 -0.009 0.000 2.616 473 N HA 0.130 4.816 4.740 -0.090 0.000 0.281 473 N C 0.215 175.719 175.510 -0.011 0.000 1.145 473 N CA -0.566 52.477 53.050 -0.012 0.000 0.919 473 N CB 1.158 39.634 38.487 -0.019 0.000 1.509 473 N HN -0.049 nan 8.380 nan 0.000 0.537 474 K N 1.074 121.470 120.400 -0.007 0.000 2.026 474 K HA -0.052 4.214 4.320 -0.090 0.000 0.208 474 K C 1.463 178.058 176.600 -0.007 0.000 1.048 474 K CA 1.480 57.764 56.287 -0.006 0.000 0.929 474 K CB 0.172 32.670 32.500 -0.003 0.000 0.713 474 K HN 0.300 nan 8.250 nan 0.000 0.439 475 V N 1.721 121.631 119.914 -0.006 0.000 2.307 475 V HA -0.233 3.833 4.120 -0.090 0.000 0.245 475 V C 2.257 178.346 176.094 -0.007 0.000 1.045 475 V CA 1.365 63.662 62.300 -0.005 0.000 1.024 475 V CB -0.451 31.371 31.823 -0.002 0.000 0.651 475 V HN 0.245 nan 8.190 nan 0.000 0.449 476 L N 1.147 122.363 121.223 -0.012 0.000 2.017 476 L HA -0.093 4.193 4.340 -0.090 0.000 0.208 476 L C 2.505 179.361 176.870 -0.023 0.000 1.073 476 L CA 2.392 57.221 54.840 -0.018 0.000 0.745 476 L CB -1.155 40.885 42.059 -0.031 0.000 0.894 476 L HN 0.226 nan 8.230 nan 0.000 0.432 477 A N -0.531 122.273 122.820 -0.026 0.000 1.917 477 A HA -0.325 3.941 4.320 -0.090 0.000 0.219 477 A C 2.493 180.067 177.584 -0.017 0.000 1.182 477 A CA 2.323 54.343 52.037 -0.028 0.000 0.633 477 A CB -0.693 18.295 19.000 -0.020 0.000 0.819 477 A HN 0.560 nan 8.150 nan 0.000 0.448 478 K N -0.208 120.186 120.400 -0.010 0.000 2.103 478 K HA -0.097 4.169 4.320 -0.090 0.000 0.204 478 K C 1.920 178.518 176.600 -0.003 0.000 1.052 478 K CA 1.385 57.668 56.287 -0.007 0.000 0.945 478 K CB -0.138 32.359 32.500 -0.006 0.000 0.722 478 K HN 0.483 nan 8.250 nan 0.000 0.443 479 K N 0.406 120.807 120.400 0.002 0.000 2.097 479 K HA -0.116 4.150 4.320 -0.090 0.000 0.205 479 K C 2.037 178.653 176.600 0.027 0.000 1.050 479 K CA 0.711 57.003 56.287 0.009 0.000 0.938 479 K CB -0.112 32.395 32.500 0.012 0.000 0.718 479 K HN 0.051 nan 8.250 nan 0.000 0.442 480 L N 1.482 122.728 121.223 0.038 0.000 2.017 480 L HA -0.131 4.155 4.340 -0.090 0.000 0.208 480 L C 2.007 178.956 176.870 0.132 0.000 1.073 480 L CA 1.610 56.509 54.840 0.099 0.000 0.745 480 L CB -0.548 41.519 42.059 0.013 0.000 0.894 480 L HN 0.174 nan 8.230 nan 0.000 0.432 481 L N -1.167 120.080 121.223 0.041 0.000 2.217 481 L HA -0.150 4.136 4.340 -0.090 0.000 0.211 481 L C 1.960 178.814 176.870 -0.027 0.000 1.107 481 L CA 0.643 55.488 54.840 0.009 0.000 0.783 481 L CB -0.621 41.422 42.059 -0.026 0.000 0.919 481 L HN 0.251 nan 8.230 nan 0.000 0.442 482 D N 0.291 120.678 120.400 -0.021 0.000 2.178 482 D HA -0.140 4.446 4.640 -0.090 0.000 0.201 482 D C 2.309 178.572 176.300 -0.061 0.000 0.980 482 D CA 1.148 55.124 54.000 -0.040 0.000 0.842 482 D CB 0.084 40.868 40.800 -0.026 0.000 0.948 482 D HN 0.283 nan 8.370 nan 0.000 0.472 483 L N -1.281 119.908 121.223 -0.057 0.000 2.168 483 L HA -0.046 4.240 4.340 -0.090 0.000 0.203 483 L C 1.766 178.493 176.870 -0.239 0.000 1.078 483 L CA 0.660 55.403 54.840 -0.162 0.000 0.780 483 L CB -0.052 41.871 42.059 -0.226 0.000 0.939 483 L HN 0.022 nan 8.230 nan 0.000 0.451 484 Y N -0.799 119.445 120.300 -0.094 0.000 2.509 484 Y HA 0.064 4.560 4.550 -0.090 0.000 0.270 484 Y C 0.842 176.602 175.900 -0.233 0.000 1.103 484 Y CA -0.390 57.644 58.100 -0.110 0.000 1.278 484 Y CB 0.504 38.918 38.460 -0.078 0.000 1.087 484 Y HN -0.065 nan 8.280 nan 0.000 0.542 485 K N 0.446 120.748 120.400 -0.163 0.000 3.341 485 K HA -0.213 4.053 4.320 -0.090 0.000 0.305 485 K C -0.125 176.138 176.600 -0.561 0.000 1.270 485 K CA 1.250 57.224 56.287 -0.522 0.000 0.897 485 K CB -2.202 29.674 32.500 -1.040 0.000 1.264 485 K HN 0.418 nan 8.250 nan 0.000 0.468 486 T N -2.350 112.087 114.554 -0.196 0.000 3.248 486 T HA 0.230 4.526 4.350 -0.090 0.000 0.400 486 T C -2.685 172.010 174.700 -0.008 0.000 1.758 486 T CA -0.504 61.554 62.100 -0.069 0.000 1.080 486 T CB 1.151 70.032 68.868 0.022 0.000 1.694 486 T HN -0.275 nan 8.240 nan 0.000 0.483 487 P HA 0.014 nan 4.420 nan 0.000 0.220 487 P C 0.891 178.231 177.300 0.067 0.000 1.148 487 P CA 0.916 64.037 63.100 0.035 0.000 0.803 487 P CB 0.130 31.890 31.700 0.099 0.000 0.782 488 D N -1.332 119.101 120.400 0.056 0.000 2.263 488 D HA -0.103 4.483 4.640 -0.090 0.000 0.208 488 D C 1.273 177.582 176.300 0.014 0.000 0.971 488 D CA 0.993 55.019 54.000 0.043 0.000 0.867 488 D CB -0.566 40.258 40.800 0.040 0.000 0.929 488 D HN 0.142 nan 8.370 nan 0.000 0.492 489 N N -0.181 118.526 118.700 0.012 0.000 2.299 489 N HA 0.108 4.794 4.740 -0.090 0.000 0.187 489 N C 0.270 175.726 175.510 -0.090 0.000 1.099 489 N CA -0.099 52.968 53.050 0.027 0.000 0.867 489 N CB 0.524 39.107 38.487 0.159 0.000 0.974 489 N HN 0.225 nan 8.380 nan 0.000 0.477 490 I N 2.144 122.474 120.570 -0.400 0.000 2.662 490 I HA -0.089 4.027 4.170 -0.090 0.000 0.285 490 I C 0.135 176.056 176.117 -0.326 0.000 1.161 490 I CA 0.250 61.010 61.300 -0.900 0.000 1.415 490 I CB 0.217 37.799 38.000 -0.698 0.000 1.385 490 I HN -0.089 nan 8.210 nan 0.000 0.552 491 D N 6.335 126.603 120.400 -0.221 0.000 2.458 491 D HA -0.061 4.525 4.640 -0.090 0.000 0.243 491 D C 1.197 177.536 176.300 0.065 0.000 1.146 491 D CA -0.047 53.974 54.000 0.035 0.000 0.877 491 D CB 1.459 42.350 40.800 0.152 0.000 1.176 491 D HN 0.447 nan 8.370 nan 0.000 0.461 492 I N 3.010 123.653 120.570 0.121 0.000 2.185 492 I HA -0.264 3.852 4.170 -0.090 0.000 0.246 492 I C 1.894 178.099 176.117 0.147 0.000 1.088 492 I CA 1.483 62.878 61.300 0.158 0.000 1.347 492 I CB -0.331 37.724 38.000 0.092 0.000 1.041 492 I HN 0.656 nan 8.210 nan 0.000 0.415 493 W N 0.411 121.704 121.300 -0.013 0.000 2.335 493 W HA -0.256 4.349 4.660 -0.091 0.000 0.311 493 W C 2.359 178.904 176.519 0.042 0.000 1.213 493 W CA 2.041 59.410 57.345 0.041 0.000 1.274 493 W CB -0.484 29.019 29.460 0.071 0.000 1.148 493 W HN 0.258 nan 8.180 nan 0.000 0.498 494 I N 0.859 121.430 120.570 0.002 0.000 2.406 494 I HA 0.070 4.186 4.170 -0.090 0.000 0.249 494 I C 2.424 178.375 176.117 -0.277 0.000 1.122 494 I CA 2.044 63.198 61.300 -0.243 0.000 1.431 494 I CB -1.237 36.797 38.000 0.057 0.000 1.087 494 I HN 0.067 nan 8.210 nan 0.000 0.424 495 G N -0.120 108.538 108.800 -0.235 0.000 2.404 495 G HA2 -0.169 3.737 3.960 -0.090 0.000 0.215 495 G HA3 -0.169 3.737 3.960 -0.090 0.000 0.215 495 G C 1.715 176.505 174.900 -0.182 0.000 1.174 495 G CA 0.611 45.457 45.100 -0.423 0.000 0.780 495 G HN 0.523 nan 8.290 nan 0.000 0.537 496 G N 0.908 109.708 108.800 -0.000 0.000 2.446 496 G HA2 -0.249 3.656 3.960 -0.090 0.000 0.217 496 G HA3 -0.249 3.656 3.960 -0.090 0.000 0.217 496 G C 1.647 176.503 174.900 -0.073 0.000 1.168 496 G CA 1.116 46.238 45.100 0.036 0.000 0.771 496 G HN 0.528 nan 8.290 nan 0.000 0.551 497 N N 0.637 119.211 118.700 -0.210 0.000 2.512 497 N HA 0.195 4.881 4.740 -0.090 0.000 0.183 497 N C 2.079 177.478 175.510 -0.185 0.000 1.073 497 N CA 0.582 53.494 53.050 -0.230 0.000 0.911 497 N CB 0.029 38.251 38.487 -0.442 0.000 0.964 497 N HN 0.355 nan 8.380 nan 0.000 0.447 498 A N 0.521 123.229 122.820 -0.187 0.000 2.123 498 A HA 0.016 4.282 4.320 -0.090 0.000 0.214 498 A C 0.649 178.178 177.584 -0.091 0.000 1.152 498 A CA 0.330 52.276 52.037 -0.151 0.000 0.728 498 A CB 0.054 18.939 19.000 -0.193 0.000 0.814 498 A HN 0.245 nan 8.150 nan 0.000 0.464 499 E N 1.020 121.186 120.200 -0.056 0.000 2.398 499 E HA 0.244 4.540 4.350 -0.090 0.000 0.263 499 E C -2.397 174.191 176.600 -0.019 0.000 1.046 499 E CA -1.868 54.527 56.400 -0.009 0.000 0.908 499 E CB 0.216 29.941 29.700 0.041 0.000 0.963 499 E HN 0.221 nan 8.360 nan 0.000 0.431 500 P HA -0.011 nan 4.420 nan 0.000 0.272 500 P C -0.624 176.668 177.300 -0.013 0.000 1.223 500 P CA 0.202 63.294 63.100 -0.013 0.000 0.784 500 P CB 0.491 32.187 31.700 -0.007 0.000 0.923 501 M N 1.607 121.195 119.600 -0.020 0.000 2.219 501 M HA 0.117 4.543 4.480 -0.090 0.000 0.353 501 M C 0.469 176.758 176.300 -0.020 0.000 1.304 501 M CA -0.555 54.729 55.300 -0.026 0.000 1.115 501 M CB 0.404 32.986 32.600 -0.029 0.000 1.664 501 M HN 0.162 nan 8.290 nan 0.000 0.459 502 V N 0.917 120.821 119.914 -0.018 0.000 2.999 502 V HA 0.082 4.148 4.120 -0.090 0.000 0.307 502 V C 0.367 176.449 176.094 -0.020 0.000 1.084 502 V CA -0.639 61.656 62.300 -0.008 0.000 1.155 502 V CB 0.299 32.126 31.823 0.006 0.000 0.975 502 V HN 0.911 nan 8.190 nan 0.000 0.490 503 E N 3.207 123.397 120.200 -0.016 0.000 2.765 503 E HA -0.039 4.257 4.350 -0.090 0.000 0.256 503 E C 0.642 177.223 176.600 -0.033 0.000 0.935 503 E CA 0.577 56.963 56.400 -0.023 0.000 0.954 503 E CB 0.053 29.743 29.700 -0.018 0.000 0.908 503 E HN 0.736 nan 8.360 nan 0.000 0.500 504 R N 0.750 121.224 120.500 -0.044 0.000 3.863 504 R HA -0.207 4.079 4.340 -0.090 0.000 0.313 504 R C 0.102 176.358 176.300 -0.073 0.000 1.202 504 R CA 0.824 56.888 56.100 -0.059 0.000 0.852 504 R CB -2.013 28.256 30.300 -0.052 0.000 1.292 504 R HN 0.652 nan 8.270 nan 0.000 0.519 505 G N -1.258 107.502 108.800 -0.068 0.000 3.140 505 G HA2 0.631 4.537 3.960 -0.090 0.000 0.271 505 G HA3 0.631 4.537 3.960 -0.090 0.000 0.271 505 G C 0.302 175.158 174.900 -0.074 0.000 1.370 505 G CA -0.574 44.479 45.100 -0.079 0.000 1.014 505 G HN 0.029 nan 8.290 nan 0.000 0.541 506 R N -1.008 119.447 120.500 -0.075 0.000 2.541 506 R HA 0.243 4.529 4.340 -0.090 0.000 0.332 506 R C 0.064 176.296 176.300 -0.113 0.000 0.951 506 R CA 0.092 56.176 56.100 -0.027 0.000 1.136 506 R CB 0.487 30.873 30.300 0.144 0.000 1.449 506 R HN 0.566 nan 8.270 nan 0.000 0.531 507 V N -3.162 116.635 119.914 -0.194 0.000 3.040 507 V HA 0.921 4.987 4.120 -0.090 0.000 0.312 507 V C 0.446 176.470 176.094 -0.116 0.000 1.115 507 V CA -0.999 61.165 62.300 -0.227 0.000 0.998 507 V CB 1.773 33.339 31.823 -0.428 0.000 1.042 507 V HN 0.051 nan 8.190 nan 0.000 0.433 508 G N 0.959 109.712 108.800 -0.078 0.000 2.588 508 G HA2 0.520 4.426 3.960 -0.090 0.000 0.278 508 G HA3 0.520 4.426 3.960 -0.090 0.000 0.278 508 G C -1.739 173.159 174.900 -0.004 0.000 1.307 508 G CA -0.780 44.305 45.100 -0.025 0.000 1.016 508 G HN 0.653 nan 8.290 nan 0.000 0.503 509 P HA -0.076 nan 4.420 nan 0.000 0.216 509 P C 2.066 179.405 177.300 0.066 0.000 1.153 509 P CA 0.301 63.447 63.100 0.077 0.000 0.848 509 P CB 0.117 31.871 31.700 0.090 0.000 0.787 510 L N -0.865 120.393 121.223 0.058 0.000 2.027 510 L HA -0.094 4.191 4.340 -0.090 0.000 0.206 510 L C 2.251 179.115 176.870 -0.010 0.000 1.074 510 L CA 1.784 56.656 54.840 0.053 0.000 0.745 510 L CB -1.420 40.697 42.059 0.096 0.000 0.898 510 L HN -0.146 nan 8.230 nan 0.000 0.433 511 L N -0.740 120.463 121.223 -0.034 0.000 2.093 511 L HA -0.136 4.150 4.340 -0.090 0.000 0.208 511 L C 2.651 179.437 176.870 -0.140 0.000 1.085 511 L CA 1.006 55.794 54.840 -0.087 0.000 0.755 511 L CB -0.918 41.075 42.059 -0.109 0.000 0.904 511 L HN 0.370 nan 8.230 nan 0.000 0.435 512 A N -0.626 122.115 122.820 -0.131 0.000 1.940 512 A HA -0.302 3.964 4.320 -0.090 0.000 0.219 512 A C 2.520 179.852 177.584 -0.420 0.000 1.176 512 A CA 1.958 53.905 52.037 -0.149 0.000 0.631 512 A CB -1.197 17.806 19.000 0.004 0.000 0.814 512 A HN 0.626 nan 8.150 nan 0.000 0.446 513 c N -0.419 117.881 118.600 -0.500 0.000 2.489 513 c HA 0.019 4.535 4.570 -0.090 0.000 0.279 513 c C 2.598 176.325 174.090 -0.605 0.000 1.266 513 c CA 1.083 56.752 56.329 -1.099 0.000 1.707 513 c CB -1.565 40.596 42.510 -0.581 0.000 2.059 513 c HN 0.572 nan 8.230 nan 0.000 0.481 514 L N 0.811 121.929 121.223 -0.175 0.000 1.970 514 L HA -0.168 4.118 4.340 -0.090 0.000 0.212 514 L C 2.804 179.755 176.870 0.135 0.000 1.071 514 L CA 1.804 56.685 54.840 0.070 0.000 0.751 514 L CB -0.948 41.094 42.059 -0.029 0.000 0.889 514 L HN 0.404 nan 8.230 nan 0.000 0.432 515 L N -0.241 121.004 121.223 0.036 0.000 1.970 515 L HA -0.188 4.098 4.340 -0.090 0.000 0.212 515 L C 2.767 179.791 176.870 0.258 0.000 1.071 515 L CA 1.676 56.624 54.840 0.181 0.000 0.751 515 L CB -1.431 40.661 42.059 0.054 0.000 0.889 515 L HN 0.370 nan 8.230 nan 0.000 0.432 516 G N 0.723 109.534 108.800 0.017 0.000 2.514 516 G HA2 -0.295 3.610 3.960 -0.090 0.000 0.217 516 G HA3 -0.295 3.610 3.960 -0.090 0.000 0.217 516 G C 1.612 176.615 174.900 0.172 0.000 1.198 516 G CA 1.117 46.263 45.100 0.076 0.000 0.780 516 G HN 0.456 nan 8.290 nan 0.000 0.565 517 R N -0.035 120.477 120.500 0.020 0.000 2.120 517 R HA -0.046 4.240 4.340 -0.090 0.000 0.234 517 R C 2.334 178.756 176.300 0.204 0.000 1.123 517 R CA 1.622 57.795 56.100 0.122 0.000 0.975 517 R CB -0.605 29.677 30.300 -0.030 0.000 0.866 517 R HN 0.425 nan 8.270 nan 0.000 0.446 518 Q N 0.844 120.823 119.800 0.298 0.000 2.084 518 Q HA -0.096 4.190 4.340 -0.090 0.000 0.202 518 Q C 1.668 177.634 176.000 -0.056 0.000 0.978 518 Q CA 1.710 57.589 55.803 0.127 0.000 0.844 518 Q CB -0.260 28.337 28.738 -0.235 0.000 0.898 518 Q HN 0.357 nan 8.270 nan 0.000 0.426 519 F N 0.592 120.610 119.950 0.114 0.000 2.186 519 F HA -0.122 4.351 4.527 -0.091 0.000 0.299 519 F C 2.474 178.450 175.800 0.294 0.000 1.090 519 F CA 1.480 59.596 58.000 0.194 0.000 1.307 519 F CB -0.462 38.586 39.000 0.081 0.000 1.019 519 F HN 0.255 nan 8.300 nan 0.000 0.489 520 Q N 0.700 120.736 119.800 0.393 0.000 2.096 520 Q HA -0.252 4.034 4.340 -0.090 0.000 0.204 520 Q C 1.987 178.087 176.000 0.167 0.000 0.982 520 Q CA 1.884 57.852 55.803 0.274 0.000 0.850 520 Q CB -0.291 28.588 28.738 0.235 0.000 0.901 520 Q HN 0.513 nan 8.270 nan 0.000 0.422 521 Q N 0.336 120.225 119.800 0.148 0.000 2.079 521 Q HA -0.108 4.178 4.340 -0.090 0.000 0.200 521 Q C 2.268 178.341 176.000 0.122 0.000 0.974 521 Q CA 1.580 57.450 55.803 0.112 0.000 0.840 521 Q CB -0.236 28.569 28.738 0.112 0.000 0.898 521 Q HN 0.627 nan 8.270 nan 0.000 0.430 522 I N -1.467 119.177 120.570 0.124 0.000 2.676 522 I HA -0.130 3.986 4.170 -0.090 0.000 0.259 522 I C 2.356 178.595 176.117 0.204 0.000 1.194 522 I CA 1.098 62.504 61.300 0.175 0.000 1.473 522 I CB -0.396 37.691 38.000 0.145 0.000 1.096 522 I HN 0.103 nan 8.210 nan 0.000 0.443 523 R N 1.794 122.294 120.500 -0.000 0.000 2.062 523 R HA -0.119 4.167 4.340 -0.090 0.000 0.226 523 R C 1.450 177.572 176.300 -0.296 0.000 1.125 523 R CA 1.887 57.647 56.100 -0.567 0.000 0.966 523 R CB -0.359 29.196 30.300 -1.242 0.000 0.861 523 R HN 0.323 nan 8.270 nan 0.000 0.433 524 D N -0.378 119.989 120.400 -0.055 0.000 2.312 524 D HA -0.017 4.569 4.640 -0.090 0.000 0.211 524 D C 1.316 177.739 176.300 0.205 0.000 0.964 524 D CA 1.211 55.268 54.000 0.095 0.000 0.877 524 D CB -0.091 40.735 40.800 0.043 0.000 0.924 524 D HN 0.508 nan 8.370 nan 0.000 0.515 525 G N -0.430 108.524 108.800 0.256 0.000 3.233 525 G HA2 -0.037 3.869 3.960 -0.090 0.000 0.234 525 G HA3 -0.037 3.869 3.960 -0.090 0.000 0.234 525 G C -0.010 175.250 174.900 0.601 0.000 1.137 525 G CA -0.258 45.063 45.100 0.369 0.000 0.763 525 G HN -0.026 nan 8.290 nan 0.000 0.549 526 D N 0.370 121.080 120.400 0.518 0.000 2.359 526 D HA 0.209 4.795 4.640 -0.090 0.000 0.230 526 D C 1.449 177.749 176.300 0.001 0.000 1.118 526 D CA -0.647 53.574 54.000 0.368 0.000 0.844 526 D CB 1.188 42.274 40.800 0.477 0.000 1.059 526 D HN 0.084 nan 8.370 nan 0.000 0.493 527 R N 2.775 122.975 120.500 -0.499 0.000 2.152 527 R HA -0.079 4.207 4.340 -0.090 0.000 0.232 527 R C 0.767 176.609 176.300 -0.763 0.000 1.117 527 R CA 1.204 56.618 56.100 -1.143 0.000 0.981 527 R CB -0.006 29.618 30.300 -1.126 0.000 0.870 527 R HN 0.372 nan 8.270 nan 0.000 0.451 528 F N -0.537 119.282 119.950 -0.217 0.000 2.639 528 F HA 0.141 4.611 4.527 -0.095 0.000 0.300 528 F C 0.406 176.234 175.800 0.047 0.000 1.109 528 F CA -0.763 57.169 58.000 -0.113 0.000 1.335 528 F CB 0.036 38.945 39.000 -0.151 0.000 1.014 528 F HN 0.101 nan 8.300 nan 0.000 0.537 529 W N 3.162 124.484 121.300 0.037 0.000 2.343 529 W HA -0.156 4.467 4.660 -0.061 0.000 0.337 529 W C 1.301 177.855 176.519 0.059 0.000 1.320 529 W CA -0.457 56.907 57.345 0.032 0.000 1.290 529 W CB 0.407 29.790 29.460 -0.128 0.000 1.206 529 W HN 0.520 nan 8.180 nan 0.000 0.565 530 W N 4.749 125.672 121.300 -0.628 0.000 2.364 530 W HA -0.193 4.455 4.660 -0.019 0.000 0.281 530 W C 0.763 177.261 176.519 -0.035 0.000 1.219 530 W CA 1.488 58.746 57.345 -0.146 0.000 1.220 530 W CB -0.729 28.586 29.460 -0.241 0.000 1.127 530 W HN 0.461 nan 8.180 nan 0.000 0.556 531 E N 0.689 120.123 120.200 -1.277 0.000 2.478 531 E HA -0.091 4.205 4.350 -0.090 0.000 0.194 531 E C 0.225 176.824 176.600 -0.003 0.000 1.045 531 E CA -0.123 55.779 56.400 -0.830 0.000 0.868 531 E CB -0.276 28.911 29.700 -0.854 0.000 0.885 531 E HN 0.049 nan 8.360 nan 0.000 0.505 532 N N 2.306 121.104 118.700 0.163 0.000 2.475 532 N HA 0.035 4.721 4.740 -0.090 0.000 0.267 532 N C -2.635 172.933 175.510 0.098 0.000 1.169 532 N CA -1.738 51.472 53.050 0.266 0.000 0.947 532 N CB 0.628 39.255 38.487 0.234 0.000 1.061 532 N HN -0.244 nan 8.380 nan 0.000 0.466 533 P HA 0.130 nan 4.420 nan 0.000 0.265 533 P C 0.641 177.937 177.300 -0.007 0.000 1.193 533 P CA 0.506 63.626 63.100 0.032 0.000 0.765 533 P CB 0.629 32.342 31.700 0.021 0.000 0.823 534 G N 0.953 109.744 108.800 -0.014 0.000 2.232 534 G HA2 -0.277 3.628 3.960 -0.090 0.000 0.226 534 G HA3 -0.277 3.628 3.960 -0.090 0.000 0.226 534 G C 0.900 175.742 174.900 -0.098 0.000 0.996 534 G CA 0.205 45.271 45.100 -0.057 0.000 0.626 534 G HN 0.389 nan 8.290 nan 0.000 0.509 535 V N -0.051 119.805 119.914 -0.096 0.000 2.302 535 V HA 0.369 4.435 4.120 -0.090 0.000 0.243 535 V C 1.349 177.220 176.094 -0.372 0.000 1.036 535 V CA 1.804 63.977 62.300 -0.211 0.000 1.020 535 V CB -0.379 31.359 31.823 -0.141 0.000 0.657 535 V HN 0.279 nan 8.190 nan 0.000 0.453 536 F N -0.426 119.557 119.950 0.055 0.000 2.594 536 F HA 0.527 5.043 4.527 -0.018 0.000 0.335 536 F C 0.723 176.505 175.800 -0.030 0.000 1.058 536 F CA -0.699 57.320 58.000 0.031 0.000 0.981 536 F CB 1.492 40.561 39.000 0.116 0.000 1.289 536 F HN -0.062 nan 8.300 nan 0.000 0.490 537 T N -2.767 111.852 114.554 0.108 0.000 2.902 537 T HA 0.201 4.497 4.350 -0.090 0.000 0.280 537 T C 0.916 175.641 174.700 0.041 0.000 0.992 537 T CA -0.458 61.655 62.100 0.022 0.000 1.015 537 T CB 1.481 70.317 68.868 -0.054 0.000 1.044 537 T HN 0.832 nan 8.240 nan 0.000 0.520 538 E N 0.765 120.983 120.200 0.030 0.000 2.097 538 E HA -0.236 4.060 4.350 -0.090 0.000 0.196 538 E C 1.933 178.547 176.600 0.024 0.000 1.000 538 E CA 1.351 57.775 56.400 0.040 0.000 0.804 538 E CB -0.113 29.605 29.700 0.030 0.000 0.740 538 E HN 0.662 nan 8.360 nan 0.000 0.454 539 K N -0.146 120.245 120.400 -0.016 0.000 2.148 539 K HA -0.151 4.115 4.320 -0.090 0.000 0.204 539 K C 2.361 178.919 176.600 -0.071 0.000 1.050 539 K CA 1.444 57.713 56.287 -0.030 0.000 0.942 539 K CB -0.019 32.455 32.500 -0.044 0.000 0.724 539 K HN 0.302 nan 8.250 nan 0.000 0.446 540 Q N -0.044 119.651 119.800 -0.176 0.000 2.119 540 Q HA -0.096 4.190 4.340 -0.090 0.000 0.201 540 Q C 1.989 177.951 176.000 -0.065 0.000 0.972 540 Q CA 1.173 56.760 55.803 -0.360 0.000 0.847 540 Q CB 0.082 28.446 28.738 -0.624 0.000 0.903 540 Q HN 0.208 nan 8.270 nan 0.000 0.433 541 R N 0.409 120.939 120.500 0.050 0.000 2.148 541 R HA -0.089 4.197 4.340 -0.090 0.000 0.223 541 R C 1.436 177.836 176.300 0.168 0.000 1.088 541 R CA 0.971 57.184 56.100 0.188 0.000 0.985 541 R CB 0.023 30.506 30.300 0.304 0.000 0.880 541 R HN 0.281 nan 8.270 nan 0.000 0.451 542 D N 0.094 120.559 120.400 0.108 0.000 2.178 542 D HA -0.070 4.516 4.640 -0.090 0.000 0.202 542 D C 1.668 178.016 176.300 0.079 0.000 0.974 542 D CA 1.172 55.228 54.000 0.093 0.000 0.841 542 D CB 0.082 40.922 40.800 0.068 0.000 0.953 542 D HN 0.045 nan 8.370 nan 0.000 0.478 543 S N 0.220 115.976 115.700 0.094 0.000 2.387 543 S HA 0.023 4.438 4.470 -0.090 0.000 0.226 543 S C 2.154 176.787 174.600 0.055 0.000 1.026 543 S CA 0.243 58.510 58.200 0.112 0.000 0.972 543 S CB 0.079 63.427 63.200 0.246 0.000 0.814 543 S HN 0.231 nan 8.310 nan 0.000 0.477 544 L N 1.163 122.395 121.223 0.015 0.000 2.217 544 L HA -0.058 4.228 4.340 -0.090 0.000 0.211 544 L C 2.497 179.239 176.870 -0.214 0.000 1.107 544 L CA 0.874 55.625 54.840 -0.148 0.000 0.783 544 L CB -0.400 41.459 42.059 -0.332 0.000 0.919 544 L HN 0.315 nan 8.230 nan 0.000 0.442 545 Q N -0.048 119.688 119.800 -0.106 0.000 2.291 545 Q HA -0.212 4.074 4.340 -0.090 0.000 0.206 545 Q C 1.589 177.566 176.000 -0.039 0.000 0.976 545 Q CA 1.241 57.011 55.803 -0.055 0.000 0.875 545 Q CB 0.123 28.903 28.738 0.071 0.000 0.927 545 Q HN 0.229 nan 8.270 nan 0.000 0.450 546 K N -0.194 120.190 120.400 -0.027 0.000 2.404 546 K HA 0.031 4.297 4.320 -0.090 0.000 0.194 546 K C 0.130 176.717 176.600 -0.021 0.000 1.023 546 K CA -0.102 56.177 56.287 -0.014 0.000 1.094 546 K CB 0.486 32.987 32.500 0.001 0.000 0.841 546 K HN 0.101 nan 8.250 nan 0.000 0.523 547 V N -1.036 118.858 119.914 -0.033 0.000 3.237 547 V HA 0.435 4.501 4.120 -0.090 0.000 0.305 547 V C 0.050 176.150 176.094 0.011 0.000 1.096 547 V CA -0.589 61.729 62.300 0.030 0.000 1.130 547 V CB 1.356 33.259 31.823 0.133 0.000 1.048 547 V HN 0.214 nan 8.190 nan 0.000 0.484 548 S N 1.348 117.098 115.700 0.084 0.000 2.567 548 S HA 0.495 4.911 4.470 -0.090 0.000 0.270 548 S C -0.270 174.423 174.600 0.155 0.000 1.152 548 S CA -0.291 57.935 58.200 0.044 0.000 0.835 548 S CB 1.140 64.332 63.200 -0.013 0.000 1.115 548 S HN 0.860 nan 8.310 nan 0.000 0.459 549 F N 2.002 121.906 119.950 -0.077 0.000 2.259 549 F HA 0.002 4.478 4.527 -0.084 0.000 0.298 549 F C 2.438 178.207 175.800 -0.052 0.000 1.088 549 F CA 1.973 59.945 58.000 -0.048 0.000 1.358 549 F CB -0.294 38.525 39.000 -0.302 0.000 1.040 549 F HN 0.658 nan 8.300 nan 0.000 0.505 550 S N 0.161 115.900 115.700 0.064 0.000 2.383 550 S HA -0.266 4.150 4.470 -0.090 0.000 0.229 550 S C 1.935 176.499 174.600 -0.060 0.000 1.030 550 S CA 1.520 59.716 58.200 -0.006 0.000 1.002 550 S CB -0.413 62.758 63.200 -0.048 0.000 0.829 550 S HN 0.330 nan 8.310 nan 0.000 0.467 551 R N 1.326 121.789 120.500 -0.062 0.000 2.073 551 R HA 0.077 4.363 4.340 -0.090 0.000 0.229 551 R C 2.158 178.364 176.300 -0.157 0.000 1.120 551 R CA 0.922 56.971 56.100 -0.085 0.000 0.967 551 R CB -0.915 29.350 30.300 -0.059 0.000 0.862 551 R HN 0.355 nan 8.270 nan 0.000 0.436 552 L N 0.533 121.621 121.223 -0.226 0.000 2.051 552 L HA -0.189 4.097 4.340 -0.090 0.000 0.214 552 L C 1.939 178.604 176.870 -0.342 0.000 1.076 552 L CA 1.868 56.476 54.840 -0.385 0.000 0.758 552 L CB -0.304 41.406 42.059 -0.582 0.000 0.890 552 L HN 0.340 nan 8.230 nan 0.000 0.433 553 I N -1.814 118.575 120.570 -0.302 0.000 2.202 553 I HA -0.342 3.773 4.170 -0.090 0.000 0.242 553 I C 2.477 178.513 176.117 -0.134 0.000 1.091 553 I CA 1.312 62.497 61.300 -0.193 0.000 1.368 553 I CB -0.651 37.295 38.000 -0.089 0.000 1.058 553 I HN 0.362 nan 8.210 nan 0.000 0.410 554 c N 0.774 119.312 118.600 -0.102 0.000 2.425 554 c HA -0.155 4.361 4.570 -0.090 0.000 0.277 554 c C 2.262 176.296 174.090 -0.093 0.000 1.280 554 c CA 0.765 57.052 56.329 -0.069 0.000 1.744 554 c CB -1.045 41.437 42.510 -0.046 0.000 1.989 554 c HN 0.520 nan 8.230 nan 0.000 0.491 555 D N 0.261 120.583 120.400 -0.130 0.000 2.323 555 D HA -0.010 4.575 4.640 -0.090 0.000 0.209 555 D C 1.259 177.462 176.300 -0.162 0.000 0.973 555 D CA 0.868 54.785 54.000 -0.137 0.000 0.874 555 D CB -0.392 40.313 40.800 -0.159 0.000 0.930 555 D HN 0.576 nan 8.370 nan 0.000 0.521 556 N N -0.153 118.433 118.700 -0.190 0.000 2.194 556 N HA 0.034 4.720 4.740 -0.090 0.000 0.231 556 N C 0.296 175.662 175.510 -0.240 0.000 1.247 556 N CA 0.176 53.100 53.050 -0.209 0.000 0.884 556 N CB 1.828 40.188 38.487 -0.212 0.000 1.146 556 N HN 0.195 nan 8.380 nan 0.000 0.516 557 T N -3.016 111.387 114.554 -0.251 0.000 2.626 557 T HA 0.372 4.668 4.350 -0.090 0.000 0.279 557 T C -0.083 174.391 174.700 -0.377 0.000 0.983 557 T CA -0.386 61.536 62.100 -0.297 0.000 1.059 557 T CB 1.631 70.398 68.868 -0.169 0.000 1.396 557 T HN 0.050 nan 8.240 nan 0.000 0.519 558 H N -0.628 118.374 119.070 -0.112 0.000 2.512 558 H HA 0.426 4.929 4.556 -0.088 0.000 0.276 558 H C -0.175 175.099 175.328 -0.090 0.000 1.126 558 H CA -0.700 55.283 56.048 -0.108 0.000 1.060 558 H CB 0.282 29.949 29.762 -0.158 0.000 1.646 558 H HN 0.294 nan 8.280 nan 0.000 0.571 559 I N 2.272 122.846 120.570 0.007 0.000 2.533 559 I HA -0.022 4.094 4.170 -0.090 0.000 0.284 559 I C 1.503 177.661 176.117 0.068 0.000 1.109 559 I CA 0.468 61.780 61.300 0.021 0.000 1.412 559 I CB 0.682 38.700 38.000 0.030 0.000 1.396 559 I HN 0.290 nan 8.210 nan 0.000 0.543 560 T N 1.930 116.542 114.554 0.097 0.000 3.044 560 T HA 0.228 4.524 4.350 -0.090 0.000 0.260 560 T C 0.572 175.369 174.700 0.161 0.000 1.019 560 T CA -0.225 61.939 62.100 0.106 0.000 0.921 560 T CB 0.343 69.260 68.868 0.082 0.000 1.053 560 T HN 0.319 nan 8.240 nan 0.000 0.533 561 K N 2.464 123.018 120.400 0.257 0.000 2.450 561 K HA 0.635 4.901 4.320 -0.090 0.000 0.257 561 K C -0.655 176.237 176.600 0.486 0.000 0.953 561 K CA -0.529 55.977 56.287 0.366 0.000 0.844 561 K CB 2.250 35.037 32.500 0.480 0.000 1.103 561 K HN 0.320 nan 8.250 nan 0.000 0.429 562 V N -0.010 120.094 119.914 0.317 0.000 3.130 562 V HA 0.745 4.811 4.120 -0.090 0.000 0.310 562 V C -2.785 173.211 176.094 -0.163 0.000 1.158 562 V CA -2.559 59.843 62.300 0.171 0.000 1.029 562 V CB 2.409 34.285 31.823 0.089 0.000 1.057 562 V HN 0.432 nan 8.190 nan 0.000 0.436 563 P HA 0.371 nan 4.420 nan 0.000 0.279 563 P C 0.163 177.309 177.300 -0.257 0.000 1.252 563 P CA -0.379 62.414 63.100 -0.511 0.000 0.811 563 P CB 1.493 32.795 31.700 -0.664 0.000 1.035 564 L N 0.609 121.707 121.223 -0.208 0.000 2.240 564 L HA 0.023 4.309 4.340 -0.090 0.000 0.211 564 L C 1.076 177.662 176.870 -0.473 0.000 1.106 564 L CA 1.521 56.189 54.840 -0.287 0.000 0.793 564 L CB -1.384 40.519 42.059 -0.261 0.000 0.927 564 L HN 0.445 nan 8.230 nan 0.000 0.446 565 H N -1.187 117.834 119.070 -0.082 0.000 2.675 565 H HA 0.385 4.890 4.556 -0.085 0.000 0.258 565 H C 0.829 176.111 175.328 -0.078 0.000 1.271 565 H CA 0.173 56.199 56.048 -0.038 0.000 1.462 565 H CB 1.049 30.806 29.762 -0.009 0.000 1.467 565 H HN -0.014 nan 8.280 nan 0.000 0.501 566 A N 2.132 124.904 122.820 -0.079 0.000 2.119 566 A HA -0.064 4.201 4.320 -0.090 0.000 0.217 566 A C 1.241 178.651 177.584 -0.289 0.000 1.153 566 A CA 0.792 52.688 52.037 -0.236 0.000 0.692 566 A CB -0.428 18.373 19.000 -0.332 0.000 0.799 566 A HN 0.379 nan 8.150 nan 0.000 0.458 567 F N 0.465 120.421 119.950 0.009 0.000 2.473 567 F HA 0.050 4.517 4.527 -0.099 0.000 0.294 567 F C 1.692 177.501 175.800 0.015 0.000 1.103 567 F CA 0.590 58.619 58.000 0.048 0.000 1.442 567 F CB -0.150 38.910 39.000 0.100 0.000 1.097 567 F HN 0.391 nan 8.300 nan 0.000 0.547 568 Q N 1.040 120.922 119.800 0.137 0.000 2.396 568 Q HA 0.549 4.835 4.340 -0.090 0.000 0.221 568 Q C -0.040 175.977 176.000 0.028 0.000 1.025 568 Q CA -0.701 55.125 55.803 0.037 0.000 0.946 568 Q CB 0.812 29.554 28.738 0.006 0.000 1.224 568 Q HN 0.105 nan 8.270 nan 0.000 0.539 569 A N 1.962 124.790 122.820 0.012 0.000 2.524 569 A HA 0.162 4.428 4.320 -0.090 0.000 0.250 569 A C -0.783 176.824 177.584 0.038 0.000 1.078 569 A CA -0.140 51.918 52.037 0.034 0.000 0.761 569 A CB -0.625 18.390 19.000 0.024 0.000 1.012 569 A HN 0.765 nan 8.150 nan 0.000 0.500 570 N N 2.147 120.892 118.700 0.075 0.000 2.296 570 N HA 0.320 5.006 4.740 -0.090 0.000 0.294 570 N C -1.228 174.445 175.510 0.271 0.000 1.033 570 N CA -0.675 52.431 53.050 0.092 0.000 0.839 570 N CB 1.490 39.916 38.487 -0.103 0.000 1.395 570 N HN 0.673 nan 8.380 nan 0.000 0.479 571 N N 1.260 120.114 118.700 0.257 0.000 2.473 571 N HA 0.164 4.850 4.740 -0.090 0.000 0.291 571 N C -1.328 174.391 175.510 0.348 0.000 1.083 571 N CA -0.244 52.962 53.050 0.261 0.000 0.951 571 N CB 1.525 40.083 38.487 0.118 0.000 1.164 571 N HN 0.499 nan 8.380 nan 0.000 0.480 572 Y N 2.690 122.979 120.300 -0.017 0.000 2.320 572 Y HA 0.384 4.879 4.550 -0.092 0.000 0.334 572 Y C -1.502 174.330 175.900 -0.114 0.000 1.055 572 Y CA -1.384 56.525 58.100 -0.319 0.000 1.143 572 Y CB 1.213 39.116 38.460 -0.929 0.000 1.193 572 Y HN 0.477 nan 8.280 nan 0.000 0.477 573 P HA 0.050 nan 4.420 nan 0.000 0.274 573 P C 1.007 178.149 177.300 -0.264 0.000 1.352 573 P CA 0.343 62.762 63.100 -1.134 0.000 0.947 573 P CB 0.104 30.944 31.700 -1.435 0.000 1.437 574 H N 2.000 120.979 119.070 -0.152 0.000 2.321 574 H HA -0.132 4.369 4.556 -0.091 0.000 0.295 574 H C 0.249 175.583 175.328 0.009 0.000 1.102 574 H CA 1.853 57.868 56.048 -0.054 0.000 1.266 574 H CB -0.165 29.581 29.762 -0.026 0.000 1.363 574 H HN 0.033 nan 8.280 nan 0.000 0.492 575 D N -0.382 120.221 120.400 0.338 0.000 2.319 575 D HA 0.030 4.616 4.640 -0.090 0.000 0.230 575 D C -0.410 175.908 176.300 0.030 0.000 1.094 575 D CA 0.107 54.228 54.000 0.203 0.000 0.856 575 D CB -0.324 40.564 40.800 0.148 0.000 0.915 575 D HN 0.109 nan 8.370 nan 0.000 0.517 576 F N 0.958 120.869 119.950 -0.066 0.000 2.458 576 F HA 0.257 4.732 4.527 -0.087 0.000 0.336 576 F C 0.626 176.400 175.800 -0.044 0.000 1.114 576 F CA -1.308 56.671 58.000 -0.035 0.000 0.987 576 F CB 1.504 40.515 39.000 0.017 0.000 1.130 576 F HN -0.297 nan 8.300 nan 0.000 0.458 577 V N -0.600 119.374 119.914 0.100 0.000 3.096 577 V HA 0.599 4.665 4.120 -0.090 0.000 0.319 577 V C -0.660 175.491 176.094 0.095 0.000 1.103 577 V CA -0.969 61.366 62.300 0.058 0.000 1.016 577 V CB 1.803 33.626 31.823 0.001 0.000 1.090 577 V HN 0.664 nan 8.190 nan 0.000 0.449 578 D N 0.196 120.635 120.400 0.064 0.000 2.341 578 D HA 0.225 4.811 4.640 -0.090 0.000 0.245 578 D C 0.970 177.298 176.300 0.045 0.000 1.106 578 D CA 0.145 54.186 54.000 0.068 0.000 0.905 578 D CB 1.453 42.281 40.800 0.048 0.000 1.202 578 D HN 0.706 nan 8.370 nan 0.000 0.426 579 c N 1.400 120.029 118.600 0.048 0.000 2.403 579 c HA -0.175 4.341 4.570 -0.090 0.000 0.282 579 c C 2.651 176.745 174.090 0.005 0.000 1.297 579 c CA 1.421 57.764 56.329 0.024 0.000 1.785 579 c CB -1.459 41.065 42.510 0.023 0.000 1.963 579 c HN 0.801 nan 8.230 nan 0.000 0.507 580 S N 0.976 116.681 115.700 0.009 0.000 2.442 580 S HA -0.036 4.380 4.470 -0.090 0.000 0.236 580 S C 1.741 176.338 174.600 -0.004 0.000 1.007 580 S CA 1.210 59.411 58.200 0.001 0.000 0.965 580 S CB -0.359 62.844 63.200 0.005 0.000 0.773 580 S HN 0.667 nan 8.310 nan 0.000 0.504 581 A N 0.828 123.645 122.820 -0.005 0.000 2.169 581 A HA 0.464 4.729 4.320 -0.090 0.000 0.212 581 A C 0.796 178.367 177.584 -0.022 0.000 1.153 581 A CA 0.042 52.073 52.037 -0.011 0.000 0.756 581 A CB -0.186 18.807 19.000 -0.011 0.000 0.813 581 A HN 0.383 nan 8.150 nan 0.000 0.471 582 V N 1.858 121.757 119.914 -0.025 0.000 2.465 582 V HA 0.169 4.235 4.120 -0.090 0.000 0.279 582 V C -0.663 175.412 176.094 -0.032 0.000 1.045 582 V CA -0.985 61.292 62.300 -0.038 0.000 0.938 582 V CB 1.183 32.979 31.823 -0.044 0.000 0.986 582 V HN 0.326 nan 8.190 nan 0.000 0.467 583 D N 3.845 124.225 120.400 -0.033 0.000 2.488 583 D HA 0.169 4.755 4.640 -0.090 0.000 0.238 583 D C 0.224 176.508 176.300 -0.028 0.000 1.138 583 D CA 0.443 54.429 54.000 -0.023 0.000 0.873 583 D CB 0.537 41.326 40.800 -0.018 0.000 1.183 583 D HN 0.458 nan 8.370 nan 0.000 0.458 584 K N 0.777 121.162 120.400 -0.025 0.000 2.109 584 K HA 0.443 4.709 4.320 -0.090 0.000 0.243 584 K C -0.373 176.209 176.600 -0.031 0.000 1.006 584 K CA -1.078 55.187 56.287 -0.036 0.000 0.917 584 K CB 0.997 33.475 32.500 -0.036 0.000 1.081 584 K HN 0.221 nan 8.250 nan 0.000 0.468 585 L N 1.888 123.079 121.223 -0.052 0.000 2.260 585 L HA 0.168 4.454 4.340 -0.090 0.000 0.289 585 L C -0.774 176.073 176.870 -0.038 0.000 1.057 585 L CA -0.106 54.704 54.840 -0.051 0.000 0.811 585 L CB 0.555 42.552 42.059 -0.103 0.000 1.184 585 L HN 0.419 nan 8.230 nan 0.000 0.429 586 D N 4.378 124.789 120.400 0.019 0.000 2.316 586 D HA 0.149 4.735 4.640 -0.090 0.000 0.245 586 D C 0.550 176.926 176.300 0.128 0.000 1.171 586 D CA 0.123 54.155 54.000 0.052 0.000 0.856 586 D CB 0.897 41.738 40.800 0.069 0.000 1.090 586 D HN 0.656 nan 8.370 nan 0.000 0.476 587 L N 2.768 124.041 121.223 0.083 0.000 2.628 587 L HA 0.010 4.295 4.340 -0.090 0.000 0.229 587 L C 2.155 179.201 176.870 0.294 0.000 1.137 587 L CA -0.027 54.917 54.840 0.174 0.000 0.909 587 L CB -0.092 41.924 42.059 -0.072 0.000 1.137 587 L HN 0.354 nan 8.230 nan 0.000 0.470 588 S N 0.056 115.868 115.700 0.185 0.000 2.383 588 S HA -0.106 4.310 4.470 -0.090 0.000 0.229 588 S C -0.631 174.067 174.600 0.164 0.000 1.030 588 S CA 0.750 59.032 58.200 0.137 0.000 1.002 588 S CB -1.688 61.557 63.200 0.075 0.000 0.829 588 S HN 0.270 nan 8.310 nan 0.000 0.467 589 P HA -0.069 nan 4.420 nan 0.000 0.226 589 P C 0.595 177.874 177.300 -0.035 0.000 1.146 589 P CA 0.903 64.016 63.100 0.020 0.000 0.773 589 P CB -0.210 31.424 31.700 -0.111 0.000 0.772 590 W N -0.794 120.547 121.300 0.067 0.000 3.278 590 W HA 0.402 5.017 4.660 -0.075 0.000 0.308 590 W C 0.401 176.928 176.519 0.012 0.000 1.253 590 W CA -0.490 56.919 57.345 0.106 0.000 1.759 590 W CB 0.039 29.571 29.460 0.121 0.000 1.093 590 W HN -0.146 nan 8.180 nan 0.000 0.648 591 A N 1.633 124.544 122.820 0.151 0.000 2.491 591 A HA 0.228 4.494 4.320 -0.090 0.000 0.261 591 A C 0.429 178.053 177.584 0.067 0.000 1.101 591 A CA 0.562 52.621 52.037 0.035 0.000 0.772 591 A CB 0.212 19.230 19.000 0.030 0.000 1.043 591 A HN 0.012 nan 8.150 nan 0.000 0.501 592 S N 3.081 118.820 115.700 0.065 0.000 2.475 592 S HA 0.669 5.085 4.470 -0.090 0.000 0.298 592 S C -0.271 174.431 174.600 0.171 0.000 1.119 592 S CA -0.794 57.520 58.200 0.190 0.000 1.085 592 S CB 0.640 64.080 63.200 0.399 0.000 1.028 592 S HN 0.672 nan 8.310 nan 0.000 0.489 593 R N 2.497 123.074 120.500 0.129 0.000 2.637 593 R HA 0.433 4.719 4.340 -0.090 0.000 0.291 593 R C 0.641 176.975 176.300 0.057 0.000 0.963 593 R CA -0.757 55.379 56.100 0.061 0.000 0.901 593 R CB 1.389 31.706 30.300 0.028 0.000 1.160 593 R HN 0.751 nan 8.270 nan 0.000 0.457 594 E N 1.705 121.893 120.200 -0.021 0.000 1.994 594 E HA -0.029 4.267 4.350 -0.090 0.000 0.197 594 E C 0.352 176.959 176.600 0.011 0.000 0.982 594 E CA 0.836 57.227 56.400 -0.016 0.000 0.855 594 E CB -0.389 29.250 29.700 -0.102 0.000 0.806 594 E HN 0.498 nan 8.360 nan 0.000 0.495 595 N N 0.000 118.696 118.700 -0.006 0.000 1.763 595 N HA 0.000 4.686 4.740 -0.090 0.000 0.220 595 N CA 0.000 53.052 53.050 0.004 0.000 0.885 595 N CB 0.000 38.485 38.487 -0.003 0.000 1.341 595 N HN 0.000 nan 8.380 nan 0.000 0.667