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 2efb_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 0.000 174.760 174.600 0.267 0.000 1.055 1 S CA 0.000 58.283 58.200 0.139 0.000 1.107 1 S CB 0.000 63.271 63.200 0.119 0.000 0.593 2 W N 0.932 122.240 121.300 0.012 0.000 3.031 2 W HA 0.679 4.926 4.660 -0.689 0.000 0.337 2 W C -0.621 175.906 176.519 0.012 0.000 1.187 2 W CA -0.417 56.933 57.345 0.009 0.000 1.166 2 W CB 1.247 30.708 29.460 0.002 0.000 1.437 2 W HN 0.925 nan 8.180 nan 0.000 0.551 3 E N 1.626 121.696 120.200 -0.216 0.000 2.216 3 E HA -0.162 3.776 4.350 -0.688 0.000 0.162 3 E C 1.020 177.583 176.600 -0.062 0.000 1.642 3 E CA 1.035 57.297 56.400 -0.231 0.000 0.599 3 E CB -0.775 28.740 29.700 -0.308 0.000 1.045 3 E HN 0.530 nan 8.360 nan 0.000 0.308 4 V N -0.071 119.826 119.914 -0.029 0.000 3.546 4 V HA 0.166 3.873 4.120 -0.688 0.000 0.272 4 V C 1.107 177.202 176.094 0.001 0.000 1.228 4 V CA 1.106 63.412 62.300 0.010 0.000 1.184 4 V CB 0.014 31.850 31.823 0.023 0.000 0.886 4 V HN 0.500 nan 8.190 nan 0.000 0.508 5 G N -1.285 107.502 108.800 -0.023 0.000 4.377 5 G HA2 0.249 3.797 3.960 -0.688 0.000 0.251 5 G HA3 0.249 3.797 3.960 -0.688 0.000 0.251 5 G C -0.431 174.449 174.900 -0.033 0.000 2.912 5 G CA -0.126 44.965 45.100 -0.016 0.000 0.606 5 G HN 0.279 nan 8.290 nan 0.000 0.282 6 c N 0.228 118.809 118.600 -0.032 0.000 2.705 6 c HA 0.739 4.896 4.570 -0.688 0.000 0.382 6 c C 1.292 175.371 174.090 -0.017 0.000 1.322 6 c CA 1.249 57.558 56.329 -0.033 0.000 2.290 6 c CB 0.593 43.090 42.510 -0.021 0.000 2.650 6 c HN 0.945 nan 8.230 nan 0.000 0.695 7 G N 1.082 109.869 108.800 -0.022 0.000 2.711 7 G HA2 0.671 4.218 3.960 -0.688 0.000 0.288 7 G HA3 0.671 4.218 3.960 -0.688 0.000 0.288 7 G C -0.766 174.119 174.900 -0.024 0.000 1.451 7 G CA 0.519 45.609 45.100 -0.017 0.000 1.186 7 G HN 1.138 nan 8.290 nan 0.000 0.560 8 A N 3.298 126.103 122.820 -0.024 0.000 3.521 8 A HA 0.966 4.873 4.320 -0.688 0.000 0.181 8 A C -1.390 176.177 177.584 -0.027 0.000 1.386 8 A CA -1.101 50.912 52.037 -0.038 0.000 0.873 8 A CB -0.143 18.824 19.000 -0.056 0.000 1.634 8 A HN 0.399 nan 8.150 nan 0.000 0.551 9 P HA -0.067 nan 4.420 nan 0.000 0.226 9 P C -0.096 177.203 177.300 -0.002 0.000 1.139 9 P CA 0.453 63.542 63.100 -0.018 0.000 0.777 9 P CB -0.752 30.935 31.700 -0.021 0.000 0.757 10 V N 2.014 121.929 119.914 0.002 0.000 2.621 10 V HA -0.090 3.617 4.120 -0.688 0.000 0.300 10 V C -1.015 175.088 176.094 0.015 0.000 1.031 10 V CA -0.244 62.065 62.300 0.014 0.000 1.210 10 V CB -0.905 30.927 31.823 0.015 0.000 0.864 10 V HN 0.221 nan 8.190 nan 0.000 0.477 11 P HA 0.429 nan 4.420 nan 0.000 0.328 11 P C 0.826 178.140 177.300 0.023 0.000 1.305 11 P CA -0.784 62.329 63.100 0.021 0.000 0.745 11 P CB 0.338 32.054 31.700 0.026 0.000 1.462 12 L N -1.222 120.014 121.223 0.022 0.000 1.958 12 L HA -0.111 3.817 4.340 -0.688 0.000 0.238 12 L C 1.035 177.919 176.870 0.023 0.000 1.092 12 L CA 1.599 56.451 54.840 0.020 0.000 0.826 12 L CB -2.380 39.690 42.059 0.018 0.000 0.909 12 L HN 0.082 nan 8.230 nan 0.000 0.436 13 V N -2.294 117.636 119.914 0.027 0.000 3.234 13 V HA 0.591 4.298 4.120 -0.688 0.000 0.317 13 V C 0.343 176.457 176.094 0.033 0.000 1.147 13 V CA -0.508 61.808 62.300 0.027 0.000 1.037 13 V CB 1.364 33.202 31.823 0.024 0.000 1.148 13 V HN 0.595 nan 8.190 nan 0.000 0.455 14 T N -0.579 113.993 114.554 0.030 0.000 2.897 14 T HA 0.336 4.273 4.350 -0.688 0.000 0.278 14 T C -0.227 174.493 174.700 0.034 0.000 0.981 14 T CA -0.269 61.852 62.100 0.033 0.000 0.973 14 T CB 1.057 69.942 68.868 0.028 0.000 1.092 14 T HN 0.791 nan 8.240 nan 0.000 0.543 15 c N 1.308 119.930 118.600 0.037 0.000 2.593 15 c HA 0.181 4.338 4.570 -0.688 0.000 0.409 15 c C 1.752 175.860 174.090 0.030 0.000 1.304 15 c CA -0.339 56.014 56.329 0.040 0.000 2.007 15 c CB -0.553 41.985 42.510 0.046 0.000 2.614 15 c HN 0.959 nan 8.230 nan 0.000 0.585 16 D N -0.043 120.374 120.400 0.029 0.000 2.363 16 D HA -0.009 4.218 4.640 -0.688 0.000 0.226 16 D C 1.549 177.856 176.300 0.012 0.000 1.020 16 D CA 0.659 54.669 54.000 0.018 0.000 0.892 16 D CB 0.052 40.861 40.800 0.015 0.000 0.900 16 D HN 0.775 nan 8.370 nan 0.000 0.531 17 E N -0.533 119.679 120.200 0.020 0.000 4.537 17 E HA -0.318 3.620 4.350 -0.688 0.000 0.247 17 E C 0.306 176.904 176.600 -0.003 0.000 0.792 17 E CA 1.718 58.126 56.400 0.013 0.000 1.356 17 E CB -0.700 29.005 29.700 0.008 0.000 1.709 17 E HN 0.394 nan 8.360 nan 0.000 0.385 18 Q N -0.715 119.077 119.800 -0.013 0.000 2.055 18 Q HA 0.229 4.156 4.340 -0.688 0.000 0.226 18 Q C -0.526 175.441 176.000 -0.056 0.000 0.805 18 Q CA 0.461 56.242 55.803 -0.037 0.000 1.072 18 Q CB 1.386 30.100 28.738 -0.040 0.000 1.219 18 Q HN 0.154 nan 8.270 nan 0.000 0.451 19 S N 2.660 118.339 115.700 -0.036 0.000 2.548 19 S HA 0.260 4.317 4.470 -0.688 0.000 0.277 19 S C -1.390 173.162 174.600 -0.081 0.000 1.315 19 S CA -0.991 57.156 58.200 -0.087 0.000 1.050 19 S CB 0.820 63.998 63.200 -0.037 0.000 0.918 19 S HN 0.074 nan 8.310 nan 0.000 0.497 20 P HA 0.147 nan 4.420 nan 0.000 0.249 20 P C -0.868 176.324 177.300 -0.181 0.000 1.229 20 P CA 0.282 63.223 63.100 -0.265 0.000 0.788 20 P CB -0.023 31.363 31.700 -0.525 0.000 1.072 21 Y N 0.351 120.591 120.300 -0.101 0.000 2.387 21 Y HA 0.424 4.561 4.550 -0.688 0.000 0.336 21 Y C 1.320 176.816 175.900 -0.674 0.000 1.067 21 Y CA -1.771 56.119 58.100 -0.350 0.000 1.114 21 Y CB 0.868 39.189 38.460 -0.232 0.000 1.208 21 Y HN -0.296 nan 8.280 nan 0.000 0.458 22 R N 0.623 120.663 120.500 -0.766 0.000 2.734 22 R HA 0.224 4.151 4.340 -0.688 0.000 0.266 22 R C 0.292 176.404 176.300 -0.314 0.000 1.044 22 R CA -0.046 55.585 56.100 -0.783 0.000 1.128 22 R CB 0.252 30.216 30.300 -0.560 0.000 1.010 22 R HN 0.801 nan 8.270 nan 0.000 0.461 23 T N -0.948 113.487 114.554 -0.197 0.000 2.882 23 T HA 0.154 4.091 4.350 -0.688 0.000 0.287 23 T C 1.606 176.293 174.700 -0.021 0.000 1.014 23 T CA -0.933 61.131 62.100 -0.060 0.000 1.049 23 T CB 0.723 69.588 68.868 -0.005 0.000 1.001 23 T HN 0.286 nan 8.240 nan 0.000 0.525 24 I N 1.957 122.541 120.570 0.023 0.000 2.252 24 I HA -0.120 3.637 4.170 -0.688 0.000 0.245 24 I C 2.869 179.040 176.117 0.089 0.000 1.102 24 I CA 2.066 63.404 61.300 0.063 0.000 1.385 24 I CB -1.660 36.390 38.000 0.082 0.000 1.064 24 I HN 0.987 nan 8.210 nan 0.000 0.414 25 T N -2.094 112.511 114.554 0.085 0.000 3.088 25 T HA 0.200 4.137 4.350 -0.688 0.000 0.259 25 T C 1.579 176.367 174.700 0.148 0.000 1.122 25 T CA 0.808 62.972 62.100 0.105 0.000 1.095 25 T CB 0.147 69.067 68.868 0.087 0.000 0.930 25 T HN 0.509 nan 8.240 nan 0.000 0.508 26 G N 0.995 109.885 108.800 0.150 0.000 2.175 26 G HA2 -0.212 3.335 3.960 -0.688 0.000 0.244 26 G HA3 -0.212 3.335 3.960 -0.688 0.000 0.244 26 G C -0.112 174.938 174.900 0.250 0.000 0.982 26 G CA 0.019 45.269 45.100 0.249 0.000 0.641 26 G HN 0.581 nan 8.290 nan 0.000 0.527 27 D N -0.759 119.740 120.400 0.165 0.000 2.319 27 D HA 0.225 4.452 4.640 -0.688 0.000 0.235 27 D C 1.634 178.008 176.300 0.124 0.000 1.304 27 D CA 1.080 55.167 54.000 0.144 0.000 0.894 27 D CB 0.474 41.334 40.800 0.100 0.000 1.183 27 D HN 0.709 nan 8.370 nan 0.000 0.472 28 c N 0.191 118.864 118.600 0.122 0.000 4.378 28 c HA -0.186 3.971 4.570 -0.688 0.000 0.279 28 c C 2.005 176.173 174.090 0.130 0.000 1.481 28 c CA 0.415 56.810 56.329 0.109 0.000 1.849 28 c CB -2.450 40.112 42.510 0.087 0.000 1.542 28 c HN 0.718 nan 8.230 nan 0.000 0.743 29 N N 1.732 120.509 118.700 0.128 0.000 2.083 29 N HA -0.090 4.237 4.740 -0.688 0.000 0.190 29 N C 0.507 176.076 175.510 0.097 0.000 1.047 29 N CA 1.319 54.416 53.050 0.078 0.000 0.845 29 N CB -0.227 38.138 38.487 -0.204 0.000 1.025 29 N HN 0.790 nan 8.380 nan 0.000 0.428 30 N N 0.897 119.717 118.700 0.201 0.000 2.497 30 N HA 0.025 4.353 4.740 -0.688 0.000 0.271 30 N C 0.732 176.337 175.510 0.159 0.000 1.142 30 N CA 0.024 53.214 53.050 0.234 0.000 0.965 30 N CB 0.959 39.606 38.487 0.266 0.000 1.077 30 N HN 0.205 nan 8.380 nan 0.000 0.462 31 R N 2.159 122.743 120.500 0.140 0.000 2.080 31 R HA 0.080 4.007 4.340 -0.688 0.000 0.222 31 R C 1.571 177.918 176.300 0.079 0.000 1.107 31 R CA 0.735 56.891 56.100 0.093 0.000 0.980 31 R CB 0.117 30.461 30.300 0.073 0.000 0.879 31 R HN 0.415 nan 8.270 nan 0.000 0.439 32 R N -0.065 120.483 120.500 0.080 0.000 2.092 32 R HA 0.071 3.998 4.340 -0.688 0.000 0.231 32 R C 0.604 176.944 176.300 0.066 0.000 1.119 32 R CA 0.968 57.105 56.100 0.061 0.000 0.970 32 R CB -0.068 30.261 30.300 0.049 0.000 0.864 32 R HN -0.067 nan 8.270 nan 0.000 0.440 33 S N 0.923 116.675 115.700 0.087 0.000 2.252 33 S HA 0.292 4.350 4.470 -0.688 0.000 0.187 33 S C -2.035 172.633 174.600 0.113 0.000 1.587 33 S CA -1.657 56.597 58.200 0.090 0.000 1.215 33 S CB 0.852 64.106 63.200 0.089 0.000 1.085 33 S HN -0.026 nan 8.310 nan 0.000 0.466 34 P HA -0.130 nan 4.420 nan 0.000 0.217 34 P C 1.027 178.408 177.300 0.136 0.000 1.151 34 P CA 1.174 64.342 63.100 0.114 0.000 0.849 34 P CB 0.095 31.847 31.700 0.086 0.000 0.787 35 A N -1.323 121.568 122.820 0.119 0.000 2.238 35 A HA 0.076 3.984 4.320 -0.688 0.000 0.208 35 A C 1.001 178.671 177.584 0.144 0.000 1.177 35 A CA -0.136 51.974 52.037 0.121 0.000 0.804 35 A CB -0.969 18.083 19.000 0.087 0.000 0.823 35 A HN 0.096 nan 8.150 nan 0.000 0.482 36 L N 0.765 122.088 121.223 0.166 0.000 2.562 36 L HA 0.384 4.311 4.340 -0.688 0.000 0.271 36 L C 1.407 178.410 176.870 0.222 0.000 1.167 36 L CA 1.516 56.459 54.840 0.172 0.000 0.917 36 L CB -0.248 41.922 42.059 0.185 0.000 1.187 36 L HN 0.627 nan 8.230 nan 0.000 0.482 37 G N 2.792 111.634 108.800 0.069 0.000 2.159 37 G HA2 -0.198 3.350 3.960 -0.688 0.000 0.256 37 G HA3 -0.198 3.350 3.960 -0.688 0.000 0.256 37 G C 0.492 175.428 174.900 0.059 0.000 0.977 37 G CA 0.232 45.242 45.100 -0.150 0.000 0.652 37 G HN 1.059 nan 8.290 nan 0.000 0.531 38 A N -0.211 122.708 122.820 0.164 0.000 2.280 38 A HA 0.924 4.832 4.320 -0.688 0.000 0.268 38 A C 0.975 178.626 177.584 0.111 0.000 1.111 38 A CA 0.888 53.032 52.037 0.179 0.000 0.814 38 A CB 0.490 19.582 19.000 0.154 0.000 1.093 38 A HN 2.048 nan 8.150 nan 0.000 0.498 39 A N 0.274 123.160 122.820 0.111 0.000 2.271 39 A HA 0.493 4.400 4.320 -0.688 0.000 0.288 39 A C 0.775 178.397 177.584 0.063 0.000 1.094 39 A CA -0.079 52.010 52.037 0.088 0.000 0.828 39 A CB -0.203 18.857 19.000 0.100 0.000 1.091 39 A HN 1.690 nan 8.150 nan 0.000 0.493 40 N N -0.033 118.697 118.700 0.050 0.000 2.696 40 N HA -0.216 4.111 4.740 -0.688 0.000 0.254 40 N C -0.371 175.150 175.510 0.018 0.000 0.988 40 N CA 0.657 53.722 53.050 0.025 0.000 0.775 40 N CB -0.970 37.524 38.487 0.012 0.000 0.933 40 N HN 0.571 nan 8.380 nan 0.000 0.539 41 R N 0.003 120.520 120.500 0.028 0.000 2.691 41 R HA 0.642 4.569 4.340 -0.688 0.000 0.259 41 R C 0.453 176.769 176.300 0.027 0.000 1.048 41 R CA -0.243 55.874 56.100 0.029 0.000 1.086 41 R CB 0.605 30.930 30.300 0.042 0.000 1.166 41 R HN 0.308 nan 8.270 nan 0.000 0.526 42 A N 1.442 124.282 122.820 0.034 0.000 2.498 42 A HA 0.157 4.064 4.320 -0.688 0.000 0.239 42 A C 0.444 178.053 177.584 0.042 0.000 1.068 42 A CA -0.215 51.846 52.037 0.041 0.000 0.766 42 A CB -0.138 18.895 19.000 0.054 0.000 1.003 42 A HN 0.563 nan 8.150 nan 0.000 0.497 43 L N 1.587 122.835 121.223 0.042 0.000 2.525 43 L HA 0.207 4.134 4.340 -0.688 0.000 0.278 43 L C 1.210 178.114 176.870 0.056 0.000 1.218 43 L CA -0.078 54.787 54.840 0.041 0.000 0.878 43 L CB 0.260 42.353 42.059 0.057 0.000 1.127 43 L HN 0.879 nan 8.230 nan 0.000 0.492 44 A N 5.347 128.197 122.820 0.050 0.000 2.386 44 A HA 0.445 4.352 4.320 -0.688 0.000 0.246 44 A C -0.001 177.647 177.584 0.106 0.000 1.089 44 A CA -0.255 51.845 52.037 0.106 0.000 0.790 44 A CB 0.327 19.430 19.000 0.171 0.000 1.042 44 A HN 0.690 nan 8.150 nan 0.000 0.497 45 R N 0.300 120.918 120.500 0.197 0.000 2.435 45 R HA 0.139 4.066 4.340 -0.688 0.000 0.308 45 R C -0.749 175.790 176.300 0.398 0.000 0.975 45 R CA -0.352 55.880 56.100 0.221 0.000 0.867 45 R CB 0.916 31.322 30.300 0.176 0.000 1.171 45 R HN 0.929 nan 8.270 nan 0.000 0.470 46 W N 2.296 123.686 121.300 0.149 0.000 3.047 46 W HA 0.227 4.480 4.660 -0.677 0.000 0.250 46 W C 0.341 176.917 176.519 0.095 0.000 1.314 46 W CA 0.178 57.612 57.345 0.148 0.000 1.540 46 W CB 0.039 29.528 29.460 0.049 0.000 1.127 46 W HN 0.255 nan 8.180 nan 0.000 0.679 47 L N -0.292 121.078 121.223 0.245 0.000 2.506 47 L HA 0.322 4.249 4.340 -0.688 0.000 0.257 47 L C -2.328 174.563 176.870 0.035 0.000 0.964 47 L CA -1.993 52.853 54.840 0.011 0.000 0.836 47 L CB 2.336 44.144 42.059 -0.418 0.000 1.384 47 L HN -0.495 nan 8.230 nan 0.000 0.410 48 P HA 0.184 nan 4.420 nan 0.000 0.271 48 P C -0.716 176.583 177.300 -0.002 0.000 1.218 48 P CA -0.259 62.855 63.100 0.024 0.000 0.780 48 P CB 0.703 32.413 31.700 0.016 0.000 0.901 49 A N 2.259 125.087 122.820 0.014 0.000 2.425 49 A HA 0.166 4.074 4.320 -0.688 0.000 0.242 49 A C 0.035 177.551 177.584 -0.112 0.000 1.077 49 A CA -0.068 51.929 52.037 -0.067 0.000 0.781 49 A CB -0.114 18.868 19.000 -0.030 0.000 1.020 49 A HN 0.575 nan 8.150 nan 0.000 0.494 50 E N 0.819 120.876 120.200 -0.238 0.000 2.255 50 E HA 0.386 4.323 4.350 -0.688 0.000 0.245 50 E C -1.698 174.693 176.600 -0.349 0.000 0.909 50 E CA 0.009 56.346 56.400 -0.105 0.000 0.747 50 E CB 0.956 30.727 29.700 0.118 0.000 1.215 50 E HN 0.636 nan 8.360 nan 0.000 0.424 51 Y N 0.391 120.561 120.300 -0.217 0.000 2.534 51 Y HA 0.130 4.267 4.550 -0.689 0.000 0.329 51 Y C 1.679 177.082 175.900 -0.829 0.000 1.154 51 Y CA -0.728 57.072 58.100 -0.500 0.000 1.192 51 Y CB 0.991 39.243 38.460 -0.347 0.000 1.275 51 Y HN 0.435 nan 8.280 nan 0.000 0.491 52 E N 0.501 120.211 120.200 -0.817 0.000 2.160 52 E HA -0.227 3.710 4.350 -0.688 0.000 0.195 52 E C 0.212 176.669 176.600 -0.238 0.000 0.991 52 E CA 1.745 57.746 56.400 -0.665 0.000 0.810 52 E CB 0.065 29.564 29.700 -0.335 0.000 0.742 52 E HN 0.787 nan 8.360 nan 0.000 0.466 53 D N -1.848 118.442 120.400 -0.184 0.000 2.501 53 D HA 0.112 4.339 4.640 -0.688 0.000 0.226 53 D C 0.913 177.165 176.300 -0.080 0.000 1.198 53 D CA 0.355 54.291 54.000 -0.107 0.000 0.830 53 D CB 0.121 40.854 40.800 -0.112 0.000 1.014 53 D HN 0.210 nan 8.370 nan 0.000 0.496 54 G N 0.558 109.328 108.800 -0.049 0.000 2.244 54 G HA2 -0.334 3.213 3.960 -0.688 0.000 0.274 54 G HA3 -0.334 3.213 3.960 -0.688 0.000 0.274 54 G C 0.619 175.519 174.900 -0.001 0.000 1.002 54 G CA 1.310 46.413 45.100 0.005 0.000 0.740 54 G HN 0.486 nan 8.290 nan 0.000 0.516 55 L N -2.986 118.180 121.223 -0.096 0.000 2.775 55 L HA 0.607 4.534 4.340 -0.688 0.000 0.175 55 L C 2.176 178.610 176.870 -0.727 0.000 1.110 55 L CA 0.979 55.659 54.840 -0.266 0.000 0.862 55 L CB -0.012 41.873 42.059 -0.289 0.000 1.381 55 L HN 0.424 nan 8.230 nan 0.000 0.499 56 A N -1.194 120.996 122.820 -1.051 0.000 2.726 56 A HA 0.305 4.212 4.320 -0.688 0.000 0.192 56 A C -0.053 176.842 177.584 -1.149 0.000 1.412 56 A CA -0.081 50.943 52.037 -1.688 0.000 1.073 56 A CB 0.414 18.456 19.000 -1.598 0.000 1.331 56 A HN -0.031 nan 8.150 nan 0.000 0.537 57 V N 4.043 123.592 119.914 -0.608 0.000 2.488 57 V HA 0.289 3.996 4.120 -0.688 0.000 0.277 57 V C -2.171 173.795 176.094 -0.214 0.000 1.046 57 V CA -1.528 60.499 62.300 -0.456 0.000 0.986 57 V CB 0.946 32.501 31.823 -0.446 0.000 0.989 57 V HN 0.332 nan 8.190 nan 0.000 0.475 58 P HA 0.104 nan 4.420 nan 0.000 0.271 58 P C -0.417 176.902 177.300 0.032 0.000 1.218 58 P CA -0.208 62.898 63.100 0.010 0.000 0.780 58 P CB 0.476 32.104 31.700 -0.119 0.000 0.901 59 F N 0.792 120.855 119.950 0.188 0.000 2.529 59 F HA 0.303 4.416 4.527 -0.690 0.000 0.365 59 F C 1.970 177.935 175.800 0.276 0.000 1.102 59 F CA 1.750 59.867 58.000 0.194 0.000 1.271 59 F CB 0.043 39.132 39.000 0.148 0.000 1.120 59 F HN 0.684 nan 8.300 nan 0.000 0.579 60 G N 2.562 111.645 108.800 0.473 0.000 2.195 60 G HA2 -0.284 3.263 3.960 -0.688 0.000 0.224 60 G HA3 -0.284 3.263 3.960 -0.688 0.000 0.224 60 G C 0.843 175.988 174.900 0.408 0.000 0.990 60 G CA 0.157 45.487 45.100 0.383 0.000 0.639 60 G HN 0.775 nan 8.290 nan 0.000 0.514 61 W N 1.711 123.128 121.300 0.195 0.000 2.474 61 W HA 0.154 4.399 4.660 -0.691 0.000 0.319 61 W C 0.412 176.982 176.519 0.084 0.000 1.165 61 W CA 1.910 59.320 57.345 0.107 0.000 1.356 61 W CB -0.552 28.838 29.460 -0.117 0.000 1.172 61 W HN 0.166 nan 8.180 nan 0.000 0.478 62 T N 3.286 118.107 114.554 0.446 0.000 2.776 62 T HA 0.092 4.029 4.350 -0.688 0.000 0.292 62 T C 0.045 174.850 174.700 0.175 0.000 0.921 62 T CA -0.078 62.186 62.100 0.274 0.000 1.038 62 T CB 0.446 69.470 68.868 0.260 0.000 0.910 62 T HN 0.029 nan 8.240 nan 0.000 0.536 63 Q N 2.702 122.562 119.800 0.099 0.000 2.383 63 Q HA 0.149 4.076 4.340 -0.688 0.000 0.210 63 Q C 1.277 177.315 176.000 0.063 0.000 0.891 63 Q CA 0.041 55.885 55.803 0.069 0.000 0.985 63 Q CB -0.390 28.357 28.738 0.015 0.000 1.409 63 Q HN 0.719 nan 8.270 nan 0.000 0.391 64 R N -2.907 117.644 120.500 0.085 0.000 2.258 64 R HA 0.122 4.049 4.340 -0.688 0.000 0.188 64 R C -0.452 175.899 176.300 0.086 0.000 0.793 64 R CA -0.278 55.865 56.100 0.072 0.000 1.301 64 R CB 0.095 30.428 30.300 0.054 0.000 1.582 64 R HN -0.129 nan 8.270 nan 0.000 0.448 65 K N 2.724 123.196 120.400 0.121 0.000 2.312 65 K HA 0.219 4.126 4.320 -0.688 0.000 0.287 65 K C -0.073 176.626 176.600 0.166 0.000 1.062 65 K CA 0.318 56.690 56.287 0.141 0.000 0.934 65 K CB 1.616 34.221 32.500 0.174 0.000 1.027 65 K HN 0.358 nan 8.250 nan 0.000 0.478 66 T N 0.421 115.046 114.554 0.119 0.000 2.793 66 T HA 0.240 4.178 4.350 -0.688 0.000 0.299 66 T C 0.193 174.943 174.700 0.084 0.000 1.038 66 T CA -0.737 61.415 62.100 0.088 0.000 0.948 66 T CB 0.952 69.823 68.868 0.004 0.000 1.231 66 T HN 0.623 nan 8.240 nan 0.000 0.538 67 R N 0.517 121.003 120.500 -0.023 0.000 2.507 67 R HA 0.296 4.223 4.340 -0.688 0.000 0.298 67 R C -0.738 175.510 176.300 -0.088 0.000 1.087 67 R CA -0.450 55.513 56.100 -0.229 0.000 0.917 67 R CB -0.103 29.880 30.300 -0.529 0.000 1.173 67 R HN 0.792 nan 8.270 nan 0.000 0.472 68 N N 3.055 121.710 118.700 -0.074 0.000 2.754 68 N HA -0.182 4.145 4.740 -0.688 0.000 0.248 68 N C 0.495 175.911 175.510 -0.157 0.000 1.093 68 N CA 1.680 54.702 53.050 -0.047 0.000 0.699 68 N CB -1.204 37.299 38.487 0.027 0.000 1.016 68 N HN 1.093 nan 8.380 nan 0.000 0.552 69 G N -2.178 106.472 108.800 -0.250 0.000 2.175 69 G HA2 -0.282 3.265 3.960 -0.688 0.000 0.244 69 G HA3 -0.282 3.265 3.960 -0.688 0.000 0.244 69 G C -0.114 174.322 174.900 -0.772 0.000 0.982 69 G CA 0.331 45.093 45.100 -0.563 0.000 0.641 69 G HN 0.424 nan 8.290 nan 0.000 0.527 70 F N 0.066 120.018 119.950 0.004 0.000 2.601 70 F HA 0.624 4.738 4.527 -0.688 0.000 0.309 70 F C 0.671 176.476 175.800 0.009 0.000 1.089 70 F CA -1.291 56.714 58.000 0.008 0.000 0.940 70 F CB 1.308 40.314 39.000 0.011 0.000 1.273 70 F HN -0.109 nan 8.300 nan 0.000 0.450 71 R N 1.548 122.177 120.500 0.215 0.000 2.537 71 R HA 0.372 4.299 4.340 -0.688 0.000 0.280 71 R C -0.607 175.751 176.300 0.097 0.000 1.058 71 R CA -0.551 55.626 56.100 0.128 0.000 1.057 71 R CB 0.780 31.134 30.300 0.091 0.000 0.973 71 R HN 0.525 nan 8.270 nan 0.000 0.438 72 V N 1.617 121.586 119.914 0.092 0.000 2.555 72 V HA 0.258 3.965 4.120 -0.688 0.000 0.286 72 V C -1.657 174.427 176.094 -0.016 0.000 1.044 72 V CA -1.821 60.516 62.300 0.061 0.000 1.026 72 V CB 0.403 32.305 31.823 0.131 0.000 0.981 72 V HN 0.675 nan 8.190 nan 0.000 0.480 73 P HA 0.293 nan 4.420 nan 0.000 0.271 73 P C -0.174 177.055 177.300 -0.118 0.000 1.218 73 P CA -0.519 62.466 63.100 -0.191 0.000 0.780 73 P CB 0.827 32.282 31.700 -0.409 0.000 0.901 74 L N 1.673 122.842 121.223 -0.090 0.000 2.525 74 L HA -0.028 3.900 4.340 -0.688 0.000 0.278 74 L C 2.032 178.853 176.870 -0.081 0.000 1.218 74 L CA -0.117 54.673 54.840 -0.083 0.000 0.878 74 L CB -0.008 42.005 42.059 -0.077 0.000 1.127 74 L HN 0.491 nan 8.230 nan 0.000 0.492 75 A N 3.639 126.404 122.820 -0.091 0.000 1.892 75 A HA -0.244 3.663 4.320 -0.688 0.000 0.218 75 A C 2.278 179.845 177.584 -0.028 0.000 1.188 75 A CA 1.988 53.991 52.037 -0.057 0.000 0.631 75 A CB -0.426 18.498 19.000 -0.126 0.000 0.822 75 A HN 0.881 nan 8.150 nan 0.000 0.447 76 R N 0.167 120.634 120.500 -0.055 0.000 2.152 76 R HA -0.114 3.814 4.340 -0.688 0.000 0.232 76 R C 1.955 178.273 176.300 0.030 0.000 1.117 76 R CA 1.982 58.085 56.100 0.005 0.000 0.981 76 R CB -0.489 29.825 30.300 0.022 0.000 0.870 76 R HN 0.702 nan 8.270 nan 0.000 0.451 77 E N -0.565 119.635 120.200 -0.000 0.000 2.107 77 E HA -0.098 3.839 4.350 -0.688 0.000 0.191 77 E C 1.669 178.269 176.600 -0.000 0.000 0.982 77 E CA 1.190 57.587 56.400 -0.004 0.000 0.809 77 E CB 0.195 29.876 29.700 -0.032 0.000 0.756 77 E HN 0.237 nan 8.360 nan 0.000 0.459 78 V N 0.635 120.547 119.914 -0.003 0.000 2.332 78 V HA -0.261 3.446 4.120 -0.688 0.000 0.248 78 V C 2.447 178.599 176.094 0.097 0.000 1.055 78 V CA 1.878 64.203 62.300 0.042 0.000 1.038 78 V CB -0.657 31.224 31.823 0.097 0.000 0.651 78 V HN 0.253 nan 8.190 nan 0.000 0.450 79 S N 0.574 116.338 115.700 0.106 0.000 2.353 79 S HA -0.240 3.817 4.470 -0.688 0.000 0.222 79 S C 1.928 176.590 174.600 0.103 0.000 1.035 79 S CA 1.990 60.269 58.200 0.132 0.000 1.025 79 S CB -0.488 62.779 63.200 0.113 0.000 0.902 79 S HN 0.665 nan 8.310 nan 0.000 0.440 80 N N 0.862 119.604 118.700 0.069 0.000 2.289 80 N HA -0.017 4.310 4.740 -0.688 0.000 0.184 80 N C 1.566 177.105 175.510 0.049 0.000 1.016 80 N CA 0.986 54.066 53.050 0.050 0.000 0.872 80 N CB -0.140 38.365 38.487 0.030 0.000 0.973 80 N HN 0.532 nan 8.380 nan 0.000 0.433 81 K N -0.755 119.675 120.400 0.049 0.000 2.350 81 K HA 0.237 4.144 4.320 -0.688 0.000 0.196 81 K C 1.286 177.920 176.600 0.056 0.000 1.084 81 K CA 0.108 56.419 56.287 0.041 0.000 0.967 81 K CB 0.763 33.275 32.500 0.019 0.000 0.950 81 K HN -0.008 nan 8.250 nan 0.000 0.512 82 I N 0.280 120.895 120.570 0.074 0.000 2.685 82 I HA -0.062 3.695 4.170 -0.688 0.000 0.251 82 I C 2.082 178.259 176.117 0.101 0.000 1.102 82 I CA 0.910 62.257 61.300 0.078 0.000 1.442 82 I CB -0.599 37.453 38.000 0.087 0.000 1.194 82 I HN -0.181 nan 8.210 nan 0.000 0.448 83 V N 1.031 121.028 119.914 0.139 0.000 2.725 83 V HA 0.190 3.897 4.120 -0.688 0.000 0.247 83 V C 1.516 177.749 176.094 0.232 0.000 1.058 83 V CA 0.747 63.160 62.300 0.187 0.000 1.080 83 V CB -1.011 30.968 31.823 0.259 0.000 0.713 83 V HN 0.375 nan 8.190 nan 0.000 0.465 84 G N -0.269 108.644 108.800 0.188 0.000 2.572 84 G HA2 0.451 3.998 3.960 -0.688 0.000 0.261 84 G HA3 0.451 3.998 3.960 -0.688 0.000 0.261 84 G C -0.824 174.243 174.900 0.278 0.000 1.197 84 G CA 0.187 45.392 45.100 0.175 0.000 0.870 84 G HN 0.565 nan 8.290 nan 0.000 0.548 85 Y N -2.158 118.179 120.300 0.061 0.000 2.713 85 Y HA 0.552 4.687 4.550 -0.692 0.000 0.335 85 Y C -0.313 175.616 175.900 0.048 0.000 1.222 85 Y CA -1.199 56.932 58.100 0.051 0.000 1.061 85 Y CB 0.866 39.358 38.460 0.054 0.000 1.314 85 Y HN 0.278 nan 8.280 nan 0.000 0.453 86 L N -0.360 120.915 121.223 0.086 0.000 2.600 86 L HA 0.262 4.190 4.340 -0.688 0.000 0.213 86 L C 0.025 176.956 176.870 0.101 0.000 1.045 86 L CA 0.077 54.915 54.840 -0.003 0.000 0.863 86 L CB 0.262 42.336 42.059 0.026 0.000 1.189 86 L HN 0.618 nan 8.230 nan 0.000 0.484 87 D N 1.191 121.728 120.400 0.229 0.000 2.346 87 D HA -0.005 4.222 4.640 -0.688 0.000 0.260 87 D C 0.576 177.055 176.300 0.299 0.000 1.252 87 D CA 0.347 54.468 54.000 0.202 0.000 0.895 87 D CB 1.539 42.426 40.800 0.144 0.000 1.097 87 D HN 0.001 nan 8.370 nan 0.000 0.489 88 E N 2.364 122.700 120.200 0.227 0.000 2.489 88 E HA 0.002 3.939 4.350 -0.688 0.000 0.193 88 E C 0.061 176.759 176.600 0.164 0.000 1.057 88 E CA 0.036 56.591 56.400 0.257 0.000 0.866 88 E CB 0.098 29.906 29.700 0.180 0.000 0.916 88 E HN 0.535 nan 8.360 nan 0.000 0.500 89 E N -0.903 119.370 120.200 0.121 0.000 2.283 89 E HA 0.299 4.237 4.350 -0.688 0.000 0.278 89 E C 0.355 176.993 176.600 0.062 0.000 1.027 89 E CA 0.401 56.850 56.400 0.082 0.000 0.843 89 E CB 0.519 30.259 29.700 0.067 0.000 1.062 89 E HN 0.293 nan 8.360 nan 0.000 0.401 90 G N 2.885 111.717 108.800 0.053 0.000 2.179 90 G HA2 -0.284 3.263 3.960 -0.688 0.000 0.260 90 G HA3 -0.284 3.263 3.960 -0.688 0.000 0.260 90 G C 0.721 175.638 174.900 0.029 0.000 0.977 90 G CA 0.299 45.422 45.100 0.037 0.000 0.641 90 G HN 0.526 nan 8.290 nan 0.000 0.533 91 V N 0.902 120.840 119.914 0.041 0.000 3.306 91 V HA 0.341 4.049 4.120 -0.688 0.000 0.264 91 V C 1.519 177.645 176.094 0.054 0.000 1.149 91 V CA 0.901 63.217 62.300 0.026 0.000 1.143 91 V CB -0.162 31.689 31.823 0.046 0.000 0.767 91 V HN 0.414 nan 8.190 nan 0.000 0.476 92 L N 0.809 122.073 121.223 0.068 0.000 2.371 92 L HA 0.316 4.244 4.340 -0.688 0.000 0.272 92 L C 0.219 177.133 176.870 0.072 0.000 1.124 92 L CA -0.261 54.628 54.840 0.082 0.000 0.816 92 L CB 0.368 42.478 42.059 0.085 0.000 1.129 92 L HN 0.076 nan 8.230 nan 0.000 0.448 93 D N 2.299 122.751 120.400 0.087 0.000 2.358 93 D HA -0.025 4.202 4.640 -0.688 0.000 0.258 93 D C 0.759 177.091 176.300 0.054 0.000 1.223 93 D CA -0.065 53.978 54.000 0.071 0.000 0.886 93 D CB 1.259 42.117 40.800 0.096 0.000 1.120 93 D HN 0.411 nan 8.370 nan 0.000 0.482 94 Q N 2.618 122.440 119.800 0.035 0.000 2.437 94 Q HA -0.111 3.817 4.340 -0.688 0.000 0.210 94 Q C 0.581 176.593 176.000 0.019 0.000 0.972 94 Q CA 0.761 56.583 55.803 0.031 0.000 0.903 94 Q CB 0.061 28.813 28.738 0.023 0.000 0.967 94 Q HN 0.409 nan 8.270 nan 0.000 0.486 95 N N 0.130 118.829 118.700 -0.002 0.000 2.387 95 N HA 0.058 4.386 4.740 -0.688 0.000 0.259 95 N C -1.181 174.289 175.510 -0.067 0.000 1.369 95 N CA -0.030 53.003 53.050 -0.029 0.000 0.867 95 N CB 0.603 39.061 38.487 -0.048 0.000 1.341 95 N HN -0.139 nan 8.380 nan 0.000 0.495 96 R N 0.331 120.813 120.500 -0.030 0.000 2.574 96 R HA 0.348 4.275 4.340 -0.688 0.000 0.288 96 R C -0.212 176.149 176.300 0.102 0.000 1.004 96 R CA -0.501 55.582 56.100 -0.027 0.000 0.895 96 R CB 1.270 31.494 30.300 -0.127 0.000 1.191 96 R HN 0.250 nan 8.270 nan 0.000 0.444 97 S N 1.802 117.577 115.700 0.125 0.000 2.617 97 S HA 0.193 4.251 4.470 -0.688 0.000 0.259 97 S C 1.395 176.103 174.600 0.181 0.000 1.301 97 S CA -0.749 57.526 58.200 0.126 0.000 0.984 97 S CB 0.691 63.932 63.200 0.067 0.000 0.954 97 S HN 0.649 nan 8.310 nan 0.000 0.572 98 L N 0.182 121.488 121.223 0.138 0.000 2.265 98 L HA -0.052 3.875 4.340 -0.688 0.000 0.215 98 L C 2.168 179.105 176.870 0.111 0.000 1.117 98 L CA 1.017 55.936 54.840 0.132 0.000 0.782 98 L CB -0.610 41.508 42.059 0.099 0.000 0.914 98 L HN 0.799 nan 8.230 nan 0.000 0.441 99 L N -0.792 120.464 121.223 0.055 0.000 2.093 99 L HA -0.215 3.712 4.340 -0.688 0.000 0.208 99 L C 2.218 179.123 176.870 0.059 0.000 1.085 99 L CA 1.605 56.397 54.840 -0.080 0.000 0.755 99 L CB -0.811 41.044 42.059 -0.341 0.000 0.904 99 L HN 0.176 nan 8.230 nan 0.000 0.435 100 F N -0.192 119.827 119.950 0.116 0.000 2.095 100 F HA -0.290 3.853 4.527 -0.639 0.000 0.298 100 F C 2.461 178.507 175.800 0.411 0.000 1.104 100 F CA 2.335 60.613 58.000 0.464 0.000 1.232 100 F CB -0.474 38.758 39.000 0.387 0.000 0.987 100 F HN 0.223 nan 8.300 nan 0.000 0.475 101 M N 0.390 120.067 119.600 0.129 0.000 2.065 101 M HA -0.254 3.813 4.480 -0.688 0.000 0.259 101 M C 2.223 178.478 176.300 -0.075 0.000 1.069 101 M CA 2.126 57.396 55.300 -0.049 0.000 1.110 101 M CB -1.073 31.564 32.600 0.061 0.000 1.328 101 M HN 0.381 nan 8.290 nan 0.000 0.405 102 Q N -0.332 119.465 119.800 -0.004 0.000 2.224 102 Q HA -0.194 3.734 4.340 -0.688 0.000 0.203 102 Q C 1.807 177.758 176.000 -0.081 0.000 0.970 102 Q CA 1.862 57.633 55.803 -0.052 0.000 0.865 102 Q CB -0.752 27.977 28.738 -0.016 0.000 0.922 102 Q HN 0.721 nan 8.270 nan 0.000 0.445 103 W N -0.346 120.833 121.300 -0.201 0.000 2.453 103 W HA 0.023 4.313 4.660 -0.616 0.000 0.289 103 W C 1.535 177.783 176.519 -0.451 0.000 1.215 103 W CA 1.224 58.413 57.345 -0.260 0.000 1.297 103 W CB -0.291 29.148 29.460 -0.035 0.000 1.113 103 W HN 0.301 nan 8.180 nan 0.000 0.551 104 G N 0.762 109.309 108.800 -0.421 0.000 2.442 104 G HA2 -0.392 3.155 3.960 -0.688 0.000 0.219 104 G HA3 -0.392 3.155 3.960 -0.688 0.000 0.219 104 G C 1.407 175.879 174.900 -0.714 0.000 1.141 104 G CA 1.274 46.068 45.100 -0.510 0.000 0.763 104 G HN 0.438 nan 8.290 nan 0.000 0.554 105 Q N -0.359 119.087 119.800 -0.590 0.000 2.119 105 Q HA 0.022 3.949 4.340 -0.688 0.000 0.201 105 Q C 2.483 178.094 176.000 -0.648 0.000 0.972 105 Q CA 0.861 56.286 55.803 -0.631 0.000 0.847 105 Q CB -0.181 28.249 28.738 -0.512 0.000 0.903 105 Q HN 0.548 nan 8.270 nan 0.000 0.433 106 I N -0.379 119.819 120.570 -0.619 0.000 2.202 106 I HA -0.259 3.499 4.170 -0.688 0.000 0.242 106 I C 2.136 177.940 176.117 -0.520 0.000 1.091 106 I CA 0.672 61.606 61.300 -0.610 0.000 1.368 106 I CB -0.061 37.493 38.000 -0.743 0.000 1.058 106 I HN 0.093 nan 8.210 nan 0.000 0.410 107 V N 0.716 120.248 119.914 -0.637 0.000 2.255 107 V HA -0.386 3.321 4.120 -0.688 0.000 0.247 107 V C 2.163 178.323 176.094 0.111 0.000 1.051 107 V CA 2.503 64.684 62.300 -0.199 0.000 1.018 107 V CB -0.708 31.114 31.823 -0.002 0.000 0.641 107 V HN 0.498 nan 8.190 nan 0.000 0.445 108 D N -0.894 119.451 120.400 -0.092 0.000 2.116 108 D HA -0.246 3.981 4.640 -0.688 0.000 0.193 108 D C 2.089 178.462 176.300 0.122 0.000 0.998 108 D CA 1.864 55.816 54.000 -0.080 0.000 0.836 108 D CB -0.224 40.168 40.800 -0.681 0.000 0.951 108 D HN 0.639 nan 8.370 nan 0.000 0.449 109 H N -0.973 118.018 119.070 -0.133 0.000 2.491 109 H HA -0.090 4.060 4.556 -0.676 0.000 0.290 109 H C 1.383 176.705 175.328 -0.010 0.000 1.050 109 H CA 0.871 56.871 56.048 -0.079 0.000 1.309 109 H CB 0.293 29.985 29.762 -0.117 0.000 1.392 109 H HN 0.286 nan 8.280 nan 0.000 0.554 110 D N 0.534 121.012 120.400 0.130 0.000 2.194 110 D HA -0.069 4.158 4.640 -0.688 0.000 0.204 110 D C 2.060 178.462 176.300 0.171 0.000 0.964 110 D CA 0.414 54.493 54.000 0.131 0.000 0.846 110 D CB 0.390 41.263 40.800 0.122 0.000 0.962 110 D HN 0.362 nan 8.370 nan 0.000 0.490 111 L N 0.140 121.490 121.223 0.212 0.000 2.168 111 L HA 0.103 4.030 4.340 -0.688 0.000 0.203 111 L C 0.390 177.361 176.870 0.169 0.000 1.078 111 L CA 0.555 55.519 54.840 0.206 0.000 0.780 111 L CB 0.058 42.290 42.059 0.288 0.000 0.939 111 L HN 0.011 nan 8.230 nan 0.000 0.451 112 D N -1.340 119.171 120.400 0.185 0.000 2.977 112 D HA 0.282 4.509 4.640 -0.688 0.000 0.220 112 D C -1.512 174.896 176.300 0.180 0.000 1.267 112 D CA -0.348 53.745 54.000 0.155 0.000 0.884 112 D CB 2.679 43.571 40.800 0.154 0.000 1.667 112 D HN -0.171 nan 8.370 nan 0.000 0.536 113 F N 1.537 121.468 119.950 -0.032 0.000 2.831 113 F HA 0.568 4.675 4.527 -0.701 0.000 0.346 113 F C -1.637 174.144 175.800 -0.032 0.000 1.224 113 F CA -0.737 57.221 58.000 -0.069 0.000 1.048 113 F CB 1.697 40.635 39.000 -0.102 0.000 1.339 113 F HN 0.585 nan 8.300 nan 0.000 0.514 114 A N 7.620 130.180 122.820 -0.433 0.000 2.341 114 A HA 0.732 4.639 4.320 -0.688 0.000 0.326 114 A C -2.681 174.491 177.584 -0.687 0.000 1.402 114 A CA -1.435 50.357 52.037 -0.408 0.000 0.957 114 A CB -0.374 18.610 19.000 -0.027 0.000 1.151 114 A HN 0.470 nan 8.150 nan 0.000 0.533 115 P HA 0.278 nan 4.420 nan 0.000 0.274 115 P C -0.097 177.033 177.300 -0.284 0.000 1.237 115 P CA -0.306 62.387 63.100 -0.678 0.000 0.793 115 P CB 0.700 32.116 31.700 -0.474 0.000 0.977 116 E N -0.360 119.727 120.200 -0.188 0.000 2.345 116 E HA 0.213 4.150 4.350 -0.688 0.000 0.259 116 E C -0.053 176.496 176.600 -0.086 0.000 1.117 116 E CA -0.449 55.887 56.400 -0.106 0.000 0.913 116 E CB 0.377 30.005 29.700 -0.120 0.000 1.057 116 E HN 0.451 nan 8.360 nan 0.000 0.432 117 T N -0.851 113.697 114.554 -0.010 0.000 2.738 117 T HA 0.048 3.985 4.350 -0.688 0.000 0.293 117 T C 0.700 175.359 174.700 -0.069 0.000 0.913 117 T CA -0.381 61.719 62.100 0.000 0.000 1.103 117 T CB 1.095 70.038 68.868 0.124 0.000 0.880 117 T HN 0.525 nan 8.240 nan 0.000 0.526 118 E N 2.478 122.617 120.200 -0.101 0.000 2.002 118 E HA -0.040 3.897 4.350 -0.688 0.000 0.196 118 E C 0.452 176.990 176.600 -0.104 0.000 0.974 118 E CA 0.219 56.538 56.400 -0.135 0.000 0.853 118 E CB -0.133 29.500 29.700 -0.113 0.000 0.808 118 E HN 0.611 nan 8.360 nan 0.000 0.492 119 L N -0.062 121.122 121.223 -0.066 0.000 3.936 119 L HA -0.239 3.688 4.340 -0.688 0.000 0.453 119 L C 0.185 177.030 176.870 -0.043 0.000 1.158 119 L CA 1.206 56.025 54.840 -0.034 0.000 0.831 119 L CB -1.464 40.601 42.059 0.010 0.000 1.746 119 L HN 0.390 nan 8.230 nan 0.000 0.912 120 G N -0.744 108.005 108.800 -0.085 0.000 4.412 120 G HA2 0.533 4.080 3.960 -0.688 0.000 0.262 120 G HA3 0.533 4.080 3.960 -0.688 0.000 0.262 120 G C -0.373 174.456 174.900 -0.118 0.000 1.142 120 G CA 0.353 45.383 45.100 -0.117 0.000 0.783 120 G HN 0.340 nan 8.290 nan 0.000 0.533 121 S N -0.552 115.097 115.700 -0.085 0.000 2.707 121 S HA 0.655 4.712 4.470 -0.688 0.000 0.303 121 S C 0.168 174.729 174.600 -0.064 0.000 1.132 121 S CA -0.234 57.918 58.200 -0.079 0.000 1.046 121 S CB 1.760 64.921 63.200 -0.065 0.000 1.004 121 S HN 1.333 nan 8.310 nan 0.000 0.483 122 S N 0.612 116.266 115.700 -0.078 0.000 3.625 122 S HA -0.170 3.887 4.470 -0.688 0.000 0.426 122 S C -0.359 174.197 174.600 -0.073 0.000 0.884 122 S CA 1.074 59.231 58.200 -0.071 0.000 1.322 122 S CB -1.087 62.094 63.200 -0.031 0.000 0.905 122 S HN 1.062 nan 8.310 nan 0.000 0.586 123 E N 0.219 120.329 120.200 -0.150 0.000 2.393 123 E HA 0.694 4.632 4.350 -0.688 0.000 0.273 123 E C -0.414 176.031 176.600 -0.259 0.000 0.918 123 E CA -0.691 55.644 56.400 -0.108 0.000 0.773 123 E CB 1.061 30.727 29.700 -0.057 0.000 1.275 123 E HN 0.473 nan 8.360 nan 0.000 0.451 124 H N 0.713 119.819 119.070 0.060 0.000 2.767 124 H HA 0.340 4.484 4.556 -0.687 0.000 0.260 124 H C 0.603 176.005 175.328 0.122 0.000 1.172 124 H CA 0.146 56.246 56.048 0.088 0.000 1.048 124 H CB 1.013 30.821 29.762 0.077 0.000 1.697 124 H HN 0.312 nan 8.280 nan 0.000 0.606 125 S N 0.309 116.132 115.700 0.204 0.000 2.387 125 S HA -0.094 3.964 4.470 -0.688 0.000 0.226 125 S C 1.828 176.622 174.600 0.323 0.000 1.026 125 S CA 0.957 59.300 58.200 0.239 0.000 0.972 125 S CB 0.135 63.484 63.200 0.248 0.000 0.814 125 S HN 0.406 nan 8.310 nan 0.000 0.477 126 K N 0.825 121.405 120.400 0.300 0.000 2.147 126 K HA -0.031 3.876 4.320 -0.688 0.000 0.205 126 K C 1.935 178.703 176.600 0.281 0.000 1.049 126 K CA 1.014 57.524 56.287 0.372 0.000 0.936 126 K CB -0.289 32.277 32.500 0.109 0.000 0.722 126 K HN 0.163 nan 8.250 nan 0.000 0.446 127 V N 1.193 121.242 119.914 0.225 0.000 2.244 127 V HA -0.257 3.450 4.120 -0.688 0.000 0.244 127 V C 2.332 178.599 176.094 0.289 0.000 1.042 127 V CA 1.828 64.272 62.300 0.240 0.000 1.006 127 V CB -0.484 31.552 31.823 0.355 0.000 0.641 127 V HN 0.276 nan 8.190 nan 0.000 0.446 128 Q N -1.156 118.844 119.800 0.334 0.000 2.297 128 Q HA -0.208 3.719 4.340 -0.688 0.000 0.208 128 Q C 2.070 178.200 176.000 0.218 0.000 0.981 128 Q CA 2.074 58.079 55.803 0.336 0.000 0.876 128 Q CB -0.563 28.291 28.738 0.193 0.000 0.921 128 Q HN 0.713 nan 8.270 nan 0.000 0.446 129 c N -0.990 117.713 118.600 0.171 0.000 2.602 129 c HA 0.073 4.231 4.570 -0.688 0.000 0.282 129 c C 2.325 176.440 174.090 0.042 0.000 1.313 129 c CA 0.177 56.539 56.329 0.055 0.000 1.699 129 c CB -0.450 42.048 42.510 -0.020 0.000 2.124 129 c HN 0.544 nan 8.230 nan 0.000 0.509 130 E N 0.727 120.987 120.200 0.101 0.000 2.007 130 E HA -0.158 3.779 4.350 -0.688 0.000 0.194 130 E C 2.153 178.702 176.600 -0.084 0.000 0.999 130 E CA 1.419 57.830 56.400 0.019 0.000 0.811 130 E CB -0.338 29.410 29.700 0.079 0.000 0.762 130 E HN 0.683 nan 8.360 nan 0.000 0.450 131 E N -0.253 119.850 120.200 -0.161 0.000 2.046 131 E HA -0.139 3.798 4.350 -0.688 0.000 0.190 131 E C 1.806 178.124 176.600 -0.472 0.000 0.982 131 E CA 1.024 57.164 56.400 -0.433 0.000 0.800 131 E CB -0.258 28.963 29.700 -0.797 0.000 0.756 131 E HN 0.440 nan 8.360 nan 0.000 0.449 132 Y N -0.653 119.648 120.300 0.001 0.000 2.467 132 Y HA 0.220 4.357 4.550 -0.688 0.000 0.250 132 Y C 0.785 176.660 175.900 -0.041 0.000 1.155 132 Y CA -0.556 57.536 58.100 -0.014 0.000 1.249 132 Y CB -0.122 38.335 38.460 -0.005 0.000 1.146 132 Y HN -0.016 nan 8.280 nan 0.000 0.524 133 c N 0.809 119.431 118.600 0.037 0.000 4.274 133 c HA -0.168 3.989 4.570 -0.688 0.000 0.297 133 c C 0.572 174.634 174.090 -0.047 0.000 1.446 133 c CA -0.631 55.672 56.329 -0.043 0.000 2.016 133 c CB -3.157 39.300 42.510 -0.087 0.000 1.273 133 c HN 0.202 nan 8.230 nan 0.000 0.782 134 V N 1.519 121.432 119.914 -0.002 0.000 2.389 134 V HA 0.165 3.872 4.120 -0.688 0.000 0.264 134 V C 0.704 176.748 176.094 -0.083 0.000 1.049 134 V CA 0.512 62.793 62.300 -0.032 0.000 0.932 134 V CB 1.299 33.127 31.823 0.008 0.000 1.011 134 V HN 0.613 nan 8.190 nan 0.000 0.475 135 Q N 3.229 122.930 119.800 -0.166 0.000 2.286 135 Q HA 0.318 4.245 4.340 -0.688 0.000 0.290 135 Q C 0.716 176.620 176.000 -0.159 0.000 1.049 135 Q CA 0.957 56.586 55.803 -0.291 0.000 0.923 135 Q CB 0.715 29.111 28.738 -0.569 0.000 1.183 135 Q HN 0.933 nan 8.270 nan 0.000 0.383 136 G N 2.996 111.791 108.800 -0.008 0.000 3.009 136 G HA2 0.058 3.605 3.960 -0.688 0.000 0.193 136 G HA3 0.058 3.605 3.960 -0.688 0.000 0.193 136 G C -0.124 174.965 174.900 0.314 0.000 1.636 136 G CA 0.227 45.412 45.100 0.141 0.000 0.832 136 G HN 0.666 nan 8.290 nan 0.000 0.795 137 D N -0.522 120.020 120.400 0.236 0.000 3.105 137 D HA 0.099 4.327 4.640 -0.688 0.000 0.291 137 D C 1.802 178.256 176.300 0.256 0.000 1.218 137 D CA 0.387 54.496 54.000 0.183 0.000 1.029 137 D CB 0.761 41.636 40.800 0.125 0.000 1.207 137 D HN 0.142 nan 8.370 nan 0.000 0.437 138 E N 0.291 120.645 120.200 0.257 0.000 2.431 138 E HA 0.050 3.987 4.350 -0.688 0.000 0.200 138 E C 0.500 177.222 176.600 0.204 0.000 0.995 138 E CA -0.076 56.503 56.400 0.298 0.000 0.915 138 E CB 0.169 30.086 29.700 0.362 0.000 0.930 138 E HN 0.056 nan 8.360 nan 0.000 0.496 139 c N 2.504 121.131 118.600 0.044 0.000 2.520 139 c HA 0.215 4.372 4.570 -0.688 0.000 0.369 139 c C -0.247 173.904 174.090 0.101 0.000 1.244 139 c CA -0.447 55.758 56.329 -0.206 0.000 1.677 139 c CB -1.842 40.513 42.510 -0.259 0.000 2.324 139 c HN 0.108 nan 8.230 nan 0.000 0.557 140 F N 9.508 129.472 119.950 0.023 0.000 2.449 140 F HA 0.485 4.598 4.527 -0.690 0.000 0.344 140 F C -2.422 173.360 175.800 -0.031 0.000 1.180 140 F CA -3.405 54.640 58.000 0.076 0.000 1.209 140 F CB 0.424 39.652 39.000 0.381 0.000 1.440 140 F HN 0.441 nan 8.300 nan 0.000 0.526 141 P HA 0.207 nan 4.420 nan 0.000 0.272 141 P C -0.330 176.685 177.300 -0.474 0.000 1.223 141 P CA 0.082 63.019 63.100 -0.271 0.000 0.784 141 P CB 1.041 32.599 31.700 -0.236 0.000 0.923 142 I N 2.899 123.199 120.570 -0.451 0.000 2.287 142 I HA 0.182 3.939 4.170 -0.688 0.000 0.290 142 I C 0.461 176.263 176.117 -0.524 0.000 1.069 142 I CA -0.388 60.615 61.300 -0.494 0.000 1.237 142 I CB 0.166 37.910 38.000 -0.425 0.000 1.418 142 I HN 0.106 nan 8.210 nan 0.000 0.481 143 M N 5.524 124.874 119.600 -0.416 0.000 2.242 143 M HA 0.321 4.388 4.480 -0.688 0.000 0.344 143 M C -0.275 175.840 176.300 -0.309 0.000 1.140 143 M CA -0.044 55.035 55.300 -0.369 0.000 1.160 143 M CB 0.145 32.618 32.600 -0.212 0.000 1.491 143 M HN 0.249 nan 8.290 nan 0.000 0.459 144 F N 3.892 123.776 119.950 -0.111 0.000 2.410 144 F HA 0.283 4.397 4.527 -0.689 0.000 0.348 144 F C -1.246 174.507 175.800 -0.078 0.000 1.106 144 F CA -1.531 56.412 58.000 -0.096 0.000 1.163 144 F CB 0.635 39.580 39.000 -0.092 0.000 1.129 144 F HN 0.396 nan 8.300 nan 0.000 0.516 145 P HA -0.027 nan 4.420 nan 0.000 0.275 145 P C -0.748 176.576 177.300 0.040 0.000 1.270 145 P CA -0.594 62.537 63.100 0.053 0.000 0.791 145 P CB 0.663 32.380 31.700 0.029 0.000 1.089 146 K N 1.242 121.649 120.400 0.012 0.000 2.416 146 K HA -0.026 3.881 4.320 -0.688 0.000 0.283 146 K C 0.257 176.849 176.600 -0.013 0.000 1.037 146 K CA 0.479 56.765 56.287 -0.001 0.000 0.995 146 K CB -0.971 31.526 32.500 -0.005 0.000 0.938 146 K HN 0.517 nan 8.250 nan 0.000 0.475 147 N N 1.858 120.543 118.700 -0.025 0.000 2.782 147 N HA -0.222 4.105 4.740 -0.688 0.000 0.251 147 N C -0.713 174.759 175.510 -0.063 0.000 1.101 147 N CA 0.662 53.687 53.050 -0.041 0.000 0.764 147 N CB -0.572 37.897 38.487 -0.030 0.000 1.122 147 N HN 0.644 nan 8.380 nan 0.000 0.561 148 D N 0.585 120.936 120.400 -0.082 0.000 2.383 148 D HA 0.082 4.309 4.640 -0.688 0.000 0.252 148 D C -1.338 174.828 176.300 -0.224 0.000 1.166 148 D CA -1.778 52.137 54.000 -0.142 0.000 0.879 148 D CB 1.140 41.849 40.800 -0.151 0.000 1.164 148 D HN 0.025 nan 8.370 nan 0.000 0.462 149 P HA -0.083 nan 4.420 nan 0.000 0.220 149 P C 0.901 178.032 177.300 -0.282 0.000 1.148 149 P CA 1.026 64.012 63.100 -0.190 0.000 0.803 149 P CB 0.288 31.906 31.700 -0.137 0.000 0.782 150 K N -0.759 119.361 120.400 -0.467 0.000 2.362 150 K HA -0.021 3.886 4.320 -0.688 0.000 0.200 150 K C 1.865 178.049 176.600 -0.694 0.000 1.046 150 K CA 0.565 56.461 56.287 -0.652 0.000 0.952 150 K CB -0.504 31.410 32.500 -0.976 0.000 0.753 150 K HN 0.202 nan 8.250 nan 0.000 0.466 151 L N 0.749 121.618 121.223 -0.590 0.000 2.083 151 L HA -0.221 3.707 4.340 -0.688 0.000 0.209 151 L C 1.998 178.771 176.870 -0.162 0.000 1.083 151 L CA 1.482 56.146 54.840 -0.292 0.000 0.752 151 L CB -0.157 41.803 42.059 -0.164 0.000 0.899 151 L HN 0.115 nan 8.230 nan 0.000 0.433 152 K N -1.779 118.526 120.400 -0.158 0.000 2.296 152 K HA -0.076 3.831 4.320 -0.688 0.000 0.200 152 K C 1.813 178.362 176.600 -0.085 0.000 1.048 152 K CA 1.209 57.437 56.287 -0.099 0.000 0.966 152 K CB 0.131 32.578 32.500 -0.089 0.000 0.754 152 K HN 0.119 nan 8.250 nan 0.000 0.466 153 T N -0.822 113.666 114.554 -0.111 0.000 2.964 153 T HA 0.122 4.059 4.350 -0.688 0.000 0.250 153 T C 1.290 175.951 174.700 -0.065 0.000 0.982 153 T CA 0.177 62.230 62.100 -0.080 0.000 0.959 153 T CB 0.453 69.272 68.868 -0.082 0.000 1.141 153 T HN 0.065 nan 8.240 nan 0.000 0.494 154 Q N -0.588 119.159 119.800 -0.089 0.000 2.606 154 Q HA 0.497 4.424 4.340 -0.688 0.000 0.215 154 Q C 0.961 176.964 176.000 0.005 0.000 0.908 154 Q CA 0.405 56.184 55.803 -0.041 0.000 0.908 154 Q CB 1.359 30.073 28.738 -0.040 0.000 1.120 154 Q HN 0.473 nan 8.270 nan 0.000 0.628 155 G N -0.319 108.512 108.800 0.052 0.000 2.404 155 G HA2 0.057 3.604 3.960 -0.688 0.000 0.253 155 G HA3 0.057 3.604 3.960 -0.688 0.000 0.253 155 G C -0.907 174.133 174.900 0.233 0.000 1.253 155 G CA -0.541 44.616 45.100 0.096 0.000 0.917 155 G HN -0.094 nan 8.290 nan 0.000 0.480 156 K N -0.807 119.690 120.400 0.162 0.000 2.354 156 K HA 0.334 4.241 4.320 -0.688 0.000 0.194 156 K C 0.466 177.043 176.600 -0.038 0.000 1.045 156 K CA 0.999 57.383 56.287 0.163 0.000 1.026 156 K CB 0.507 33.028 32.500 0.034 0.000 0.866 156 K HN 0.860 nan 8.250 nan 0.000 0.530 157 c N -1.895 116.523 118.600 -0.303 0.000 3.295 157 c HA 0.566 4.723 4.570 -0.688 0.000 0.341 157 c C -1.295 172.369 174.090 -0.710 0.000 1.418 157 c CA -1.376 54.473 56.329 -0.799 0.000 1.240 157 c CB 0.752 42.991 42.510 -0.451 0.000 1.562 157 c HN 0.026 nan 8.230 nan 0.000 0.457 158 M N 3.083 122.242 119.600 -0.735 0.000 2.300 158 M HA 0.496 4.563 4.480 -0.688 0.000 0.348 158 M C -2.348 173.796 176.300 -0.260 0.000 1.151 158 M CA -1.467 53.514 55.300 -0.531 0.000 1.046 158 M CB 1.909 34.189 32.600 -0.533 0.000 1.647 158 M HN 0.591 nan 8.290 nan 0.000 0.451 159 P HA 0.206 nan 4.420 nan 0.000 0.271 159 P C -1.334 176.131 177.300 0.275 0.000 1.218 159 P CA 0.096 63.212 63.100 0.028 0.000 0.780 159 P CB 0.576 32.299 31.700 0.039 0.000 0.901 160 F N 2.793 122.747 119.950 0.008 0.000 2.623 160 F HA 0.485 4.597 4.527 -0.691 0.000 0.323 160 F C -2.081 173.733 175.800 0.022 0.000 1.158 160 F CA -0.914 57.147 58.000 0.102 0.000 1.030 160 F CB 0.956 39.947 39.000 -0.014 0.000 1.280 160 F HN 0.051 nan 8.300 nan 0.000 0.474 161 F N 5.085 124.908 119.950 -0.212 0.000 2.469 161 F HA 0.613 4.726 4.527 -0.690 0.000 0.332 161 F C 0.569 176.289 175.800 -0.132 0.000 1.103 161 F CA -0.743 57.239 58.000 -0.030 0.000 0.979 161 F CB 1.575 40.560 39.000 -0.025 0.000 1.137 161 F HN 0.320 nan 8.300 nan 0.000 0.463 162 R N 1.431 122.134 120.500 0.337 0.000 2.694 162 R HA 0.469 4.397 4.340 -0.688 0.000 0.268 162 R C 0.072 176.515 176.300 0.237 0.000 1.061 162 R CA -0.383 55.939 56.100 0.370 0.000 1.133 162 R CB 0.461 30.996 30.300 0.391 0.000 1.020 162 R HN 0.766 nan 8.270 nan 0.000 0.475 163 A N 1.552 124.513 122.820 0.235 0.000 2.448 163 A HA 0.318 4.225 4.320 -0.688 0.000 0.239 163 A C 0.599 178.277 177.584 0.155 0.000 1.080 163 A CA 0.136 52.259 52.037 0.143 0.000 0.779 163 A CB 0.189 19.277 19.000 0.147 0.000 1.026 163 A HN 0.778 nan 8.150 nan 0.000 0.499 164 G N -0.528 108.294 108.800 0.038 0.000 2.527 164 G HA2 0.508 4.055 3.960 -0.688 0.000 0.248 164 G HA3 0.508 4.055 3.960 -0.688 0.000 0.248 164 G C -0.361 174.569 174.900 0.051 0.000 1.231 164 G CA 0.074 45.157 45.100 -0.028 0.000 0.838 164 G HN 1.131 nan 8.290 nan 0.000 0.570 165 F N -0.560 119.346 119.950 -0.074 0.000 2.692 165 F HA 0.615 4.728 4.527 -0.691 0.000 0.320 165 F C 0.894 176.658 175.800 -0.061 0.000 1.123 165 F CA -0.827 57.126 58.000 -0.080 0.000 0.961 165 F CB 0.448 39.388 39.000 -0.101 0.000 1.383 165 F HN 0.463 nan 8.300 nan 0.000 0.483 166 V N -1.074 118.931 119.914 0.151 0.000 2.216 166 V HA -0.220 3.487 4.120 -0.688 0.000 0.242 166 V C 1.885 177.977 176.094 -0.003 0.000 1.042 166 V CA 1.844 64.171 62.300 0.044 0.000 0.991 166 V CB -1.611 30.253 31.823 0.067 0.000 0.633 166 V HN 1.027 nan 8.190 nan 0.000 0.449 167 c N 1.213 119.854 118.600 0.068 0.000 2.440 167 c HA 0.057 4.214 4.570 -0.688 0.000 0.282 167 c C 0.292 174.362 174.090 -0.033 0.000 1.223 167 c CA 1.922 58.264 56.329 0.021 0.000 1.744 167 c CB -2.150 40.388 42.510 0.045 0.000 2.061 167 c HN 0.737 nan 8.230 nan 0.000 0.456 168 P HA 0.387 nan 4.420 nan 0.000 0.314 168 P C -0.112 176.977 177.300 -0.353 0.000 1.246 168 P CA 0.804 63.829 63.100 -0.124 0.000 0.781 168 P CB 0.697 32.375 31.700 -0.036 0.000 1.921 169 T N -4.038 110.321 114.554 -0.326 0.000 3.123 169 T HA 0.250 4.187 4.350 -0.688 0.000 0.266 169 T C -2.487 172.131 174.700 -0.138 0.000 0.873 169 T CA 0.112 61.900 62.100 -0.520 0.000 0.854 169 T CB -1.111 67.528 68.868 -0.383 0.000 1.254 169 T HN 0.233 nan 8.240 nan 0.000 0.570 170 P HA 0.262 nan 4.420 nan 0.000 0.269 170 P C -2.063 175.372 177.300 0.226 0.000 1.263 170 P CA -0.799 62.364 63.100 0.105 0.000 0.813 170 P CB 0.699 32.432 31.700 0.056 0.000 0.868 171 P HA -0.132 nan 4.420 nan 0.000 0.201 171 P C -0.048 177.395 177.300 0.239 0.000 0.995 171 P CA 0.925 64.305 63.100 0.468 0.000 0.866 171 P CB -0.208 31.822 31.700 0.550 0.000 0.652 172 Y N 0.411 120.679 120.300 -0.054 0.000 2.573 172 Y HA 0.177 4.314 4.550 -0.688 0.000 0.346 172 Y C 1.368 177.223 175.900 -0.075 0.000 1.198 172 Y CA 0.098 58.121 58.100 -0.128 0.000 1.627 172 Y CB -0.366 37.993 38.460 -0.168 0.000 1.457 172 Y HN 0.131 nan 8.280 nan 0.000 0.483 173 Q N -0.193 119.598 119.800 -0.016 0.000 2.870 173 Q HA 0.223 4.150 4.340 -0.688 0.000 0.366 173 Q C 1.120 177.135 176.000 0.025 0.000 0.738 173 Q CA -0.216 55.603 55.803 0.026 0.000 0.870 173 Q CB 1.559 30.343 28.738 0.076 0.000 1.237 173 Q HN 0.515 nan 8.270 nan 0.000 0.497 174 S N -0.179 115.609 115.700 0.147 0.000 2.498 174 S HA -0.282 3.776 4.470 -0.688 0.000 0.391 174 S C 0.665 175.414 174.600 0.249 0.000 1.216 174 S CA 2.149 60.564 58.200 0.359 0.000 1.870 174 S CB -0.760 62.794 63.200 0.590 0.000 1.585 174 S HN 0.481 nan 8.310 nan 0.000 0.491 175 L N -0.038 121.292 121.223 0.179 0.000 2.267 175 L HA 0.689 4.617 4.340 -0.688 0.000 0.264 175 L C 0.033 176.881 176.870 -0.036 0.000 1.021 175 L CA -0.647 54.256 54.840 0.105 0.000 0.861 175 L CB 1.394 43.564 42.059 0.186 0.000 1.443 175 L HN 0.428 nan 8.230 nan 0.000 0.475 176 A N 1.359 124.169 122.820 -0.017 0.000 2.450 176 A HA 0.220 4.127 4.320 -0.688 0.000 0.255 176 A C 0.041 177.596 177.584 -0.049 0.000 1.096 176 A CA -0.107 51.906 52.037 -0.040 0.000 0.778 176 A CB -0.004 19.036 19.000 0.068 0.000 1.031 176 A HN 0.712 nan 8.150 nan 0.000 0.494 177 R N 1.923 122.299 120.500 -0.207 0.000 2.480 177 R HA 0.109 4.036 4.340 -0.688 0.000 0.303 177 R C -1.183 175.132 176.300 0.025 0.000 0.985 177 R CA 0.450 56.396 56.100 -0.256 0.000 1.051 177 R CB 0.078 29.969 30.300 -0.682 0.000 0.935 177 R HN 0.696 nan 8.270 nan 0.000 0.410 178 D N 3.267 123.688 120.400 0.035 0.000 2.256 178 D HA 0.192 4.420 4.640 -0.688 0.000 0.246 178 D C -0.616 175.725 176.300 0.068 0.000 1.042 178 D CA -0.540 53.505 54.000 0.074 0.000 0.841 178 D CB 1.893 42.740 40.800 0.079 0.000 1.223 178 D HN 0.397 nan 8.370 nan 0.000 0.470 179 Q N 0.608 120.412 119.800 0.006 0.000 2.260 179 Q HA 0.508 4.435 4.340 -0.688 0.000 0.242 179 Q C -0.129 175.868 176.000 -0.004 0.000 0.932 179 Q CA -0.347 55.428 55.803 -0.045 0.000 0.891 179 Q CB 1.562 30.123 28.738 -0.295 0.000 1.222 179 Q HN 0.398 nan 8.270 nan 0.000 0.453 180 I N 1.655 122.211 120.570 -0.023 0.000 2.428 180 I HA 0.125 3.883 4.170 -0.688 0.000 0.289 180 I C 0.099 176.193 176.117 -0.038 0.000 1.019 180 I CA -0.434 60.849 61.300 -0.029 0.000 1.351 180 I CB 0.749 38.713 38.000 -0.059 0.000 1.412 180 I HN 0.468 nan 8.210 nan 0.000 0.513 181 N N 5.098 123.794 118.700 -0.008 0.000 2.589 181 N HA 0.296 4.623 4.740 -0.688 0.000 0.232 181 N C 0.420 175.947 175.510 0.028 0.000 1.015 181 N CA -0.290 52.764 53.050 0.007 0.000 0.931 181 N CB 1.463 39.966 38.487 0.026 0.000 1.150 181 N HN 0.701 nan 8.380 nan 0.000 0.512 182 A N 2.463 125.301 122.820 0.030 0.000 2.239 182 A HA 0.085 3.992 4.320 -0.688 0.000 0.209 182 A C 0.809 178.482 177.584 0.149 0.000 1.171 182 A CA 0.678 52.770 52.037 0.093 0.000 0.768 182 A CB -0.395 18.683 19.000 0.130 0.000 0.790 182 A HN 0.494 nan 8.150 nan 0.000 0.478 183 V N -3.573 116.427 119.914 0.145 0.000 3.158 183 V HA 0.758 4.465 4.120 -0.688 0.000 0.315 183 V C 0.095 176.257 176.094 0.114 0.000 1.148 183 V CA -0.275 62.106 62.300 0.135 0.000 1.042 183 V CB 1.052 32.957 31.823 0.138 0.000 1.101 183 V HN 0.367 nan 8.190 nan 0.000 0.448 184 T N -0.504 114.132 114.554 0.137 0.000 2.884 184 T HA 0.277 4.214 4.350 -0.688 0.000 0.298 184 T C 0.984 175.732 174.700 0.080 0.000 0.998 184 T CA 0.421 62.613 62.100 0.154 0.000 1.124 184 T CB 0.961 69.993 68.868 0.273 0.000 0.931 184 T HN 0.836 nan 8.240 nan 0.000 0.531 185 S N 1.664 117.299 115.700 -0.107 0.000 2.423 185 S HA 0.108 4.166 4.470 -0.688 0.000 0.231 185 S C 0.389 174.867 174.600 -0.204 0.000 1.014 185 S CA 0.341 58.395 58.200 -0.242 0.000 0.965 185 S CB -0.535 62.406 63.200 -0.432 0.000 0.785 185 S HN 0.697 nan 8.310 nan 0.000 0.495 186 F N 1.228 121.279 119.950 0.169 0.000 2.496 186 F HA 0.227 4.343 4.527 -0.686 0.000 0.344 186 F C 0.695 176.647 175.800 0.255 0.000 1.155 186 F CA -0.616 57.519 58.000 0.225 0.000 1.302 186 F CB 0.233 39.373 39.000 0.233 0.000 1.159 186 F HN -0.022 nan 8.300 nan 0.000 0.595 187 L N 3.416 124.953 121.223 0.523 0.000 2.387 187 L HA 0.151 4.078 4.340 -0.688 0.000 0.267 187 L C -0.322 176.786 176.870 0.397 0.000 1.197 187 L CA -0.029 55.088 54.840 0.460 0.000 1.070 187 L CB -0.568 41.846 42.059 0.592 0.000 1.349 187 L HN 0.733 nan 8.230 nan 0.000 0.422 188 D N 2.043 122.642 120.400 0.333 0.000 2.740 188 D HA 0.155 4.382 4.640 -0.688 0.000 0.301 188 D C 0.739 177.190 176.300 0.253 0.000 1.408 188 D CA 0.066 54.230 54.000 0.273 0.000 0.808 188 D CB 0.608 41.561 40.800 0.255 0.000 1.128 188 D HN 0.299 nan 8.370 nan 0.000 0.465 189 A N 0.699 123.667 122.820 0.247 0.000 2.799 189 A HA -0.277 3.631 4.320 -0.688 0.000 0.287 189 A C 1.829 179.552 177.584 0.233 0.000 1.484 189 A CA 1.286 53.463 52.037 0.233 0.000 0.813 189 A CB -2.515 16.685 19.000 0.335 0.000 1.009 189 A HN 0.777 nan 8.150 nan 0.000 0.545 190 S N -0.497 115.327 115.700 0.206 0.000 2.447 190 S HA -0.075 3.982 4.470 -0.688 0.000 0.233 190 S C 1.752 176.422 174.600 0.118 0.000 1.006 190 S CA 1.180 59.494 58.200 0.189 0.000 0.957 190 S CB -0.818 62.489 63.200 0.179 0.000 0.773 190 S HN 1.746 nan 8.310 nan 0.000 0.507 191 L N -0.482 120.790 121.223 0.082 0.000 2.362 191 L HA 0.148 4.076 4.340 -0.688 0.000 0.219 191 L C 1.915 178.829 176.870 0.075 0.000 1.134 191 L CA 0.730 55.620 54.840 0.083 0.000 0.807 191 L CB -0.447 41.659 42.059 0.078 0.000 0.927 191 L HN 0.165 nan 8.230 nan 0.000 0.447 192 V N -0.721 119.146 119.914 -0.077 0.000 2.492 192 V HA -0.099 3.608 4.120 -0.688 0.000 0.241 192 V C 1.875 177.720 176.094 -0.416 0.000 1.041 192 V CA 1.245 63.355 62.300 -0.315 0.000 1.057 192 V CB -0.459 30.986 31.823 -0.629 0.000 0.711 192 V HN 0.389 nan 8.190 nan 0.000 0.468 193 Y N 0.667 120.998 120.300 0.052 0.000 2.478 193 Y HA 0.540 4.679 4.550 -0.686 0.000 0.261 193 Y C 1.325 177.263 175.900 0.063 0.000 1.127 193 Y CA 0.359 58.495 58.100 0.061 0.000 1.288 193 Y CB 0.017 38.517 38.460 0.066 0.000 1.084 193 Y HN 0.329 nan 8.280 nan 0.000 0.530 194 G N -0.460 108.428 108.800 0.147 0.000 2.619 194 G HA2 -0.126 3.421 3.960 -0.688 0.000 0.686 194 G HA3 -0.126 3.421 3.960 -0.688 0.000 0.686 194 G C 0.246 175.220 174.900 0.125 0.000 1.256 194 G CA -0.215 44.948 45.100 0.106 0.000 0.826 194 G HN 0.009 nan 8.290 nan 0.000 0.619 195 S N -0.022 115.736 115.700 0.098 0.000 2.603 195 S HA 0.283 4.340 4.470 -0.688 0.000 0.232 195 S C 0.450 175.104 174.600 0.089 0.000 1.016 195 S CA 0.401 58.665 58.200 0.106 0.000 0.976 195 S CB 0.498 63.764 63.200 0.110 0.000 0.921 195 S HN 0.574 nan 8.310 nan 0.000 0.516 196 E N 1.307 121.550 120.200 0.073 0.000 2.199 196 E HA 0.271 4.208 4.350 -0.688 0.000 0.269 196 E C -2.172 174.458 176.600 0.051 0.000 0.899 196 E CA -2.379 54.055 56.400 0.057 0.000 0.772 196 E CB 1.687 31.414 29.700 0.044 0.000 1.155 196 E HN -0.145 nan 8.360 nan 0.000 0.408 197 P HA -0.269 nan 4.420 nan 0.000 0.216 197 P C 1.323 178.634 177.300 0.019 0.000 1.153 197 P CA 1.547 64.667 63.100 0.033 0.000 0.858 197 P CB 0.214 31.930 31.700 0.026 0.000 0.789 198 S N -0.554 115.155 115.700 0.015 0.000 2.338 198 S HA -0.156 3.901 4.470 -0.688 0.000 0.218 198 S C 1.948 176.550 174.600 0.002 0.000 1.032 198 S CA 1.158 59.360 58.200 0.004 0.000 0.999 198 S CB -1.702 61.500 63.200 0.004 0.000 0.905 198 S HN 0.043 nan 8.310 nan 0.000 0.439 199 L N 2.362 123.592 121.223 0.011 0.000 2.083 199 L HA 0.128 4.055 4.340 -0.688 0.000 0.209 199 L C 2.640 179.519 176.870 0.014 0.000 1.083 199 L CA 1.725 56.571 54.840 0.009 0.000 0.752 199 L CB -1.104 40.963 42.059 0.014 0.000 0.899 199 L HN 0.389 nan 8.230 nan 0.000 0.433 200 A N -1.848 120.994 122.820 0.036 0.000 2.024 200 A HA -0.196 3.711 4.320 -0.688 0.000 0.220 200 A C 2.481 180.062 177.584 -0.004 0.000 1.164 200 A CA 1.947 54.022 52.037 0.064 0.000 0.643 200 A CB -0.757 18.308 19.000 0.108 0.000 0.806 200 A HN 0.521 nan 8.150 nan 0.000 0.451 201 S N -1.326 114.354 115.700 -0.034 0.000 2.404 201 S HA 0.003 4.060 4.470 -0.688 0.000 0.223 201 S C 2.066 176.623 174.600 -0.071 0.000 1.040 201 S CA 0.368 58.520 58.200 -0.080 0.000 0.957 201 S CB -0.197 62.968 63.200 -0.060 0.000 0.826 201 S HN 0.615 nan 8.310 nan 0.000 0.491 202 R N 0.408 120.883 120.500 -0.041 0.000 2.193 202 R HA 0.001 3.929 4.340 -0.688 0.000 0.229 202 R C 1.261 177.535 176.300 -0.042 0.000 1.110 202 R CA 0.783 56.861 56.100 -0.035 0.000 0.988 202 R CB -0.236 30.051 30.300 -0.021 0.000 0.871 202 R HN 0.279 nan 8.270 nan 0.000 0.458 203 L N 0.188 121.385 121.223 -0.043 0.000 2.492 203 L HA 0.053 3.980 4.340 -0.688 0.000 0.223 203 L C 0.730 177.559 176.870 -0.068 0.000 1.132 203 L CA 1.038 55.850 54.840 -0.047 0.000 0.850 203 L CB -0.317 41.728 42.059 -0.022 0.000 0.966 203 L HN -0.051 nan 8.230 nan 0.000 0.454 204 R N 0.017 120.456 120.500 -0.102 0.000 2.500 204 R HA 0.197 4.125 4.340 -0.688 0.000 0.277 204 R C 0.109 176.352 176.300 -0.096 0.000 1.026 204 R CA -0.565 55.448 56.100 -0.145 0.000 1.058 204 R CB 0.602 30.723 30.300 -0.299 0.000 1.078 204 R HN -0.109 nan 8.270 nan 0.000 0.509 205 N N 3.113 121.773 118.700 -0.067 0.000 2.521 205 N HA 0.076 4.403 4.740 -0.688 0.000 0.236 205 N C 0.137 175.624 175.510 -0.037 0.000 1.067 205 N CA 0.046 53.076 53.050 -0.034 0.000 0.939 205 N CB 0.576 39.063 38.487 -0.001 0.000 1.201 205 N HN 0.562 nan 8.380 nan 0.000 0.511 206 L N 1.441 122.636 121.223 -0.046 0.000 2.567 206 L HA 0.089 4.017 4.340 -0.688 0.000 0.225 206 L C 1.852 178.711 176.870 -0.019 0.000 1.119 206 L CA 0.052 54.864 54.840 -0.045 0.000 0.871 206 L CB 0.043 42.066 42.059 -0.059 0.000 1.036 206 L HN 0.379 nan 8.230 nan 0.000 0.459 207 S N 0.080 115.775 115.700 -0.009 0.000 2.343 207 S HA -0.101 3.957 4.470 -0.688 0.000 0.219 207 S C 1.170 175.775 174.600 0.008 0.000 1.033 207 S CA 1.179 59.380 58.200 0.002 0.000 1.014 207 S CB -0.121 63.084 63.200 0.008 0.000 0.915 207 S HN 0.579 nan 8.310 nan 0.000 0.435 208 S N 2.167 117.876 115.700 0.014 0.000 2.617 208 S HA 0.330 4.387 4.470 -0.688 0.000 0.269 208 S C -2.602 172.012 174.600 0.022 0.000 1.292 208 S CA -1.203 57.010 58.200 0.021 0.000 1.010 208 S CB 0.775 63.992 63.200 0.029 0.000 0.944 208 S HN 0.153 nan 8.310 nan 0.000 0.536 209 P HA 0.345 nan 4.420 nan 0.000 0.218 209 P C -0.020 177.311 177.300 0.050 0.000 1.826 209 P CA -0.205 62.916 63.100 0.035 0.000 0.946 209 P CB -0.274 31.448 31.700 0.036 0.000 1.728 210 L N -1.402 119.854 121.223 0.054 0.000 2.664 210 L HA 0.335 4.262 4.340 -0.688 0.000 0.233 210 L C 1.405 178.334 176.870 0.098 0.000 1.113 210 L CA 0.522 55.402 54.840 0.067 0.000 0.896 210 L CB -0.328 41.764 42.059 0.054 0.000 1.163 210 L HN 0.215 nan 8.230 nan 0.000 0.497 211 G N 1.453 110.322 108.800 0.114 0.000 2.176 211 G HA2 -0.263 3.284 3.960 -0.688 0.000 0.252 211 G HA3 -0.263 3.284 3.960 -0.688 0.000 0.252 211 G C 0.088 175.185 174.900 0.329 0.000 1.024 211 G CA 0.002 45.224 45.100 0.202 0.000 0.755 211 G HN 0.220 nan 8.290 nan 0.000 0.507 212 L N 0.187 121.539 121.223 0.215 0.000 2.399 212 L HA 0.578 4.505 4.340 -0.688 0.000 0.266 212 L C 1.280 178.226 176.870 0.128 0.000 1.114 212 L CA -1.177 53.805 54.840 0.237 0.000 0.804 212 L CB 0.644 42.782 42.059 0.131 0.000 1.146 212 L HN 0.031 nan 8.230 nan 0.000 0.451 213 M N 1.468 121.098 119.600 0.049 0.000 2.242 213 M HA 0.248 4.315 4.480 -0.688 0.000 0.344 213 M C 0.325 176.600 176.300 -0.042 0.000 1.140 213 M CA -0.281 54.980 55.300 -0.065 0.000 1.160 213 M CB 0.703 33.211 32.600 -0.154 0.000 1.491 213 M HN 0.687 nan 8.290 nan 0.000 0.459 214 A N 2.841 125.623 122.820 -0.064 0.000 2.498 214 A HA 0.473 4.380 4.320 -0.688 0.000 0.239 214 A C 0.096 177.615 177.584 -0.108 0.000 1.068 214 A CA -0.492 51.506 52.037 -0.066 0.000 0.766 214 A CB 0.046 19.007 19.000 -0.065 0.000 1.003 214 A HN 0.825 nan 8.150 nan 0.000 0.497 215 V N 0.862 120.703 119.914 -0.122 0.000 3.046 215 V HA 0.543 4.250 4.120 -0.688 0.000 0.316 215 V C 0.165 176.094 176.094 -0.275 0.000 1.104 215 V CA -1.399 60.762 62.300 -0.231 0.000 1.006 215 V CB 1.751 33.409 31.823 -0.274 0.000 1.058 215 V HN 0.873 nan 8.190 nan 0.000 0.440 216 N N 1.922 120.367 118.700 -0.426 0.000 2.492 216 N HA 0.134 4.461 4.740 -0.688 0.000 0.262 216 N C 0.373 175.658 175.510 -0.376 0.000 1.202 216 N CA 0.098 52.883 53.050 -0.441 0.000 0.926 216 N CB 1.401 39.542 38.487 -0.576 0.000 1.078 216 N HN 0.793 nan 8.380 nan 0.000 0.454 217 Q N 2.134 121.855 119.800 -0.132 0.000 2.281 217 Q HA 0.060 3.988 4.340 -0.688 0.000 0.215 217 Q C 0.591 176.686 176.000 0.159 0.000 0.867 217 Q CA 0.323 56.178 55.803 0.087 0.000 0.940 217 Q CB 0.430 29.235 28.738 0.110 0.000 1.111 217 Q HN 0.607 nan 8.270 nan 0.000 0.513 218 E N 1.002 121.265 120.200 0.105 0.000 2.170 218 E HA 0.137 4.074 4.350 -0.688 0.000 0.191 218 E C 0.012 176.753 176.600 0.236 0.000 0.981 218 E CA 0.627 57.155 56.400 0.213 0.000 0.830 218 E CB 0.503 30.430 29.700 0.379 0.000 0.775 218 E HN 0.245 nan 8.360 nan 0.000 0.470 219 A N -0.721 122.174 122.820 0.125 0.000 2.572 219 A HA 0.659 4.567 4.320 -0.688 0.000 0.295 219 A C -1.888 175.710 177.584 0.023 0.000 1.072 219 A CA -0.708 51.454 52.037 0.208 0.000 0.691 219 A CB 0.835 19.973 19.000 0.230 0.000 1.291 219 A HN 0.143 nan 8.150 nan 0.000 0.404 220 W N -0.168 121.264 121.300 0.220 0.000 3.083 220 W HA 0.554 4.804 4.660 -0.684 0.000 0.333 220 W C -1.057 175.393 176.519 -0.114 0.000 1.217 220 W CA 0.000 57.346 57.345 0.000 0.000 1.170 220 W CB 2.015 31.460 29.460 -0.026 0.000 1.437 220 W HN 0.651 nan 8.180 nan 0.000 0.557 221 D N 1.080 121.364 120.400 -0.195 0.000 2.460 221 D HA 0.186 4.413 4.640 -0.688 0.000 0.268 221 D C 0.014 176.257 176.300 -0.097 0.000 1.153 221 D CA -0.048 53.759 54.000 -0.322 0.000 0.929 221 D CB -0.374 40.034 40.800 -0.653 0.000 1.015 221 D HN 0.492 nan 8.370 nan 0.000 0.502 222 H N 1.924 121.073 119.070 0.133 0.000 2.692 222 H HA -0.177 3.966 4.556 -0.688 0.000 0.316 222 H C 1.326 176.748 175.328 0.157 0.000 1.176 222 H CA 1.192 57.322 56.048 0.135 0.000 1.142 222 H CB -1.485 28.364 29.762 0.145 0.000 1.475 222 H HN 0.744 nan 8.280 nan 0.000 0.423 223 G N -1.068 107.857 108.800 0.209 0.000 2.199 223 G HA2 -0.314 3.234 3.960 -0.688 0.000 0.254 223 G HA3 -0.314 3.234 3.960 -0.688 0.000 0.254 223 G C 0.320 175.385 174.900 0.275 0.000 0.982 223 G CA 0.339 45.517 45.100 0.131 0.000 0.632 223 G HN 0.468 nan 8.290 nan 0.000 0.529 224 L N 0.868 122.227 121.223 0.227 0.000 2.343 224 L HA 0.776 4.703 4.340 -0.688 0.000 0.275 224 L C 1.062 177.882 176.870 -0.083 0.000 1.056 224 L CA -0.540 54.338 54.840 0.065 0.000 0.804 224 L CB 1.574 43.553 42.059 -0.134 0.000 1.203 224 L HN 0.285 nan 8.230 nan 0.000 0.440 225 A N 2.259 124.957 122.820 -0.204 0.000 2.366 225 A HA 0.457 4.365 4.320 -0.688 0.000 0.249 225 A C -1.032 176.160 177.584 -0.653 0.000 1.084 225 A CA 0.140 51.844 52.037 -0.554 0.000 0.794 225 A CB 0.162 18.951 19.000 -0.353 0.000 1.034 225 A HN 0.611 nan 8.150 nan 0.000 0.491 226 Y N 0.271 120.203 120.300 -0.613 0.000 2.562 226 Y HA 0.427 4.563 4.550 -0.690 0.000 0.343 226 Y C -2.014 173.490 175.900 -0.660 0.000 1.025 226 Y CA -2.424 55.303 58.100 -0.622 0.000 1.082 226 Y CB 2.083 40.192 38.460 -0.586 0.000 1.264 226 Y HN 0.459 nan 8.280 nan 0.000 0.478 227 P HA 0.032 nan 4.420 nan 0.000 0.268 227 P C -2.633 174.432 177.300 -0.392 0.000 1.208 227 P CA -0.949 61.849 63.100 -0.502 0.000 0.777 227 P CB -0.035 31.291 31.700 -0.623 0.000 0.875 228 P HA 0.078 nan 4.420 nan 0.000 0.269 228 P C -0.578 176.673 177.300 -0.082 0.000 1.215 228 P CA 0.212 63.181 63.100 -0.219 0.000 0.780 228 P CB 0.134 31.768 31.700 -0.110 0.000 0.898 229 F N 0.810 120.812 119.950 0.086 0.000 2.484 229 F HA 0.150 4.263 4.527 -0.690 0.000 0.360 229 F C 1.456 177.277 175.800 0.035 0.000 1.101 229 F CA -0.116 57.929 58.000 0.075 0.000 1.251 229 F CB -0.421 38.596 39.000 0.029 0.000 1.132 229 F HN 0.234 nan 8.300 nan 0.000 0.570 230 N N 2.178 121.013 118.700 0.225 0.000 2.475 230 N HA -0.004 4.323 4.740 -0.688 0.000 0.267 230 N C 0.092 175.657 175.510 0.092 0.000 1.169 230 N CA 0.243 53.361 53.050 0.113 0.000 0.947 230 N CB 0.178 38.708 38.487 0.071 0.000 1.061 230 N HN 0.529 nan 8.380 nan 0.000 0.466 231 N N 1.339 120.077 118.700 0.064 0.000 2.280 231 N HA 0.091 4.418 4.740 -0.688 0.000 0.192 231 N C -0.488 175.028 175.510 0.010 0.000 1.109 231 N CA -0.221 52.852 53.050 0.038 0.000 0.855 231 N CB 0.495 39.008 38.487 0.043 0.000 0.974 231 N HN 0.256 nan 8.380 nan 0.000 0.482 232 V N 2.017 121.934 119.914 0.006 0.000 2.681 232 V HA -0.104 3.604 4.120 -0.688 0.000 0.306 232 V C 0.367 176.450 176.094 -0.019 0.000 1.077 232 V CA 0.606 62.899 62.300 -0.011 0.000 1.224 232 V CB 0.237 32.050 31.823 -0.017 0.000 0.879 232 V HN 0.190 nan 8.190 nan 0.000 0.494 233 K N 5.267 125.653 120.400 -0.025 0.000 2.371 233 K HA 0.582 4.489 4.320 -0.688 0.000 0.251 233 K C -2.225 174.352 176.600 -0.038 0.000 0.934 233 K CA -1.454 54.817 56.287 -0.026 0.000 0.798 233 K CB 2.049 34.539 32.500 -0.017 0.000 1.204 233 K HN 0.610 nan 8.250 nan 0.000 0.427 234 P HA 0.137 nan 4.420 nan 0.000 0.276 234 P C -0.778 176.498 177.300 -0.039 0.000 1.261 234 P CA -0.477 62.607 63.100 -0.028 0.000 0.800 234 P CB 0.977 32.663 31.700 -0.024 0.000 1.066 235 S N -0.081 115.610 115.700 -0.015 0.000 2.473 235 S HA 0.440 4.497 4.470 -0.688 0.000 0.307 235 S C -1.854 172.745 174.600 -0.001 0.000 1.094 235 S CA -1.466 56.722 58.200 -0.020 0.000 1.070 235 S CB 1.246 64.436 63.200 -0.015 0.000 1.019 235 S HN 0.123 nan 8.310 nan 0.000 0.480 236 P HA -0.004 nan 4.420 nan 0.000 0.216 236 P C 1.136 178.464 177.300 0.046 0.000 1.150 236 P CA 0.996 64.052 63.100 -0.073 0.000 0.837 236 P CB -0.068 31.403 31.700 -0.381 0.000 0.786 237 c N -0.861 117.774 118.600 0.058 0.000 2.450 237 c HA -0.012 4.145 4.570 -0.688 0.000 0.279 237 c C 2.554 176.663 174.090 0.031 0.000 1.335 237 c CA 0.494 56.861 56.329 0.064 0.000 1.749 237 c CB -1.450 41.070 42.510 0.016 0.000 1.963 237 c HN 0.331 nan 8.230 nan 0.000 0.501 238 E N 0.183 120.392 120.200 0.015 0.000 2.072 238 E HA -0.187 3.750 4.350 -0.688 0.000 0.191 238 E C 1.794 178.392 176.600 -0.003 0.000 0.985 238 E CA 1.072 57.461 56.400 -0.018 0.000 0.801 238 E CB -0.276 29.422 29.700 -0.003 0.000 0.750 238 E HN 0.693 nan 8.360 nan 0.000 0.452 239 F N 1.894 121.807 119.950 -0.061 0.000 2.120 239 F HA -0.216 3.898 4.527 -0.688 0.000 0.300 239 F C 2.026 177.803 175.800 -0.038 0.000 1.095 239 F CA 1.672 59.651 58.000 -0.033 0.000 1.249 239 F CB -0.151 38.864 39.000 0.025 0.000 0.995 239 F HN -0.000 nan 8.300 nan 0.000 0.480 240 I N -1.552 119.038 120.570 0.033 0.000 3.334 240 I HA 0.030 3.787 4.170 -0.688 0.000 0.282 240 I C 0.021 176.069 176.117 -0.113 0.000 1.313 240 I CA 0.792 62.075 61.300 -0.028 0.000 1.396 240 I CB -0.559 37.457 38.000 0.025 0.000 1.054 240 I HN 0.241 nan 8.210 nan 0.000 0.495 241 N N 0.820 119.381 118.700 -0.231 0.000 3.560 241 N HA -0.043 4.284 4.740 -0.688 0.000 0.183 241 N C 0.608 175.865 175.510 -0.422 0.000 1.495 241 N CA 0.645 53.460 53.050 -0.393 0.000 0.793 241 N CB 0.446 38.525 38.487 -0.680 0.000 1.681 241 N HN 0.251 nan 8.380 nan 0.000 0.667 242 T N -2.125 112.186 114.554 -0.405 0.000 3.072 242 T HA -0.047 3.890 4.350 -0.688 0.000 0.266 242 T C 1.493 175.779 174.700 -0.690 0.000 1.127 242 T CA 1.520 63.351 62.100 -0.449 0.000 1.107 242 T CB 0.025 68.707 68.868 -0.312 0.000 0.910 242 T HN 0.223 nan 8.240 nan 0.000 0.513 243 T N 0.886 115.110 114.554 -0.550 0.000 2.985 243 T HA 0.334 4.271 4.350 -0.688 0.000 0.266 243 T C 2.022 176.421 174.700 -0.502 0.000 1.076 243 T CA 0.931 62.741 62.100 -0.483 0.000 1.135 243 T CB -0.443 68.216 68.868 -0.348 0.000 0.890 243 T HN 0.618 nan 8.240 nan 0.000 0.480 244 A N -0.290 122.202 122.820 -0.546 0.000 2.115 244 A HA 0.171 4.078 4.320 -0.688 0.000 0.211 244 A C 0.451 177.923 177.584 -0.185 0.000 1.169 244 A CA 0.039 51.864 52.037 -0.353 0.000 0.787 244 A CB -0.189 18.530 19.000 -0.468 0.000 0.858 244 A HN 0.661 nan 8.150 nan 0.000 0.474 245 H N -0.898 118.064 119.070 -0.180 0.000 2.604 245 H HA -0.130 4.013 4.556 -0.688 0.000 0.321 245 H C -0.767 174.424 175.328 -0.229 0.000 1.132 245 H CA 0.855 56.801 56.048 -0.170 0.000 1.129 245 H CB -2.163 27.511 29.762 -0.146 0.000 1.526 245 H HN 0.218 nan 8.280 nan 0.000 0.415 246 V N 2.045 121.871 119.914 -0.146 0.000 2.328 246 V HA 0.226 3.933 4.120 -0.688 0.000 0.278 246 V C -1.673 174.216 176.094 -0.342 0.000 1.021 246 V CA -1.338 60.781 62.300 -0.302 0.000 0.838 246 V CB 1.783 33.531 31.823 -0.125 0.000 0.999 246 V HN 0.093 nan 8.190 nan 0.000 0.447 247 P HA 0.228 nan 4.420 nan 0.000 0.275 247 P C -0.193 176.995 177.300 -0.186 0.000 1.266 247 P CA -0.534 62.388 63.100 -0.297 0.000 0.793 247 P CB 0.479 32.012 31.700 -0.278 0.000 1.074 248 c N 0.412 118.970 118.600 -0.072 0.000 2.657 248 c HA 0.243 4.400 4.570 -0.688 0.000 0.404 248 c C 0.669 174.775 174.090 0.027 0.000 1.291 248 c CA -0.007 56.278 56.329 -0.074 0.000 2.218 248 c CB -1.376 41.156 42.510 0.037 0.000 2.687 248 c HN 0.364 nan 8.230 nan 0.000 0.634 249 F N 1.184 121.178 119.950 0.073 0.000 2.450 249 F HA 0.292 4.402 4.527 -0.695 0.000 0.339 249 F C 0.649 176.420 175.800 -0.048 0.000 1.146 249 F CA -0.061 57.937 58.000 -0.003 0.000 1.267 249 F CB 0.304 39.252 39.000 -0.087 0.000 1.178 249 F HN 0.529 nan 8.300 nan 0.000 0.585 250 Q N 2.093 121.986 119.800 0.154 0.000 2.413 250 Q HA 0.662 4.589 4.340 -0.688 0.000 0.258 250 Q C -1.306 174.667 176.000 -0.046 0.000 1.037 250 Q CA -0.456 55.365 55.803 0.031 0.000 0.764 250 Q CB 1.004 29.762 28.738 0.035 0.000 1.217 250 Q HN 0.814 nan 8.270 nan 0.000 0.490 251 A N 2.314 125.073 122.820 -0.101 0.000 2.578 251 A HA 0.776 4.683 4.320 -0.688 0.000 0.255 251 A C 0.890 178.421 177.584 -0.089 0.000 1.251 251 A CA -0.106 51.852 52.037 -0.133 0.000 0.882 251 A CB 0.259 19.100 19.000 -0.265 0.000 1.416 251 A HN 0.798 nan 8.150 nan 0.000 0.462 252 G N -0.942 107.829 108.800 -0.048 0.000 2.450 252 G HA2 0.036 3.584 3.960 -0.688 0.000 0.220 252 G HA3 0.036 3.584 3.960 -0.688 0.000 0.220 252 G C 0.269 175.159 174.900 -0.017 0.000 1.130 252 G CA 1.591 46.686 45.100 -0.009 0.000 0.760 252 G HN 0.801 nan 8.290 nan 0.000 0.557 253 D N -1.837 118.540 120.400 -0.039 0.000 2.248 253 D HA 0.495 4.722 4.640 -0.688 0.000 0.246 253 D C 1.346 177.516 176.300 -0.217 0.000 1.027 253 D CA -0.468 53.452 54.000 -0.134 0.000 0.853 253 D CB 1.815 42.561 40.800 -0.091 0.000 1.243 253 D HN -0.090 nan 8.370 nan 0.000 0.462 254 S N 1.946 117.460 115.700 -0.311 0.000 2.419 254 S HA -0.140 3.918 4.470 -0.688 0.000 0.233 254 S C 1.398 175.868 174.600 -0.217 0.000 1.016 254 S CA 0.943 58.993 58.200 -0.251 0.000 0.974 254 S CB -0.138 62.903 63.200 -0.264 0.000 0.786 254 S HN 0.507 nan 8.310 nan 0.000 0.492 255 R N 1.497 121.813 120.500 -0.307 0.000 2.320 255 R HA 0.411 4.338 4.340 -0.688 0.000 0.211 255 R C 1.925 178.185 176.300 -0.066 0.000 0.931 255 R CA 0.526 56.531 56.100 -0.159 0.000 1.071 255 R CB -0.646 29.529 30.300 -0.208 0.000 1.025 255 R HN 0.331 nan 8.270 nan 0.000 0.495 256 A N 0.563 123.296 122.820 -0.144 0.000 1.997 256 A HA -0.206 3.702 4.320 -0.688 0.000 0.221 256 A C 1.614 179.132 177.584 -0.111 0.000 1.172 256 A CA 1.987 53.868 52.037 -0.261 0.000 0.645 256 A CB -0.330 18.261 19.000 -0.682 0.000 0.813 256 A HN 0.286 nan 8.150 nan 0.000 0.454 257 S N -0.618 115.019 115.700 -0.105 0.000 2.614 257 S HA 0.078 4.135 4.470 -0.688 0.000 0.230 257 S C 1.341 175.690 174.600 -0.419 0.000 0.952 257 S CA 0.064 58.185 58.200 -0.132 0.000 0.949 257 S CB 0.195 63.366 63.200 -0.048 0.000 0.786 257 S HN 0.614 nan 8.310 nan 0.000 0.478 258 E N 2.013 121.894 120.200 -0.531 0.000 2.204 258 E HA -0.149 3.789 4.350 -0.688 0.000 0.195 258 E C 0.200 176.501 176.600 -0.498 0.000 0.990 258 E CA 1.055 56.890 56.400 -0.941 0.000 0.821 258 E CB 0.226 29.658 29.700 -0.447 0.000 0.750 258 E HN 0.738 nan 8.360 nan 0.000 0.477 259 Q N -1.876 117.798 119.800 -0.211 0.000 2.503 259 Q HA 0.228 4.155 4.340 -0.688 0.000 0.268 259 Q C 0.402 176.365 176.000 -0.061 0.000 0.982 259 Q CA -0.288 55.490 55.803 -0.042 0.000 0.907 259 Q CB 0.070 28.889 28.738 0.134 0.000 1.467 259 Q HN -0.040 nan 8.270 nan 0.000 0.394 260 I N 0.791 121.312 120.570 -0.082 0.000 2.181 260 I HA -0.315 3.442 4.170 -0.688 0.000 0.247 260 I C 0.746 176.849 176.117 -0.024 0.000 1.081 260 I CA 1.624 62.877 61.300 -0.077 0.000 1.340 260 I CB 0.087 38.005 38.000 -0.136 0.000 1.036 260 I HN 0.824 nan 8.210 nan 0.000 0.417 261 L N -0.298 120.912 121.223 -0.022 0.000 2.093 261 L HA -0.189 3.738 4.340 -0.688 0.000 0.208 261 L C 2.248 179.130 176.870 0.020 0.000 1.085 261 L CA 1.609 56.451 54.840 0.003 0.000 0.755 261 L CB -1.474 40.585 42.059 0.000 0.000 0.904 261 L HN 0.343 nan 8.230 nan 0.000 0.435 262 L N -0.045 121.181 121.223 0.004 0.000 2.017 262 L HA -0.099 3.828 4.340 -0.688 0.000 0.208 262 L C 2.514 179.467 176.870 0.138 0.000 1.073 262 L CA 1.934 56.787 54.840 0.022 0.000 0.745 262 L CB -0.770 41.270 42.059 -0.032 0.000 0.894 262 L HN 0.168 nan 8.230 nan 0.000 0.432 263 A N -1.456 121.440 122.820 0.127 0.000 1.978 263 A HA -0.212 3.696 4.320 -0.688 0.000 0.220 263 A C 2.240 179.935 177.584 0.184 0.000 1.170 263 A CA 2.286 54.450 52.037 0.212 0.000 0.636 263 A CB -1.213 17.949 19.000 0.270 0.000 0.810 263 A HN 0.552 nan 8.150 nan 0.000 0.448 264 T N -0.399 114.231 114.554 0.126 0.000 2.737 264 T HA -0.105 3.833 4.350 -0.688 0.000 0.265 264 T C 1.831 176.584 174.700 0.088 0.000 1.038 264 T CA 1.697 63.852 62.100 0.092 0.000 1.144 264 T CB -0.396 68.510 68.868 0.064 0.000 0.866 264 T HN 0.193 nan 8.240 nan 0.000 0.434 265 V N 0.926 120.904 119.914 0.108 0.000 2.667 265 V HA -0.115 3.592 4.120 -0.688 0.000 0.252 265 V C 2.358 178.487 176.094 0.058 0.000 1.065 265 V CA 1.209 63.588 62.300 0.133 0.000 1.083 265 V CB -0.712 31.211 31.823 0.166 0.000 0.692 265 V HN 0.562 nan 8.190 nan 0.000 0.468 266 H N 0.674 119.746 119.070 0.004 0.000 2.387 266 H HA -0.115 4.024 4.556 -0.696 0.000 0.299 266 H C 2.473 177.737 175.328 -0.106 0.000 1.090 266 H CA 2.118 58.136 56.048 -0.049 0.000 1.332 266 H CB -0.108 29.622 29.762 -0.053 0.000 1.386 266 H HN 0.425 nan 8.280 nan 0.000 0.516 267 T N 1.546 116.100 114.554 0.000 0.000 2.674 267 T HA -0.126 3.812 4.350 -0.688 0.000 0.265 267 T C 2.229 176.866 174.700 -0.105 0.000 1.039 267 T CA 0.693 62.720 62.100 -0.121 0.000 1.150 267 T CB -0.469 68.322 68.868 -0.129 0.000 0.864 267 T HN 0.029 nan 8.240 nan 0.000 0.427 268 L N 0.940 122.123 121.223 -0.066 0.000 2.034 268 L HA -0.106 3.821 4.340 -0.688 0.000 0.217 268 L C 2.350 179.165 176.870 -0.093 0.000 1.077 268 L CA 1.606 56.395 54.840 -0.086 0.000 0.769 268 L CB -1.046 40.995 42.059 -0.031 0.000 0.890 268 L HN 0.304 nan 8.230 nan 0.000 0.435 269 L N -1.854 119.343 121.223 -0.044 0.000 2.093 269 L HA -0.202 3.725 4.340 -0.688 0.000 0.208 269 L C 2.448 179.266 176.870 -0.086 0.000 1.085 269 L CA 0.759 55.567 54.840 -0.054 0.000 0.755 269 L CB -0.539 41.502 42.059 -0.030 0.000 0.904 269 L HN 0.309 nan 8.230 nan 0.000 0.435 270 L N 0.047 121.211 121.223 -0.098 0.000 2.046 270 L HA -0.194 3.734 4.340 -0.688 0.000 0.208 270 L C 2.686 179.509 176.870 -0.078 0.000 1.077 270 L CA 1.647 56.420 54.840 -0.111 0.000 0.747 270 L CB -0.381 41.589 42.059 -0.149 0.000 0.896 270 L HN 0.060 nan 8.230 nan 0.000 0.432 271 R N -0.562 119.871 120.500 -0.112 0.000 2.096 271 R HA -0.182 3.745 4.340 -0.688 0.000 0.235 271 R C 2.231 178.470 176.300 -0.101 0.000 1.127 271 R CA 1.300 57.332 56.100 -0.113 0.000 0.968 271 R CB -0.356 29.852 30.300 -0.154 0.000 0.861 271 R HN 0.378 nan 8.270 nan 0.000 0.440 272 E N 0.149 120.272 120.200 -0.128 0.000 2.110 272 E HA -0.223 3.714 4.350 -0.688 0.000 0.193 272 E C 1.662 178.202 176.600 -0.100 0.000 0.988 272 E CA 1.607 57.907 56.400 -0.167 0.000 0.804 272 E CB -0.124 29.417 29.700 -0.265 0.000 0.745 272 E HN 0.452 nan 8.360 nan 0.000 0.458 273 H N -0.135 118.879 119.070 -0.094 0.000 2.270 273 H HA -0.068 4.074 4.556 -0.689 0.000 0.299 273 H C 1.702 177.016 175.328 -0.023 0.000 1.077 273 H CA 2.230 58.268 56.048 -0.017 0.000 1.294 273 H CB -0.147 29.660 29.762 0.074 0.000 1.371 273 H HN 0.127 nan 8.280 nan 0.000 0.491 274 N N 0.315 119.120 118.700 0.174 0.000 2.192 274 N HA -0.166 4.161 4.740 -0.688 0.000 0.188 274 N C 1.981 177.475 175.510 -0.025 0.000 1.013 274 N CA 1.057 54.165 53.050 0.096 0.000 0.863 274 N CB -0.337 38.193 38.487 0.071 0.000 0.990 274 N HN 0.414 nan 8.380 nan 0.000 0.430 275 R N 0.159 120.613 120.500 -0.076 0.000 2.055 275 R HA -0.014 3.913 4.340 -0.688 0.000 0.228 275 R C 1.704 177.917 176.300 -0.145 0.000 1.143 275 R CA 0.751 56.786 56.100 -0.109 0.000 0.945 275 R CB -0.336 29.882 30.300 -0.137 0.000 0.841 275 R HN 0.052 nan 8.270 nan 0.000 0.429 276 L N 0.950 122.054 121.223 -0.199 0.000 2.021 276 L HA -0.193 3.734 4.340 -0.688 0.000 0.215 276 L C 2.512 179.249 176.870 -0.222 0.000 1.074 276 L CA 2.201 56.889 54.840 -0.253 0.000 0.760 276 L CB -1.271 40.600 42.059 -0.314 0.000 0.889 276 L HN 0.293 nan 8.230 nan 0.000 0.433 277 A N -0.043 122.645 122.820 -0.220 0.000 1.930 277 A HA -0.198 3.710 4.320 -0.688 0.000 0.217 277 A C 2.282 179.827 177.584 -0.065 0.000 1.175 277 A CA 1.591 53.544 52.037 -0.140 0.000 0.627 277 A CB -0.446 18.492 19.000 -0.102 0.000 0.815 277 A HN 0.584 nan 8.150 nan 0.000 0.443 278 R N -1.280 119.184 120.500 -0.060 0.000 2.240 278 R HA 0.108 4.035 4.340 -0.688 0.000 0.203 278 R C 1.333 177.590 176.300 -0.071 0.000 1.011 278 R CA 0.892 56.965 56.100 -0.045 0.000 1.007 278 R CB -0.176 30.108 30.300 -0.027 0.000 0.911 278 R HN 0.286 nan 8.270 nan 0.000 0.468 279 E N 1.652 121.791 120.200 -0.101 0.000 2.072 279 E HA -0.034 3.903 4.350 -0.688 0.000 0.190 279 E C 2.061 178.578 176.600 -0.139 0.000 0.982 279 E CA 0.889 57.217 56.400 -0.120 0.000 0.803 279 E CB -0.036 29.575 29.700 -0.149 0.000 0.755 279 E HN 0.374 nan 8.360 nan 0.000 0.453 280 L N 0.687 121.821 121.223 -0.148 0.000 2.291 280 L HA -0.130 3.797 4.340 -0.688 0.000 0.214 280 L C 2.384 179.124 176.870 -0.217 0.000 1.120 280 L CA 0.817 55.553 54.840 -0.173 0.000 0.799 280 L CB -0.179 41.841 42.059 -0.066 0.000 0.925 280 L HN 0.007 nan 8.230 nan 0.000 0.446 281 K N 0.470 120.796 120.400 -0.124 0.000 2.167 281 K HA -0.085 3.822 4.320 -0.688 0.000 0.203 281 K C 2.105 178.629 176.600 -0.126 0.000 1.052 281 K CA 1.011 57.232 56.287 -0.110 0.000 0.956 281 K CB 0.057 32.536 32.500 -0.034 0.000 0.735 281 K HN 0.047 nan 8.250 nan 0.000 0.451 282 R N 0.016 120.449 120.500 -0.111 0.000 2.070 282 R HA -0.005 3.922 4.340 -0.688 0.000 0.233 282 R C 2.215 178.450 176.300 -0.110 0.000 1.137 282 R CA 1.848 57.894 56.100 -0.090 0.000 0.945 282 R CB -0.446 29.810 30.300 -0.074 0.000 0.845 282 R HN 0.171 nan 8.270 nan 0.000 0.430 283 L N 0.446 121.580 121.223 -0.150 0.000 2.201 283 L HA -0.099 3.828 4.340 -0.688 0.000 0.212 283 L C 0.198 176.925 176.870 -0.238 0.000 1.105 283 L CA 0.805 55.550 54.840 -0.159 0.000 0.775 283 L CB -0.088 41.882 42.059 -0.149 0.000 0.913 283 L HN 0.195 nan 8.230 nan 0.000 0.440 284 N N -0.762 117.691 118.700 -0.413 0.000 2.791 284 N HA 0.187 4.514 4.740 -0.688 0.000 0.265 284 N C -2.142 173.085 175.510 -0.472 0.000 1.580 284 N CA -0.960 51.694 53.050 -0.660 0.000 0.809 284 N CB 1.122 38.554 38.487 -1.758 0.000 1.178 284 N HN -0.101 nan 8.380 nan 0.000 0.499 285 P HA -0.146 nan 4.420 nan 0.000 0.221 285 P C 1.244 178.582 177.300 0.064 0.000 1.145 285 P CA 1.219 64.314 63.100 -0.009 0.000 0.795 285 P CB 0.026 31.754 31.700 0.047 0.000 0.775 286 H N -3.959 115.136 119.070 0.042 0.000 2.535 286 H HA 0.000 4.144 4.556 -0.687 0.000 0.273 286 H C 0.139 175.644 175.328 0.294 0.000 0.983 286 H CA -0.067 56.068 56.048 0.145 0.000 1.238 286 H CB -0.871 28.981 29.762 0.150 0.000 1.412 286 H HN 0.080 nan 8.280 nan 0.000 0.562 287 W N 4.374 125.487 121.300 -0.311 0.000 2.216 287 W HA 0.179 4.426 4.660 -0.689 0.000 0.326 287 W C 0.240 176.727 176.519 -0.054 0.000 1.319 287 W CA -0.831 56.407 57.345 -0.178 0.000 1.213 287 W CB 0.260 29.598 29.460 -0.204 0.000 1.171 287 W HN 0.357 nan 8.180 nan 0.000 0.557 288 D N -0.354 120.145 120.400 0.165 0.000 2.423 288 D HA 0.427 4.654 4.640 -0.688 0.000 0.255 288 D C 1.535 177.890 176.300 0.092 0.000 1.174 288 D CA -0.331 53.731 54.000 0.103 0.000 1.008 288 D CB 0.588 41.426 40.800 0.065 0.000 1.101 288 D HN 0.374 nan 8.370 nan 0.000 0.516 289 G N -0.539 108.303 108.800 0.070 0.000 2.469 289 G HA2 -0.374 3.174 3.960 -0.688 0.000 0.219 289 G HA3 -0.374 3.174 3.960 -0.688 0.000 0.219 289 G C 1.402 176.344 174.900 0.069 0.000 1.150 289 G CA 1.184 46.325 45.100 0.068 0.000 0.763 289 G HN 0.659 nan 8.290 nan 0.000 0.561 290 E N 0.080 120.301 120.200 0.035 0.000 2.051 290 E HA -0.099 3.838 4.350 -0.688 0.000 0.192 290 E C 2.576 179.171 176.600 -0.008 0.000 0.991 290 E CA 1.079 57.498 56.400 0.031 0.000 0.799 290 E CB -0.247 29.460 29.700 0.011 0.000 0.748 290 E HN 0.301 nan 8.360 nan 0.000 0.449 291 M N -0.150 119.415 119.600 -0.058 0.000 2.279 291 M HA -0.112 3.955 4.480 -0.688 0.000 0.264 291 M C 1.789 178.022 176.300 -0.113 0.000 1.062 291 M CA 0.827 56.014 55.300 -0.188 0.000 1.099 291 M CB -0.563 31.822 32.600 -0.358 0.000 1.394 291 M HN 0.216 nan 8.290 nan 0.000 0.426 292 L N -0.976 120.285 121.223 0.062 0.000 2.007 292 L HA -0.169 3.759 4.340 -0.688 0.000 0.205 292 L C 2.485 179.387 176.870 0.053 0.000 1.073 292 L CA 1.777 56.696 54.840 0.131 0.000 0.744 292 L CB -1.944 40.207 42.059 0.154 0.000 0.898 292 L HN 0.253 nan 8.230 nan 0.000 0.435 293 Y N 1.021 121.315 120.300 -0.011 0.000 2.069 293 Y HA -0.333 3.804 4.550 -0.689 0.000 0.278 293 Y C 2.749 178.572 175.900 -0.128 0.000 1.175 293 Y CA 1.986 60.113 58.100 0.044 0.000 1.134 293 Y CB -0.238 38.224 38.460 0.004 0.000 0.965 293 Y HN 0.260 nan 8.280 nan 0.000 0.498 294 Q N 0.255 119.820 119.800 -0.391 0.000 2.020 294 Q HA -0.189 3.739 4.340 -0.688 0.000 0.202 294 Q C 2.145 177.753 176.000 -0.652 0.000 0.982 294 Q CA 1.863 57.177 55.803 -0.815 0.000 0.838 294 Q CB -0.479 27.450 28.738 -1.349 0.000 0.899 294 Q HN 0.619 nan 8.270 nan 0.000 0.423 295 E N 0.501 120.476 120.200 -0.375 0.000 2.153 295 E HA -0.106 3.831 4.350 -0.688 0.000 0.194 295 E C 1.865 178.433 176.600 -0.054 0.000 0.988 295 E CA 0.943 57.317 56.400 -0.044 0.000 0.811 295 E CB -0.110 29.716 29.700 0.209 0.000 0.746 295 E HN 0.302 nan 8.360 nan 0.000 0.466 296 A N 1.791 124.490 122.820 -0.201 0.000 1.832 296 A HA -0.216 3.692 4.320 -0.688 0.000 0.214 296 A C 2.247 179.702 177.584 -0.214 0.000 1.200 296 A CA 1.808 53.655 52.037 -0.317 0.000 0.610 296 A CB -0.655 17.917 19.000 -0.713 0.000 0.842 296 A HN 0.193 nan 8.150 nan 0.000 0.444 297 R N -0.018 120.297 120.500 -0.308 0.000 2.133 297 R HA -0.276 3.651 4.340 -0.688 0.000 0.245 297 R C 2.257 178.476 176.300 -0.135 0.000 1.137 297 R CA 2.478 58.330 56.100 -0.413 0.000 0.947 297 R CB -0.386 29.207 30.300 -1.179 0.000 0.865 297 R HN 0.530 nan 8.270 nan 0.000 0.437 298 K N 0.077 120.410 120.400 -0.111 0.000 2.063 298 K HA -0.150 3.757 4.320 -0.688 0.000 0.208 298 K C 2.082 178.885 176.600 0.339 0.000 1.048 298 K CA 2.029 58.384 56.287 0.112 0.000 0.928 298 K CB -0.134 32.453 32.500 0.144 0.000 0.713 298 K HN 0.307 nan 8.250 nan 0.000 0.442 299 I N 0.691 121.425 120.570 0.274 0.000 2.252 299 I HA -0.255 3.503 4.170 -0.688 0.000 0.245 299 I C 2.242 178.433 176.117 0.123 0.000 1.102 299 I CA 0.468 61.886 61.300 0.195 0.000 1.385 299 I CB -0.195 37.771 38.000 -0.055 0.000 1.064 299 I HN 0.196 nan 8.210 nan 0.000 0.414 300 L N 1.188 122.481 121.223 0.116 0.000 2.017 300 L HA -0.100 3.827 4.340 -0.688 0.000 0.208 300 L C 2.387 179.432 176.870 0.291 0.000 1.073 300 L CA 2.231 57.179 54.840 0.179 0.000 0.745 300 L CB -1.211 40.986 42.059 0.229 0.000 0.894 300 L HN 0.202 nan 8.230 nan 0.000 0.432 301 G N -1.273 107.684 108.800 0.261 0.000 2.422 301 G HA2 -0.261 3.286 3.960 -0.688 0.000 0.218 301 G HA3 -0.261 3.286 3.960 -0.688 0.000 0.218 301 G C 1.602 176.617 174.900 0.191 0.000 1.146 301 G CA 0.817 46.065 45.100 0.248 0.000 0.769 301 G HN 0.632 nan 8.290 nan 0.000 0.547 302 A N 0.489 123.409 122.820 0.167 0.000 1.902 302 A HA 0.062 3.969 4.320 -0.688 0.000 0.217 302 A C 2.141 179.623 177.584 -0.169 0.000 1.181 302 A CA 1.580 53.596 52.037 -0.034 0.000 0.623 302 A CB -0.552 18.403 19.000 -0.076 0.000 0.818 302 A HN 0.459 nan 8.150 nan 0.000 0.443 303 F N 1.313 121.184 119.950 -0.132 0.000 2.069 303 F HA -0.228 3.885 4.527 -0.691 0.000 0.298 303 F C 1.996 177.824 175.800 0.046 0.000 1.113 303 F CA 1.919 59.861 58.000 -0.097 0.000 1.214 303 F CB -0.193 38.790 39.000 -0.028 0.000 0.978 303 F HN 0.166 nan 8.300 nan 0.000 0.474 304 I N 0.816 121.527 120.570 0.234 0.000 2.145 304 I HA -0.364 3.393 4.170 -0.688 0.000 0.244 304 I C 2.354 178.598 176.117 0.211 0.000 1.075 304 I CA 1.825 63.302 61.300 0.295 0.000 1.332 304 I CB -1.774 36.429 38.000 0.338 0.000 1.033 304 I HN 0.410 nan 8.210 nan 0.000 0.410 305 Q N 0.444 120.301 119.800 0.095 0.000 2.061 305 Q HA -0.177 3.750 4.340 -0.688 0.000 0.204 305 Q C 2.417 178.427 176.000 0.017 0.000 0.984 305 Q CA 1.517 57.358 55.803 0.064 0.000 0.846 305 Q CB -0.133 28.387 28.738 -0.363 0.000 0.902 305 Q HN 0.524 nan 8.270 nan 0.000 0.421 306 I N 0.504 120.873 120.570 -0.336 0.000 2.113 306 I HA -0.277 3.481 4.170 -0.688 0.000 0.238 306 I C 2.176 178.185 176.117 -0.180 0.000 1.070 306 I CA 0.800 61.871 61.300 -0.381 0.000 1.332 306 I CB -0.364 37.220 38.000 -0.693 0.000 1.044 306 I HN 0.214 nan 8.210 nan 0.000 0.402 307 I N 0.828 121.190 120.570 -0.347 0.000 2.151 307 I HA -0.283 3.474 4.170 -0.688 0.000 0.243 307 I C 2.658 178.677 176.117 -0.164 0.000 1.080 307 I CA 1.937 63.004 61.300 -0.388 0.000 1.339 307 I CB -1.820 35.697 38.000 -0.804 0.000 1.039 307 I HN 0.287 nan 8.210 nan 0.000 0.409 308 T N 0.887 115.555 114.554 0.189 0.000 2.708 308 T HA -0.161 3.776 4.350 -0.688 0.000 0.266 308 T C 1.771 176.608 174.700 0.229 0.000 1.037 308 T CA 1.526 63.865 62.100 0.399 0.000 1.146 308 T CB -0.351 68.860 68.868 0.572 0.000 0.865 308 T HN 0.101 nan 8.240 nan 0.000 0.435 309 F N 0.554 120.609 119.950 0.175 0.000 2.387 309 F HA 0.291 4.406 4.527 -0.686 0.000 0.294 309 F C 2.518 178.383 175.800 0.108 0.000 1.093 309 F CA 0.210 58.324 58.000 0.190 0.000 1.420 309 F CB -0.160 39.080 39.000 0.400 0.000 1.086 309 F HN -0.068 nan 8.300 nan 0.000 0.531 310 R N 0.144 120.773 120.500 0.216 0.000 2.080 310 R HA -0.064 3.863 4.340 -0.688 0.000 0.222 310 R C 1.089 177.380 176.300 -0.015 0.000 1.107 310 R CA 1.701 57.864 56.100 0.106 0.000 0.980 310 R CB -0.033 30.314 30.300 0.079 0.000 0.879 310 R HN 0.169 nan 8.270 nan 0.000 0.439 311 D N -1.194 119.132 120.400 -0.123 0.000 2.525 311 D HA -0.075 4.152 4.640 -0.688 0.000 0.248 311 D C 1.462 177.482 176.300 -0.467 0.000 1.000 311 D CA 0.384 54.218 54.000 -0.278 0.000 0.923 311 D CB -0.513 40.099 40.800 -0.313 0.000 1.101 311 D HN 0.093 nan 8.370 nan 0.000 0.493 312 Y N 2.444 122.358 120.300 -0.642 0.000 2.084 312 Y HA -0.095 4.050 4.550 -0.674 0.000 0.279 312 Y C 2.320 178.111 175.900 -0.182 0.000 1.119 312 Y CA 1.447 59.261 58.100 -0.476 0.000 1.101 312 Y CB -0.636 37.707 38.460 -0.194 0.000 0.989 312 Y HN -0.201 nan 8.280 nan 0.000 0.484 313 L N 0.017 121.071 121.223 -0.282 0.000 2.012 313 L HA -0.177 3.751 4.340 -0.688 0.000 0.210 313 L C -0.456 176.260 176.870 -0.258 0.000 1.073 313 L CA 1.464 56.072 54.840 -0.388 0.000 0.748 313 L CB -1.993 39.777 42.059 -0.482 0.000 0.891 313 L HN 0.209 nan 8.230 nan 0.000 0.431 314 P HA -0.187 nan 4.420 nan 0.000 0.220 314 P C 1.507 178.726 177.300 -0.137 0.000 1.144 314 P CA 1.483 64.513 63.100 -0.116 0.000 0.800 314 P CB -0.152 31.501 31.700 -0.078 0.000 0.772 315 I N -6.303 114.155 120.570 -0.186 0.000 3.860 315 I HA 0.070 3.827 4.170 -0.688 0.000 0.319 315 I C 1.338 177.353 176.117 -0.169 0.000 1.279 315 I CA 0.201 61.383 61.300 -0.198 0.000 1.220 315 I CB -0.156 37.691 38.000 -0.254 0.000 1.027 315 I HN -0.257 nan 8.210 nan 0.000 0.428 316 V N 0.793 120.615 119.914 -0.153 0.000 2.403 316 V HA -0.026 3.681 4.120 -0.688 0.000 0.239 316 V C 2.292 178.307 176.094 -0.133 0.000 1.041 316 V CA 0.933 63.181 62.300 -0.087 0.000 1.051 316 V CB -0.294 31.388 31.823 -0.235 0.000 0.704 316 V HN 0.282 nan 8.190 nan 0.000 0.472 317 L N 0.450 121.588 121.223 -0.142 0.000 2.201 317 L HA 0.232 4.160 4.340 -0.688 0.000 0.212 317 L C 1.624 178.475 176.870 -0.033 0.000 1.105 317 L CA 1.771 56.565 54.840 -0.076 0.000 0.775 317 L CB -1.796 40.243 42.059 -0.033 0.000 0.913 317 L HN 0.567 nan 8.230 nan 0.000 0.440 318 G N -0.450 108.319 108.800 -0.051 0.000 2.564 318 G HA2 -0.387 3.160 3.960 -0.688 0.000 0.273 318 G HA3 -0.387 3.160 3.960 -0.688 0.000 0.273 318 G C 1.004 175.898 174.900 -0.009 0.000 1.242 318 G CA 0.954 46.032 45.100 -0.036 0.000 0.951 318 G HN 0.430 nan 8.290 nan 0.000 0.564 319 S N 0.020 115.718 115.700 -0.004 0.000 2.500 319 S HA -0.015 4.042 4.470 -0.688 0.000 0.239 319 S C 1.532 176.143 174.600 0.018 0.000 0.989 319 S CA 1.936 60.136 58.200 0.001 0.000 0.951 319 S CB -0.024 63.173 63.200 -0.004 0.000 0.759 319 S HN 0.629 nan 8.310 nan 0.000 0.523 320 E N 0.617 120.851 120.200 0.058 0.000 2.481 320 E HA 0.071 4.008 4.350 -0.688 0.000 0.195 320 E C 1.527 178.227 176.600 0.166 0.000 1.047 320 E CA 0.281 56.761 56.400 0.133 0.000 0.867 320 E CB -0.330 29.521 29.700 0.253 0.000 0.858 320 E HN 0.592 nan 8.360 nan 0.000 0.513 321 M N 1.286 120.942 119.600 0.094 0.000 2.073 321 M HA -0.249 3.818 4.480 -0.688 0.000 0.258 321 M C 1.915 178.267 176.300 0.087 0.000 1.070 321 M CA 1.899 57.252 55.300 0.089 0.000 1.103 321 M CB -0.146 32.473 32.600 0.031 0.000 1.321 321 M HN -0.058 nan 8.290 nan 0.000 0.405 322 Q N -0.686 119.132 119.800 0.030 0.000 2.167 322 Q HA -0.193 3.734 4.340 -0.688 0.000 0.202 322 Q C 2.170 178.128 176.000 -0.069 0.000 0.970 322 Q CA 1.566 57.369 55.803 -0.000 0.000 0.855 322 Q CB -0.300 28.427 28.738 -0.018 0.000 0.911 322 Q HN 0.598 nan 8.270 nan 0.000 0.438 323 K N 0.072 120.374 120.400 -0.164 0.000 2.063 323 K HA -0.190 3.718 4.320 -0.688 0.000 0.208 323 K C 1.113 177.370 176.600 -0.572 0.000 1.048 323 K CA 1.629 57.645 56.287 -0.451 0.000 0.928 323 K CB 0.029 32.147 32.500 -0.636 0.000 0.713 323 K HN 0.258 nan 8.250 nan 0.000 0.442 324 W N -0.313 121.006 121.300 0.032 0.000 2.842 324 W HA 0.307 4.559 4.660 -0.681 0.000 0.267 324 W C 0.018 176.580 176.519 0.071 0.000 1.219 324 W CA -0.548 56.827 57.345 0.050 0.000 1.458 324 W CB 0.688 30.190 29.460 0.069 0.000 1.006 324 W HN -0.178 nan 8.180 nan 0.000 0.603 325 I N 2.675 123.398 120.570 0.255 0.000 2.595 325 I HA 0.227 3.984 4.170 -0.688 0.000 0.275 325 I C -2.190 174.018 176.117 0.152 0.000 1.092 325 I CA -1.926 59.507 61.300 0.222 0.000 1.145 325 I CB 0.680 38.834 38.000 0.257 0.000 1.276 325 I HN -0.423 nan 8.210 nan 0.000 0.497 326 P HA 0.409 nan 4.420 nan 0.000 0.278 326 P C -2.575 174.787 177.300 0.103 0.000 1.266 326 P CA -1.710 61.432 63.100 0.071 0.000 0.807 326 P CB -0.276 31.438 31.700 0.024 0.000 1.094 327 P HA 0.003 nan 4.420 nan 0.000 0.265 327 P C -0.415 176.966 177.300 0.135 0.000 1.187 327 P CA 0.204 63.378 63.100 0.124 0.000 0.766 327 P CB -0.124 31.628 31.700 0.087 0.000 0.820 328 Y N 2.619 122.932 120.300 0.022 0.000 2.717 328 Y HA -0.071 4.067 4.550 -0.686 0.000 0.330 328 Y C 1.234 177.121 175.900 -0.022 0.000 1.217 328 Y CA 0.897 58.982 58.100 -0.024 0.000 1.506 328 Y CB 0.317 38.761 38.460 -0.026 0.000 1.268 328 Y HN 0.407 nan 8.280 nan 0.000 0.561 329 Q N 4.634 124.150 119.800 -0.474 0.000 2.139 329 Q HA 0.341 4.268 4.340 -0.688 0.000 0.219 329 Q C 0.428 176.079 176.000 -0.582 0.000 0.805 329 Q CA 0.305 55.868 55.803 -0.399 0.000 1.024 329 Q CB 0.903 29.511 28.738 -0.216 0.000 1.163 329 Q HN 1.015 nan 8.270 nan 0.000 0.485 330 G N 1.437 109.488 108.800 -1.248 0.000 2.555 330 G HA2 -0.249 3.299 3.960 -0.688 0.000 0.686 330 G HA3 -0.249 3.299 3.960 -0.688 0.000 0.686 330 G C -1.366 173.298 174.900 -0.393 0.000 1.275 330 G CA -1.008 43.606 45.100 -0.809 0.000 0.871 330 G HN 0.186 nan 8.290 nan 0.000 0.603 331 Y N 1.804 122.018 120.300 -0.143 0.000 2.526 331 Y HA 0.520 4.656 4.550 -0.689 0.000 0.330 331 Y C 0.345 176.215 175.900 -0.050 0.000 1.156 331 Y CA -0.366 57.730 58.100 -0.008 0.000 1.419 331 Y CB 0.829 39.309 38.460 0.033 0.000 1.250 331 Y HN 0.655 nan 8.280 nan 0.000 0.540 332 N N 5.539 123.945 118.700 -0.491 0.000 2.531 332 N HA 0.068 4.395 4.740 -0.688 0.000 0.268 332 N C -0.333 174.800 175.510 -0.627 0.000 1.023 332 N CA -0.497 52.264 53.050 -0.482 0.000 0.896 332 N CB 0.355 38.707 38.487 -0.224 0.000 1.233 332 N HN 0.840 nan 8.380 nan 0.000 0.512 333 N N 1.687 119.954 118.700 -0.722 0.000 2.449 333 N HA -0.006 4.322 4.740 -0.688 0.000 0.191 333 N C 0.025 175.440 175.510 -0.158 0.000 1.161 333 N CA 0.028 52.805 53.050 -0.455 0.000 0.863 333 N CB 0.122 38.411 38.487 -0.330 0.000 0.980 333 N HN 0.189 nan 8.380 nan 0.000 0.458 334 S N -0.316 115.297 115.700 -0.146 0.000 2.496 334 S HA 0.106 4.163 4.470 -0.688 0.000 0.224 334 S C 0.684 175.261 174.600 -0.037 0.000 0.996 334 S CA -0.292 57.866 58.200 -0.070 0.000 0.927 334 S CB 0.251 63.408 63.200 -0.072 0.000 0.774 334 S HN 0.176 nan 8.310 nan 0.000 0.524 335 V N 3.382 123.270 119.914 -0.043 0.000 2.488 335 V HA 0.183 3.891 4.120 -0.688 0.000 0.277 335 V C 0.084 176.212 176.094 0.058 0.000 1.046 335 V CA -0.792 61.509 62.300 0.001 0.000 0.986 335 V CB 0.857 32.680 31.823 -0.000 0.000 0.989 335 V HN 0.156 nan 8.190 nan 0.000 0.475 336 D N 7.679 128.114 120.400 0.058 0.000 2.359 336 D HA 0.186 4.413 4.640 -0.688 0.000 0.250 336 D C -1.084 175.273 176.300 0.094 0.000 1.264 336 D CA -1.997 52.056 54.000 0.088 0.000 0.911 336 D CB 1.429 42.285 40.800 0.094 0.000 1.056 336 D HN 0.304 nan 8.370 nan 0.000 0.499 337 P HA -0.050 nan 4.420 nan 0.000 0.233 337 P C 0.178 177.398 177.300 -0.133 0.000 1.167 337 P CA 0.087 63.190 63.100 0.006 0.000 0.770 337 P CB 0.336 32.071 31.700 0.057 0.000 0.837 338 R N 0.354 120.816 120.500 -0.063 0.000 2.697 338 R HA 0.092 4.020 4.340 -0.688 0.000 0.265 338 R C 0.679 176.941 176.300 -0.064 0.000 1.009 338 R CA -0.105 55.955 56.100 -0.067 0.000 1.099 338 R CB 0.193 30.507 30.300 0.023 0.000 0.965 338 R HN 0.079 nan 8.270 nan 0.000 0.428 339 I N 2.285 122.783 120.570 -0.119 0.000 2.441 339 I HA 0.002 3.759 4.170 -0.688 0.000 0.287 339 I C 0.989 177.012 176.117 -0.156 0.000 1.049 339 I CA 0.217 61.404 61.300 -0.187 0.000 1.381 339 I CB 1.119 39.041 38.000 -0.129 0.000 1.409 339 I HN 0.697 nan 8.210 nan 0.000 0.523 340 S N 5.040 120.530 115.700 -0.350 0.000 2.601 340 S HA 0.170 4.227 4.470 -0.688 0.000 0.271 340 S C 1.044 175.490 174.600 -0.257 0.000 1.305 340 S CA -0.623 57.283 58.200 -0.489 0.000 1.022 340 S CB 1.404 63.701 63.200 -1.506 0.000 0.940 340 S HN 0.609 nan 8.310 nan 0.000 0.525 341 N N 0.771 119.400 118.700 -0.119 0.000 2.094 341 N HA -0.136 4.191 4.740 -0.688 0.000 0.191 341 N C 1.607 177.172 175.510 0.092 0.000 1.023 341 N CA 1.471 54.569 53.050 0.080 0.000 0.857 341 N CB -0.700 37.914 38.487 0.212 0.000 1.013 341 N HN 0.564 nan 8.380 nan 0.000 0.426 342 V N 0.440 120.276 119.914 -0.130 0.000 2.759 342 V HA -0.124 3.583 4.120 -0.688 0.000 0.256 342 V C 1.885 177.850 176.094 -0.216 0.000 1.080 342 V CA 1.012 63.161 62.300 -0.252 0.000 1.101 342 V CB -0.710 30.504 31.823 -1.015 0.000 0.698 342 V HN 0.241 nan 8.190 nan 0.000 0.477 343 F N 1.775 121.468 119.950 -0.427 0.000 2.186 343 F HA -0.118 4.010 4.527 -0.665 0.000 0.299 343 F C 2.600 178.310 175.800 -0.150 0.000 1.090 343 F CA 2.073 59.876 58.000 -0.329 0.000 1.307 343 F CB -0.595 38.153 39.000 -0.420 0.000 1.019 343 F HN 0.356 nan 8.300 nan 0.000 0.489 344 T N -2.200 112.261 114.554 -0.155 0.000 3.051 344 T HA -0.158 3.780 4.350 -0.688 0.000 0.269 344 T C 1.569 175.925 174.700 -0.573 0.000 1.127 344 T CA 1.378 63.267 62.100 -0.351 0.000 1.107 344 T CB -0.922 67.706 68.868 -0.401 0.000 0.898 344 T HN 0.292 nan 8.240 nan 0.000 0.517 345 F N 0.819 120.684 119.950 -0.141 0.000 2.500 345 F HA 0.567 4.696 4.527 -0.663 0.000 0.285 345 F C 2.790 178.611 175.800 0.034 0.000 1.088 345 F CA -0.005 57.965 58.000 -0.050 0.000 1.432 345 F CB -0.579 38.404 39.000 -0.029 0.000 1.131 345 F HN 0.180 nan 8.300 nan 0.000 0.582 346 A N 0.011 122.869 122.820 0.063 0.000 1.972 346 A HA -0.212 3.695 4.320 -0.688 0.000 0.219 346 A C 1.920 179.608 177.584 0.174 0.000 1.169 346 A CA 1.292 53.351 52.037 0.036 0.000 0.635 346 A CB -1.060 17.873 19.000 -0.111 0.000 0.810 346 A HN 0.371 nan 8.150 nan 0.000 0.446 347 F N 0.644 120.427 119.950 -0.278 0.000 2.748 347 F HA 0.111 4.511 4.527 -0.211 0.000 0.299 347 F C 1.663 177.264 175.800 -0.332 0.000 1.154 347 F CA 0.102 57.950 58.000 -0.253 0.000 1.446 347 F CB -0.345 38.249 39.000 -0.676 0.000 1.112 347 F HN 0.198 nan 8.300 nan 0.000 0.584 348 R N 0.178 120.656 120.500 -0.037 0.000 2.391 348 R HA -0.073 3.855 4.340 -0.688 0.000 0.225 348 R C 1.653 177.995 176.300 0.071 0.000 1.079 348 R CA 0.266 56.220 56.100 -0.245 0.000 1.147 348 R CB -0.946 29.291 30.300 -0.105 0.000 1.103 348 R HN 0.382 nan 8.270 nan 0.000 0.499 349 F N -1.833 118.181 119.950 0.107 0.000 2.325 349 F HA 0.161 4.326 4.527 -0.604 0.000 0.299 349 F C 2.003 177.857 175.800 0.091 0.000 1.090 349 F CA 0.514 58.573 58.000 0.098 0.000 1.392 349 F CB -0.822 38.222 39.000 0.073 0.000 1.053 349 F HN -0.107 nan 8.300 nan 0.000 0.521 350 G N 0.389 108.689 108.800 -0.834 0.000 2.469 350 G HA2 -0.316 3.231 3.960 -0.688 0.000 0.220 350 G HA3 -0.316 3.231 3.960 -0.688 0.000 0.220 350 G C 1.250 176.076 174.900 -0.124 0.000 1.136 350 G CA 1.353 46.102 45.100 -0.584 0.000 0.759 350 G HN 0.623 nan 8.290 nan 0.000 0.562 351 H N -0.443 118.634 119.070 0.012 0.000 2.489 351 H HA 0.053 4.206 4.556 -0.671 0.000 0.295 351 H C 2.327 177.775 175.328 0.199 0.000 1.082 351 H CA 0.909 57.034 56.048 0.129 0.000 1.295 351 H CB -0.018 29.881 29.762 0.229 0.000 1.380 351 H HN 0.359 nan 8.280 nan 0.000 0.548 352 M N -0.034 119.758 119.600 0.321 0.000 2.428 352 M HA 0.008 4.076 4.480 -0.688 0.000 0.239 352 M C 0.705 177.136 176.300 0.219 0.000 1.121 352 M CA 0.657 56.118 55.300 0.269 0.000 1.019 352 M CB 0.519 33.249 32.600 0.217 0.000 1.485 352 M HN 0.290 nan 8.290 nan 0.000 0.484 353 E N 0.202 120.518 120.200 0.194 0.000 2.481 353 E HA 0.114 4.051 4.350 -0.688 0.000 0.198 353 E C 0.016 176.719 176.600 0.171 0.000 1.027 353 E CA -0.096 56.418 56.400 0.190 0.000 0.900 353 E CB 0.739 30.550 29.700 0.186 0.000 0.993 353 E HN 0.165 nan 8.360 nan 0.000 0.482 354 V N 4.776 124.794 119.914 0.174 0.000 2.508 354 V HA 0.121 3.828 4.120 -0.688 0.000 0.281 354 V C -1.840 174.363 176.094 0.180 0.000 1.041 354 V CA -1.260 61.139 62.300 0.164 0.000 1.016 354 V CB 0.469 32.397 31.823 0.174 0.000 0.984 354 V HN 0.072 nan 8.190 nan 0.000 0.478 355 P HA 0.269 nan 4.420 nan 0.000 0.283 355 P C 0.567 177.949 177.300 0.137 0.000 1.278 355 P CA -0.584 62.609 63.100 0.155 0.000 0.834 355 P CB 1.434 33.213 31.700 0.132 0.000 1.150 356 S N -1.255 114.524 115.700 0.131 0.000 2.461 356 S HA 0.033 4.090 4.470 -0.688 0.000 0.228 356 S C 0.921 175.562 174.600 0.069 0.000 1.005 356 S CA 0.802 59.066 58.200 0.108 0.000 0.942 356 S CB -1.113 62.150 63.200 0.105 0.000 0.776 356 S HN 0.755 nan 8.310 nan 0.000 0.514 357 T N -1.219 113.370 114.554 0.058 0.000 2.906 357 T HA 0.752 4.689 4.350 -0.688 0.000 0.295 357 T C -0.926 173.783 174.700 0.016 0.000 1.075 357 T CA -0.805 61.309 62.100 0.024 0.000 1.005 357 T CB 1.868 70.754 68.868 0.029 0.000 1.136 357 T HN -0.000 nan 8.240 nan 0.000 0.498 358 V N 1.487 121.392 119.914 -0.015 0.000 2.680 358 V HA 0.707 4.414 4.120 -0.688 0.000 0.309 358 V C -0.167 175.920 176.094 -0.011 0.000 1.052 358 V CA -0.701 61.590 62.300 -0.016 0.000 0.908 358 V CB 2.186 33.980 31.823 -0.049 0.000 1.001 358 V HN 1.128 nan 8.190 nan 0.000 0.431 359 S N 3.064 118.767 115.700 0.005 0.000 2.532 359 S HA 0.756 4.814 4.470 -0.688 0.000 0.301 359 S C -0.580 174.018 174.600 -0.003 0.000 1.083 359 S CA -0.770 57.440 58.200 0.017 0.000 1.025 359 S CB 1.700 64.925 63.200 0.041 0.000 1.056 359 S HN 0.662 nan 8.310 nan 0.000 0.494 360 R N 1.461 121.970 120.500 0.014 0.000 2.494 360 R HA 0.699 4.626 4.340 -0.688 0.000 0.305 360 R C -1.216 175.106 176.300 0.036 0.000 0.959 360 R CA -0.307 55.771 56.100 -0.036 0.000 0.864 360 R CB 0.960 31.228 30.300 -0.053 0.000 1.159 360 R HN 0.464 nan 8.270 nan 0.000 0.446 361 L N 2.363 123.539 121.223 -0.078 0.000 2.386 361 L HA 0.463 4.390 4.340 -0.688 0.000 0.271 361 L C -0.218 176.561 176.870 -0.151 0.000 0.993 361 L CA -1.250 53.549 54.840 -0.067 0.000 0.819 361 L CB 1.936 43.913 42.059 -0.136 0.000 1.294 361 L HN 0.679 nan 8.230 nan 0.000 0.414 362 D N 0.717 121.131 120.400 0.023 0.000 2.274 362 D HA -0.042 4.186 4.640 -0.688 0.000 0.256 362 D C 0.716 176.871 176.300 -0.241 0.000 1.274 362 D CA -0.214 53.815 54.000 0.048 0.000 0.998 362 D CB 0.437 41.342 40.800 0.174 0.000 1.139 362 D HN 0.571 nan 8.370 nan 0.000 0.540 363 E N -1.139 118.969 120.200 -0.153 0.000 2.478 363 E HA -0.102 3.835 4.350 -0.688 0.000 0.198 363 E C 0.339 176.803 176.600 -0.226 0.000 1.046 363 E CA 0.576 56.849 56.400 -0.211 0.000 0.870 363 E CB -0.682 28.968 29.700 -0.082 0.000 0.818 363 E HN 0.454 nan 8.360 nan 0.000 0.527 364 N N -0.274 118.309 118.700 -0.196 0.000 2.214 364 N HA 0.080 4.407 4.740 -0.688 0.000 0.214 364 N C -0.863 174.497 175.510 -0.251 0.000 1.132 364 N CA -0.212 52.765 53.050 -0.122 0.000 0.856 364 N CB 0.194 38.700 38.487 0.031 0.000 1.020 364 N HN 0.050 nan 8.380 nan 0.000 0.509 365 Y N -0.132 119.878 120.300 -0.483 0.000 3.929 365 Y HA -0.269 3.867 4.550 -0.690 0.000 0.225 365 Y C -0.119 175.668 175.900 -0.188 0.000 1.200 365 Y CA 0.289 58.126 58.100 -0.438 0.000 1.791 365 Y CB -1.845 36.125 38.460 -0.817 0.000 1.561 365 Y HN 0.235 nan 8.280 nan 0.000 0.657 366 Q N 0.013 119.792 119.800 -0.036 0.000 2.226 366 Q HA 0.433 4.361 4.340 -0.688 0.000 0.256 366 Q C -2.174 173.851 176.000 0.041 0.000 0.962 366 Q CA -2.442 53.375 55.803 0.023 0.000 0.887 366 Q CB 0.799 29.553 28.738 0.027 0.000 1.282 366 Q HN -0.081 nan 8.270 nan 0.000 0.449 367 P HA -0.149 nan 4.420 nan 0.000 0.259 367 P C -0.779 176.589 177.300 0.113 0.000 1.155 367 P CA 0.592 63.739 63.100 0.078 0.000 0.759 367 P CB 0.165 31.895 31.700 0.049 0.000 0.753 368 W N 6.029 127.300 121.300 -0.048 0.000 2.228 368 W HA 0.491 4.741 4.660 -0.684 0.000 0.364 368 W C 0.452 176.952 176.519 -0.031 0.000 0.917 368 W CA 0.973 58.289 57.345 -0.049 0.000 1.513 368 W CB -0.085 29.337 29.460 -0.063 0.000 1.494 368 W HN 0.785 nan 8.180 nan 0.000 0.346 369 G N 5.146 113.781 108.800 -0.275 0.000 2.655 369 G HA2 -0.235 3.312 3.960 -0.688 0.000 0.680 369 G HA3 -0.235 3.312 3.960 -0.688 0.000 0.680 369 G C -1.404 173.417 174.900 -0.131 0.000 1.302 369 G CA -0.491 44.410 45.100 -0.332 0.000 0.872 369 G HN 0.254 nan 8.290 nan 0.000 0.540 370 P HA 0.018 nan 4.420 nan 0.000 0.220 370 P C 0.585 177.874 177.300 -0.019 0.000 1.148 370 P CA 1.648 64.714 63.100 -0.057 0.000 0.803 370 P CB 0.065 31.731 31.700 -0.055 0.000 0.782 371 E N -0.847 119.352 120.200 -0.002 0.000 3.846 371 E HA 0.436 4.373 4.350 -0.688 0.000 0.216 371 E C 0.932 177.566 176.600 0.057 0.000 1.092 371 E CA -0.335 56.079 56.400 0.024 0.000 1.370 371 E CB 0.549 30.266 29.700 0.028 0.000 1.227 371 E HN 0.027 nan 8.360 nan 0.000 0.442 372 A N 1.305 124.165 122.820 0.068 0.000 1.972 372 A HA -0.150 3.757 4.320 -0.688 0.000 0.219 372 A C 1.131 178.759 177.584 0.074 0.000 1.169 372 A CA 1.012 53.120 52.037 0.119 0.000 0.635 372 A CB 0.060 19.131 19.000 0.118 0.000 0.810 372 A HN 0.352 nan 8.150 nan 0.000 0.446 373 E N -0.011 120.214 120.200 0.042 0.000 2.145 373 E HA 0.574 4.512 4.350 -0.688 0.000 0.270 373 E C -1.500 175.099 176.600 -0.002 0.000 0.906 373 E CA -0.425 55.988 56.400 0.021 0.000 0.761 373 E CB 0.673 30.390 29.700 0.029 0.000 1.116 373 E HN 0.374 nan 8.360 nan 0.000 0.408 374 L N 5.492 126.698 121.223 -0.030 0.000 2.342 374 L HA 0.510 4.437 4.340 -0.688 0.000 0.271 374 L C -2.286 174.532 176.870 -0.086 0.000 1.008 374 L CA -2.591 52.207 54.840 -0.070 0.000 0.818 374 L CB 1.997 43.989 42.059 -0.112 0.000 1.296 374 L HN 0.472 nan 8.230 nan 0.000 0.427 375 P HA 0.002 nan 4.420 nan 0.000 0.267 375 P C 0.783 177.954 177.300 -0.215 0.000 1.205 375 P CA -0.110 62.923 63.100 -0.110 0.000 0.765 375 P CB 0.735 32.367 31.700 -0.114 0.000 0.828 376 L N 3.973 125.113 121.223 -0.140 0.000 2.081 376 L HA -0.222 3.705 4.340 -0.688 0.000 0.212 376 L C 2.183 178.705 176.870 -0.579 0.000 1.080 376 L CA 1.916 56.604 54.840 -0.254 0.000 0.754 376 L CB -0.642 41.366 42.059 -0.085 0.000 0.893 376 L HN 0.649 nan 8.230 nan 0.000 0.433 377 H N -1.603 117.229 119.070 -0.398 0.000 2.521 377 H HA -0.084 4.058 4.556 -0.690 0.000 0.286 377 H C 1.576 176.694 175.328 -0.350 0.000 1.034 377 H CA 1.381 57.175 56.048 -0.424 0.000 1.278 377 H CB -0.571 29.227 29.762 0.060 0.000 1.386 377 H HN 0.429 nan 8.280 nan 0.000 0.567 378 T N -1.266 112.854 114.554 -0.724 0.000 3.129 378 T HA 0.216 4.153 4.350 -0.688 0.000 0.251 378 T C 1.517 176.027 174.700 -0.316 0.000 1.117 378 T CA -0.187 61.630 62.100 -0.472 0.000 1.034 378 T CB -0.277 68.329 68.868 -0.437 0.000 0.968 378 T HN 0.320 nan 8.240 nan 0.000 0.526 379 L N -0.193 120.763 121.223 -0.446 0.000 2.906 379 L HA 0.477 4.404 4.340 -0.688 0.000 0.255 379 L C -0.463 176.274 176.870 -0.222 0.000 1.166 379 L CA -0.645 53.994 54.840 -0.334 0.000 0.977 379 L CB 0.140 42.008 42.059 -0.318 0.000 1.313 379 L HN 0.143 nan 8.230 nan 0.000 0.549 380 F N 0.429 120.395 119.950 0.027 0.000 2.504 380 F HA 0.220 4.333 4.527 -0.690 0.000 0.369 380 F C 0.685 176.528 175.800 0.071 0.000 1.082 380 F CA -0.940 57.084 58.000 0.040 0.000 1.216 380 F CB -0.444 38.727 39.000 0.285 0.000 1.108 380 F HN -0.050 nan 8.300 nan 0.000 0.554 381 F N 1.109 121.133 119.950 0.123 0.000 2.969 381 F HA -0.307 3.814 4.527 -0.677 0.000 0.273 381 F C 0.386 176.145 175.800 -0.068 0.000 0.986 381 F CA 0.181 58.180 58.000 -0.002 0.000 0.926 381 F CB -1.198 37.797 39.000 -0.008 0.000 0.887 381 F HN 0.495 nan 8.300 nan 0.000 0.816 382 N N 0.716 119.402 118.700 -0.023 0.000 2.626 382 N HA 0.284 4.611 4.740 -0.688 0.000 0.249 382 N C 0.712 176.090 175.510 -0.220 0.000 1.021 382 N CA 0.410 53.396 53.050 -0.108 0.000 0.886 382 N CB 1.048 39.420 38.487 -0.192 0.000 1.149 382 N HN 0.260 nan 8.380 nan 0.000 0.517 383 T N -0.934 113.494 114.554 -0.210 0.000 3.001 383 T HA 0.044 3.981 4.350 -0.688 0.000 0.251 383 T C 1.734 176.311 174.700 -0.205 0.000 1.040 383 T CA -0.411 61.489 62.100 -0.332 0.000 0.985 383 T CB -0.278 68.216 68.868 -0.622 0.000 1.011 383 T HN 0.597 nan 8.240 nan 0.000 0.509 384 W N 2.218 123.418 121.300 -0.168 0.000 2.436 384 W HA 0.129 4.378 4.660 -0.685 0.000 0.284 384 W C 1.285 177.759 176.519 -0.074 0.000 1.225 384 W CA -0.104 57.169 57.345 -0.121 0.000 1.271 384 W CB -0.625 28.765 29.460 -0.117 0.000 1.114 384 W HN 0.055 nan 8.180 nan 0.000 0.559 385 R N 1.050 120.935 120.500 -1.026 0.000 2.285 385 R HA 0.001 3.929 4.340 -0.688 0.000 0.213 385 R C 1.889 177.969 176.300 -0.366 0.000 1.068 385 R CA 0.892 56.457 56.100 -0.892 0.000 1.004 385 R CB -0.315 29.421 30.300 -0.941 0.000 0.873 385 R HN 0.428 nan 8.270 nan 0.000 0.467 386 I N -0.300 120.126 120.570 -0.240 0.000 2.681 386 I HA -0.124 3.634 4.170 -0.688 0.000 0.247 386 I C 1.970 178.059 176.117 -0.046 0.000 1.091 386 I CA 0.380 61.618 61.300 -0.103 0.000 1.442 386 I CB -0.094 37.891 38.000 -0.026 0.000 1.219 386 I HN -0.075 nan 8.210 nan 0.000 0.451 387 I N 0.950 121.470 120.570 -0.083 0.000 2.315 387 I HA -0.209 3.548 4.170 -0.688 0.000 0.248 387 I C 1.813 177.990 176.117 0.100 0.000 1.117 387 I CA 1.610 62.885 61.300 -0.041 0.000 1.404 387 I CB -0.754 37.250 38.000 0.007 0.000 1.071 387 I HN 0.175 nan 8.210 nan 0.000 0.419 388 K N 0.202 120.682 120.400 0.133 0.000 2.537 388 K HA 0.069 3.976 4.320 -0.688 0.000 0.206 388 K C -0.195 176.539 176.600 0.224 0.000 1.041 388 K CA 0.176 56.588 56.287 0.208 0.000 1.090 388 K CB 0.261 32.939 32.500 0.296 0.000 0.833 388 K HN -0.054 nan 8.250 nan 0.000 0.493 389 D N -1.157 119.335 120.400 0.153 0.000 3.120 389 D HA 0.202 4.430 4.640 -0.688 0.000 0.331 389 D C 0.353 176.768 176.300 0.192 0.000 1.595 389 D CA 0.705 54.825 54.000 0.199 0.000 0.771 389 D CB 0.278 41.126 40.800 0.080 0.000 1.274 389 D HN 0.192 nan 8.370 nan 0.000 0.503 390 G N -0.493 108.402 108.800 0.158 0.000 2.231 390 G HA2 0.218 3.766 3.960 -0.688 0.000 0.206 390 G HA3 0.218 3.766 3.960 -0.688 0.000 0.206 390 G C 1.033 175.853 174.900 -0.133 0.000 0.996 390 G CA 0.463 45.530 45.100 -0.055 0.000 0.645 390 G HN 1.309 nan 8.290 nan 0.000 0.498 391 G N -0.236 108.539 108.800 -0.041 0.000 2.693 391 G HA2 0.012 3.559 3.960 -0.688 0.000 0.226 391 G HA3 0.012 3.559 3.960 -0.688 0.000 0.226 391 G C 1.008 175.887 174.900 -0.034 0.000 1.354 391 G CA 0.791 45.919 45.100 0.047 0.000 0.873 391 G HN 1.787 nan 8.290 nan 0.000 0.562 392 I N -2.612 117.966 120.570 0.013 0.000 3.030 392 I HA 0.189 3.946 4.170 -0.688 0.000 0.270 392 I C 1.721 177.785 176.117 -0.089 0.000 1.211 392 I CA 1.810 63.096 61.300 -0.024 0.000 1.479 392 I CB -0.203 37.807 38.000 0.016 0.000 1.105 392 I HN 0.349 nan 8.210 nan 0.000 0.447 393 D N 2.594 122.934 120.400 -0.101 0.000 2.116 393 D HA -0.125 4.103 4.640 -0.688 0.000 0.193 393 D C -0.385 175.783 176.300 -0.220 0.000 0.998 393 D CA 1.875 55.799 54.000 -0.127 0.000 0.836 393 D CB -1.551 39.202 40.800 -0.079 0.000 0.951 393 D HN 0.353 nan 8.370 nan 0.000 0.449 394 P HA -0.063 nan 4.420 nan 0.000 0.217 394 P C 1.613 178.750 177.300 -0.271 0.000 1.150 394 P CA 0.810 63.633 63.100 -0.462 0.000 0.832 394 P CB 0.006 31.163 31.700 -0.904 0.000 0.787 395 L N -1.417 119.682 121.223 -0.207 0.000 2.093 395 L HA -0.122 3.805 4.340 -0.688 0.000 0.208 395 L C 2.375 179.221 176.870 -0.040 0.000 1.085 395 L CA 1.164 55.939 54.840 -0.108 0.000 0.755 395 L CB -1.058 40.949 42.059 -0.087 0.000 0.904 395 L HN -0.151 nan 8.230 nan 0.000 0.435 396 V N -0.362 119.531 119.914 -0.035 0.000 2.358 396 V HA -0.235 3.472 4.120 -0.688 0.000 0.246 396 V C 2.625 178.762 176.094 0.072 0.000 1.047 396 V CA 1.572 63.892 62.300 0.034 0.000 1.035 396 V CB -0.579 31.255 31.823 0.018 0.000 0.658 396 V HN 0.380 nan 8.190 nan 0.000 0.452 397 R N 0.126 120.625 120.500 -0.003 0.000 2.091 397 R HA -0.134 3.794 4.340 -0.688 0.000 0.238 397 R C 2.486 178.888 176.300 0.170 0.000 1.136 397 R CA 1.541 57.672 56.100 0.052 0.000 0.959 397 R CB -0.896 29.171 30.300 -0.389 0.000 0.856 397 R HN 0.599 nan 8.270 nan 0.000 0.437 398 G N 1.244 110.080 108.800 0.059 0.000 2.446 398 G HA2 -0.263 3.284 3.960 -0.688 0.000 0.217 398 G HA3 -0.263 3.284 3.960 -0.688 0.000 0.217 398 G C 1.436 176.407 174.900 0.119 0.000 1.168 398 G CA 0.610 45.760 45.100 0.084 0.000 0.771 398 G HN 0.163 nan 8.290 nan 0.000 0.551 399 L N -0.288 120.998 121.223 0.106 0.000 2.081 399 L HA -0.080 3.847 4.340 -0.688 0.000 0.212 399 L C 2.866 179.813 176.870 0.128 0.000 1.080 399 L CA 0.768 55.671 54.840 0.105 0.000 0.754 399 L CB -0.255 41.865 42.059 0.102 0.000 0.893 399 L HN 0.221 nan 8.230 nan 0.000 0.433 400 L N -1.357 119.987 121.223 0.201 0.000 2.162 400 L HA -0.015 3.912 4.340 -0.688 0.000 0.205 400 L C 2.483 179.518 176.870 0.275 0.000 1.086 400 L CA 0.855 55.831 54.840 0.227 0.000 0.778 400 L CB -0.412 41.856 42.059 0.348 0.000 0.928 400 L HN 0.158 nan 8.230 nan 0.000 0.446 401 A N -1.443 121.570 122.820 0.322 0.000 2.220 401 A HA 0.119 4.026 4.320 -0.688 0.000 0.211 401 A C 0.875 178.576 177.584 0.195 0.000 1.176 401 A CA 0.247 52.459 52.037 0.292 0.000 0.834 401 A CB 0.144 19.312 19.000 0.279 0.000 0.868 401 A HN -0.021 nan 8.150 nan 0.000 0.488 402 K N 1.025 121.523 120.400 0.162 0.000 2.106 402 K HA 0.376 4.283 4.320 -0.688 0.000 0.246 402 K C -0.909 175.765 176.600 0.123 0.000 0.987 402 K CA -0.761 55.603 56.287 0.129 0.000 0.904 402 K CB 0.438 33.003 32.500 0.109 0.000 1.071 402 K HN 0.130 nan 8.250 nan 0.000 0.453 403 N N -0.044 118.725 118.700 0.115 0.000 2.508 403 N HA 0.193 4.520 4.740 -0.688 0.000 0.285 403 N C -0.161 175.431 175.510 0.136 0.000 1.144 403 N CA -0.125 52.996 53.050 0.118 0.000 0.978 403 N CB 0.921 39.471 38.487 0.103 0.000 1.180 403 N HN 0.312 nan 8.380 nan 0.000 0.484 404 S N 0.322 116.125 115.700 0.171 0.000 2.617 404 S HA 0.092 4.149 4.470 -0.688 0.000 0.259 404 S C 0.494 175.199 174.600 0.174 0.000 1.301 404 S CA -0.371 57.949 58.200 0.201 0.000 0.984 404 S CB 0.672 64.063 63.200 0.317 0.000 0.954 404 S HN 0.418 nan 8.310 nan 0.000 0.572 405 K N 0.874 121.381 120.400 0.179 0.000 2.174 405 K HA 0.344 4.251 4.320 -0.688 0.000 0.275 405 K C -0.856 175.843 176.600 0.165 0.000 1.015 405 K CA -0.576 55.807 56.287 0.159 0.000 0.933 405 K CB 0.480 33.082 32.500 0.170 0.000 1.025 405 K HN 0.361 nan 8.250 nan 0.000 0.463 406 L N 4.376 125.671 121.223 0.120 0.000 2.350 406 L HA 0.243 4.170 4.340 -0.688 0.000 0.275 406 L C -0.105 176.818 176.870 0.088 0.000 1.099 406 L CA -0.217 54.688 54.840 0.109 0.000 0.808 406 L CB 1.180 43.279 42.059 0.066 0.000 1.149 406 L HN 0.722 nan 8.230 nan 0.000 0.442 407 M N 5.520 125.184 119.600 0.107 0.000 2.307 407 M HA 0.096 4.163 4.480 -0.688 0.000 0.346 407 M C -0.811 175.502 176.300 0.021 0.000 1.552 407 M CA 0.655 56.002 55.300 0.079 0.000 1.116 407 M CB -0.834 31.828 32.600 0.104 0.000 1.889 407 M HN 0.644 nan 8.290 nan 0.000 0.460 408 N N 4.025 122.713 118.700 -0.020 0.000 2.354 408 N HA 0.216 4.543 4.740 -0.688 0.000 0.287 408 N C 0.321 175.796 175.510 -0.059 0.000 1.016 408 N CA -0.185 52.830 53.050 -0.058 0.000 0.871 408 N CB 1.387 39.801 38.487 -0.122 0.000 1.299 408 N HN 0.644 nan 8.380 nan 0.000 0.482 409 Q N 1.300 121.075 119.800 -0.042 0.000 2.181 409 Q HA -0.092 3.836 4.340 -0.688 0.000 0.205 409 Q C 0.461 176.442 176.000 -0.031 0.000 0.980 409 Q CA 1.410 57.191 55.803 -0.035 0.000 0.862 409 Q CB 0.179 28.901 28.738 -0.028 0.000 0.905 409 Q HN 0.518 nan 8.270 nan 0.000 0.429 410 N N 0.174 118.845 118.700 -0.048 0.000 2.373 410 N HA 0.027 4.354 4.740 -0.688 0.000 0.181 410 N C -0.353 175.109 175.510 -0.081 0.000 1.082 410 N CA 0.632 53.659 53.050 -0.038 0.000 0.885 410 N CB 0.579 39.046 38.487 -0.033 0.000 0.977 410 N HN 0.112 nan 8.380 nan 0.000 0.462 411 K N 0.338 120.613 120.400 -0.209 0.000 2.752 411 K HA 0.352 4.259 4.320 -0.688 0.000 0.199 411 K C 0.384 176.792 176.600 -0.320 0.000 1.069 411 K CA -0.061 55.872 56.287 -0.591 0.000 1.033 411 K CB 1.311 33.120 32.500 -1.151 0.000 1.229 411 K HN -0.098 nan 8.250 nan 0.000 0.572 412 M N 0.117 119.756 119.600 0.066 0.000 2.142 412 M HA 0.050 4.117 4.480 -0.688 0.000 0.256 412 M C 0.539 177.013 176.300 0.291 0.000 1.098 412 M CA 1.086 56.472 55.300 0.143 0.000 1.151 412 M CB 0.400 33.069 32.600 0.114 0.000 1.299 412 M HN 0.052 nan 8.290 nan 0.000 0.431 413 V N 0.481 120.640 119.914 0.407 0.000 2.487 413 V HA 0.189 3.897 4.120 -0.688 0.000 0.298 413 V C 0.058 176.372 176.094 0.365 0.000 1.028 413 V CA -0.807 61.728 62.300 0.391 0.000 0.860 413 V CB 1.534 33.566 31.823 0.349 0.000 0.991 413 V HN 0.297 nan 8.190 nan 0.000 0.427 414 T N 2.976 117.723 114.554 0.323 0.000 2.939 414 T HA -0.012 3.925 4.350 -0.688 0.000 0.319 414 T C 1.425 176.117 174.700 -0.014 0.000 1.082 414 T CA 0.536 62.675 62.100 0.064 0.000 1.133 414 T CB 0.656 69.623 68.868 0.166 0.000 1.019 414 T HN 0.838 nan 8.240 nan 0.000 0.548 415 S N 3.247 118.857 115.700 -0.150 0.000 2.469 415 S HA -0.074 3.983 4.470 -0.688 0.000 0.238 415 S C 1.885 176.505 174.600 0.034 0.000 0.998 415 S CA 0.533 58.691 58.200 -0.070 0.000 0.957 415 S CB -0.113 63.012 63.200 -0.125 0.000 0.764 415 S HN 0.694 nan 8.310 nan 0.000 0.514 416 E N 1.255 121.511 120.200 0.093 0.000 2.150 416 E HA -0.010 3.927 4.350 -0.688 0.000 0.193 416 E C 1.796 178.594 176.600 0.331 0.000 0.985 416 E CA 0.764 57.290 56.400 0.211 0.000 0.814 416 E CB -0.202 29.629 29.700 0.219 0.000 0.752 416 E HN 0.500 nan 8.360 nan 0.000 0.466 417 L N -0.437 120.933 121.223 0.245 0.000 2.408 417 L HA 0.135 4.062 4.340 -0.688 0.000 0.215 417 L C 2.548 179.492 176.870 0.123 0.000 1.081 417 L CA 0.190 55.147 54.840 0.196 0.000 0.840 417 L CB 0.023 42.166 42.059 0.141 0.000 1.002 417 L HN -0.054 nan 8.230 nan 0.000 0.468 418 R N -0.262 120.304 120.500 0.110 0.000 2.173 418 R HA 0.032 3.959 4.340 -0.688 0.000 0.208 418 R C 1.344 177.690 176.300 0.077 0.000 1.035 418 R CA 0.696 56.849 56.100 0.088 0.000 1.004 418 R CB 0.378 30.727 30.300 0.082 0.000 0.917 418 R HN 0.363 nan 8.270 nan 0.000 0.462 419 N N -0.567 118.176 118.700 0.071 0.000 2.430 419 N HA 0.037 4.364 4.740 -0.688 0.000 0.235 419 N C 0.284 175.848 175.510 0.090 0.000 1.108 419 N CA 0.369 53.451 53.050 0.053 0.000 0.834 419 N CB 0.604 39.090 38.487 -0.001 0.000 1.430 419 N HN 0.020 nan 8.380 nan 0.000 0.463 420 K N 1.078 121.549 120.400 0.119 0.000 2.437 420 K HA 0.217 4.125 4.320 -0.688 0.000 0.205 420 K C 0.134 177.006 176.600 0.453 0.000 1.026 420 K CA -0.298 56.096 56.287 0.178 0.000 1.153 420 K CB 0.581 33.018 32.500 -0.105 0.000 0.863 420 K HN -0.004 nan 8.250 nan 0.000 0.502 421 L N 1.072 122.529 121.223 0.390 0.000 2.483 421 L HA 0.160 4.087 4.340 -0.688 0.000 0.276 421 L C -0.388 176.713 176.870 0.385 0.000 1.213 421 L CA 0.084 55.117 54.840 0.322 0.000 0.843 421 L CB 0.251 42.341 42.059 0.052 0.000 1.107 421 L HN -0.018 nan 8.230 nan 0.000 0.487 422 F N 4.008 124.041 119.950 0.138 0.000 2.422 422 F HA 0.486 4.597 4.527 -0.694 0.000 0.333 422 F C -0.300 175.428 175.800 -0.120 0.000 1.095 422 F CA -0.305 57.745 58.000 0.082 0.000 1.038 422 F CB 1.070 40.216 39.000 0.244 0.000 1.156 422 F HN 0.442 nan 8.300 nan 0.000 0.483 423 Q N 6.481 125.787 119.800 -0.824 0.000 2.353 423 Q HA 0.278 4.205 4.340 -0.688 0.000 0.268 423 Q C -2.060 173.408 176.000 -0.886 0.000 1.045 423 Q CA -1.892 53.481 55.803 -0.716 0.000 0.811 423 Q CB 2.071 30.212 28.738 -0.995 0.000 1.305 423 Q HN 0.381 nan 8.270 nan 0.000 0.447 424 P HA -0.152 nan 4.420 nan 0.000 0.216 424 P C 0.978 177.896 177.300 -0.637 0.000 1.153 424 P CA 1.639 64.309 63.100 -0.716 0.000 0.858 424 P CB 0.274 31.602 31.700 -0.621 0.000 0.789 425 T N -1.593 112.536 114.554 -0.708 0.000 2.833 425 T HA -0.095 3.842 4.350 -0.688 0.000 0.269 425 T C 0.895 175.068 174.700 -0.879 0.000 1.054 425 T CA 1.304 62.902 62.100 -0.836 0.000 1.135 425 T CB -0.592 67.548 68.868 -1.213 0.000 0.869 425 T HN 0.251 nan 8.240 nan 0.000 0.466 426 H N -0.124 118.630 119.070 -0.528 0.000 2.713 426 H HA 0.495 4.637 4.556 -0.690 0.000 0.340 426 H C 0.598 175.568 175.328 -0.598 0.000 1.271 426 H CA -0.729 55.071 56.048 -0.414 0.000 1.306 426 H CB 1.506 31.156 29.762 -0.187 0.000 1.839 426 H HN 0.009 nan 8.280 nan 0.000 0.627 427 K N 0.286 120.555 120.400 -0.218 0.000 2.367 427 K HA 0.136 4.043 4.320 -0.688 0.000 0.195 427 K C 0.548 177.227 176.600 0.131 0.000 1.060 427 K CA 0.094 56.266 56.287 -0.192 0.000 1.022 427 K CB 0.936 33.444 32.500 0.013 0.000 0.894 427 K HN 0.300 nan 8.250 nan 0.000 0.540 428 V N -0.331 119.630 119.914 0.078 0.000 2.612 428 V HA 0.261 3.968 4.120 -0.688 0.000 0.301 428 V C -0.191 176.033 176.094 0.216 0.000 1.046 428 V CA -0.709 61.724 62.300 0.222 0.000 0.946 428 V CB 1.152 33.075 31.823 0.167 0.000 1.003 428 V HN 0.215 nan 8.190 nan 0.000 0.459 429 H N 4.112 123.434 119.070 0.420 0.000 2.768 429 H HA 0.377 4.520 4.556 -0.689 0.000 0.219 429 H C 0.909 176.418 175.328 0.301 0.000 1.898 429 H CA 0.513 56.853 56.048 0.487 0.000 1.313 429 H CB 0.423 30.515 29.762 0.550 0.000 1.701 429 H HN 0.993 nan 8.280 nan 0.000 0.534 430 G N 0.776 109.772 108.800 0.327 0.000 3.829 430 G HA2 0.108 3.655 3.960 -0.688 0.000 0.279 430 G HA3 0.108 3.655 3.960 -0.688 0.000 0.279 430 G C -0.178 174.730 174.900 0.013 0.000 1.008 430 G CA -0.176 45.001 45.100 0.129 0.000 0.840 430 G HN 0.110 nan 8.290 nan 0.000 0.474 431 F N 0.578 120.562 119.950 0.057 0.000 2.362 431 F HA 0.526 4.642 4.527 -0.685 0.000 0.311 431 F C 0.106 175.927 175.800 0.035 0.000 1.161 431 F CA -0.751 57.263 58.000 0.023 0.000 1.085 431 F CB 1.281 40.265 39.000 -0.027 0.000 1.311 431 F HN -0.121 nan 8.300 nan 0.000 0.524 432 D N 1.498 122.026 120.400 0.214 0.000 2.440 432 D HA 0.151 4.379 4.640 -0.688 0.000 0.252 432 D C 0.597 176.934 176.300 0.063 0.000 1.180 432 D CA -0.328 53.739 54.000 0.113 0.000 0.894 432 D CB 1.242 42.090 40.800 0.080 0.000 1.111 432 D HN 0.355 nan 8.370 nan 0.000 0.544 433 L N 4.284 125.506 121.223 -0.002 0.000 2.079 433 L HA -0.071 3.856 4.340 -0.688 0.000 0.210 433 L C 2.015 178.767 176.870 -0.198 0.000 1.081 433 L CA 2.316 57.073 54.840 -0.139 0.000 0.752 433 L CB -0.439 41.465 42.059 -0.258 0.000 0.896 433 L HN 0.517 nan 8.230 nan 0.000 0.433 434 A N -1.033 121.736 122.820 -0.086 0.000 1.872 434 A HA 0.004 3.911 4.320 -0.688 0.000 0.214 434 A C 2.445 179.978 177.584 -0.086 0.000 1.187 434 A CA 1.511 53.495 52.037 -0.089 0.000 0.614 434 A CB -1.114 18.026 19.000 0.234 0.000 0.826 434 A HN 0.494 nan 8.150 nan 0.000 0.442 435 A N 0.361 123.176 122.820 -0.008 0.000 1.859 435 A HA -0.184 3.724 4.320 -0.688 0.000 0.217 435 A C 2.110 179.645 177.584 -0.081 0.000 1.198 435 A CA 1.752 53.768 52.037 -0.035 0.000 0.629 435 A CB -0.876 18.103 19.000 -0.035 0.000 0.830 435 A HN 0.498 nan 8.150 nan 0.000 0.446 436 I N 0.090 120.646 120.570 -0.024 0.000 2.145 436 I HA -0.398 3.359 4.170 -0.688 0.000 0.244 436 I C 2.338 178.484 176.117 0.049 0.000 1.075 436 I CA 2.054 63.409 61.300 0.091 0.000 1.332 436 I CB -0.725 37.376 38.000 0.168 0.000 1.033 436 I HN 0.498 nan 8.210 nan 0.000 0.410 437 N N 0.586 119.186 118.700 -0.166 0.000 2.069 437 N HA -0.191 4.136 4.740 -0.688 0.000 0.191 437 N C 1.934 177.401 175.510 -0.073 0.000 1.031 437 N CA 1.146 54.043 53.050 -0.256 0.000 0.852 437 N CB -0.168 37.700 38.487 -1.032 0.000 1.018 437 N HN 0.273 nan 8.380 nan 0.000 0.423 438 L N 0.544 121.727 121.223 -0.067 0.000 2.056 438 L HA -0.164 3.763 4.340 -0.688 0.000 0.207 438 L C 2.600 179.475 176.870 0.009 0.000 1.078 438 L CA 0.947 55.822 54.840 0.059 0.000 0.749 438 L CB -0.355 41.783 42.059 0.131 0.000 0.901 438 L HN 0.158 nan 8.230 nan 0.000 0.433 439 Q N 0.236 119.964 119.800 -0.119 0.000 2.181 439 Q HA -0.244 3.683 4.340 -0.688 0.000 0.205 439 Q C 2.219 178.221 176.000 0.003 0.000 0.980 439 Q CA 1.595 57.208 55.803 -0.318 0.000 0.862 439 Q CB -0.044 28.108 28.738 -0.976 0.000 0.905 439 Q HN 0.136 nan 8.270 nan 0.000 0.429 440 R N -1.166 119.472 120.500 0.230 0.000 2.090 440 R HA 0.002 3.929 4.340 -0.688 0.000 0.228 440 R C 2.126 178.609 176.300 0.306 0.000 1.110 440 R CA 1.386 57.796 56.100 0.517 0.000 0.973 440 R CB -0.809 29.824 30.300 0.555 0.000 0.869 440 R HN 0.394 nan 8.270 nan 0.000 0.440 441 C N 0.139 119.370 119.300 -0.116 0.000 2.393 441 C HA -0.120 3.927 4.460 -0.688 0.000 0.276 441 C C 2.488 177.427 174.990 -0.083 0.000 1.215 441 C CA 1.231 59.911 59.018 -0.564 0.000 1.743 441 C CB -0.913 26.598 27.740 -0.381 0.000 2.044 441 C HN 0.521 nan 8.230 nan 0.000 0.464 442 R N 0.754 121.325 120.500 0.118 0.000 2.080 442 R HA -0.180 3.747 4.340 -0.688 0.000 0.236 442 R C 1.944 178.437 176.300 0.321 0.000 1.137 442 R CA 2.150 58.405 56.100 0.259 0.000 0.943 442 R CB -0.679 29.843 30.300 0.369 0.000 0.846 442 R HN 0.545 nan 8.270 nan 0.000 0.431 443 D N 0.096 120.785 120.400 0.482 0.000 2.133 443 D HA -0.191 4.036 4.640 -0.688 0.000 0.195 443 D C 1.399 178.005 176.300 0.510 0.000 0.997 443 D CA 1.413 55.747 54.000 0.556 0.000 0.840 443 D CB -0.102 41.167 40.800 0.783 0.000 0.947 443 D HN 0.400 nan 8.370 nan 0.000 0.452 444 H N -1.404 117.845 119.070 0.298 0.000 2.547 444 H HA 0.217 4.364 4.556 -0.683 0.000 0.266 444 H C 1.026 176.371 175.328 0.028 0.000 0.988 444 H CA 0.325 56.534 56.048 0.268 0.000 1.147 444 H CB 0.271 30.296 29.762 0.439 0.000 1.365 444 H HN 0.297 nan 8.280 nan 0.000 0.589 445 G N 1.725 110.451 108.800 -0.123 0.000 2.246 445 G HA2 -0.268 3.279 3.960 -0.688 0.000 0.273 445 G HA3 -0.268 3.279 3.960 -0.688 0.000 0.273 445 G C 0.235 175.005 174.900 -0.216 0.000 1.055 445 G CA -0.153 44.556 45.100 -0.651 0.000 0.851 445 G HN 0.121 nan 8.290 nan 0.000 0.500 446 M N 0.258 119.834 119.600 -0.040 0.000 2.269 446 M HA 0.186 4.253 4.480 -0.688 0.000 0.350 446 M C -1.507 174.873 176.300 0.133 0.000 1.429 446 M CA -1.896 53.452 55.300 0.081 0.000 1.063 446 M CB -0.148 32.422 32.600 -0.051 0.000 1.841 446 M HN 0.023 nan 8.290 nan 0.000 0.455 447 P HA 0.125 nan 4.420 nan 0.000 0.271 447 P C 0.329 177.708 177.300 0.131 0.000 1.233 447 P CA -0.133 62.974 63.100 0.012 0.000 0.789 447 P CB 0.437 31.915 31.700 -0.370 0.000 0.951 448 G N -0.609 108.215 108.800 0.039 0.000 2.535 448 G HA2 0.022 3.569 3.960 -0.688 0.000 0.282 448 G HA3 0.022 3.569 3.960 -0.688 0.000 0.282 448 G C 0.231 175.268 174.900 0.228 0.000 1.350 448 G CA -0.114 45.056 45.100 0.116 0.000 1.039 448 G HN 0.435 nan 8.290 nan 0.000 0.509 449 Y N 0.342 120.682 120.300 0.067 0.000 2.036 449 Y HA -0.215 3.920 4.550 -0.691 0.000 0.273 449 Y C 2.807 178.769 175.900 0.103 0.000 1.135 449 Y CA 2.508 60.663 58.100 0.091 0.000 1.106 449 Y CB -0.353 38.094 38.460 -0.022 0.000 0.976 449 Y HN 0.405 nan 8.280 nan 0.000 0.483 450 N N -0.250 118.438 118.700 -0.021 0.000 2.205 450 N HA -0.198 4.129 4.740 -0.688 0.000 0.186 450 N C 2.157 177.613 175.510 -0.091 0.000 1.015 450 N CA 1.429 54.410 53.050 -0.115 0.000 0.862 450 N CB -0.621 37.861 38.487 -0.009 0.000 0.986 450 N HN 0.464 nan 8.380 nan 0.000 0.429 451 S N -0.650 114.993 115.700 -0.094 0.000 2.383 451 S HA -0.080 3.977 4.470 -0.688 0.000 0.227 451 S C 1.762 176.227 174.600 -0.225 0.000 1.026 451 S CA 0.762 58.850 58.200 -0.187 0.000 0.981 451 S CB -0.249 62.789 63.200 -0.270 0.000 0.818 451 S HN 0.448 nan 8.310 nan 0.000 0.472 452 W N 1.396 122.691 121.300 -0.009 0.000 2.453 452 W HA 0.242 4.499 4.660 -0.672 0.000 0.289 452 W C 2.748 179.292 176.519 0.041 0.000 1.215 452 W CA -0.157 57.206 57.345 0.030 0.000 1.297 452 W CB -0.077 29.372 29.460 -0.019 0.000 1.113 452 W HN 0.120 nan 8.180 nan 0.000 0.551 453 R N 0.174 120.710 120.500 0.060 0.000 2.091 453 R HA -0.122 3.805 4.340 -0.688 0.000 0.238 453 R C 2.274 178.602 176.300 0.048 0.000 1.136 453 R CA 1.654 57.727 56.100 -0.044 0.000 0.959 453 R CB -1.505 28.633 30.300 -0.270 0.000 0.856 453 R HN 0.356 nan 8.270 nan 0.000 0.437 454 G N 0.039 108.863 108.800 0.040 0.000 2.402 454 G HA2 -0.280 3.267 3.960 -0.688 0.000 0.216 454 G HA3 -0.280 3.267 3.960 -0.688 0.000 0.216 454 G C 1.381 176.343 174.900 0.102 0.000 1.162 454 G CA 0.315 45.441 45.100 0.043 0.000 0.777 454 G HN 0.337 nan 8.290 nan 0.000 0.539 455 F N 0.797 120.758 119.950 0.019 0.000 2.236 455 F HA -0.122 3.993 4.527 -0.686 0.000 0.302 455 F C 1.851 177.733 175.800 0.137 0.000 1.073 455 F CA 1.123 59.175 58.000 0.088 0.000 1.336 455 F CB 0.060 39.172 39.000 0.188 0.000 1.040 455 F HN 0.147 nan 8.300 nan 0.000 0.507 456 c N 0.814 119.550 118.600 0.227 0.000 2.884 456 c HA 0.459 4.616 4.570 -0.688 0.000 0.287 456 c C 1.497 175.667 174.090 0.134 0.000 1.310 456 c CA 0.322 56.745 56.329 0.156 0.000 1.725 456 c CB -1.071 41.569 42.510 0.217 0.000 2.060 456 c HN 0.826 nan 8.230 nan 0.000 0.618 457 G N 1.615 110.455 108.800 0.067 0.000 2.273 457 G HA2 -0.233 3.314 3.960 -0.688 0.000 0.280 457 G HA3 -0.233 3.314 3.960 -0.688 0.000 0.280 457 G C -0.222 174.713 174.900 0.058 0.000 1.047 457 G CA 0.169 45.298 45.100 0.048 0.000 0.869 457 G HN 0.552 nan 8.290 nan 0.000 0.502 458 L N 0.199 121.454 121.223 0.053 0.000 2.322 458 L HA 0.667 4.595 4.340 -0.688 0.000 0.269 458 L C 1.364 178.241 176.870 0.011 0.000 1.012 458 L CA -0.566 54.297 54.840 0.038 0.000 0.815 458 L CB 1.773 43.855 42.059 0.039 0.000 1.295 458 L HN 0.401 nan 8.230 nan 0.000 0.438 459 S N 1.280 116.988 115.700 0.013 0.000 2.558 459 S HA 0.018 4.075 4.470 -0.688 0.000 0.293 459 S C -0.258 174.339 174.600 -0.006 0.000 1.292 459 S CA -0.217 57.989 58.200 0.010 0.000 1.063 459 S CB 0.309 63.521 63.200 0.021 0.000 0.831 459 S HN 0.594 nan 8.310 nan 0.000 0.499 460 Q N 4.091 123.890 119.800 -0.002 0.000 2.466 460 Q HA 0.358 4.285 4.340 -0.688 0.000 0.242 460 Q C -2.274 173.743 176.000 0.028 0.000 1.046 460 Q CA -2.019 53.780 55.803 -0.006 0.000 0.841 460 Q CB 1.055 29.786 28.738 -0.012 0.000 1.193 460 Q HN 0.624 nan 8.270 nan 0.000 0.508 461 P HA 0.001 nan 4.420 nan 0.000 0.268 461 P C -0.167 177.173 177.300 0.067 0.000 1.204 461 P CA -0.116 63.026 63.100 0.071 0.000 0.768 461 P CB 1.365 33.129 31.700 0.106 0.000 0.842 462 K N 0.352 120.782 120.400 0.050 0.000 2.436 462 K HA 0.126 4.034 4.320 -0.688 0.000 0.198 462 K C 1.021 177.644 176.600 0.038 0.000 1.174 462 K CA 0.780 57.094 56.287 0.046 0.000 0.951 462 K CB 0.433 32.957 32.500 0.040 0.000 1.040 462 K HN 0.647 nan 8.250 nan 0.000 0.536 463 T N -2.551 112.022 114.554 0.032 0.000 2.926 463 T HA 0.352 4.289 4.350 -0.688 0.000 0.289 463 T C 1.268 175.978 174.700 0.017 0.000 1.054 463 T CA -0.803 61.310 62.100 0.021 0.000 1.015 463 T CB 1.531 70.411 68.868 0.020 0.000 1.167 463 T HN -0.083 nan 8.240 nan 0.000 0.526 464 L N 0.473 121.700 121.223 0.007 0.000 1.978 464 L HA -0.177 3.750 4.340 -0.688 0.000 0.218 464 L C 2.746 179.622 176.870 0.011 0.000 1.075 464 L CA 2.069 56.911 54.840 0.004 0.000 0.767 464 L CB -0.467 41.592 42.059 -0.000 0.000 0.890 464 L HN 0.828 nan 8.230 nan 0.000 0.434 465 K N -0.114 120.294 120.400 0.012 0.000 2.089 465 K HA -0.181 3.726 4.320 -0.688 0.000 0.210 465 K C 1.743 178.355 176.600 0.019 0.000 1.048 465 K CA 1.717 58.012 56.287 0.014 0.000 0.926 465 K CB -0.735 31.773 32.500 0.014 0.000 0.714 465 K HN 0.514 nan 8.250 nan 0.000 0.448 466 G N -0.251 108.563 108.800 0.024 0.000 2.430 466 G HA2 -0.150 3.397 3.960 -0.688 0.000 0.216 466 G HA3 -0.150 3.397 3.960 -0.688 0.000 0.216 466 G C 1.343 176.269 174.900 0.043 0.000 1.146 466 G CA 0.499 45.618 45.100 0.033 0.000 0.793 466 G HN 0.273 nan 8.290 nan 0.000 0.537 467 L N 0.539 121.786 121.223 0.040 0.000 2.056 467 L HA 0.049 3.977 4.340 -0.688 0.000 0.207 467 L C 2.863 179.749 176.870 0.028 0.000 1.078 467 L CA 1.706 56.571 54.840 0.042 0.000 0.749 467 L CB -0.635 41.435 42.059 0.019 0.000 0.901 467 L HN 0.276 nan 8.230 nan 0.000 0.433 468 Q N -0.696 119.114 119.800 0.018 0.000 2.112 468 Q HA -0.238 3.689 4.340 -0.688 0.000 0.206 468 Q C 2.216 178.227 176.000 0.019 0.000 0.987 468 Q CA 1.831 57.642 55.803 0.013 0.000 0.858 468 Q CB -0.404 28.340 28.738 0.010 0.000 0.905 468 Q HN 0.689 nan 8.270 nan 0.000 0.420 469 A N 0.161 122.996 122.820 0.025 0.000 1.930 469 A HA -0.115 3.792 4.320 -0.688 0.000 0.217 469 A C 2.314 179.919 177.584 0.035 0.000 1.175 469 A CA 1.230 53.283 52.037 0.027 0.000 0.627 469 A CB -0.519 18.497 19.000 0.027 0.000 0.815 469 A HN 0.206 nan 8.150 nan 0.000 0.443 470 V N -0.484 119.460 119.914 0.050 0.000 2.307 470 V HA -0.170 3.537 4.120 -0.688 0.000 0.245 470 V C 2.146 178.274 176.094 0.057 0.000 1.045 470 V CA 1.621 63.962 62.300 0.069 0.000 1.024 470 V CB -0.643 31.251 31.823 0.119 0.000 0.651 470 V HN 0.452 nan 8.190 nan 0.000 0.449 471 L N -0.375 120.872 121.223 0.040 0.000 2.599 471 L HA 0.164 4.091 4.340 -0.688 0.000 0.230 471 L C 1.172 178.048 176.870 0.011 0.000 1.141 471 L CA 0.599 55.450 54.840 0.018 0.000 0.877 471 L CB -1.369 40.686 42.059 -0.008 0.000 1.009 471 L HN 0.368 nan 8.230 nan 0.000 0.447 472 K N 0.764 121.173 120.400 0.015 0.000 3.078 472 K HA -0.258 3.649 4.320 -0.688 0.000 0.261 472 K C 0.101 176.704 176.600 0.005 0.000 0.947 472 K CA 0.659 56.952 56.287 0.011 0.000 0.702 472 K CB -1.462 31.044 32.500 0.010 0.000 1.318 472 K HN 0.339 nan 8.250 nan 0.000 0.473 473 N N 0.167 118.869 118.700 0.003 0.000 2.812 473 N HA 0.123 4.450 4.740 -0.688 0.000 0.262 473 N C 0.071 175.580 175.510 -0.001 0.000 1.241 473 N CA -0.547 52.502 53.050 -0.001 0.000 0.854 473 N CB 0.999 39.482 38.487 -0.006 0.000 1.506 473 N HN -0.019 nan 8.380 nan 0.000 0.576 474 K N 0.755 121.156 120.400 0.001 0.000 2.026 474 K HA -0.042 3.865 4.320 -0.688 0.000 0.208 474 K C 1.482 178.082 176.600 -0.000 0.000 1.048 474 K CA 1.503 57.791 56.287 0.001 0.000 0.929 474 K CB 0.199 32.700 32.500 0.003 0.000 0.713 474 K HN 0.249 nan 8.250 nan 0.000 0.439 475 V N 1.466 121.380 119.914 0.001 0.000 2.427 475 V HA -0.195 3.512 4.120 -0.688 0.000 0.248 475 V C 2.112 178.206 176.094 0.001 0.000 1.051 475 V CA 1.263 63.564 62.300 0.002 0.000 1.048 475 V CB -0.345 31.480 31.823 0.004 0.000 0.666 475 V HN 0.244 nan 8.190 nan 0.000 0.456 476 L N 0.846 122.067 121.223 -0.003 0.000 2.179 476 L HA 0.115 4.042 4.340 -0.688 0.000 0.208 476 L C 2.400 179.262 176.870 -0.013 0.000 1.096 476 L CA 2.028 56.864 54.840 -0.008 0.000 0.779 476 L CB -0.833 41.215 42.059 -0.017 0.000 0.922 476 L HN 0.186 nan 8.230 nan 0.000 0.443 477 A N -0.535 122.277 122.820 -0.014 0.000 1.933 477 A HA -0.226 3.681 4.320 -0.688 0.000 0.218 477 A C 2.333 179.912 177.584 -0.008 0.000 1.175 477 A CA 1.844 53.872 52.037 -0.016 0.000 0.628 477 A CB -0.483 18.512 19.000 -0.009 0.000 0.814 477 A HN 0.421 nan 8.150 nan 0.000 0.444 478 K N 0.182 120.580 120.400 -0.004 0.000 2.007 478 K HA -0.039 3.868 4.320 -0.688 0.000 0.206 478 K C 1.934 178.534 176.600 -0.000 0.000 1.047 478 K CA 1.811 58.096 56.287 -0.004 0.000 0.937 478 K CB -0.243 32.255 32.500 -0.003 0.000 0.718 478 K HN 0.412 nan 8.250 nan 0.000 0.438 479 K N -0.064 120.339 120.400 0.005 0.000 2.063 479 K HA -0.126 3.781 4.320 -0.688 0.000 0.208 479 K C 1.908 178.525 176.600 0.029 0.000 1.048 479 K CA 1.240 57.533 56.287 0.011 0.000 0.928 479 K CB -0.217 32.293 32.500 0.016 0.000 0.713 479 K HN 0.022 nan 8.250 nan 0.000 0.442 480 L N 1.047 122.295 121.223 0.043 0.000 2.042 480 L HA -0.153 3.774 4.340 -0.688 0.000 0.210 480 L C 2.000 178.955 176.870 0.142 0.000 1.076 480 L CA 1.612 56.517 54.840 0.108 0.000 0.749 480 L CB -0.554 41.517 42.059 0.020 0.000 0.893 480 L HN 0.201 nan 8.230 nan 0.000 0.432 481 L N -1.231 120.021 121.223 0.048 0.000 2.240 481 L HA -0.137 3.790 4.340 -0.688 0.000 0.211 481 L C 1.956 178.809 176.870 -0.028 0.000 1.106 481 L CA 0.508 55.357 54.840 0.015 0.000 0.793 481 L CB -0.495 41.553 42.059 -0.018 0.000 0.927 481 L HN 0.233 nan 8.230 nan 0.000 0.446 482 D N 0.226 120.608 120.400 -0.030 0.000 2.178 482 D HA -0.131 4.096 4.640 -0.688 0.000 0.201 482 D C 2.321 178.570 176.300 -0.085 0.000 0.980 482 D CA 1.124 55.092 54.000 -0.055 0.000 0.842 482 D CB 0.099 40.876 40.800 -0.038 0.000 0.948 482 D HN 0.292 nan 8.370 nan 0.000 0.472 483 L N -1.037 120.127 121.223 -0.099 0.000 2.127 483 L HA -0.076 3.852 4.340 -0.688 0.000 0.203 483 L C 1.878 178.543 176.870 -0.341 0.000 1.080 483 L CA 0.753 55.454 54.840 -0.231 0.000 0.768 483 L CB -0.155 41.721 42.059 -0.305 0.000 0.924 483 L HN 0.021 nan 8.230 nan 0.000 0.444 484 Y N -0.772 119.480 120.300 -0.080 0.000 2.497 484 Y HA 0.031 4.168 4.550 -0.689 0.000 0.265 484 Y C 1.325 177.112 175.900 -0.188 0.000 1.111 484 Y CA -0.269 57.776 58.100 -0.090 0.000 1.288 484 Y CB 0.347 38.766 38.460 -0.068 0.000 1.082 484 Y HN -0.030 nan 8.280 nan 0.000 0.536 485 K N -0.507 119.799 120.400 -0.158 0.000 3.564 485 K HA -0.246 3.661 4.320 -0.688 0.000 0.278 485 K C 0.344 176.676 176.600 -0.446 0.000 1.048 485 K CA 1.687 57.681 56.287 -0.488 0.000 1.109 485 K CB -1.756 30.123 32.500 -1.034 0.000 1.405 485 K HN 0.390 nan 8.250 nan 0.000 0.452 486 T N -1.026 113.422 114.554 -0.178 0.000 3.047 486 T HA 0.439 4.376 4.350 -0.688 0.000 0.340 486 T C -2.614 172.096 174.700 0.017 0.000 1.421 486 T CA -1.020 61.051 62.100 -0.049 0.000 1.090 486 T CB 2.071 70.967 68.868 0.047 0.000 1.292 486 T HN -0.253 nan 8.240 nan 0.000 0.480 487 P HA 0.002 nan 4.420 nan 0.000 0.221 487 P C 0.875 178.215 177.300 0.067 0.000 1.145 487 P CA 0.787 63.909 63.100 0.036 0.000 0.795 487 P CB 0.161 31.926 31.700 0.109 0.000 0.775 488 D N -0.890 119.549 120.400 0.065 0.000 2.221 488 D HA -0.128 4.099 4.640 -0.688 0.000 0.204 488 D C 1.252 177.564 176.300 0.020 0.000 0.982 488 D CA 1.064 55.094 54.000 0.051 0.000 0.857 488 D CB -0.581 40.247 40.800 0.048 0.000 0.934 488 D HN 0.174 nan 8.370 nan 0.000 0.475 489 N N -0.158 118.551 118.700 0.016 0.000 2.353 489 N HA 0.099 4.426 4.740 -0.688 0.000 0.185 489 N C 0.351 175.785 175.510 -0.127 0.000 1.098 489 N CA -0.099 52.963 53.050 0.020 0.000 0.872 489 N CB 0.448 39.027 38.487 0.154 0.000 0.970 489 N HN 0.232 nan 8.380 nan 0.000 0.467 490 I N 2.099 122.420 120.570 -0.416 0.000 2.742 490 I HA -0.103 3.654 4.170 -0.688 0.000 0.287 490 I C 0.275 176.158 176.117 -0.389 0.000 1.186 490 I CA 0.328 61.070 61.300 -0.931 0.000 1.417 490 I CB 0.183 37.767 38.000 -0.694 0.000 1.377 490 I HN -0.055 nan 8.210 nan 0.000 0.556 491 D N 5.581 125.793 120.400 -0.314 0.000 2.423 491 D HA -0.048 4.179 4.640 -0.688 0.000 0.238 491 D C 1.069 177.393 176.300 0.040 0.000 1.142 491 D CA -0.060 53.943 54.000 0.005 0.000 0.884 491 D CB 1.480 42.365 40.800 0.142 0.000 1.199 491 D HN 0.415 nan 8.370 nan 0.000 0.438 492 I N 1.882 122.513 120.570 0.101 0.000 2.179 492 I HA -0.194 3.563 4.170 -0.688 0.000 0.242 492 I C 1.988 178.184 176.117 0.133 0.000 1.088 492 I CA 1.186 62.565 61.300 0.131 0.000 1.357 492 I CB -0.342 37.687 38.000 0.047 0.000 1.051 492 I HN 0.630 nan 8.210 nan 0.000 0.409 493 W N 0.958 122.257 121.300 -0.001 0.000 2.318 493 W HA -0.267 3.970 4.660 -0.705 0.000 0.313 493 W C 2.399 178.960 176.519 0.070 0.000 1.221 493 W CA 2.331 59.718 57.345 0.071 0.000 1.266 493 W CB -0.404 29.133 29.460 0.128 0.000 1.150 493 W HN 0.204 nan 8.180 nan 0.000 0.496 494 I N 0.256 120.803 120.570 -0.037 0.000 2.406 494 I HA -0.071 3.686 4.170 -0.688 0.000 0.249 494 I C 2.331 178.281 176.117 -0.278 0.000 1.122 494 I CA 1.641 62.761 61.300 -0.299 0.000 1.431 494 I CB -1.182 36.803 38.000 -0.025 0.000 1.087 494 I HN 0.166 nan 8.210 nan 0.000 0.424 495 G N 0.476 109.136 108.800 -0.233 0.000 2.514 495 G HA2 -0.284 3.263 3.960 -0.688 0.000 0.217 495 G HA3 -0.284 3.263 3.960 -0.688 0.000 0.217 495 G C 1.588 176.398 174.900 -0.151 0.000 1.198 495 G CA 0.828 45.671 45.100 -0.429 0.000 0.780 495 G HN 0.499 nan 8.290 nan 0.000 0.565 496 G N 0.141 108.979 108.800 0.063 0.000 2.470 496 G HA2 -0.162 3.385 3.960 -0.688 0.000 0.220 496 G HA3 -0.162 3.385 3.960 -0.688 0.000 0.220 496 G C 1.587 176.457 174.900 -0.051 0.000 1.121 496 G CA 1.020 46.168 45.100 0.080 0.000 0.766 496 G HN 0.548 nan 8.290 nan 0.000 0.553 497 N N -0.198 118.387 118.700 -0.190 0.000 2.373 497 N HA 0.253 4.580 4.740 -0.688 0.000 0.181 497 N C 2.156 177.567 175.510 -0.165 0.000 1.082 497 N CA 0.428 53.346 53.050 -0.220 0.000 0.885 497 N CB 0.190 38.403 38.487 -0.457 0.000 0.977 497 N HN 0.281 nan 8.380 nan 0.000 0.462 498 A N 0.624 123.347 122.820 -0.162 0.000 2.072 498 A HA 0.028 3.935 4.320 -0.688 0.000 0.216 498 A C 0.659 178.205 177.584 -0.064 0.000 1.156 498 A CA 0.407 52.370 52.037 -0.124 0.000 0.701 498 A CB 0.043 18.944 19.000 -0.165 0.000 0.816 498 A HN 0.232 nan 8.150 nan 0.000 0.458 499 E N 1.057 121.239 120.200 -0.030 0.000 2.392 499 E HA 0.209 4.146 4.350 -0.688 0.000 0.264 499 E C -2.372 174.230 176.600 0.004 0.000 1.024 499 E CA -1.810 54.600 56.400 0.017 0.000 0.903 499 E CB 0.172 29.913 29.700 0.067 0.000 0.963 499 E HN 0.217 nan 8.360 nan 0.000 0.432 500 P HA -0.051 nan 4.420 nan 0.000 0.269 500 P C -0.457 176.847 177.300 0.006 0.000 1.209 500 P CA 0.365 63.468 63.100 0.006 0.000 0.776 500 P CB 0.485 32.192 31.700 0.010 0.000 0.876 501 M N 1.538 121.139 119.600 0.001 0.000 2.248 501 M HA 0.110 4.177 4.480 -0.688 0.000 0.337 501 M C 0.297 176.596 176.300 -0.001 0.000 1.121 501 M CA -0.320 54.978 55.300 -0.004 0.000 1.155 501 M CB 0.444 33.043 32.600 -0.002 0.000 1.514 501 M HN 0.143 nan 8.290 nan 0.000 0.452 502 V N 0.153 120.065 119.914 -0.004 0.000 2.732 502 V HA 0.238 3.946 4.120 -0.688 0.000 0.297 502 V C 0.242 176.333 176.094 -0.006 0.000 1.060 502 V CA -0.944 61.359 62.300 0.004 0.000 1.038 502 V CB 1.004 32.838 31.823 0.018 0.000 1.003 502 V HN 0.897 nan 8.190 nan 0.000 0.481 503 E N 4.407 124.605 120.200 -0.003 0.000 2.694 503 E HA -0.049 3.888 4.350 -0.688 0.000 0.250 503 E C 0.411 176.998 176.600 -0.021 0.000 0.963 503 E CA 0.566 56.959 56.400 -0.011 0.000 0.949 503 E CB 0.030 29.726 29.700 -0.008 0.000 0.911 503 E HN 0.801 nan 8.360 nan 0.000 0.500 504 R N 0.793 121.274 120.500 -0.032 0.000 3.936 504 R HA -0.163 3.764 4.340 -0.688 0.000 0.366 504 R C 0.161 176.422 176.300 -0.064 0.000 1.158 504 R CA 0.736 56.807 56.100 -0.049 0.000 0.969 504 R CB -2.119 28.153 30.300 -0.046 0.000 1.504 504 R HN 0.632 nan 8.270 nan 0.000 0.538 505 G N -0.815 107.953 108.800 -0.054 0.000 3.015 505 G HA2 0.623 4.171 3.960 -0.688 0.000 0.281 505 G HA3 0.623 4.171 3.960 -0.688 0.000 0.281 505 G C 0.152 175.026 174.900 -0.043 0.000 1.386 505 G CA -0.676 44.387 45.100 -0.062 0.000 0.959 505 G HN -0.020 nan 8.290 nan 0.000 0.522 506 R N -0.657 119.829 120.500 -0.024 0.000 2.565 506 R HA 0.272 4.200 4.340 -0.688 0.000 0.347 506 R C 0.147 176.432 176.300 -0.025 0.000 1.010 506 R CA -0.003 56.125 56.100 0.047 0.000 1.126 506 R CB 0.394 30.841 30.300 0.245 0.000 1.331 506 R HN 0.538 nan 8.270 nan 0.000 0.552 507 V N -3.993 115.841 119.914 -0.134 0.000 3.102 507 V HA 0.912 4.620 4.120 -0.688 0.000 0.312 507 V C 0.421 176.456 176.094 -0.098 0.000 1.135 507 V CA -1.098 61.087 62.300 -0.192 0.000 1.022 507 V CB 1.661 33.234 31.823 -0.416 0.000 1.056 507 V HN 0.042 nan 8.190 nan 0.000 0.436 508 G N 0.006 108.764 108.800 -0.069 0.000 2.525 508 G HA2 0.572 4.119 3.960 -0.688 0.000 0.287 508 G HA3 0.572 4.119 3.960 -0.688 0.000 0.287 508 G C -1.890 173.010 174.900 -0.000 0.000 1.350 508 G CA -0.988 44.102 45.100 -0.017 0.000 1.039 508 G HN 0.631 nan 8.290 nan 0.000 0.513 509 P HA -0.082 nan 4.420 nan 0.000 0.216 509 P C 2.093 179.425 177.300 0.054 0.000 1.153 509 P CA 0.380 63.526 63.100 0.077 0.000 0.848 509 P CB 0.118 31.872 31.700 0.091 0.000 0.787 510 L N -1.211 120.035 121.223 0.038 0.000 2.017 510 L HA -0.124 3.804 4.340 -0.688 0.000 0.208 510 L C 2.095 178.944 176.870 -0.035 0.000 1.073 510 L CA 1.921 56.775 54.840 0.024 0.000 0.745 510 L CB -1.476 40.611 42.059 0.047 0.000 0.894 510 L HN -0.163 nan 8.230 nan 0.000 0.432 511 L N -0.056 121.136 121.223 -0.052 0.000 2.093 511 L HA -0.059 3.868 4.340 -0.688 0.000 0.208 511 L C 2.667 179.443 176.870 -0.157 0.000 1.085 511 L CA 1.871 56.648 54.840 -0.105 0.000 0.755 511 L CB -1.510 40.470 42.059 -0.131 0.000 0.904 511 L HN 0.371 nan 8.230 nan 0.000 0.435 512 A N -1.637 121.097 122.820 -0.143 0.000 1.940 512 A HA -0.296 3.611 4.320 -0.688 0.000 0.219 512 A C 2.590 179.920 177.584 -0.424 0.000 1.176 512 A CA 1.805 53.752 52.037 -0.151 0.000 0.631 512 A CB -1.376 17.629 19.000 0.007 0.000 0.814 512 A HN 0.593 nan 8.150 nan 0.000 0.446 513 c N -0.611 117.663 118.600 -0.542 0.000 2.462 513 c HA 0.018 4.175 4.570 -0.688 0.000 0.278 513 c C 2.587 176.307 174.090 -0.617 0.000 1.253 513 c CA 1.129 56.764 56.329 -1.156 0.000 1.713 513 c CB -1.513 40.607 42.510 -0.649 0.000 2.049 513 c HN 0.581 nan 8.230 nan 0.000 0.477 514 L N 0.483 121.585 121.223 -0.202 0.000 2.017 514 L HA -0.133 3.794 4.340 -0.688 0.000 0.208 514 L C 2.654 179.583 176.870 0.098 0.000 1.073 514 L CA 1.596 56.447 54.840 0.017 0.000 0.745 514 L CB -0.571 41.440 42.059 -0.080 0.000 0.894 514 L HN 0.412 nan 8.230 nan 0.000 0.432 515 L N -0.908 120.341 121.223 0.043 0.000 2.044 515 L HA -0.061 3.866 4.340 -0.688 0.000 0.205 515 L C 2.723 179.735 176.870 0.235 0.000 1.075 515 L CA 1.239 56.211 54.840 0.220 0.000 0.747 515 L CB -1.242 40.900 42.059 0.138 0.000 0.903 515 L HN 0.264 nan 8.230 nan 0.000 0.435 516 G N 0.080 108.903 108.800 0.038 0.000 2.553 516 G HA2 -0.300 3.247 3.960 -0.688 0.000 0.218 516 G HA3 -0.300 3.247 3.960 -0.688 0.000 0.218 516 G C 1.719 176.736 174.900 0.196 0.000 1.195 516 G CA 0.904 46.072 45.100 0.113 0.000 0.779 516 G HN 0.245 nan 8.290 nan 0.000 0.577 517 R N -0.345 120.204 120.500 0.080 0.000 2.094 517 R HA -0.151 3.776 4.340 -0.688 0.000 0.239 517 R C 2.725 179.175 176.300 0.251 0.000 1.137 517 R CA 1.850 58.057 56.100 0.177 0.000 0.943 517 R CB -0.442 29.928 30.300 0.117 0.000 0.850 517 R HN 0.427 nan 8.270 nan 0.000 0.433 518 Q N 0.162 120.139 119.800 0.295 0.000 2.050 518 Q HA -0.149 3.779 4.340 -0.688 0.000 0.202 518 Q C 1.776 177.666 176.000 -0.184 0.000 0.980 518 Q CA 1.797 57.571 55.803 -0.049 0.000 0.840 518 Q CB -0.276 27.991 28.738 -0.785 0.000 0.898 518 Q HN 0.213 nan 8.270 nan 0.000 0.424 519 F N 0.796 120.746 119.950 -0.001 0.000 2.134 519 F HA -0.186 3.906 4.527 -0.724 0.000 0.299 519 F C 2.518 178.461 175.800 0.239 0.000 1.097 519 F CA 1.663 59.731 58.000 0.112 0.000 1.264 519 F CB -0.635 38.371 39.000 0.010 0.000 1.001 519 F HN 0.282 nan 8.300 nan 0.000 0.479 520 Q N 0.737 120.751 119.800 0.357 0.000 2.096 520 Q HA -0.251 3.676 4.340 -0.688 0.000 0.204 520 Q C 2.017 178.109 176.000 0.154 0.000 0.982 520 Q CA 1.963 57.922 55.803 0.261 0.000 0.850 520 Q CB -0.296 28.580 28.738 0.230 0.000 0.901 520 Q HN 0.533 nan 8.270 nan 0.000 0.422 521 Q N 0.249 120.125 119.800 0.128 0.000 1.993 521 Q HA -0.152 3.775 4.340 -0.688 0.000 0.202 521 Q C 2.334 178.391 176.000 0.096 0.000 0.984 521 Q CA 1.864 57.720 55.803 0.089 0.000 0.837 521 Q CB -0.457 28.333 28.738 0.088 0.000 0.902 521 Q HN 0.633 nan 8.270 nan 0.000 0.423 522 I N -1.349 119.273 120.570 0.087 0.000 2.530 522 I HA -0.219 3.538 4.170 -0.688 0.000 0.257 522 I C 2.430 178.657 176.117 0.184 0.000 1.179 522 I CA 1.158 62.540 61.300 0.136 0.000 1.440 522 I CB -0.284 37.783 38.000 0.112 0.000 1.087 522 I HN 0.047 nan 8.210 nan 0.000 0.440 523 R N 1.733 122.226 120.500 -0.011 0.000 2.054 523 R HA -0.128 3.799 4.340 -0.688 0.000 0.223 523 R C 1.828 177.979 176.300 -0.248 0.000 1.176 523 R CA 2.151 57.905 56.100 -0.576 0.000 0.934 523 R CB -0.540 29.248 30.300 -0.854 0.000 0.828 523 R HN 0.347 nan 8.270 nan 0.000 0.441 524 D N -0.438 119.927 120.400 -0.058 0.000 2.228 524 D HA -0.123 4.105 4.640 -0.688 0.000 0.203 524 D C 1.412 177.841 176.300 0.215 0.000 0.988 524 D CA 1.493 55.550 54.000 0.095 0.000 0.864 524 D CB -0.312 40.511 40.800 0.037 0.000 0.928 524 D HN 0.549 nan 8.370 nan 0.000 0.469 525 G N -0.293 108.657 108.800 0.249 0.000 3.189 525 G HA2 -0.045 3.502 3.960 -0.688 0.000 0.225 525 G HA3 -0.045 3.502 3.960 -0.688 0.000 0.225 525 G C -0.044 175.230 174.900 0.623 0.000 1.159 525 G CA -0.261 45.069 45.100 0.382 0.000 0.763 525 G HN 0.009 nan 8.290 nan 0.000 0.549 526 D N 0.051 120.774 120.400 0.539 0.000 2.373 526 D HA 0.213 4.440 4.640 -0.688 0.000 0.227 526 D C 1.437 177.764 176.300 0.045 0.000 1.091 526 D CA -0.721 53.531 54.000 0.419 0.000 0.840 526 D CB 1.153 42.289 40.800 0.560 0.000 1.060 526 D HN 0.066 nan 8.370 nan 0.000 0.502 527 R N 2.873 123.087 120.500 -0.476 0.000 2.189 527 R HA -0.032 3.895 4.340 -0.688 0.000 0.223 527 R C 0.609 176.493 176.300 -0.694 0.000 1.092 527 R CA 1.034 56.442 56.100 -1.153 0.000 0.989 527 R CB -0.008 29.562 30.300 -1.218 0.000 0.876 527 R HN 0.400 nan 8.270 nan 0.000 0.457 528 F N -0.375 119.455 119.950 -0.200 0.000 2.639 528 F HA 0.156 4.270 4.527 -0.689 0.000 0.300 528 F C 0.440 176.293 175.800 0.087 0.000 1.109 528 F CA -0.767 57.181 58.000 -0.086 0.000 1.335 528 F CB 0.093 39.019 39.000 -0.124 0.000 1.014 528 F HN 0.096 nan 8.300 nan 0.000 0.537 529 W N 2.882 124.234 121.300 0.087 0.000 2.257 529 W HA -0.130 4.112 4.660 -0.697 0.000 0.337 529 W C 1.306 177.895 176.519 0.117 0.000 1.321 529 W CA -0.562 56.838 57.345 0.093 0.000 1.267 529 W CB 0.424 29.849 29.460 -0.059 0.000 1.187 529 W HN 0.501 nan 8.180 nan 0.000 0.565 530 W N 4.433 125.422 121.300 -0.520 0.000 2.350 530 W HA -0.182 4.065 4.660 -0.689 0.000 0.289 530 W C 0.664 177.160 176.519 -0.039 0.000 1.215 530 W CA 1.385 58.649 57.345 -0.135 0.000 1.236 530 W CB -0.688 28.593 29.460 -0.300 0.000 1.130 530 W HN 0.469 nan 8.180 nan 0.000 0.541 531 E N 0.717 120.226 120.200 -1.151 0.000 2.489 531 E HA -0.073 3.864 4.350 -0.688 0.000 0.193 531 E C 0.147 176.754 176.600 0.012 0.000 1.057 531 E CA -0.261 55.675 56.400 -0.773 0.000 0.866 531 E CB -0.268 28.848 29.700 -0.972 0.000 0.916 531 E HN -0.006 nan 8.360 nan 0.000 0.500 532 N N 2.299 121.099 118.700 0.167 0.000 2.452 532 N HA 0.031 4.359 4.740 -0.688 0.000 0.266 532 N C -2.649 172.928 175.510 0.112 0.000 1.209 532 N CA -1.719 51.490 53.050 0.265 0.000 0.929 532 N CB 0.610 39.213 38.487 0.193 0.000 1.063 532 N HN -0.202 nan 8.380 nan 0.000 0.472 533 P HA 0.098 nan 4.420 nan 0.000 0.262 533 P C 0.657 177.958 177.300 0.002 0.000 1.182 533 P CA 0.621 63.746 63.100 0.041 0.000 0.761 533 P CB 0.479 32.196 31.700 0.029 0.000 0.795 534 G N 1.289 110.085 108.800 -0.008 0.000 2.232 534 G HA2 -0.277 3.270 3.960 -0.688 0.000 0.226 534 G HA3 -0.277 3.270 3.960 -0.688 0.000 0.226 534 G C 0.928 175.772 174.900 -0.094 0.000 0.996 534 G CA 0.164 45.233 45.100 -0.051 0.000 0.626 534 G HN 0.400 nan 8.290 nan 0.000 0.509 535 V N -0.217 119.643 119.914 -0.089 0.000 2.346 535 V HA 0.359 4.066 4.120 -0.688 0.000 0.244 535 V C 1.120 176.996 176.094 -0.363 0.000 1.037 535 V CA 1.801 63.986 62.300 -0.191 0.000 1.029 535 V CB -0.297 31.461 31.823 -0.109 0.000 0.663 535 V HN 0.285 nan 8.190 nan 0.000 0.454 536 F N -0.428 119.547 119.950 0.041 0.000 2.563 536 F HA 0.487 4.600 4.527 -0.690 0.000 0.316 536 F C 0.714 176.489 175.800 -0.041 0.000 1.076 536 F CA -0.826 57.176 58.000 0.004 0.000 0.921 536 F CB 1.514 40.558 39.000 0.073 0.000 1.209 536 F HN -0.073 nan 8.300 nan 0.000 0.462 537 T N -1.952 112.652 114.554 0.083 0.000 2.766 537 T HA 0.136 4.073 4.350 -0.688 0.000 0.295 537 T C 0.979 175.699 174.700 0.033 0.000 1.024 537 T CA -0.345 61.764 62.100 0.014 0.000 1.018 537 T CB 0.954 69.792 68.868 -0.051 0.000 1.002 537 T HN 0.707 nan 8.240 nan 0.000 0.532 538 E N 0.071 120.285 120.200 0.023 0.000 2.085 538 E HA -0.118 3.819 4.350 -0.688 0.000 0.194 538 E C 2.179 178.794 176.600 0.026 0.000 0.994 538 E CA 1.185 57.606 56.400 0.035 0.000 0.801 538 E CB -0.022 29.695 29.700 0.028 0.000 0.743 538 E HN 0.491 nan 8.360 nan 0.000 0.453 539 K N 0.127 120.521 120.400 -0.010 0.000 2.148 539 K HA -0.133 3.774 4.320 -0.688 0.000 0.204 539 K C 2.080 178.645 176.600 -0.058 0.000 1.050 539 K CA 1.167 57.442 56.287 -0.021 0.000 0.942 539 K CB -0.015 32.465 32.500 -0.034 0.000 0.724 539 K HN 0.286 nan 8.250 nan 0.000 0.446 540 Q N -0.333 119.369 119.800 -0.165 0.000 2.137 540 Q HA -0.014 3.913 4.340 -0.688 0.000 0.198 540 Q C 2.184 178.153 176.000 -0.052 0.000 0.960 540 Q CA 0.846 56.444 55.803 -0.342 0.000 0.847 540 Q CB 0.054 28.409 28.738 -0.638 0.000 0.915 540 Q HN 0.181 nan 8.270 nan 0.000 0.448 541 R N 0.666 121.204 120.500 0.062 0.000 2.066 541 R HA -0.129 3.798 4.340 -0.688 0.000 0.232 541 R C 1.859 178.276 176.300 0.194 0.000 1.131 541 R CA 1.289 57.518 56.100 0.215 0.000 0.955 541 R CB -0.152 30.311 30.300 0.273 0.000 0.851 541 R HN 0.277 nan 8.270 nan 0.000 0.432 542 D N -0.234 120.244 120.400 0.129 0.000 2.182 542 D HA -0.141 4.087 4.640 -0.688 0.000 0.201 542 D C 1.750 178.109 176.300 0.098 0.000 0.986 542 D CA 1.269 55.335 54.000 0.110 0.000 0.847 542 D CB 0.138 40.985 40.800 0.078 0.000 0.942 542 D HN 0.085 nan 8.370 nan 0.000 0.467 543 S N -0.818 114.947 115.700 0.109 0.000 2.439 543 S HA 0.065 4.122 4.470 -0.688 0.000 0.224 543 S C 2.132 176.789 174.600 0.094 0.000 1.029 543 S CA -0.036 58.242 58.200 0.130 0.000 0.946 543 S CB 0.054 63.397 63.200 0.238 0.000 0.797 543 S HN 0.188 nan 8.310 nan 0.000 0.504 544 L N 1.112 122.376 121.223 0.067 0.000 2.291 544 L HA 0.038 3.965 4.340 -0.688 0.000 0.214 544 L C 2.401 179.164 176.870 -0.178 0.000 1.120 544 L CA 0.807 55.593 54.840 -0.090 0.000 0.799 544 L CB -0.318 41.590 42.059 -0.252 0.000 0.925 544 L HN 0.353 nan 8.230 nan 0.000 0.446 545 Q N -0.207 119.550 119.800 -0.071 0.000 2.508 545 Q HA -0.164 3.764 4.340 -0.688 0.000 0.214 545 Q C 1.524 177.512 176.000 -0.021 0.000 0.979 545 Q CA 0.950 56.733 55.803 -0.034 0.000 0.911 545 Q CB 0.167 28.968 28.738 0.105 0.000 0.969 545 Q HN 0.395 nan 8.270 nan 0.000 0.504 546 K N -0.202 120.186 120.400 -0.020 0.000 2.355 546 K HA 0.082 3.989 4.320 -0.688 0.000 0.198 546 K C 0.238 176.835 176.600 -0.005 0.000 1.039 546 K CA -0.041 56.246 56.287 -0.001 0.000 1.075 546 K CB 0.886 33.393 32.500 0.012 0.000 0.870 546 K HN 0.064 nan 8.250 nan 0.000 0.540 547 V N 0.478 120.383 119.914 -0.016 0.000 2.999 547 V HA 0.236 3.943 4.120 -0.688 0.000 0.307 547 V C -0.029 176.099 176.094 0.057 0.000 1.084 547 V CA -0.491 61.841 62.300 0.054 0.000 1.155 547 V CB 1.165 33.090 31.823 0.171 0.000 0.975 547 V HN 0.230 nan 8.190 nan 0.000 0.490 548 S N 2.141 117.923 115.700 0.137 0.000 2.547 548 S HA 0.500 4.557 4.470 -0.688 0.000 0.270 548 S C -0.230 174.506 174.600 0.226 0.000 1.150 548 S CA -0.380 57.895 58.200 0.124 0.000 0.850 548 S CB 1.172 64.410 63.200 0.063 0.000 1.118 548 S HN 0.865 nan 8.310 nan 0.000 0.461 549 F N 2.456 122.438 119.950 0.054 0.000 2.216 549 F HA -0.046 4.075 4.527 -0.676 0.000 0.300 549 F C 2.409 178.214 175.800 0.008 0.000 1.085 549 F CA 2.182 60.218 58.000 0.060 0.000 1.326 549 F CB -0.463 38.468 39.000 -0.115 0.000 1.027 549 F HN 0.688 nan 8.300 nan 0.000 0.497 550 S N 0.139 115.873 115.700 0.056 0.000 2.365 550 S HA -0.300 3.757 4.470 -0.688 0.000 0.225 550 S C 1.985 176.527 174.600 -0.096 0.000 1.039 550 S CA 1.660 59.839 58.200 -0.035 0.000 1.033 550 S CB -0.462 62.716 63.200 -0.037 0.000 0.887 550 S HN 0.348 nan 8.310 nan 0.000 0.447 551 R N 1.157 121.612 120.500 -0.075 0.000 2.075 551 R HA 0.040 3.968 4.340 -0.688 0.000 0.232 551 R C 2.157 178.351 176.300 -0.176 0.000 1.126 551 R CA 0.946 56.988 56.100 -0.098 0.000 0.963 551 R CB -0.901 29.361 30.300 -0.064 0.000 0.858 551 R HN 0.352 nan 8.270 nan 0.000 0.435 552 L N 0.464 121.542 121.223 -0.242 0.000 2.043 552 L HA -0.162 3.765 4.340 -0.688 0.000 0.212 552 L C 1.979 178.619 176.870 -0.384 0.000 1.075 552 L CA 1.839 56.451 54.840 -0.380 0.000 0.752 552 L CB -0.385 41.362 42.059 -0.520 0.000 0.891 552 L HN 0.326 nan 8.230 nan 0.000 0.432 553 I N -1.747 118.572 120.570 -0.417 0.000 2.142 553 I HA -0.391 3.366 4.170 -0.688 0.000 0.240 553 I C 2.554 178.562 176.117 -0.181 0.000 1.078 553 I CA 1.486 62.611 61.300 -0.291 0.000 1.343 553 I CB -0.604 37.266 38.000 -0.216 0.000 1.046 553 I HN 0.380 nan 8.210 nan 0.000 0.405 554 c N 0.794 119.311 118.600 -0.140 0.000 2.388 554 c HA -0.221 3.936 4.570 -0.688 0.000 0.277 554 c C 2.330 176.350 174.090 -0.117 0.000 1.210 554 c CA 1.042 57.315 56.329 -0.094 0.000 1.743 554 c CB -1.092 41.377 42.510 -0.069 0.000 2.047 554 c HN 0.521 nan 8.230 nan 0.000 0.458 555 D N 0.252 120.566 120.400 -0.144 0.000 2.371 555 D HA -0.030 4.197 4.640 -0.688 0.000 0.221 555 D C 1.212 177.408 176.300 -0.174 0.000 0.986 555 D CA 0.867 54.778 54.000 -0.148 0.000 0.899 555 D CB -0.427 40.278 40.800 -0.160 0.000 0.902 555 D HN 0.595 nan 8.370 nan 0.000 0.530 556 N N -0.481 118.097 118.700 -0.204 0.000 2.143 556 N HA 0.020 4.347 4.740 -0.688 0.000 0.229 556 N C 0.052 175.409 175.510 -0.254 0.000 1.294 556 N CA 0.188 53.105 53.050 -0.221 0.000 0.883 556 N CB 1.745 40.101 38.487 -0.219 0.000 1.148 556 N HN 0.180 nan 8.380 nan 0.000 0.511 557 T N -3.135 111.258 114.554 -0.268 0.000 2.778 557 T HA 0.386 4.323 4.350 -0.688 0.000 0.293 557 T C -0.136 174.357 174.700 -0.346 0.000 1.144 557 T CA -0.468 61.458 62.100 -0.291 0.000 1.010 557 T CB 1.536 70.306 68.868 -0.163 0.000 1.325 557 T HN 0.013 nan 8.240 nan 0.000 0.515 558 H N -0.266 118.776 119.070 -0.045 0.000 2.507 558 H HA 0.398 4.542 4.556 -0.687 0.000 0.294 558 H C 0.110 175.409 175.328 -0.048 0.000 1.064 558 H CA -0.626 55.394 56.048 -0.046 0.000 1.138 558 H CB 0.034 29.764 29.762 -0.053 0.000 1.515 558 H HN 0.314 nan 8.280 nan 0.000 0.547 559 I N 2.179 122.761 120.570 0.020 0.000 2.517 559 I HA -0.033 3.724 4.170 -0.688 0.000 0.285 559 I C 1.428 177.580 176.117 0.058 0.000 1.106 559 I CA 0.446 61.762 61.300 0.026 0.000 1.402 559 I CB 0.691 38.709 38.000 0.030 0.000 1.399 559 I HN 0.308 nan 8.210 nan 0.000 0.535 560 T N 2.173 116.777 114.554 0.085 0.000 3.023 560 T HA 0.201 4.138 4.350 -0.688 0.000 0.253 560 T C 0.676 175.460 174.700 0.140 0.000 1.038 560 T CA -0.092 62.063 62.100 0.090 0.000 0.962 560 T CB 0.442 69.354 68.868 0.073 0.000 1.018 560 T HN 0.385 nan 8.240 nan 0.000 0.521 561 K N 2.329 122.865 120.400 0.227 0.000 2.535 561 K HA 0.596 4.503 4.320 -0.688 0.000 0.253 561 K C -0.997 175.914 176.600 0.518 0.000 0.953 561 K CA -0.506 55.989 56.287 0.346 0.000 0.863 561 K CB 2.491 35.249 32.500 0.430 0.000 1.111 561 K HN 0.295 nan 8.250 nan 0.000 0.431 562 V N 0.222 120.360 119.914 0.373 0.000 3.078 562 V HA 0.666 4.373 4.120 -0.688 0.000 0.311 562 V C -2.897 173.110 176.094 -0.144 0.000 1.138 562 V CA -2.817 59.614 62.300 0.218 0.000 1.007 562 V CB 2.006 33.884 31.823 0.091 0.000 1.045 562 V HN 0.411 nan 8.190 nan 0.000 0.432 563 P HA 0.378 nan 4.420 nan 0.000 0.277 563 P C 0.459 177.572 177.300 -0.311 0.000 1.240 563 P CA -0.412 62.361 63.100 -0.546 0.000 0.798 563 P CB 0.932 32.244 31.700 -0.647 0.000 0.979 564 L N 1.116 122.129 121.223 -0.350 0.000 2.046 564 L HA -0.087 3.841 4.340 -0.688 0.000 0.208 564 L C 1.054 177.636 176.870 -0.480 0.000 1.077 564 L CA 1.906 56.473 54.840 -0.456 0.000 0.747 564 L CB -1.490 40.165 42.059 -0.674 0.000 0.896 564 L HN 0.440 nan 8.230 nan 0.000 0.432 565 H N -1.074 117.952 119.070 -0.073 0.000 2.691 565 H HA 0.413 4.555 4.556 -0.690 0.000 0.281 565 H C 0.935 176.244 175.328 -0.033 0.000 1.121 565 H CA 0.168 56.205 56.048 -0.018 0.000 1.254 565 H CB 0.918 30.671 29.762 -0.015 0.000 1.390 565 H HN 0.047 nan 8.280 nan 0.000 0.491 566 A N 2.740 125.600 122.820 0.067 0.000 2.067 566 A HA -0.033 3.874 4.320 -0.688 0.000 0.217 566 A C 1.450 178.947 177.584 -0.146 0.000 1.156 566 A CA 0.573 52.564 52.037 -0.076 0.000 0.683 566 A CB -0.370 18.575 19.000 -0.091 0.000 0.808 566 A HN 0.441 nan 8.150 nan 0.000 0.455 567 F N 0.658 120.618 119.950 0.017 0.000 2.234 567 F HA 0.004 4.108 4.527 -0.705 0.000 0.296 567 F C 1.781 177.581 175.800 -0.000 0.000 1.089 567 F CA 0.951 58.973 58.000 0.037 0.000 1.343 567 F CB -0.124 38.908 39.000 0.055 0.000 1.040 567 F HN 0.400 nan 8.300 nan 0.000 0.498 568 Q N 1.300 121.176 119.800 0.127 0.000 2.396 568 Q HA 0.514 4.441 4.340 -0.688 0.000 0.221 568 Q C -0.184 175.831 176.000 0.025 0.000 1.025 568 Q CA -0.678 55.142 55.803 0.029 0.000 0.946 568 Q CB 0.965 29.703 28.738 -0.001 0.000 1.224 568 Q HN 0.113 nan 8.270 nan 0.000 0.539 569 A N 2.079 124.910 122.820 0.018 0.000 2.492 569 A HA 0.233 4.141 4.320 -0.688 0.000 0.254 569 A C -0.851 176.754 177.584 0.035 0.000 1.091 569 A CA -0.251 51.810 52.037 0.040 0.000 0.768 569 A CB -0.519 18.508 19.000 0.045 0.000 1.028 569 A HN 0.804 nan 8.150 nan 0.000 0.498 570 N N 2.018 120.745 118.700 0.046 0.000 2.295 570 N HA 0.329 4.656 4.740 -0.688 0.000 0.293 570 N C -1.224 174.401 175.510 0.191 0.000 1.040 570 N CA -0.744 52.327 53.050 0.035 0.000 0.840 570 N CB 1.555 39.932 38.487 -0.184 0.000 1.468 570 N HN 0.682 nan 8.380 nan 0.000 0.478 571 N N 0.999 119.824 118.700 0.208 0.000 2.487 571 N HA 0.180 4.507 4.740 -0.688 0.000 0.292 571 N C -1.312 174.406 175.510 0.346 0.000 1.108 571 N CA -0.214 52.986 53.050 0.251 0.000 0.956 571 N CB 1.428 40.015 38.487 0.167 0.000 1.176 571 N HN 0.479 nan 8.380 nan 0.000 0.484 572 Y N 2.493 122.833 120.300 0.067 0.000 2.320 572 Y HA 0.327 4.464 4.550 -0.688 0.000 0.334 572 Y C -1.232 174.651 175.900 -0.028 0.000 1.055 572 Y CA -1.366 56.641 58.100 -0.155 0.000 1.143 572 Y CB 1.118 39.218 38.460 -0.600 0.000 1.193 572 Y HN 0.474 nan 8.280 nan 0.000 0.477 573 P HA 0.033 nan 4.420 nan 0.000 0.267 573 P C 0.812 177.969 177.300 -0.240 0.000 1.289 573 P CA 0.589 63.101 63.100 -0.980 0.000 0.866 573 P CB 0.253 31.334 31.700 -1.031 0.000 1.309 574 H N 1.657 120.649 119.070 -0.130 0.000 2.390 574 H HA -0.124 4.019 4.556 -0.688 0.000 0.298 574 H C 1.048 176.374 175.328 -0.003 0.000 1.106 574 H CA 2.076 58.094 56.048 -0.051 0.000 1.297 574 H CB -0.231 29.518 29.762 -0.021 0.000 1.375 574 H HN -0.022 nan 8.280 nan 0.000 0.509 575 D N -0.936 119.428 120.400 -0.059 0.000 2.350 575 D HA 0.011 4.239 4.640 -0.688 0.000 0.213 575 D C -0.446 175.740 176.300 -0.189 0.000 1.031 575 D CA 0.120 54.009 54.000 -0.185 0.000 0.861 575 D CB 0.007 40.735 40.800 -0.120 0.000 0.926 575 D HN 0.189 nan 8.370 nan 0.000 0.520 576 F N 1.139 120.990 119.950 -0.163 0.000 2.408 576 F HA 0.242 4.356 4.527 -0.689 0.000 0.344 576 F C 0.744 176.493 175.800 -0.086 0.000 1.112 576 F CA -1.175 56.772 58.000 -0.088 0.000 1.096 576 F CB 1.242 40.250 39.000 0.014 0.000 1.129 576 F HN -0.319 nan 8.300 nan 0.000 0.486 577 V N -0.365 119.586 119.914 0.062 0.000 3.096 577 V HA 0.572 4.280 4.120 -0.688 0.000 0.319 577 V C -0.558 175.585 176.094 0.081 0.000 1.103 577 V CA -1.008 61.311 62.300 0.032 0.000 1.016 577 V CB 1.778 33.580 31.823 -0.034 0.000 1.090 577 V HN 0.655 nan 8.190 nan 0.000 0.449 578 D N 0.669 121.104 120.400 0.059 0.000 2.372 578 D HA 0.178 4.405 4.640 -0.688 0.000 0.243 578 D C 0.936 177.260 176.300 0.040 0.000 1.121 578 D CA 0.211 54.251 54.000 0.065 0.000 0.898 578 D CB 1.314 42.142 40.800 0.047 0.000 1.202 578 D HN 0.725 nan 8.370 nan 0.000 0.428 579 c N 1.513 120.139 118.600 0.043 0.000 2.409 579 c HA -0.097 4.060 4.570 -0.688 0.000 0.288 579 c C 2.296 176.385 174.090 -0.001 0.000 1.395 579 c CA 0.769 57.108 56.329 0.017 0.000 1.792 579 c CB -1.237 41.283 42.510 0.016 0.000 1.847 579 c HN 0.601 nan 8.230 nan 0.000 0.534 580 S N 0.422 116.124 115.700 0.004 0.000 2.522 580 S HA 0.067 4.124 4.470 -0.688 0.000 0.227 580 S C 1.768 176.363 174.600 -0.009 0.000 0.986 580 S CA 0.833 59.031 58.200 -0.003 0.000 0.929 580 S CB -0.107 63.094 63.200 0.002 0.000 0.769 580 S HN 0.745 nan 8.310 nan 0.000 0.529 581 A N 0.976 123.789 122.820 -0.012 0.000 2.275 581 A HA 0.387 4.295 4.320 -0.688 0.000 0.212 581 A C 0.586 178.150 177.584 -0.033 0.000 1.201 581 A CA -0.072 51.952 52.037 -0.022 0.000 0.843 581 A CB 0.051 19.035 19.000 -0.025 0.000 0.873 581 A HN 0.266 nan 8.150 nan 0.000 0.492 582 V N 1.438 121.332 119.914 -0.033 0.000 2.370 582 V HA 0.180 3.888 4.120 -0.688 0.000 0.279 582 V C -0.654 175.421 176.094 -0.032 0.000 1.029 582 V CA -1.126 61.150 62.300 -0.041 0.000 0.870 582 V CB 0.799 32.595 31.823 -0.045 0.000 0.984 582 V HN 0.336 nan 8.190 nan 0.000 0.451 583 D N 3.868 124.252 120.400 -0.027 0.000 2.648 583 D HA 0.016 4.244 4.640 -0.688 0.000 0.229 583 D C 0.380 176.665 176.300 -0.024 0.000 1.119 583 D CA 1.020 55.009 54.000 -0.018 0.000 0.850 583 D CB 0.511 41.305 40.800 -0.010 0.000 1.169 583 D HN 0.490 nan 8.370 nan 0.000 0.489 584 K N 1.253 121.639 120.400 -0.024 0.000 2.090 584 K HA 0.361 4.269 4.320 -0.688 0.000 0.250 584 K C -0.387 176.193 176.600 -0.033 0.000 1.004 584 K CA -1.017 55.248 56.287 -0.037 0.000 0.919 584 K CB 0.920 33.398 32.500 -0.037 0.000 1.045 584 K HN 0.270 nan 8.250 nan 0.000 0.471 585 L N 2.231 123.419 121.223 -0.058 0.000 2.261 585 L HA 0.127 4.055 4.340 -0.688 0.000 0.289 585 L C -0.677 176.160 176.870 -0.055 0.000 1.059 585 L CA -0.106 54.697 54.840 -0.061 0.000 0.816 585 L CB 0.320 42.307 42.059 -0.119 0.000 1.191 585 L HN 0.421 nan 8.230 nan 0.000 0.431 586 D N 4.260 124.663 120.400 0.005 0.000 2.338 586 D HA 0.082 4.309 4.640 -0.688 0.000 0.255 586 D C 0.651 177.004 176.300 0.088 0.000 1.237 586 D CA 0.260 54.282 54.000 0.035 0.000 0.883 586 D CB 0.655 41.493 40.800 0.064 0.000 1.087 586 D HN 0.681 nan 8.370 nan 0.000 0.485 587 L N 2.990 124.226 121.223 0.021 0.000 2.612 587 L HA -0.003 3.924 4.340 -0.688 0.000 0.230 587 L C 2.158 179.181 176.870 0.254 0.000 1.140 587 L CA 0.088 54.947 54.840 0.033 0.000 0.896 587 L CB -0.239 41.709 42.059 -0.185 0.000 1.065 587 L HN 0.452 nan 8.230 nan 0.000 0.447 588 S N 0.264 116.083 115.700 0.199 0.000 2.370 588 S HA -0.095 3.963 4.470 -0.688 0.000 0.226 588 S C -0.564 174.161 174.600 0.209 0.000 1.033 588 S CA 0.747 59.043 58.200 0.161 0.000 1.011 588 S CB -1.732 61.525 63.200 0.095 0.000 0.852 588 S HN 0.240 nan 8.310 nan 0.000 0.457 589 P HA -0.023 nan 4.420 nan 0.000 0.234 589 P C 0.564 177.891 177.300 0.045 0.000 1.162 589 P CA 0.769 63.920 63.100 0.085 0.000 0.759 589 P CB -0.275 31.393 31.700 -0.053 0.000 0.813 590 W N -0.619 120.726 121.300 0.075 0.000 3.211 590 W HA 0.372 4.618 4.660 -0.689 0.000 0.292 590 W C 0.496 177.031 176.519 0.027 0.000 1.268 590 W CA -0.434 56.981 57.345 0.117 0.000 1.702 590 W CB 0.055 29.584 29.460 0.115 0.000 1.092 590 W HN -0.142 nan 8.180 nan 0.000 0.643 591 A N 1.487 124.407 122.820 0.167 0.000 2.515 591 A HA 0.166 4.073 4.320 -0.688 0.000 0.263 591 A C 0.367 178.002 177.584 0.085 0.000 1.096 591 A CA 0.646 52.707 52.037 0.040 0.000 0.769 591 A CB 0.170 19.192 19.000 0.037 0.000 1.040 591 A HN -0.033 nan 8.150 nan 0.000 0.505 592 S N 3.355 119.110 115.700 0.091 0.000 2.404 592 S HA 0.316 4.373 4.470 -0.688 0.000 0.309 592 S C 0.236 174.950 174.600 0.189 0.000 1.076 592 S CA -0.665 57.689 58.200 0.256 0.000 1.095 592 S CB -0.145 63.404 63.200 0.581 0.000 0.972 592 S HN 0.682 nan 8.310 nan 0.000 0.484 593 R N 3.544 124.109 120.500 0.108 0.000 2.308 593 R HA 0.231 4.158 4.340 -0.688 0.000 0.305 593 R C 0.838 177.147 176.300 0.016 0.000 1.053 593 R CA -0.736 55.387 56.100 0.039 0.000 0.957 593 R CB 0.738 31.055 30.300 0.029 0.000 1.022 593 R HN 0.671 nan 8.270 nan 0.000 0.461 594 E N 2.519 122.688 120.200 -0.051 0.000 1.999 594 E HA -0.064 3.873 4.350 -0.688 0.000 0.198 594 E C 0.398 176.986 176.600 -0.019 0.000 0.960 594 E CA 0.843 57.203 56.400 -0.067 0.000 0.870 594 E CB -0.381 29.242 29.700 -0.129 0.000 0.827 594 E HN 0.525 nan 8.360 nan 0.000 0.511 595 N N 0.000 118.687 118.700 -0.022 0.000 1.763 595 N HA 0.000 4.327 4.740 -0.688 0.000 0.220 595 N CA 0.000 53.045 53.050 -0.008 0.000 0.885 595 N CB 0.000 38.481 38.487 -0.010 0.000 1.341 595 N HN 0.000 nan 8.380 nan 0.000 0.667