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 2eie_1_A DATA FIRST_RESID 1 DATA SEQUENCE ASAPIGSAIS RNNWAVTcDS AQSGNEcNKA IDGNKDTFWH TFYGANGDPK DATA SEQUENCE PPHTYTIDMK TTQNVNGLSM LPRQDGNQNG WIGRHEVYLS SDGTNWGSPV DATA SEQUENCE ASGSWFADST TKYSNFETRP ARYVRLVAIT EANGQPWTSI AEINVFQASS DATA SEQUENCE YTAPQPGLGR WGPTIDLPIV PAAAAIEPTS GRVLMWSSYR NDAFGGSPGG DATA SEQUENCE ITLTSSWDPS TGIVSDRTVT VTKHDMFCPG ISMDGNGQIV VTGGNDAKKT DATA SEQUENCE SLYDSSSDSW IPGPDMQVAR GYQSSATMSD GRVFTIGGSW SGGVFEKNGE DATA SEQUENCE VYSPSSKTWT SLPNAKVNPM LTADKQGLYR SDNHAWLFGW KKGSVFQAGP DATA SEQUENCE STAMNWYYTS GSGDVKSAGK RQSNRGVAPD AMCGNAVMYD AVKGKILTFG DATA SEQUENCE GSPDYQDSDA TTNAHIITLG EPGTSPNTVF ASNGLYFART FHTSVVLPDG DATA SEQUENCE STFITGGQRR GIPFEDSTPV FTPEIYVPEQ DTFYKQNPNS IVRVYHSISL DATA SEQUENCE LLPDGRVFNG GGGLCGDCTT NHFDAQIFTP NYLYNSNGNL ATRPKITRTS DATA SEQUENCE TQSVKVGGRI TISTDSSISK ASLIRYGTAT HTVNTDQRRI PLTLTNNGGN DATA SEQUENCE SYSFQVPSDS GVALPGYWML FVMNSAGVPS VASTIRVTQ 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.645 177.584 0.101 0.000 1.274 1 A CA 0.000 52.075 52.037 0.063 0.000 0.836 1 A CB 0.000 19.008 19.000 0.013 0.000 0.831 2 S N -2.069 113.653 115.700 0.038 0.000 2.973 2 S HA 0.970 5.439 4.470 -0.001 0.000 0.317 2 S C -1.167 173.150 174.600 -0.471 0.000 1.196 2 S CA 0.598 58.703 58.200 -0.159 0.000 0.894 2 S CB 1.353 64.562 63.200 0.015 0.000 1.292 2 S HN 2.637 nan 8.310 nan 0.000 0.614 3 A N 1.431 123.729 122.820 -0.871 0.000 2.608 3 A HA 0.790 5.109 4.320 -0.001 0.000 0.292 3 A C -3.162 173.841 177.584 -0.968 0.000 1.066 3 A CA -1.125 50.387 52.037 -0.875 0.000 0.676 3 A CB 1.307 20.068 19.000 -0.399 0.000 1.277 3 A HN 0.530 nan 8.150 nan 0.000 0.413 4 P HA 0.441 nan 4.420 nan 0.000 0.278 4 P C 0.518 177.576 177.300 -0.403 0.000 1.258 4 P CA -0.456 62.237 63.100 -0.678 0.000 0.811 4 P CB 0.856 31.817 31.700 -1.233 0.000 1.063 5 I N -2.537 117.854 120.570 -0.299 0.000 3.427 5 I HA 0.314 4.483 4.170 -0.001 0.000 0.288 5 I C 0.871 176.920 176.117 -0.114 0.000 1.249 5 I CA 0.091 61.290 61.300 -0.168 0.000 1.421 5 I CB -0.213 37.704 38.000 -0.139 0.000 1.086 5 I HN 0.213 nan 8.210 nan 0.000 0.448 6 G N 0.568 109.314 108.800 -0.090 0.000 2.938 6 G HA2 0.611 4.570 3.960 -0.001 0.000 0.258 6 G HA3 0.611 4.570 3.960 -0.001 0.000 0.258 6 G C -1.128 173.915 174.900 0.239 0.000 1.356 6 G CA -0.568 44.576 45.100 0.073 0.000 1.052 6 G HN 0.165 nan 8.290 nan 0.000 0.550 7 S N -0.517 115.351 115.700 0.281 0.000 2.475 7 S HA 0.621 5.090 4.470 -0.001 0.000 0.298 7 S C 0.416 175.148 174.600 0.219 0.000 1.119 7 S CA -0.296 58.072 58.200 0.279 0.000 1.085 7 S CB 1.521 64.796 63.200 0.124 0.000 1.028 7 S HN 1.028 nan 8.310 nan 0.000 0.489 8 A N 3.387 126.252 122.820 0.075 0.000 2.548 8 A HA 0.290 4.609 4.320 -0.001 0.000 0.247 8 A C 0.110 177.573 177.584 -0.202 0.000 1.067 8 A CA 0.016 51.829 52.037 -0.373 0.000 0.757 8 A CB -0.539 18.273 19.000 -0.312 0.000 0.996 8 A HN 0.798 nan 8.150 nan 0.000 0.504 9 I N 2.126 122.575 120.570 -0.202 0.000 2.519 9 I HA 0.108 4.277 4.170 -0.001 0.000 0.287 9 I C 1.148 177.152 176.117 -0.188 0.000 1.047 9 I CA -0.046 61.226 61.300 -0.047 0.000 1.381 9 I CB 1.459 39.572 38.000 0.188 0.000 1.417 9 I HN 0.672 nan 8.210 nan 0.000 0.540 10 S N 5.032 120.636 115.700 -0.161 0.000 2.525 10 S HA 0.118 4.587 4.470 -0.001 0.000 0.285 10 S C 1.033 175.290 174.600 -0.571 0.000 1.283 10 S CA -0.203 57.830 58.200 -0.278 0.000 1.072 10 S CB 0.199 63.309 63.200 -0.149 0.000 0.867 10 S HN 0.554 nan 8.310 nan 0.000 0.492 11 R N 3.549 123.539 120.500 -0.850 0.000 2.334 11 R HA 0.140 4.479 4.340 -0.001 0.000 0.216 11 R C 1.319 177.223 176.300 -0.660 0.000 0.905 11 R CA -0.221 55.026 56.100 -1.423 0.000 1.064 11 R CB -0.101 29.392 30.300 -1.345 0.000 1.046 11 R HN 0.583 nan 8.270 nan 0.000 0.508 12 N N 1.702 120.192 118.700 -0.350 0.000 2.094 12 N HA -0.170 4.569 4.740 -0.001 0.000 0.191 12 N C 0.798 176.281 175.510 -0.045 0.000 1.023 12 N CA 1.274 54.234 53.050 -0.150 0.000 0.857 12 N CB -0.102 38.324 38.487 -0.102 0.000 1.013 12 N HN 0.328 nan 8.380 nan 0.000 0.426 13 N N -0.642 118.072 118.700 0.023 0.000 2.236 13 N HA -0.008 4.731 4.740 -0.001 0.000 0.196 13 N C -0.320 175.336 175.510 0.242 0.000 1.114 13 N CA -0.121 52.997 53.050 0.113 0.000 0.859 13 N CB 0.139 38.686 38.487 0.099 0.000 0.982 13 N HN 0.168 nan 8.380 nan 0.000 0.493 14 W N 2.008 123.296 121.300 -0.020 0.000 2.193 14 W HA 0.333 4.993 4.660 -0.001 0.000 0.338 14 W C 0.528 177.041 176.519 -0.011 0.000 1.310 14 W CA -1.201 56.134 57.345 -0.016 0.000 1.243 14 W CB 0.122 29.584 29.460 0.003 0.000 1.165 14 W HN -0.109 nan 8.180 nan 0.000 0.566 15 A N 3.486 126.403 122.820 0.161 0.000 2.330 15 A HA 0.768 5.088 4.320 -0.001 0.000 0.313 15 A C -0.908 176.691 177.584 0.025 0.000 1.124 15 A CA -0.687 51.394 52.037 0.074 0.000 0.774 15 A CB 0.974 19.994 19.000 0.033 0.000 1.198 15 A HN 0.687 nan 8.150 nan 0.000 0.465 16 V N -0.127 119.779 119.914 -0.013 0.000 2.864 16 V HA 0.966 5.086 4.120 -0.001 0.000 0.314 16 V C -0.329 175.608 176.094 -0.261 0.000 1.073 16 V CA -0.425 61.780 62.300 -0.159 0.000 0.956 16 V CB 1.643 33.355 31.823 -0.184 0.000 1.023 16 V HN 0.776 nan 8.190 nan 0.000 0.435 17 T N 2.225 116.534 114.554 -0.408 0.000 2.916 17 T HA 0.636 4.985 4.350 -0.001 0.000 0.298 17 T C -0.888 173.474 174.700 -0.564 0.000 1.031 17 T CA -0.258 61.626 62.100 -0.360 0.000 0.993 17 T CB 1.382 70.139 68.868 -0.185 0.000 1.045 17 T HN 1.032 nan 8.240 nan 0.000 0.454 18 c N 2.155 120.476 118.600 -0.465 0.000 2.707 18 c HA 0.433 5.002 4.570 -0.001 0.000 0.313 18 c C 1.685 175.694 174.090 -0.136 0.000 1.209 18 c CA -0.862 55.201 56.329 -0.444 0.000 1.635 18 c CB 1.815 43.943 42.510 -0.637 0.000 2.206 18 c HN 1.075 nan 8.230 nan 0.000 0.485 19 D N 1.031 121.440 120.400 0.014 0.000 2.218 19 D HA -0.078 4.561 4.640 -0.001 0.000 0.204 19 D C 0.519 176.795 176.300 -0.040 0.000 0.976 19 D CA 1.379 55.403 54.000 0.039 0.000 0.853 19 D CB 0.163 41.045 40.800 0.136 0.000 0.939 19 D HN 0.661 nan 8.370 nan 0.000 0.481 20 S N -1.433 114.241 115.700 -0.043 0.000 2.565 20 S HA 0.641 5.110 4.470 -0.001 0.000 0.274 20 S C -1.632 172.912 174.600 -0.093 0.000 1.144 20 S CA -0.482 57.449 58.200 -0.448 0.000 0.849 20 S CB 1.898 64.526 63.200 -0.954 0.000 1.103 20 S HN 0.605 nan 8.310 nan 0.000 0.455 21 A N 1.324 124.021 122.820 -0.205 0.000 2.491 21 A HA 0.719 5.038 4.320 -0.001 0.000 0.293 21 A C -0.842 176.951 177.584 0.347 0.000 1.047 21 A CA -0.553 51.639 52.037 0.258 0.000 0.735 21 A CB 1.675 20.911 19.000 0.392 0.000 1.281 21 A HN 0.942 nan 8.150 nan 0.000 0.398 22 Q N 1.133 121.154 119.800 0.367 0.000 2.373 22 Q HA 0.431 4.770 4.340 -0.001 0.000 0.255 22 Q C 0.543 176.633 176.000 0.150 0.000 0.980 22 Q CA 0.437 56.395 55.803 0.258 0.000 0.882 22 Q CB 0.886 29.669 28.738 0.075 0.000 1.249 22 Q HN 0.885 nan 8.270 nan 0.000 0.438 23 S N 2.370 118.107 115.700 0.063 0.000 2.525 23 S HA 0.375 4.844 4.470 -0.001 0.000 0.285 23 S C 0.903 175.502 174.600 -0.001 0.000 1.283 23 S CA 0.967 59.186 58.200 0.032 0.000 1.072 23 S CB -0.475 62.719 63.200 -0.011 0.000 0.867 23 S HN 1.043 nan 8.310 nan 0.000 0.492 24 G N 4.539 113.345 108.800 0.009 0.000 2.258 24 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.233 24 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.233 24 G C 0.096 174.967 174.900 -0.050 0.000 1.006 24 G CA 0.202 45.284 45.100 -0.030 0.000 0.620 24 G HN 0.723 nan 8.290 nan 0.000 0.511 25 N N 1.290 120.002 118.700 0.019 0.000 2.660 25 N HA 0.454 5.194 4.740 -0.001 0.000 0.316 25 N C -0.419 175.246 175.510 0.258 0.000 1.774 25 N CA -0.434 52.654 53.050 0.063 0.000 0.946 25 N CB 0.791 39.339 38.487 0.102 0.000 1.322 25 N HN 0.367 nan 8.380 nan 0.000 0.492 26 E N -0.184 120.139 120.200 0.206 0.000 2.422 26 E HA -0.051 4.298 4.350 -0.001 0.000 0.260 26 E C 0.853 177.642 176.600 0.315 0.000 1.108 26 E CA -0.132 56.409 56.400 0.235 0.000 0.943 26 E CB 0.517 30.294 29.700 0.127 0.000 0.961 26 E HN 0.243 nan 8.360 nan 0.000 0.443 27 c N 2.174 120.874 118.600 0.166 0.000 2.401 27 c HA -0.188 4.382 4.570 -0.001 0.000 0.276 27 c C 1.877 176.020 174.090 0.088 0.000 1.233 27 c CA 1.551 57.816 56.329 -0.107 0.000 1.753 27 c CB -1.308 40.985 42.510 -0.362 0.000 2.029 27 c HN 0.889 nan 8.230 nan 0.000 0.478 28 N N 0.148 118.905 118.700 0.095 0.000 2.550 28 N HA -0.065 4.674 4.740 -0.001 0.000 0.186 28 N C 1.240 176.847 175.510 0.163 0.000 1.110 28 N CA 0.817 53.949 53.050 0.137 0.000 0.912 28 N CB -0.624 37.913 38.487 0.084 0.000 0.968 28 N HN 0.391 nan 8.380 nan 0.000 0.448 29 K N 0.256 120.772 120.400 0.193 0.000 2.442 29 K HA 0.148 4.468 4.320 -0.001 0.000 0.198 29 K C 1.379 178.102 176.600 0.204 0.000 1.042 29 K CA 0.764 57.153 56.287 0.171 0.000 0.958 29 K CB -0.238 32.356 32.500 0.157 0.000 0.766 29 K HN 0.428 nan 8.250 nan 0.000 0.474 30 A N 1.033 124.013 122.820 0.266 0.000 2.208 30 A HA 0.044 4.363 4.320 -0.001 0.000 0.209 30 A C 1.571 179.227 177.584 0.120 0.000 1.161 30 A CA 0.328 52.483 52.037 0.198 0.000 0.782 30 A CB -0.356 18.723 19.000 0.133 0.000 0.816 30 A HN 0.381 nan 8.150 nan 0.000 0.477 31 I N -3.783 116.873 120.570 0.143 0.000 3.621 31 I HA 0.282 4.452 4.170 -0.001 0.000 0.325 31 I C 0.278 176.409 176.117 0.023 0.000 1.554 31 I CA 0.021 61.371 61.300 0.082 0.000 1.053 31 I CB 0.604 38.703 38.000 0.164 0.000 1.302 31 I HN 0.035 nan 8.210 nan 0.000 0.518 32 D N 1.049 121.471 120.400 0.037 0.000 2.350 32 D HA 0.148 4.787 4.640 -0.001 0.000 0.213 32 D C 1.639 177.934 176.300 -0.009 0.000 1.031 32 D CA 0.720 54.728 54.000 0.014 0.000 0.861 32 D CB 0.295 41.114 40.800 0.032 0.000 0.926 32 D HN 0.487 nan 8.370 nan 0.000 0.520 33 G N 0.371 109.163 108.800 -0.013 0.000 2.179 33 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.260 33 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.260 33 G C 0.017 174.917 174.900 -0.001 0.000 0.977 33 G CA 0.103 45.190 45.100 -0.023 0.000 0.641 33 G HN 0.570 nan 8.290 nan 0.000 0.533 34 N N 0.540 119.251 118.700 0.017 0.000 2.437 34 N HA 0.352 5.091 4.740 -0.001 0.000 0.259 34 N C 1.302 176.842 175.510 0.051 0.000 0.983 34 N CA -0.398 52.669 53.050 0.028 0.000 0.937 34 N CB 0.785 39.289 38.487 0.027 0.000 1.122 34 N HN 0.322 nan 8.380 nan 0.000 0.499 35 K N 1.394 121.822 120.400 0.046 0.000 2.362 35 K HA -0.021 4.298 4.320 -0.001 0.000 0.200 35 K C -0.127 176.535 176.600 0.103 0.000 1.046 35 K CA 0.793 57.116 56.287 0.061 0.000 0.952 35 K CB 0.459 32.981 32.500 0.036 0.000 0.753 35 K HN 0.511 nan 8.250 nan 0.000 0.466 36 D N 0.840 121.300 120.400 0.101 0.000 2.349 36 D HA -0.020 4.619 4.640 -0.001 0.000 0.214 36 D C 0.256 176.648 176.300 0.152 0.000 1.063 36 D CA 0.494 54.574 54.000 0.134 0.000 0.847 36 D CB 0.622 41.472 40.800 0.082 0.000 0.933 36 D HN 0.213 nan 8.370 nan 0.000 0.513 37 T N -0.860 113.772 114.554 0.131 0.000 2.856 37 T HA 0.645 4.995 4.350 -0.001 0.000 0.283 37 T C -0.376 174.424 174.700 0.166 0.000 1.008 37 T CA -0.931 61.185 62.100 0.027 0.000 0.997 37 T CB 1.476 70.346 68.868 0.002 0.000 0.992 37 T HN -0.000 nan 8.240 nan 0.000 0.454 38 F N -0.532 119.491 119.950 0.122 0.000 2.613 38 F HA 0.787 5.313 4.527 -0.001 0.000 0.310 38 F C -1.059 174.896 175.800 0.259 0.000 1.085 38 F CA -2.073 56.029 58.000 0.170 0.000 0.945 38 F CB 0.875 39.951 39.000 0.127 0.000 1.298 38 F HN 0.825 nan 8.300 nan 0.000 0.455 39 W N 3.993 125.508 121.300 0.357 0.000 2.261 39 W HA 0.564 5.223 4.660 -0.001 0.000 0.323 39 W C -1.417 175.370 176.519 0.447 0.000 1.243 39 W CA -0.249 57.286 57.345 0.316 0.000 1.210 39 W CB 0.457 30.115 29.460 0.329 0.000 1.149 39 W HN 0.793 nan 8.180 nan 0.000 0.562 40 H N 3.611 122.514 119.070 -0.279 0.000 2.947 40 H HA 0.219 4.774 4.556 -0.001 0.000 0.354 40 H C -0.249 174.843 175.328 -0.393 0.000 1.085 40 H CA -0.050 55.788 56.048 -0.350 0.000 1.253 40 H CB 1.640 31.486 29.762 0.140 0.000 1.757 40 H HN 0.540 nan 8.280 nan 0.000 0.523 41 T N 1.058 115.359 114.554 -0.421 0.000 2.726 41 T HA 0.196 4.545 4.350 -0.001 0.000 0.294 41 T C 0.690 175.624 174.700 0.391 0.000 1.013 41 T CA -0.594 61.417 62.100 -0.149 0.000 0.996 41 T CB 0.356 68.892 68.868 -0.553 0.000 1.016 41 T HN 0.195 nan 8.240 nan 0.000 0.529 42 F N 2.501 122.585 119.950 0.223 0.000 2.629 42 F HA 0.341 4.867 4.527 -0.001 0.000 0.377 42 F C 0.427 176.471 175.800 0.405 0.000 1.101 42 F CA -0.765 57.369 58.000 0.223 0.000 1.301 42 F CB -1.008 38.093 39.000 0.168 0.000 1.062 42 F HN 0.759 nan 8.300 nan 0.000 0.583 43 Y N -0.492 120.002 120.300 0.323 0.000 2.744 43 Y HA 0.692 5.242 4.550 -0.001 0.000 0.330 43 Y C 0.427 176.363 175.900 0.059 0.000 1.263 43 Y CA -1.146 57.079 58.100 0.208 0.000 1.065 43 Y CB 0.599 38.995 38.460 -0.107 0.000 1.306 43 Y HN 0.888 nan 8.280 nan 0.000 0.459 44 G N 1.101 110.044 108.800 0.239 0.000 2.629 44 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.313 44 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.313 44 G C 1.216 176.099 174.900 -0.028 0.000 1.217 44 G CA 1.721 46.859 45.100 0.064 0.000 0.994 44 G HN 1.907 nan 8.290 nan 0.000 0.549 45 A N 0.062 122.808 122.820 -0.124 0.000 2.019 45 A HA 0.004 4.323 4.320 -0.001 0.000 0.219 45 A C 2.009 179.490 177.584 -0.172 0.000 1.164 45 A CA 2.228 54.189 52.037 -0.127 0.000 0.644 45 A CB -0.550 18.364 19.000 -0.144 0.000 0.805 45 A HN 0.742 nan 8.150 nan 0.000 0.449 46 N N -0.960 117.583 118.700 -0.263 0.000 2.461 46 N HA 0.359 5.099 4.740 -0.001 0.000 0.188 46 N C 0.733 176.134 175.510 -0.182 0.000 1.134 46 N CA 0.350 53.148 53.050 -0.421 0.000 0.878 46 N CB 0.205 38.164 38.487 -0.881 0.000 0.972 46 N HN 0.664 nan 8.380 nan 0.000 0.456 47 G N 0.849 109.642 108.800 -0.012 0.000 2.757 47 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.638 47 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.638 47 G C -1.531 173.523 174.900 0.257 0.000 1.344 47 G CA -0.771 44.394 45.100 0.109 0.000 0.855 47 G HN 0.202 nan 8.290 nan 0.000 0.537 48 D N 1.867 122.431 120.400 0.273 0.000 2.517 48 D HA 0.312 4.952 4.640 -0.001 0.000 0.301 48 D C -2.167 174.258 176.300 0.208 0.000 1.202 48 D CA -0.752 53.460 54.000 0.353 0.000 0.910 48 D CB 1.340 42.346 40.800 0.344 0.000 1.021 48 D HN 0.379 nan 8.370 nan 0.000 0.499 49 P HA 0.043 nan 4.420 nan 0.000 0.267 49 P C 0.162 177.591 177.300 0.216 0.000 1.209 49 P CA -0.028 63.215 63.100 0.237 0.000 0.763 49 P CB 1.527 33.422 31.700 0.326 0.000 0.816 50 K N 4.287 124.712 120.400 0.043 0.000 2.149 50 K HA 0.277 4.597 4.320 -0.001 0.000 0.245 50 K C -2.068 174.356 176.600 -0.293 0.000 1.024 50 K CA -1.520 54.723 56.287 -0.074 0.000 0.899 50 K CB -0.598 31.843 32.500 -0.097 0.000 1.038 50 K HN 0.340 nan 8.250 nan 0.000 0.496 51 P HA 0.069 nan 4.420 nan 0.000 0.271 51 P C -2.458 174.655 177.300 -0.312 0.000 1.244 51 P CA -0.840 61.947 63.100 -0.522 0.000 0.793 51 P CB -0.155 31.427 31.700 -0.197 0.000 0.984 52 P HA 0.179 nan 4.420 nan 0.000 0.276 52 P C -0.849 176.298 177.300 -0.255 0.000 1.230 52 P CA 0.485 63.469 63.100 -0.194 0.000 0.776 52 P CB 0.366 32.021 31.700 -0.074 0.000 0.888 53 H N 0.660 119.797 119.070 0.111 0.000 2.495 53 H HA 0.490 5.045 4.556 -0.001 0.000 0.348 53 H C -0.225 175.250 175.328 0.244 0.000 1.113 53 H CA -0.198 55.965 56.048 0.192 0.000 1.195 53 H CB 1.698 31.590 29.762 0.218 0.000 1.521 53 H HN 0.256 nan 8.280 nan 0.000 0.509 54 T N 2.505 117.274 114.554 0.358 0.000 2.876 54 T HA 0.259 4.608 4.350 -0.001 0.000 0.289 54 T C -1.112 173.632 174.700 0.073 0.000 1.014 54 T CA -0.611 61.599 62.100 0.183 0.000 0.986 54 T CB 1.449 70.314 68.868 -0.005 0.000 1.021 54 T HN 0.408 nan 8.240 nan 0.000 0.458 55 Y N 1.924 122.172 120.300 -0.088 0.000 2.326 55 Y HA 0.489 5.038 4.550 -0.001 0.000 0.331 55 Y C -0.390 175.415 175.900 -0.159 0.000 0.962 55 Y CA -0.481 57.458 58.100 -0.269 0.000 1.167 55 Y CB 1.261 39.566 38.460 -0.257 0.000 1.148 55 Y HN 0.600 nan 8.280 nan 0.000 0.463 56 T N 7.314 121.689 114.554 -0.298 0.000 2.807 56 T HA 0.596 4.945 4.350 -0.001 0.000 0.279 56 T C -0.552 174.096 174.700 -0.085 0.000 0.993 56 T CA -0.475 61.558 62.100 -0.112 0.000 0.970 56 T CB 0.795 69.604 68.868 -0.097 0.000 0.950 56 T HN 0.448 nan 8.240 nan 0.000 0.441 57 I N 2.614 123.204 120.570 0.035 0.000 2.433 57 I HA 0.351 4.520 4.170 -0.001 0.000 0.292 57 I C -0.542 175.488 176.117 -0.144 0.000 1.001 57 I CA -0.822 60.418 61.300 -0.099 0.000 1.119 57 I CB 1.787 39.612 38.000 -0.292 0.000 1.289 57 I HN 0.485 nan 8.210 nan 0.000 0.438 58 D N 6.854 127.125 120.400 -0.216 0.000 2.427 58 D HA 0.330 4.969 4.640 -0.001 0.000 0.226 58 D C 0.422 176.426 176.300 -0.493 0.000 1.076 58 D CA -0.360 53.421 54.000 -0.366 0.000 0.849 58 D CB 1.237 41.935 40.800 -0.171 0.000 1.052 58 D HN 0.448 nan 8.370 nan 0.000 0.515 59 M N 2.647 121.864 119.600 -0.639 0.000 2.618 59 M HA -0.021 4.458 4.480 -0.001 0.000 0.240 59 M C 0.924 177.103 176.300 -0.202 0.000 1.123 59 M CA 0.019 54.980 55.300 -0.564 0.000 1.060 59 M CB 0.055 32.368 32.600 -0.478 0.000 1.535 59 M HN 0.287 nan 8.290 nan 0.000 0.507 60 K N -1.737 118.502 120.400 -0.268 0.000 3.870 60 K HA -0.151 4.169 4.320 -0.001 0.000 0.370 60 K C 0.197 176.719 176.600 -0.129 0.000 0.607 60 K CA 1.889 58.081 56.287 -0.159 0.000 1.617 60 K CB -2.063 30.415 32.500 -0.036 0.000 1.221 60 K HN 0.400 nan 8.250 nan 0.000 0.485 61 T N 1.407 115.903 114.554 -0.098 0.000 2.924 61 T HA 0.420 4.769 4.350 -0.001 0.000 0.291 61 T C -0.275 174.380 174.700 -0.075 0.000 1.045 61 T CA -0.478 61.586 62.100 -0.060 0.000 1.015 61 T CB 2.349 71.213 68.868 -0.006 0.000 1.103 61 T HN 0.044 nan 8.240 nan 0.000 0.496 62 T N 3.895 118.419 114.554 -0.051 0.000 2.851 62 T HA 0.330 4.679 4.350 -0.001 0.000 0.298 62 T C -0.173 174.518 174.700 -0.015 0.000 0.977 62 T CA -0.569 61.506 62.100 -0.043 0.000 1.126 62 T CB 0.351 69.199 68.868 -0.033 0.000 0.916 62 T HN 0.322 nan 8.240 nan 0.000 0.529 63 Q N 2.151 121.946 119.800 -0.008 0.000 2.413 63 Q HA 0.362 4.701 4.340 -0.001 0.000 0.276 63 Q C -0.520 175.493 176.000 0.023 0.000 1.099 63 Q CA -0.948 54.870 55.803 0.025 0.000 0.814 63 Q CB 1.358 30.128 28.738 0.053 0.000 1.379 63 Q HN 0.451 nan 8.270 nan 0.000 0.436 64 N N 1.006 119.731 118.700 0.042 0.000 3.124 64 N HA 0.122 4.861 4.740 -0.001 0.000 0.284 64 N C -0.534 175.028 175.510 0.088 0.000 1.209 64 N CA 0.007 53.084 53.050 0.046 0.000 1.149 64 N CB 0.296 38.835 38.487 0.087 0.000 1.434 64 N HN 0.228 nan 8.380 nan 0.000 0.529 65 V N 2.565 122.547 119.914 0.113 0.000 2.540 65 V HA -0.018 4.101 4.120 -0.001 0.000 0.297 65 V C 1.198 177.411 176.094 0.198 0.000 1.024 65 V CA -0.016 62.395 62.300 0.185 0.000 1.105 65 V CB 0.275 32.263 31.823 0.276 0.000 0.938 65 V HN 0.610 nan 8.190 nan 0.000 0.482 66 N N 2.849 121.552 118.700 0.005 0.000 2.305 66 N HA 0.397 5.136 4.740 -0.001 0.000 0.248 66 N C -0.119 174.910 175.510 -0.802 0.000 1.290 66 N CA 0.421 53.309 53.050 -0.270 0.000 0.873 66 N CB 1.445 39.878 38.487 -0.090 0.000 1.261 66 N HN 0.861 nan 8.380 nan 0.000 0.504 67 G N 0.055 108.320 108.800 -0.891 0.000 2.336 67 G HA2 0.436 4.395 3.960 -0.001 0.000 0.300 67 G HA3 0.436 4.395 3.960 -0.001 0.000 0.300 67 G C -2.292 172.702 174.900 0.158 0.000 1.375 67 G CA -0.516 44.192 45.100 -0.653 0.000 0.885 67 G HN 0.500 nan 8.290 nan 0.000 0.599 68 L N -1.845 119.579 121.223 0.335 0.000 2.479 68 L HA 1.016 5.355 4.340 -0.001 0.000 0.255 68 L C -0.086 177.042 176.870 0.430 0.000 1.026 68 L CA -0.877 54.270 54.840 0.511 0.000 0.842 68 L CB 1.640 43.958 42.059 0.432 0.000 1.444 68 L HN 1.559 nan 8.230 nan 0.000 0.409 69 S N 1.287 117.218 115.700 0.386 0.000 2.548 69 S HA 0.889 5.358 4.470 -0.001 0.000 0.286 69 S C -0.763 173.759 174.600 -0.130 0.000 1.098 69 S CA -0.626 57.569 58.200 -0.008 0.000 0.930 69 S CB 1.918 65.124 63.200 0.011 0.000 1.070 69 S HN 1.036 nan 8.310 nan 0.000 0.480 70 M N 3.343 122.687 119.600 -0.427 0.000 2.106 70 M HA 0.469 4.948 4.480 -0.001 0.000 0.288 70 M C -2.246 173.790 176.300 -0.440 0.000 0.941 70 M CA -1.017 54.053 55.300 -0.383 0.000 0.934 70 M CB 1.249 33.558 32.600 -0.484 0.000 1.551 70 M HN 0.898 nan 8.290 nan 0.000 0.437 71 L N 9.747 130.815 121.223 -0.258 0.000 2.257 71 L HA 0.658 4.997 4.340 -0.001 0.000 0.290 71 L C -2.304 174.482 176.870 -0.141 0.000 1.044 71 L CA -1.056 53.654 54.840 -0.217 0.000 0.810 71 L CB 1.005 42.989 42.059 -0.126 0.000 1.193 71 L HN 0.439 nan 8.230 nan 0.000 0.425 72 P HA 0.168 nan 4.420 nan 0.000 0.277 72 P C -1.066 176.220 177.300 -0.024 0.000 1.271 72 P CA -0.700 62.359 63.100 -0.068 0.000 0.795 72 P CB 0.413 32.039 31.700 -0.124 0.000 1.101 73 R N 0.686 121.150 120.500 -0.061 0.000 2.583 73 R HA 0.008 4.348 4.340 -0.001 0.000 0.274 73 R C 0.293 176.571 176.300 -0.037 0.000 0.998 73 R CA 0.128 56.092 56.100 -0.228 0.000 1.081 73 R CB -0.425 29.400 30.300 -0.791 0.000 0.940 73 R HN 0.365 nan 8.270 nan 0.000 0.413 74 Q N 1.952 121.758 119.800 0.010 0.000 2.189 74 Q HA -0.002 4.337 4.340 -0.001 0.000 0.221 74 Q C -0.227 175.803 176.000 0.051 0.000 0.848 74 Q CA 0.184 56.014 55.803 0.044 0.000 1.007 74 Q CB 0.759 29.525 28.738 0.048 0.000 1.116 74 Q HN 0.787 nan 8.270 nan 0.000 0.481 75 D N -1.149 119.270 120.400 0.031 0.000 2.342 75 D HA 0.102 4.741 4.640 -0.001 0.000 0.221 75 D C 1.176 177.481 176.300 0.009 0.000 1.101 75 D CA 0.435 54.460 54.000 0.041 0.000 0.837 75 D CB 0.177 41.033 40.800 0.092 0.000 0.938 75 D HN 0.242 nan 8.370 nan 0.000 0.508 76 G N 0.334 109.144 108.800 0.017 0.000 2.205 76 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.261 76 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.261 76 G C 0.138 175.012 174.900 -0.044 0.000 0.980 76 G CA 0.110 45.220 45.100 0.017 0.000 0.632 76 G HN 0.590 nan 8.290 nan 0.000 0.533 77 N N 0.637 119.263 118.700 -0.123 0.000 2.487 77 N HA 0.350 5.089 4.740 -0.001 0.000 0.292 77 N C 1.557 176.771 175.510 -0.493 0.000 1.108 77 N CA 0.268 53.162 53.050 -0.261 0.000 0.956 77 N CB 0.995 39.329 38.487 -0.256 0.000 1.176 77 N HN 0.563 nan 8.380 nan 0.000 0.484 78 Q N 1.127 120.466 119.800 -0.767 0.000 2.408 78 Q HA 0.155 4.495 4.340 -0.001 0.000 0.205 78 Q C -0.551 174.739 176.000 -1.183 0.000 0.919 78 Q CA -0.001 54.830 55.803 -1.621 0.000 0.932 78 Q CB 0.013 27.803 28.738 -1.580 0.000 1.058 78 Q HN 0.338 nan 8.270 nan 0.000 0.517 79 N N 1.709 120.048 118.700 -0.603 0.000 2.414 79 N HA 0.160 4.899 4.740 -0.001 0.000 0.268 79 N C 0.654 176.016 175.510 -0.247 0.000 1.286 79 N CA 1.416 54.301 53.050 -0.275 0.000 0.896 79 N CB 0.920 39.228 38.487 -0.299 0.000 1.093 79 N HN 0.563 nan 8.380 nan 0.000 0.480 80 G N 1.073 109.827 108.800 -0.077 0.000 2.195 80 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.224 80 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.224 80 G C -0.486 174.448 174.900 0.055 0.000 0.990 80 G CA -0.669 44.373 45.100 -0.098 0.000 0.639 80 G HN 0.441 nan 8.290 nan 0.000 0.514 81 W N 1.636 122.901 121.300 -0.059 0.000 2.347 81 W HA 0.480 5.140 4.660 -0.001 0.000 0.333 81 W C 1.054 177.599 176.519 0.043 0.000 1.383 81 W CA -0.941 56.383 57.345 -0.034 0.000 1.283 81 W CB -0.324 29.108 29.460 -0.047 0.000 1.253 81 W HN 0.145 nan 8.180 nan 0.000 0.563 82 I N 4.444 125.206 120.570 0.320 0.000 2.471 82 I HA 0.118 4.287 4.170 -0.001 0.000 0.286 82 I C 1.303 177.632 176.117 0.353 0.000 1.079 82 I CA 0.386 61.885 61.300 0.331 0.000 1.398 82 I CB 0.367 38.620 38.000 0.422 0.000 1.403 82 I HN 0.546 nan 8.210 nan 0.000 0.530 83 G N 6.726 115.680 108.800 0.257 0.000 2.756 83 G HA2 0.202 4.161 3.960 -0.001 0.000 0.203 83 G HA3 0.202 4.161 3.960 -0.001 0.000 0.203 83 G C 0.399 175.426 174.900 0.212 0.000 2.015 83 G CA -0.455 44.777 45.100 0.220 0.000 0.835 83 G HN 0.472 nan 8.290 nan 0.000 0.648 84 R N 1.535 122.109 120.500 0.123 0.000 2.537 84 R HA 0.319 4.658 4.340 -0.001 0.000 0.280 84 R C -0.238 176.081 176.300 0.031 0.000 1.058 84 R CA 0.161 56.279 56.100 0.031 0.000 1.057 84 R CB 0.401 30.705 30.300 0.006 0.000 0.973 84 R HN 0.782 nan 8.270 nan 0.000 0.438 85 H N -0.136 118.821 119.070 -0.188 0.000 2.960 85 H HA 0.481 5.036 4.556 -0.001 0.000 0.323 85 H C -1.205 174.021 175.328 -0.170 0.000 1.326 85 H CA -1.112 54.818 56.048 -0.197 0.000 1.124 85 H CB 1.698 31.215 29.762 -0.408 0.000 1.853 85 H HN 0.534 nan 8.280 nan 0.000 0.536 86 E N 0.688 120.851 120.200 -0.061 0.000 2.331 86 E HA 0.481 4.831 4.350 -0.001 0.000 0.275 86 E C -1.327 175.262 176.600 -0.019 0.000 0.895 86 E CA -1.052 55.271 56.400 -0.129 0.000 0.753 86 E CB 3.561 33.212 29.700 -0.081 0.000 1.216 86 E HN 0.308 nan 8.360 nan 0.000 0.434 87 V N 2.854 122.678 119.914 -0.150 0.000 2.444 87 V HA 0.419 4.538 4.120 -0.001 0.000 0.294 87 V C -1.274 174.693 176.094 -0.211 0.000 1.022 87 V CA -0.741 61.542 62.300 -0.028 0.000 0.850 87 V CB 0.476 32.349 31.823 0.083 0.000 0.992 87 V HN 0.570 nan 8.190 nan 0.000 0.426 88 Y N 4.307 124.614 120.300 0.012 0.000 2.524 88 Y HA 0.765 5.314 4.550 -0.001 0.000 0.344 88 Y C -0.065 175.998 175.900 0.271 0.000 1.012 88 Y CA -0.907 57.260 58.100 0.110 0.000 1.068 88 Y CB 1.908 40.460 38.460 0.154 0.000 1.249 88 Y HN 0.400 nan 8.280 nan 0.000 0.468 89 L N 1.492 122.980 121.223 0.442 0.000 2.354 89 L HA 0.793 5.132 4.340 -0.001 0.000 0.264 89 L C -0.416 176.587 176.870 0.221 0.000 1.008 89 L CA -0.740 54.300 54.840 0.334 0.000 0.819 89 L CB 2.285 44.428 42.059 0.140 0.000 1.339 89 L HN 0.641 nan 8.230 nan 0.000 0.420 90 S N -0.897 114.820 115.700 0.028 0.000 2.570 90 S HA 0.424 4.894 4.470 -0.001 0.000 0.270 90 S C 0.137 174.685 174.600 -0.085 0.000 1.149 90 S CA 0.074 58.109 58.200 -0.274 0.000 0.837 90 S CB 1.893 64.439 63.200 -1.090 0.000 1.124 90 S HN 0.708 nan 8.310 nan 0.000 0.465 91 S N 0.813 116.437 115.700 -0.128 0.000 2.505 91 S HA 0.163 4.633 4.470 -0.001 0.000 0.216 91 S C 0.529 175.142 174.600 0.022 0.000 1.018 91 S CA 0.757 58.955 58.200 -0.003 0.000 0.911 91 S CB -0.196 62.977 63.200 -0.045 0.000 0.818 91 S HN 0.778 nan 8.310 nan 0.000 0.497 92 D N -0.415 119.830 120.400 -0.258 0.000 2.498 92 D HA 0.316 4.955 4.640 -0.001 0.000 0.223 92 D C 1.388 177.132 176.300 -0.927 0.000 1.125 92 D CA 0.538 54.322 54.000 -0.360 0.000 0.835 92 D CB -0.434 40.202 40.800 -0.273 0.000 1.086 92 D HN 0.475 nan 8.370 nan 0.000 0.510 93 G N -0.586 107.304 108.800 -1.516 0.000 2.148 93 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.254 93 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.254 93 G C 0.953 175.334 174.900 -0.865 0.000 0.981 93 G CA 1.007 45.081 45.100 -1.710 0.000 0.670 93 G HN 0.421 nan 8.290 nan 0.000 0.528 94 T N -0.625 113.460 114.554 -0.782 0.000 3.125 94 T HA 0.172 4.521 4.350 -0.001 0.000 0.252 94 T C 0.676 175.125 174.700 -0.419 0.000 0.981 94 T CA 0.238 62.105 62.100 -0.389 0.000 1.069 94 T CB 0.211 68.929 68.868 -0.249 0.000 1.091 94 T HN 0.289 nan 8.240 nan 0.000 0.460 95 N N 0.897 119.279 118.700 -0.531 0.000 2.457 95 N HA 0.186 4.925 4.740 -0.001 0.000 0.250 95 N C -0.738 174.496 175.510 -0.460 0.000 0.982 95 N CA -0.132 52.716 53.050 -0.336 0.000 0.941 95 N CB 1.104 39.468 38.487 -0.205 0.000 1.120 95 N HN 0.417 nan 8.380 nan 0.000 0.505 96 W N 1.807 123.062 121.300 -0.074 0.000 3.114 96 W HA 0.235 4.894 4.660 -0.001 0.000 0.279 96 W C 1.661 178.254 176.519 0.124 0.000 1.277 96 W CA 0.326 57.661 57.345 -0.016 0.000 1.630 96 W CB 0.143 29.492 29.460 -0.186 0.000 1.087 96 W HN 0.692 nan 8.180 nan 0.000 0.637 97 G N 0.881 109.828 108.800 0.245 0.000 2.566 97 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.280 97 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.280 97 G C 0.136 175.223 174.900 0.312 0.000 1.225 97 G CA 0.225 45.450 45.100 0.209 0.000 0.966 97 G HN 0.065 nan 8.290 nan 0.000 0.560 98 S N 2.365 118.185 115.700 0.199 0.000 2.617 98 S HA 0.655 5.124 4.470 -0.001 0.000 0.283 98 S C -2.317 172.235 174.600 -0.079 0.000 1.189 98 S CA -0.601 57.669 58.200 0.117 0.000 1.036 98 S CB 1.795 65.026 63.200 0.053 0.000 1.014 98 S HN 0.638 nan 8.310 nan 0.000 0.522 99 P HA 0.047 nan 4.420 nan 0.000 0.268 99 P C 0.827 177.917 177.300 -0.349 0.000 1.204 99 P CA -0.294 62.401 63.100 -0.675 0.000 0.768 99 P CB 0.354 31.659 31.700 -0.659 0.000 0.842 100 V N 0.369 120.044 119.914 -0.398 0.000 3.129 100 V HA 0.419 4.539 4.120 -0.001 0.000 0.259 100 V C 0.621 176.513 176.094 -0.338 0.000 1.116 100 V CA 0.988 63.040 62.300 -0.414 0.000 1.127 100 V CB -1.074 30.279 31.823 -0.782 0.000 0.742 100 V HN 0.572 nan 8.190 nan 0.000 0.474 101 A N 0.091 122.739 122.820 -0.287 0.000 2.566 101 A HA 0.816 5.135 4.320 -0.001 0.000 0.297 101 A C -0.431 177.048 177.584 -0.174 0.000 1.059 101 A CA 0.249 52.219 52.037 -0.110 0.000 0.691 101 A CB 1.533 20.599 19.000 0.111 0.000 1.282 101 A HN 1.210 nan 8.150 nan 0.000 0.401 102 S N 0.345 115.933 115.700 -0.187 0.000 2.565 102 S HA 0.988 5.457 4.470 -0.001 0.000 0.269 102 S C -0.017 174.374 174.600 -0.348 0.000 1.153 102 S CA 0.331 58.341 58.200 -0.317 0.000 0.835 102 S CB 1.173 64.263 63.200 -0.183 0.000 1.122 102 S HN 2.841 nan 8.310 nan 0.000 0.462 103 G N 0.794 109.283 108.800 -0.517 0.000 2.347 103 G HA2 0.464 4.423 3.960 -0.001 0.000 0.224 103 G HA3 0.464 4.423 3.960 -0.001 0.000 0.224 103 G C -0.746 173.905 174.900 -0.414 0.000 1.318 103 G CA 0.117 45.034 45.100 -0.304 0.000 1.016 103 G HN 2.204 nan 8.290 nan 0.000 0.469 104 S N -1.113 114.515 115.700 -0.120 0.000 2.569 104 S HA 0.781 5.250 4.470 -0.001 0.000 0.280 104 S C -1.571 173.166 174.600 0.229 0.000 1.111 104 S CA -0.609 57.626 58.200 0.058 0.000 0.887 104 S CB 2.241 65.511 63.200 0.117 0.000 1.095 104 S HN 0.924 nan 8.310 nan 0.000 0.476 105 W N 1.381 122.836 121.300 0.258 0.000 2.627 105 W HA 0.530 5.189 4.660 -0.001 0.000 0.339 105 W C -0.140 176.421 176.519 0.071 0.000 1.058 105 W CA -2.122 55.290 57.345 0.112 0.000 1.223 105 W CB 1.109 30.547 29.460 -0.038 0.000 1.389 105 W HN 0.760 nan 8.180 nan 0.000 0.541 106 F N 1.956 121.977 119.950 0.118 0.000 2.545 106 F HA 0.308 4.834 4.527 -0.001 0.000 0.348 106 F C 0.820 176.561 175.800 -0.099 0.000 1.163 106 F CA -0.033 57.960 58.000 -0.012 0.000 1.331 106 F CB 0.733 39.661 39.000 -0.121 0.000 1.138 106 F HN 0.352 nan 8.300 nan 0.000 0.602 107 A N 4.829 127.088 122.820 -0.937 0.000 2.915 107 A HA 0.404 4.723 4.320 -0.001 0.000 0.292 107 A C -0.986 176.112 177.584 -0.809 0.000 1.632 107 A CA 0.074 51.745 52.037 -0.611 0.000 1.337 107 A CB -1.287 17.539 19.000 -0.290 0.000 1.111 107 A HN 0.728 nan 8.150 nan 0.000 0.569 108 D N -1.219 118.517 120.400 -1.107 0.000 2.692 108 D HA 0.244 4.884 4.640 -0.001 0.000 0.303 108 D C 0.311 175.754 176.300 -1.429 0.000 1.278 108 D CA 0.161 53.488 54.000 -1.121 0.000 0.852 108 D CB 0.098 40.767 40.800 -0.219 0.000 1.375 108 D HN 0.133 nan 8.370 nan 0.000 0.453 109 S N -1.665 113.598 115.700 -0.728 0.000 2.634 109 S HA 0.199 4.668 4.470 -0.001 0.000 0.221 109 S C 0.692 175.101 174.600 -0.318 0.000 0.952 109 S CA 0.173 58.115 58.200 -0.429 0.000 0.930 109 S CB -1.255 61.922 63.200 -0.039 0.000 0.780 109 S HN 0.772 nan 8.310 nan 0.000 0.498 110 T N 0.177 114.523 114.554 -0.345 0.000 2.868 110 T HA 0.348 4.698 4.350 -0.001 0.000 0.292 110 T C 0.137 174.616 174.700 -0.367 0.000 1.028 110 T CA -0.424 61.509 62.100 -0.279 0.000 1.059 110 T CB 0.544 69.267 68.868 -0.242 0.000 0.991 110 T HN 0.145 nan 8.240 nan 0.000 0.531 111 T N 3.940 118.299 114.554 -0.325 0.000 2.902 111 T HA 0.227 4.576 4.350 -0.001 0.000 0.301 111 T C 0.274 174.556 174.700 -0.696 0.000 1.012 111 T CA -0.384 61.424 62.100 -0.486 0.000 1.151 111 T CB 0.146 68.764 68.868 -0.418 0.000 0.946 111 T HN 0.447 nan 8.240 nan 0.000 0.542 112 K N 2.526 122.346 120.400 -0.967 0.000 2.156 112 K HA 0.536 4.855 4.320 -0.001 0.000 0.250 112 K C -0.957 174.971 176.600 -1.119 0.000 0.955 112 K CA -0.586 55.003 56.287 -1.164 0.000 0.855 112 K CB 1.523 32.838 32.500 -1.975 0.000 1.101 112 K HN 0.553 nan 8.250 nan 0.000 0.434 113 Y N -0.994 119.107 120.300 -0.331 0.000 2.576 113 Y HA 0.366 4.915 4.550 -0.001 0.000 0.346 113 Y C -0.044 176.079 175.900 0.372 0.000 1.018 113 Y CA -0.857 57.246 58.100 0.005 0.000 1.050 113 Y CB 2.469 40.903 38.460 -0.044 0.000 1.280 113 Y HN 0.342 nan 8.280 nan 0.000 0.474 114 S N 2.269 118.277 115.700 0.512 0.000 2.652 114 S HA 0.341 4.810 4.470 -0.001 0.000 0.252 114 S C -1.278 173.488 174.600 0.278 0.000 1.219 114 S CA -0.872 57.644 58.200 0.527 0.000 1.151 114 S CB 0.008 63.601 63.200 0.654 0.000 1.080 114 S HN 0.476 nan 8.310 nan 0.000 0.481 115 N N 3.353 122.166 118.700 0.188 0.000 2.419 115 N HA 0.683 5.422 4.740 -0.001 0.000 0.277 115 N C -0.772 174.773 175.510 0.059 0.000 1.006 115 N CA -0.194 52.825 53.050 -0.051 0.000 0.923 115 N CB 1.083 39.558 38.487 -0.021 0.000 1.140 115 N HN 0.545 nan 8.380 nan 0.000 0.488 116 F N -1.487 118.512 119.950 0.082 0.000 2.685 116 F HA 0.501 5.028 4.527 -0.001 0.000 0.315 116 F C 0.055 175.888 175.800 0.054 0.000 1.126 116 F CA -1.297 56.742 58.000 0.066 0.000 0.950 116 F CB 0.634 39.685 39.000 0.085 0.000 1.360 116 F HN -0.032 nan 8.300 nan 0.000 0.469 117 E N 1.138 121.542 120.200 0.340 0.000 2.452 117 E HA 0.094 4.444 4.350 -0.001 0.000 0.261 117 E C -0.249 176.539 176.600 0.314 0.000 0.987 117 E CA 0.130 56.672 56.400 0.236 0.000 0.926 117 E CB 0.487 30.323 29.700 0.227 0.000 0.934 117 E HN 0.649 nan 8.360 nan 0.000 0.452 118 T N 3.780 118.467 114.554 0.223 0.000 2.866 118 T HA 0.037 4.387 4.350 -0.001 0.000 0.293 118 T C 0.673 175.518 174.700 0.242 0.000 1.005 118 T CA 0.598 62.845 62.100 0.245 0.000 1.162 118 T CB 0.234 69.258 68.868 0.260 0.000 0.968 118 T HN 0.287 nan 8.240 nan 0.000 0.530 119 R N 3.975 124.547 120.500 0.120 0.000 2.510 119 R HA 0.336 4.676 4.340 -0.001 0.000 0.287 119 R C -3.173 173.042 176.300 -0.142 0.000 1.084 119 R CA -2.039 54.014 56.100 -0.078 0.000 0.934 119 R CB 1.572 31.899 30.300 0.045 0.000 1.201 119 R HN 0.314 nan 8.270 nan 0.000 0.431 120 P HA 0.166 nan 4.420 nan 0.000 0.267 120 P C -1.442 175.797 177.300 -0.102 0.000 1.209 120 P CA 0.203 63.170 63.100 -0.222 0.000 0.763 120 P CB 1.346 32.858 31.700 -0.314 0.000 0.816 121 A N 3.236 126.033 122.820 -0.038 0.000 2.605 121 A HA 0.519 4.838 4.320 -0.001 0.000 0.294 121 A C 0.378 177.947 177.584 -0.025 0.000 1.062 121 A CA -0.592 51.442 52.037 -0.005 0.000 0.682 121 A CB 1.381 20.412 19.000 0.051 0.000 1.278 121 A HN 0.483 nan 8.150 nan 0.000 0.410 122 R N -0.547 119.929 120.500 -0.039 0.000 2.221 122 R HA 0.257 4.596 4.340 -0.001 0.000 0.195 122 R C -0.841 175.234 176.300 -0.375 0.000 0.956 122 R CA 0.657 56.624 56.100 -0.221 0.000 1.064 122 R CB 0.176 30.299 30.300 -0.294 0.000 1.049 122 R HN 0.685 nan 8.270 nan 0.000 0.534 123 Y N -0.075 120.174 120.300 -0.085 0.000 2.409 123 Y HA 0.500 5.050 4.550 -0.001 0.000 0.339 123 Y C -0.449 175.555 175.900 0.174 0.000 1.033 123 Y CA -0.974 57.124 58.100 -0.004 0.000 1.094 123 Y CB 2.245 40.665 38.460 -0.066 0.000 1.210 123 Y HN -0.326 nan 8.280 nan 0.000 0.456 124 V N 3.343 123.474 119.914 0.361 0.000 2.709 124 V HA 0.610 4.729 4.120 -0.001 0.000 0.308 124 V C -0.793 175.475 176.094 0.290 0.000 1.062 124 V CA -1.147 61.353 62.300 0.334 0.000 0.901 124 V CB 2.116 34.029 31.823 0.150 0.000 1.003 124 V HN 0.754 nan 8.190 nan 0.000 0.425 125 R N 3.432 124.054 120.500 0.204 0.000 2.538 125 R HA 0.706 5.045 4.340 -0.001 0.000 0.292 125 R C -2.117 174.249 176.300 0.109 0.000 1.008 125 R CA -0.709 55.366 56.100 -0.041 0.000 0.896 125 R CB 1.785 31.669 30.300 -0.694 0.000 1.187 125 R HN 0.602 nan 8.270 nan 0.000 0.440 126 L N 5.440 126.756 121.223 0.155 0.000 2.305 126 L HA 0.481 4.820 4.340 -0.001 0.000 0.284 126 L C -1.496 175.499 176.870 0.207 0.000 1.013 126 L CA -0.481 54.493 54.840 0.223 0.000 0.819 126 L CB 1.915 44.141 42.059 0.279 0.000 1.227 126 L HN 0.408 nan 8.230 nan 0.000 0.417 127 V N 5.086 125.120 119.914 0.200 0.000 2.384 127 V HA 0.698 4.817 4.120 -0.001 0.000 0.287 127 V C 0.390 176.602 176.094 0.196 0.000 1.020 127 V CA -0.554 61.851 62.300 0.175 0.000 0.850 127 V CB 1.284 33.191 31.823 0.140 0.000 0.987 127 V HN 0.934 nan 8.190 nan 0.000 0.436 128 A N 5.625 128.581 122.820 0.227 0.000 2.316 128 A HA 0.522 4.841 4.320 -0.001 0.000 0.311 128 A C 0.978 178.637 177.584 0.124 0.000 1.339 128 A CA -0.351 51.815 52.037 0.214 0.000 0.960 128 A CB -0.081 19.089 19.000 0.283 0.000 1.152 128 A HN 0.687 nan 8.150 nan 0.000 0.547 129 I N 1.663 122.284 120.570 0.086 0.000 2.286 129 I HA -0.030 4.139 4.170 -0.001 0.000 0.245 129 I C 1.448 177.577 176.117 0.020 0.000 1.104 129 I CA 1.934 63.253 61.300 0.032 0.000 1.397 129 I CB -1.268 36.741 38.000 0.015 0.000 1.072 129 I HN 0.702 nan 8.210 nan 0.000 0.417 130 T N -1.975 112.609 114.554 0.051 0.000 2.883 130 T HA 0.391 4.740 4.350 -0.001 0.000 0.301 130 T C -0.470 174.281 174.700 0.085 0.000 1.158 130 T CA -0.821 61.305 62.100 0.043 0.000 1.007 130 T CB 3.038 71.927 68.868 0.035 0.000 1.186 130 T HN 0.064 nan 8.240 nan 0.000 0.499 131 E N 0.417 120.656 120.200 0.066 0.000 2.313 131 E HA 0.479 4.828 4.350 -0.001 0.000 0.272 131 E C 1.374 178.037 176.600 0.105 0.000 1.038 131 E CA -0.221 56.238 56.400 0.097 0.000 0.863 131 E CB 1.624 31.353 29.700 0.048 0.000 1.060 131 E HN 0.847 nan 8.360 nan 0.000 0.402 132 A N 4.271 127.192 122.820 0.169 0.000 2.032 132 A HA -0.222 4.097 4.320 -0.001 0.000 0.221 132 A C 1.192 178.838 177.584 0.104 0.000 1.165 132 A CA 1.972 54.108 52.037 0.165 0.000 0.645 132 A CB -0.323 18.838 19.000 0.269 0.000 0.807 132 A HN 0.694 nan 8.150 nan 0.000 0.453 133 N N -2.003 116.744 118.700 0.077 0.000 2.282 133 N HA 0.389 5.128 4.740 -0.001 0.000 0.240 133 N C 0.722 176.232 175.510 -0.000 0.000 1.182 133 N CA 0.651 53.719 53.050 0.031 0.000 0.874 133 N CB 0.879 39.371 38.487 0.009 0.000 1.126 133 N HN 0.497 nan 8.380 nan 0.000 0.516 134 G N 0.390 109.188 108.800 -0.003 0.000 2.155 134 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.257 134 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.257 134 G C 0.059 174.899 174.900 -0.099 0.000 0.983 134 G CA 0.128 45.206 45.100 -0.037 0.000 0.676 134 G HN 0.382 nan 8.290 nan 0.000 0.528 135 Q N -0.350 119.372 119.800 -0.129 0.000 2.396 135 Q HA 0.355 4.694 4.340 -0.001 0.000 0.221 135 Q C -1.475 174.261 176.000 -0.441 0.000 1.025 135 Q CA -1.375 54.237 55.803 -0.318 0.000 0.946 135 Q CB 0.896 29.489 28.738 -0.241 0.000 1.224 135 Q HN 0.136 nan 8.270 nan 0.000 0.539 136 P HA -0.084 nan 4.420 nan 0.000 0.225 136 P C -0.617 176.447 177.300 -0.393 0.000 1.156 136 P CA 0.851 63.552 63.100 -0.666 0.000 0.787 136 P CB 0.287 31.497 31.700 -0.816 0.000 0.802 137 W N -0.441 120.888 121.300 0.048 0.000 2.213 137 W HA 0.465 5.124 4.660 -0.001 0.000 0.356 137 W C -0.102 176.293 176.519 -0.207 0.000 1.273 137 W CA -0.004 57.270 57.345 -0.119 0.000 1.391 137 W CB -0.309 29.017 29.460 -0.224 0.000 1.187 137 W HN -0.333 nan 8.180 nan 0.000 0.649 138 T N 1.403 115.797 114.554 -0.267 0.000 2.921 138 T HA 0.381 4.731 4.350 -0.001 0.000 0.297 138 T C -0.628 173.624 174.700 -0.746 0.000 1.013 138 T CA -0.579 61.316 62.100 -0.341 0.000 0.990 138 T CB 1.591 70.342 68.868 -0.194 0.000 1.023 138 T HN 0.378 nan 8.240 nan 0.000 0.447 139 S N 2.688 118.114 115.700 -0.458 0.000 2.541 139 S HA 0.867 5.336 4.470 -0.001 0.000 0.280 139 S C -1.098 173.482 174.600 -0.034 0.000 1.112 139 S CA -0.864 57.118 58.200 -0.364 0.000 0.925 139 S CB 1.214 64.204 63.200 -0.349 0.000 1.067 139 S HN 0.636 nan 8.310 nan 0.000 0.479 140 I N 1.896 122.581 120.570 0.191 0.000 2.548 140 I HA 0.474 4.643 4.170 -0.001 0.000 0.287 140 I C 0.829 177.117 176.117 0.285 0.000 1.103 140 I CA -1.043 60.397 61.300 0.233 0.000 1.049 140 I CB 2.076 40.250 38.000 0.289 0.000 1.232 140 I HN 0.875 nan 8.210 nan 0.000 0.429 141 A N 4.734 127.663 122.820 0.181 0.000 1.874 141 A HA 0.177 4.497 4.320 -0.001 0.000 0.214 141 A C 0.644 178.311 177.584 0.139 0.000 1.189 141 A CA 1.275 53.442 52.037 0.218 0.000 0.615 141 A CB 0.178 19.268 19.000 0.149 0.000 0.830 141 A HN 0.656 nan 8.150 nan 0.000 0.443 142 E N -1.190 119.042 120.200 0.053 0.000 2.304 142 E HA 0.499 4.848 4.350 -0.001 0.000 0.277 142 E C -1.778 174.801 176.600 -0.035 0.000 0.898 142 E CA -0.227 56.180 56.400 0.012 0.000 0.764 142 E CB 1.836 31.535 29.700 -0.001 0.000 1.216 142 E HN 0.364 nan 8.360 nan 0.000 0.419 143 I N 2.672 123.218 120.570 -0.040 0.000 2.465 143 I HA 0.402 4.571 4.170 -0.001 0.000 0.291 143 I C -1.081 175.075 176.117 0.065 0.000 1.014 143 I CA -0.484 60.796 61.300 -0.034 0.000 1.093 143 I CB 0.881 38.767 38.000 -0.190 0.000 1.267 143 I HN 0.269 nan 8.210 nan 0.000 0.431 144 N N 5.736 124.490 118.700 0.089 0.000 2.262 144 N HA 0.544 5.284 4.740 -0.001 0.000 0.295 144 N C -1.496 174.066 175.510 0.087 0.000 1.161 144 N CA -0.430 52.634 53.050 0.023 0.000 0.767 144 N CB 2.870 41.236 38.487 -0.203 0.000 1.499 144 N HN 0.221 nan 8.380 nan 0.000 0.476 145 V N 1.954 121.909 119.914 0.068 0.000 2.555 145 V HA 0.572 4.691 4.120 -0.001 0.000 0.302 145 V C -0.853 175.118 176.094 -0.206 0.000 1.038 145 V CA -0.613 61.767 62.300 0.132 0.000 0.887 145 V CB 1.141 33.115 31.823 0.253 0.000 0.991 145 V HN 0.457 nan 8.190 nan 0.000 0.434 146 F N 2.358 122.385 119.950 0.128 0.000 2.507 146 F HA 0.728 5.254 4.527 -0.001 0.000 0.327 146 F C 0.274 176.100 175.800 0.043 0.000 1.068 146 F CA -0.646 57.396 58.000 0.069 0.000 0.965 146 F CB 1.853 40.866 39.000 0.021 0.000 1.192 146 F HN 0.567 nan 8.300 nan 0.000 0.476 147 Q N 1.395 121.315 119.800 0.201 0.000 2.413 147 Q HA 0.902 5.241 4.340 -0.001 0.000 0.276 147 Q C -1.507 174.553 176.000 0.100 0.000 1.099 147 Q CA -1.366 54.513 55.803 0.127 0.000 0.814 147 Q CB 2.350 31.147 28.738 0.098 0.000 1.379 147 Q HN 0.750 nan 8.270 nan 0.000 0.436 148 A N 0.994 123.858 122.820 0.073 0.000 2.252 148 A HA 0.447 4.767 4.320 -0.001 0.000 0.305 148 A C 0.825 178.438 177.584 0.048 0.000 1.097 148 A CA -0.126 51.938 52.037 0.044 0.000 0.849 148 A CB 0.772 19.794 19.000 0.036 0.000 1.142 148 A HN 1.004 nan 8.150 nan 0.000 0.499 149 S N -0.584 115.132 115.700 0.028 0.000 2.481 149 S HA 0.183 4.653 4.470 -0.001 0.000 0.231 149 S C 0.671 175.293 174.600 0.037 0.000 0.996 149 S CA 0.836 59.053 58.200 0.027 0.000 0.942 149 S CB -0.756 62.451 63.200 0.011 0.000 0.768 149 S HN 1.951 nan 8.310 nan 0.000 0.520 150 S N -0.973 114.757 115.700 0.050 0.000 2.655 150 S HA 0.593 5.062 4.470 -0.001 0.000 0.266 150 S C -1.756 172.927 174.600 0.139 0.000 1.149 150 S CA -1.011 57.234 58.200 0.076 0.000 0.818 150 S CB 0.824 64.044 63.200 0.034 0.000 1.130 150 S HN 0.433 nan 8.310 nan 0.000 0.476 151 Y N 0.495 120.797 120.300 0.004 0.000 2.421 151 Y HA 0.674 5.224 4.550 -0.001 0.000 0.339 151 Y C -1.310 174.594 175.900 0.005 0.000 0.996 151 Y CA -0.202 57.903 58.100 0.009 0.000 1.046 151 Y CB 2.275 40.748 38.460 0.023 0.000 1.226 151 Y HN 0.904 nan 8.280 nan 0.000 0.445 152 T N 5.777 119.884 114.554 -0.746 0.000 2.840 152 T HA 0.700 5.049 4.350 -0.001 0.000 0.287 152 T C -0.452 173.728 174.700 -0.866 0.000 0.991 152 T CA -0.454 61.272 62.100 -0.623 0.000 0.964 152 T CB 1.018 69.717 68.868 -0.281 0.000 0.954 152 T HN 0.885 nan 8.240 nan 0.000 0.438 153 A N 5.464 127.840 122.820 -0.740 0.000 2.498 153 A HA 0.503 4.822 4.320 -0.001 0.000 0.239 153 A C -1.646 175.825 177.584 -0.188 0.000 1.068 153 A CA -0.949 50.856 52.037 -0.386 0.000 0.766 153 A CB -0.433 18.497 19.000 -0.117 0.000 1.003 153 A HN 0.599 nan 8.150 nan 0.000 0.497 154 P HA 0.058 nan 4.420 nan 0.000 0.268 154 P C -0.691 176.578 177.300 -0.052 0.000 1.205 154 P CA 0.040 63.118 63.100 -0.037 0.000 0.771 154 P CB 0.448 32.150 31.700 0.005 0.000 0.858 155 Q N 3.049 122.828 119.800 -0.036 0.000 2.313 155 Q HA 0.174 4.513 4.340 -0.001 0.000 0.266 155 Q C -1.985 173.978 176.000 -0.063 0.000 0.989 155 Q CA -1.420 54.359 55.803 -0.040 0.000 0.890 155 Q CB -0.225 28.503 28.738 -0.016 0.000 1.200 155 Q HN 0.352 nan 8.270 nan 0.000 0.396 156 P HA -0.021 nan 4.420 nan 0.000 0.268 156 P C 0.430 177.677 177.300 -0.090 0.000 1.204 156 P CA 0.753 63.792 63.100 -0.101 0.000 0.768 156 P CB 0.597 32.252 31.700 -0.075 0.000 0.842 157 G N 2.401 111.126 108.800 -0.126 0.000 2.176 157 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.253 157 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.253 157 G C 0.359 175.214 174.900 -0.074 0.000 0.979 157 G CA -0.125 44.919 45.100 -0.094 0.000 0.641 157 G HN 0.508 nan 8.290 nan 0.000 0.530 158 L N 0.832 122.018 121.223 -0.062 0.000 3.017 158 L HA 0.508 4.847 4.340 -0.001 0.000 0.255 158 L C 1.504 178.408 176.870 0.057 0.000 1.247 158 L CA 0.075 54.927 54.840 0.020 0.000 1.038 158 L CB -0.272 41.823 42.059 0.059 0.000 1.380 158 L HN 0.976 nan 8.230 nan 0.000 0.548 159 G N 1.274 110.011 108.800 -0.105 0.000 2.796 159 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.226 159 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.226 159 G C -0.592 174.103 174.900 -0.343 0.000 1.381 159 G CA -0.542 44.362 45.100 -0.327 0.000 0.867 159 G HN 0.367 nan 8.290 nan 0.000 0.552 160 R N -1.290 118.856 120.500 -0.590 0.000 2.626 160 R HA 0.466 4.806 4.340 -0.001 0.000 0.274 160 R C -1.526 174.593 176.300 -0.301 0.000 1.031 160 R CA -0.886 55.058 56.100 -0.260 0.000 0.898 160 R CB 1.205 31.431 30.300 -0.125 0.000 1.222 160 R HN 0.576 nan 8.270 nan 0.000 0.455 161 W N 2.103 123.443 121.300 0.066 0.000 2.469 161 W HA 0.641 5.301 4.660 -0.001 0.000 0.320 161 W C 0.393 176.958 176.519 0.076 0.000 1.086 161 W CA 0.371 57.798 57.345 0.137 0.000 1.211 161 W CB 2.248 31.828 29.460 0.201 0.000 1.298 161 W HN 0.861 nan 8.180 nan 0.000 0.525 162 G N 3.771 112.768 108.800 0.328 0.000 2.379 162 G HA2 0.062 4.021 3.960 -0.001 0.000 0.609 162 G HA3 0.062 4.021 3.960 -0.001 0.000 0.609 162 G C -3.033 171.928 174.900 0.101 0.000 1.484 162 G CA -1.407 43.808 45.100 0.193 0.000 0.921 162 G HN 0.239 nan 8.290 nan 0.000 0.658 163 P HA 0.571 nan 4.420 nan 0.000 0.297 163 P C -0.140 177.181 177.300 0.035 0.000 1.307 163 P CA -0.121 63.004 63.100 0.042 0.000 0.773 163 P CB 1.024 32.717 31.700 -0.012 0.000 1.265 164 T N 0.832 115.408 114.554 0.037 0.000 2.875 164 T HA 0.399 4.749 4.350 -0.001 0.000 0.284 164 T C 0.089 174.750 174.700 -0.066 0.000 0.995 164 T CA -0.195 61.919 62.100 0.024 0.000 1.060 164 T CB 0.078 69.039 68.868 0.156 0.000 0.967 164 T HN 0.145 nan 8.240 nan 0.000 0.476 165 I N 3.706 124.175 120.570 -0.169 0.000 2.330 165 I HA 0.273 4.443 4.170 -0.001 0.000 0.286 165 I C -0.012 176.051 176.117 -0.089 0.000 1.025 165 I CA -0.997 60.158 61.300 -0.242 0.000 1.197 165 I CB 0.971 38.622 38.000 -0.582 0.000 1.358 165 I HN 0.515 nan 8.210 nan 0.000 0.467 166 D N 7.201 127.590 120.400 -0.018 0.000 2.350 166 D HA 0.488 5.127 4.640 -0.001 0.000 0.249 166 D C 0.055 176.442 176.300 0.144 0.000 1.119 166 D CA 0.127 54.207 54.000 0.134 0.000 0.886 166 D CB 1.779 42.693 40.800 0.189 0.000 1.195 166 D HN 0.306 nan 8.370 nan 0.000 0.437 167 L N 3.204 124.592 121.223 0.274 0.000 2.323 167 L HA 0.369 4.709 4.340 -0.001 0.000 0.265 167 L C -1.617 175.489 176.870 0.394 0.000 1.012 167 L CA -1.762 53.255 54.840 0.296 0.000 0.820 167 L CB 2.820 45.040 42.059 0.269 0.000 1.334 167 L HN 0.170 nan 8.230 nan 0.000 0.427 168 P HA 0.070 nan 4.420 nan 0.000 0.240 168 P C -0.173 177.370 177.300 0.404 0.000 1.190 168 P CA 0.732 64.080 63.100 0.414 0.000 0.781 168 P CB 0.523 32.481 31.700 0.432 0.000 0.931 169 I N -4.811 116.008 120.570 0.415 0.000 3.145 169 I HA 0.531 4.701 4.170 -0.001 0.000 0.313 169 I C -0.901 175.378 176.117 0.271 0.000 1.122 169 I CA -1.714 59.793 61.300 0.345 0.000 0.987 169 I CB 2.401 40.522 38.000 0.201 0.000 1.236 169 I HN -0.487 nan 8.210 nan 0.000 0.453 170 V N 3.550 123.466 119.914 0.003 0.000 2.385 170 V HA 0.322 4.441 4.120 -0.001 0.000 0.269 170 V C -2.027 174.033 176.094 -0.057 0.000 1.043 170 V CA -1.308 60.892 62.300 -0.167 0.000 0.906 170 V CB 0.922 32.541 31.823 -0.341 0.000 0.995 170 V HN 0.609 nan 8.190 nan 0.000 0.467 171 P HA 0.181 nan 4.420 nan 0.000 0.244 171 P C 0.494 177.708 177.300 -0.143 0.000 1.769 171 P CA -0.065 63.014 63.100 -0.035 0.000 1.102 171 P CB 0.910 32.650 31.700 0.067 0.000 1.937 172 A N 2.564 125.258 122.820 -0.210 0.000 2.119 172 A HA 0.352 4.671 4.320 -0.001 0.000 0.217 172 A C 1.116 178.444 177.584 -0.427 0.000 1.153 172 A CA 0.817 52.661 52.037 -0.321 0.000 0.692 172 A CB -0.055 18.727 19.000 -0.363 0.000 0.799 172 A HN 0.518 nan 8.150 nan 0.000 0.458 173 A N -1.470 121.010 122.820 -0.567 0.000 2.486 173 A HA 0.797 5.117 4.320 -0.001 0.000 0.300 173 A C -0.454 176.584 177.584 -0.911 0.000 1.048 173 A CA 0.110 51.613 52.037 -0.890 0.000 0.696 173 A CB 1.134 19.236 19.000 -1.496 0.000 1.278 173 A HN 1.595 nan 8.150 nan 0.000 0.405 174 A N 0.109 122.522 122.820 -0.679 0.000 2.610 174 A HA 1.063 5.382 4.320 -0.001 0.000 0.291 174 A C -0.595 176.882 177.584 -0.177 0.000 1.086 174 A CA -0.026 51.793 52.037 -0.364 0.000 0.677 174 A CB 1.096 20.015 19.000 -0.134 0.000 1.278 174 A HN 2.732 nan 8.150 nan 0.000 0.414 175 A N 0.250 123.051 122.820 -0.031 0.000 2.608 175 A HA 0.663 4.982 4.320 -0.001 0.000 0.292 175 A C -1.552 176.050 177.584 0.030 0.000 1.066 175 A CA -0.457 51.608 52.037 0.047 0.000 0.676 175 A CB 0.782 19.867 19.000 0.141 0.000 1.277 175 A HN 0.871 nan 8.150 nan 0.000 0.413 176 I N 1.456 122.066 120.570 0.068 0.000 2.331 176 I HA 0.244 4.413 4.170 -0.001 0.000 0.292 176 I C 0.187 176.285 176.117 -0.032 0.000 0.998 176 I CA -0.070 61.266 61.300 0.061 0.000 1.267 176 I CB 1.006 39.153 38.000 0.244 0.000 1.386 176 I HN 0.730 nan 8.210 nan 0.000 0.476 177 E N 8.171 128.328 120.200 -0.071 0.000 2.104 177 E HA 0.119 4.469 4.350 -0.001 0.000 0.278 177 E C -1.616 174.797 176.600 -0.312 0.000 1.127 177 E CA -1.435 54.909 56.400 -0.093 0.000 0.897 177 E CB 0.663 30.365 29.700 0.003 0.000 1.043 177 E HN 0.368 nan 8.360 nan 0.000 0.410 178 P HA -0.283 nan 4.420 nan 0.000 0.214 178 P C 1.572 178.426 177.300 -0.743 0.000 1.169 178 P CA 1.793 64.238 63.100 -1.092 0.000 0.908 178 P CB 0.026 30.956 31.700 -1.283 0.000 0.791 179 T N -4.084 110.111 114.554 -0.598 0.000 3.035 179 T HA -0.035 4.314 4.350 -0.001 0.000 0.268 179 T C 1.752 176.324 174.700 -0.212 0.000 1.109 179 T CA 1.352 63.228 62.100 -0.374 0.000 1.119 179 T CB -0.882 67.802 68.868 -0.307 0.000 0.900 179 T HN 0.219 nan 8.240 nan 0.000 0.503 180 S N -0.088 115.500 115.700 -0.187 0.000 2.514 180 S HA 0.482 4.951 4.470 -0.001 0.000 0.223 180 S C 1.989 176.525 174.600 -0.106 0.000 1.046 180 S CA 0.529 58.659 58.200 -0.117 0.000 0.914 180 S CB -0.331 62.822 63.200 -0.079 0.000 0.807 180 S HN 1.202 nan 8.310 nan 0.000 0.497 181 G N 1.792 110.524 108.800 -0.113 0.000 2.148 181 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.254 181 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.254 181 G C 0.086 174.942 174.900 -0.074 0.000 0.981 181 G CA 0.134 45.202 45.100 -0.053 0.000 0.670 181 G HN 0.613 nan 8.290 nan 0.000 0.528 182 R N -0.659 119.785 120.500 -0.092 0.000 2.528 182 R HA 0.549 4.889 4.340 -0.001 0.000 0.271 182 R C 0.017 176.274 176.300 -0.072 0.000 1.056 182 R CA -0.635 55.401 56.100 -0.106 0.000 1.117 182 R CB 1.504 31.753 30.300 -0.084 0.000 1.085 182 R HN 0.065 nan 8.270 nan 0.000 0.530 183 V N 3.764 123.635 119.914 -0.072 0.000 2.348 183 V HA 0.131 4.250 4.120 -0.001 0.000 0.270 183 V C -0.270 175.794 176.094 -0.050 0.000 1.037 183 V CA -0.589 61.638 62.300 -0.122 0.000 0.872 183 V CB 0.963 32.548 31.823 -0.397 0.000 1.002 183 V HN 0.420 nan 8.190 nan 0.000 0.464 184 L N 7.334 128.537 121.223 -0.034 0.000 2.292 184 L HA 0.701 5.040 4.340 -0.001 0.000 0.284 184 L C -0.286 176.649 176.870 0.108 0.000 1.065 184 L CA 0.406 55.266 54.840 0.033 0.000 0.806 184 L CB 1.050 43.069 42.059 -0.067 0.000 1.175 184 L HN 0.651 nan 8.230 nan 0.000 0.431 185 M N 4.878 124.594 119.600 0.194 0.000 2.550 185 M HA 0.567 5.046 4.480 -0.001 0.000 0.292 185 M C -1.712 174.790 176.300 0.336 0.000 1.221 185 M CA -0.335 55.053 55.300 0.146 0.000 0.873 185 M CB 2.251 34.924 32.600 0.120 0.000 1.727 185 M HN 0.733 nan 8.290 nan 0.000 0.459 186 W N 0.036 121.374 121.300 0.063 0.000 3.213 186 W HA 0.798 5.457 4.660 -0.001 0.000 0.318 186 W C -0.572 175.973 176.519 0.044 0.000 1.248 186 W CA -0.543 56.829 57.345 0.045 0.000 1.187 186 W CB 0.269 29.734 29.460 0.009 0.000 1.403 186 W HN 0.727 nan 8.180 nan 0.000 0.556 187 S N 0.941 116.816 115.700 0.291 0.000 3.026 187 S HA 0.718 5.188 4.470 -0.001 0.000 0.169 187 S C 0.436 175.217 174.600 0.302 0.000 0.680 187 S CA 0.734 59.042 58.200 0.180 0.000 0.826 187 S CB 0.429 63.675 63.200 0.076 0.000 0.779 187 S HN 0.874 nan 8.310 nan 0.000 0.664 188 S N -0.899 114.928 115.700 0.212 0.000 3.497 188 S HA 0.345 4.814 4.470 -0.001 0.000 0.319 188 S C 0.266 175.002 174.600 0.227 0.000 1.195 188 S CA 0.162 58.524 58.200 0.270 0.000 1.118 188 S CB -0.563 62.772 63.200 0.226 0.000 1.495 188 S HN 0.682 nan 8.310 nan 0.000 0.655 189 Y N 1.854 122.204 120.300 0.084 0.000 2.439 189 Y HA 0.495 5.044 4.550 -0.001 0.000 0.292 189 Y C 0.723 176.647 175.900 0.040 0.000 1.130 189 Y CA 0.534 58.670 58.100 0.059 0.000 1.254 189 Y CB -0.101 38.395 38.460 0.062 0.000 1.000 189 Y HN 0.104 nan 8.280 nan 0.000 0.554 190 R N 1.317 121.529 120.500 -0.481 0.000 2.892 190 R HA 0.183 4.522 4.340 -0.001 0.000 0.265 190 R C 0.903 177.046 176.300 -0.261 0.000 1.025 190 R CA -0.086 55.716 56.100 -0.496 0.000 0.982 190 R CB 0.568 30.424 30.300 -0.740 0.000 1.185 190 R HN 0.380 nan 8.270 nan 0.000 0.484 191 N N 0.318 118.828 118.700 -0.316 0.000 2.396 191 N HA -0.144 4.595 4.740 -0.001 0.000 0.180 191 N C 0.242 175.705 175.510 -0.078 0.000 1.028 191 N CA 1.284 54.194 53.050 -0.234 0.000 0.893 191 N CB 0.103 38.208 38.487 -0.636 0.000 0.967 191 N HN 0.602 nan 8.380 nan 0.000 0.440 192 D N -1.370 118.951 120.400 -0.132 0.000 2.520 192 D HA 0.370 5.010 4.640 -0.001 0.000 0.223 192 D C -0.062 176.159 176.300 -0.133 0.000 1.186 192 D CA -0.354 53.600 54.000 -0.076 0.000 0.821 192 D CB 0.279 41.130 40.800 0.086 0.000 1.072 192 D HN 0.318 nan 8.370 nan 0.000 0.518 193 A N -0.279 122.431 122.820 -0.183 0.000 2.594 193 A HA 0.601 4.921 4.320 -0.001 0.000 0.291 193 A C -0.885 176.639 177.584 -0.099 0.000 1.105 193 A CA -0.765 51.157 52.037 -0.191 0.000 0.694 193 A CB 0.628 19.478 19.000 -0.249 0.000 1.291 193 A HN 0.115 nan 8.150 nan 0.000 0.410 194 F N -0.935 118.933 119.950 -0.137 0.000 2.819 194 F HA 0.512 5.038 4.527 -0.001 0.000 0.325 194 F C 0.960 176.876 175.800 0.193 0.000 1.041 194 F CA -0.016 57.946 58.000 -0.064 0.000 1.184 194 F CB -0.285 38.237 39.000 -0.796 0.000 1.019 194 F HN 0.718 nan 8.300 nan 0.000 0.590 195 G N 0.489 108.996 108.800 -0.489 0.000 2.442 195 G HA2 0.376 4.335 3.960 -0.001 0.000 0.249 195 G HA3 0.376 4.335 3.960 -0.001 0.000 0.249 195 G C 0.980 175.865 174.900 -0.026 0.000 1.263 195 G CA 0.078 45.008 45.100 -0.284 0.000 0.846 195 G HN 1.316 nan 8.290 nan 0.000 0.555 196 G N 0.232 108.988 108.800 -0.073 0.000 2.136 196 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.242 196 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.242 196 G C 0.671 175.346 174.900 -0.375 0.000 0.989 196 G CA 0.552 45.588 45.100 -0.106 0.000 0.682 196 G HN 1.398 nan 8.290 nan 0.000 0.522 197 S N 0.940 116.288 115.700 -0.587 0.000 2.533 197 S HA 0.465 4.934 4.470 -0.001 0.000 0.282 197 S C 0.309 174.616 174.600 -0.488 0.000 1.304 197 S CA -0.157 57.434 58.200 -1.015 0.000 1.063 197 S CB 1.021 63.892 63.200 -0.548 0.000 0.881 197 S HN 0.319 nan 8.310 nan 0.000 0.493 198 P HA 0.236 nan 4.420 nan 0.000 0.245 198 P C 0.730 177.971 177.300 -0.098 0.000 1.206 198 P CA 0.479 63.476 63.100 -0.172 0.000 0.781 198 P CB -0.538 31.104 31.700 -0.096 0.000 0.994 199 G N -0.201 108.535 108.800 -0.106 0.000 2.829 199 G HA2 0.122 4.082 3.960 -0.001 0.000 0.628 199 G HA3 0.122 4.082 3.960 -0.001 0.000 0.628 199 G C 0.508 175.426 174.900 0.031 0.000 1.412 199 G CA -0.083 45.014 45.100 -0.004 0.000 0.864 199 G HN 0.656 nan 8.290 nan 0.000 0.544 200 G N -1.517 107.321 108.800 0.064 0.000 2.143 200 G HA2 0.083 4.042 3.960 -0.001 0.000 0.249 200 G HA3 0.083 4.042 3.960 -0.001 0.000 0.249 200 G C 0.370 175.302 174.900 0.053 0.000 0.981 200 G CA 1.006 46.141 45.100 0.058 0.000 0.665 200 G HN 2.237 nan 8.290 nan 0.000 0.528 201 I N 0.372 120.984 120.570 0.069 0.000 2.692 201 I HA 0.641 4.810 4.170 -0.001 0.000 0.293 201 I C -1.233 174.914 176.117 0.049 0.000 1.200 201 I CA -0.175 61.157 61.300 0.053 0.000 1.036 201 I CB 2.179 40.240 38.000 0.102 0.000 1.258 201 I HN -0.010 nan 8.210 nan 0.000 0.421 202 T N 7.662 122.185 114.554 -0.052 0.000 2.928 202 T HA 0.505 4.855 4.350 -0.001 0.000 0.296 202 T C -0.453 174.215 174.700 -0.053 0.000 1.000 202 T CA -0.456 61.597 62.100 -0.078 0.000 0.989 202 T CB 1.726 70.398 68.868 -0.326 0.000 1.005 202 T HN 0.368 nan 8.240 nan 0.000 0.442 203 L N 4.148 125.402 121.223 0.053 0.000 2.265 203 L HA 0.530 4.869 4.340 -0.001 0.000 0.288 203 L C 0.973 177.928 176.870 0.142 0.000 1.058 203 L CA -0.601 54.296 54.840 0.094 0.000 0.809 203 L CB 0.898 43.030 42.059 0.121 0.000 1.179 203 L HN 0.759 nan 8.230 nan 0.000 0.429 204 T N -0.182 114.452 114.554 0.133 0.000 2.932 204 T HA 0.648 4.997 4.350 -0.001 0.000 0.289 204 T C -0.384 174.445 174.700 0.215 0.000 1.039 204 T CA -0.747 61.478 62.100 0.209 0.000 1.024 204 T CB 2.226 71.211 68.868 0.195 0.000 1.090 204 T HN 0.439 nan 8.240 nan 0.000 0.496 205 S N 0.435 116.276 115.700 0.234 0.000 2.536 205 S HA 0.683 5.152 4.470 -0.001 0.000 0.271 205 S C -1.058 173.663 174.600 0.202 0.000 1.134 205 S CA -0.614 57.716 58.200 0.216 0.000 0.897 205 S CB 1.254 64.593 63.200 0.231 0.000 1.094 205 S HN 1.372 nan 8.310 nan 0.000 0.473 206 S N 3.231 119.041 115.700 0.184 0.000 2.542 206 S HA 0.785 5.254 4.470 -0.001 0.000 0.293 206 S C -1.452 173.282 174.600 0.223 0.000 1.089 206 S CA -0.739 57.556 58.200 0.159 0.000 0.961 206 S CB 1.246 64.503 63.200 0.096 0.000 1.062 206 S HN 0.802 nan 8.310 nan 0.000 0.483 207 W N 2.739 124.034 121.300 -0.009 0.000 2.600 207 W HA 0.547 5.207 4.660 -0.001 0.000 0.325 207 W C -1.481 175.021 176.519 -0.029 0.000 1.034 207 W CA -0.557 56.791 57.345 0.005 0.000 1.226 207 W CB 1.529 31.017 29.460 0.047 0.000 1.379 207 W HN 0.747 nan 8.180 nan 0.000 0.466 208 D N 7.402 127.448 120.400 -0.590 0.000 2.359 208 D HA 0.288 4.927 4.640 -0.001 0.000 0.230 208 D C -1.681 173.938 176.300 -1.136 0.000 1.118 208 D CA -2.323 51.293 54.000 -0.639 0.000 0.844 208 D CB 2.409 43.011 40.800 -0.330 0.000 1.059 208 D HN 0.118 nan 8.370 nan 0.000 0.493 209 P HA -0.128 nan 4.420 nan 0.000 0.218 209 P C 1.280 178.299 177.300 -0.469 0.000 1.149 209 P CA 1.053 63.529 63.100 -1.040 0.000 0.817 209 P CB 0.253 31.633 31.700 -0.533 0.000 0.785 210 S N -1.783 113.716 115.700 -0.335 0.000 2.436 210 S HA -0.083 4.386 4.470 -0.001 0.000 0.228 210 S C 1.788 176.296 174.600 -0.154 0.000 1.014 210 S CA 1.677 59.766 58.200 -0.185 0.000 0.950 210 S CB -1.632 61.486 63.200 -0.136 0.000 0.784 210 S HN 0.274 nan 8.310 nan 0.000 0.504 211 T N -3.930 110.506 114.554 -0.198 0.000 2.969 211 T HA 0.527 4.876 4.350 -0.001 0.000 0.250 211 T C 1.652 176.289 174.700 -0.105 0.000 1.021 211 T CA 0.728 62.752 62.100 -0.126 0.000 1.003 211 T CB -0.052 68.753 68.868 -0.106 0.000 1.040 211 T HN 1.177 nan 8.240 nan 0.000 0.492 212 G N 1.793 110.479 108.800 -0.191 0.000 2.162 212 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.260 212 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.260 212 G C 0.046 174.984 174.900 0.063 0.000 0.976 212 G CA 0.163 45.260 45.100 -0.005 0.000 0.655 212 G HN 0.680 nan 8.290 nan 0.000 0.533 213 I N 1.051 121.593 120.570 -0.046 0.000 2.496 213 I HA 0.335 4.505 4.170 -0.001 0.000 0.285 213 I C 0.553 176.729 176.117 0.100 0.000 1.080 213 I CA -0.476 60.837 61.300 0.023 0.000 1.404 213 I CB 1.382 39.375 38.000 -0.013 0.000 1.403 213 I HN -0.117 nan 8.210 nan 0.000 0.539 214 V N 6.154 126.163 119.914 0.159 0.000 2.370 214 V HA 0.368 4.487 4.120 -0.001 0.000 0.283 214 V C 0.113 176.292 176.094 0.142 0.000 1.023 214 V CA -0.317 62.108 62.300 0.209 0.000 0.857 214 V CB 1.431 33.389 31.823 0.226 0.000 0.985 214 V HN 0.891 nan 8.190 nan 0.000 0.443 215 S N 2.818 118.602 115.700 0.140 0.000 2.568 215 S HA 0.891 5.360 4.470 -0.001 0.000 0.293 215 S C -1.265 173.421 174.600 0.144 0.000 1.089 215 S CA -0.917 57.355 58.200 0.120 0.000 0.945 215 S CB 2.448 65.704 63.200 0.093 0.000 1.077 215 S HN 0.763 nan 8.310 nan 0.000 0.485 216 D N -0.212 120.270 120.400 0.138 0.000 2.490 216 D HA 0.662 5.301 4.640 -0.001 0.000 0.232 216 D C -0.657 175.726 176.300 0.138 0.000 1.053 216 D CA -0.753 53.340 54.000 0.155 0.000 0.914 216 D CB 1.181 42.086 40.800 0.175 0.000 1.431 216 D HN 0.711 nan 8.370 nan 0.000 0.483 217 R N -0.098 120.488 120.500 0.143 0.000 2.535 217 R HA 0.442 4.782 4.340 -0.001 0.000 0.274 217 R C -1.509 174.843 176.300 0.086 0.000 1.090 217 R CA -0.505 55.669 56.100 0.123 0.000 0.930 217 R CB 1.743 32.138 30.300 0.159 0.000 1.223 217 R HN 0.527 nan 8.270 nan 0.000 0.441 218 T N 3.731 118.326 114.554 0.067 0.000 2.728 218 T HA 0.247 4.596 4.350 -0.001 0.000 0.296 218 T C -0.307 174.380 174.700 -0.022 0.000 0.940 218 T CA -0.303 61.818 62.100 0.034 0.000 1.013 218 T CB 1.051 69.956 68.868 0.062 0.000 0.912 218 T HN 0.233 nan 8.240 nan 0.000 0.484 219 V N 4.903 124.741 119.914 -0.128 0.000 2.364 219 V HA 0.356 4.475 4.120 -0.001 0.000 0.272 219 V C 1.288 177.291 176.094 -0.151 0.000 1.036 219 V CA -0.399 61.764 62.300 -0.227 0.000 0.880 219 V CB 0.864 32.299 31.823 -0.647 0.000 0.991 219 V HN 1.133 nan 8.190 nan 0.000 0.460 220 T N 0.464 114.980 114.554 -0.064 0.000 2.969 220 T HA 0.012 4.361 4.350 -0.001 0.000 0.258 220 T C 1.496 176.201 174.700 0.008 0.000 0.962 220 T CA 0.705 62.795 62.100 -0.017 0.000 0.903 220 T CB 0.571 69.448 68.868 0.015 0.000 1.177 220 T HN 0.249 nan 8.240 nan 0.000 0.511 221 V N 3.675 123.601 119.914 0.020 0.000 2.469 221 V HA -0.124 3.996 4.120 -0.001 0.000 0.251 221 V C 2.592 178.724 176.094 0.064 0.000 1.064 221 V CA 2.680 65.013 62.300 0.054 0.000 1.066 221 V CB -0.756 31.118 31.823 0.085 0.000 0.667 221 V HN 0.864 nan 8.190 nan 0.000 0.461 222 T N -3.392 111.197 114.554 0.057 0.000 3.107 222 T HA 0.090 4.439 4.350 -0.001 0.000 0.249 222 T C 0.832 175.580 174.700 0.081 0.000 1.096 222 T CA 0.165 62.318 62.100 0.089 0.000 1.012 222 T CB -0.366 68.577 68.868 0.125 0.000 0.977 222 T HN 0.614 nan 8.240 nan 0.000 0.527 223 K N 1.143 121.576 120.400 0.055 0.000 3.278 223 K HA -0.240 4.079 4.320 -0.001 0.000 0.270 223 K C -0.379 176.278 176.600 0.094 0.000 0.955 223 K CA 0.616 56.935 56.287 0.053 0.000 0.723 223 K CB -2.165 30.357 32.500 0.035 0.000 1.382 223 K HN 0.848 nan 8.250 nan 0.000 0.461 224 H N 0.090 119.134 119.070 -0.043 0.000 2.877 224 H HA 0.154 4.709 4.556 -0.001 0.000 0.347 224 H C -1.437 173.857 175.328 -0.057 0.000 1.042 224 H CA -0.994 55.027 56.048 -0.045 0.000 1.276 224 H CB 1.449 31.171 29.762 -0.067 0.000 1.681 224 H HN 0.169 nan 8.280 nan 0.000 0.521 225 D N 5.759 126.306 120.400 0.246 0.000 2.456 225 D HA 0.088 4.727 4.640 -0.001 0.000 0.219 225 D C 0.489 176.853 176.300 0.107 0.000 1.126 225 D CA -0.380 53.710 54.000 0.149 0.000 0.890 225 D CB 0.762 41.694 40.800 0.221 0.000 1.025 225 D HN 0.641 nan 8.370 nan 0.000 0.511 226 M N 3.362 122.831 119.600 -0.218 0.000 2.704 226 M HA 0.066 4.546 4.480 -0.001 0.000 0.215 226 M C 0.369 176.810 176.300 0.235 0.000 1.156 226 M CA -0.163 54.956 55.300 -0.303 0.000 1.002 226 M CB -0.264 31.866 32.600 -0.783 0.000 1.781 226 M HN 0.282 nan 8.290 nan 0.000 0.486 227 F N -0.173 119.882 119.950 0.175 0.000 2.429 227 F HA 0.123 4.649 4.527 -0.001 0.000 0.348 227 F C 0.871 176.701 175.800 0.050 0.000 1.109 227 F CA -0.418 57.666 58.000 0.141 0.000 1.232 227 F CB 0.461 39.544 39.000 0.138 0.000 1.157 227 F HN 0.207 nan 8.300 nan 0.000 0.564 228 C N 5.037 123.643 119.300 -1.157 0.000 4.209 228 C HA -0.124 4.336 4.460 -0.001 0.000 0.305 228 C C -2.280 172.504 174.990 -0.342 0.000 1.339 228 C CA 0.017 58.438 59.018 -0.994 0.000 2.062 228 C CB -2.872 24.085 27.740 -1.306 0.000 1.307 228 C HN 0.739 nan 8.230 nan 0.000 0.706 229 P HA 0.617 nan 4.420 nan 0.000 0.309 229 P C -0.084 177.214 177.300 -0.004 0.000 1.302 229 P CA 0.184 63.286 63.100 0.003 0.000 0.835 229 P CB 1.106 32.891 31.700 0.142 0.000 1.324 230 G N -0.234 108.595 108.800 0.049 0.000 2.367 230 G HA2 0.663 4.622 3.960 -0.001 0.000 0.314 230 G HA3 0.663 4.622 3.960 -0.001 0.000 0.314 230 G C -0.766 174.205 174.900 0.119 0.000 1.130 230 G CA -0.729 44.401 45.100 0.050 0.000 0.864 230 G HN 0.372 nan 8.290 nan 0.000 0.486 231 I N 0.816 121.455 120.570 0.115 0.000 2.569 231 I HA 0.457 4.626 4.170 -0.001 0.000 0.290 231 I C -0.384 175.813 176.117 0.133 0.000 1.088 231 I CA -0.521 60.878 61.300 0.166 0.000 1.047 231 I CB 2.431 40.549 38.000 0.197 0.000 1.237 231 I HN 0.364 nan 8.210 nan 0.000 0.421 232 S N 5.604 121.394 115.700 0.150 0.000 2.556 232 S HA 0.573 5.042 4.470 -0.001 0.000 0.271 232 S C -0.897 173.785 174.600 0.137 0.000 1.135 232 S CA -0.675 57.606 58.200 0.135 0.000 0.858 232 S CB 2.457 65.747 63.200 0.150 0.000 1.114 232 S HN 0.659 nan 8.310 nan 0.000 0.468 233 M N 3.656 123.332 119.600 0.127 0.000 2.047 233 M HA 0.341 4.821 4.480 -0.001 0.000 0.342 233 M C -0.726 175.652 176.300 0.130 0.000 1.058 233 M CA -0.616 54.761 55.300 0.129 0.000 0.991 233 M CB 0.220 32.896 32.600 0.126 0.000 1.474 233 M HN 0.760 nan 8.290 nan 0.000 0.419 234 D N 3.391 123.873 120.400 0.137 0.000 2.372 234 D HA 0.145 4.785 4.640 -0.001 0.000 0.243 234 D C 1.225 177.586 176.300 0.101 0.000 1.297 234 D CA 0.078 54.160 54.000 0.136 0.000 0.958 234 D CB 0.277 41.181 40.800 0.175 0.000 1.114 234 D HN 0.662 nan 8.370 nan 0.000 0.496 235 G N -0.546 108.302 108.800 0.079 0.000 2.462 235 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.220 235 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.220 235 G C 1.132 176.031 174.900 -0.002 0.000 1.121 235 G CA 0.387 45.515 45.100 0.047 0.000 0.758 235 G HN 0.528 nan 8.290 nan 0.000 0.559 236 N N 0.350 119.056 118.700 0.009 0.000 2.422 236 N HA 0.098 4.838 4.740 -0.001 0.000 0.181 236 N C 1.625 177.147 175.510 0.019 0.000 1.080 236 N CA 0.977 54.019 53.050 -0.013 0.000 0.893 236 N CB 0.435 38.926 38.487 0.007 0.000 0.973 236 N HN 0.433 nan 8.380 nan 0.000 0.456 237 G N 0.760 109.611 108.800 0.084 0.000 2.138 237 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.193 237 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.193 237 G C -0.274 174.727 174.900 0.167 0.000 0.998 237 G CA -0.432 44.824 45.100 0.260 0.000 0.668 237 G HN 0.307 nan 8.290 nan 0.000 0.516 238 Q N -0.278 119.576 119.800 0.090 0.000 2.241 238 Q HA 0.599 4.939 4.340 -0.001 0.000 0.254 238 Q C 0.365 176.402 176.000 0.062 0.000 0.917 238 Q CA -0.599 55.218 55.803 0.025 0.000 0.919 238 Q CB 1.688 30.436 28.738 0.016 0.000 1.237 238 Q HN 0.450 nan 8.270 nan 0.000 0.434 239 I N 2.583 123.181 120.570 0.047 0.000 2.379 239 I HA 0.090 4.259 4.170 -0.001 0.000 0.290 239 I C -0.334 175.836 176.117 0.087 0.000 1.063 239 I CA -0.492 60.867 61.300 0.099 0.000 1.351 239 I CB 0.767 38.849 38.000 0.136 0.000 1.410 239 I HN 0.229 nan 8.210 nan 0.000 0.505 240 V N 8.046 128.022 119.914 0.102 0.000 2.334 240 V HA 0.187 4.307 4.120 -0.001 0.000 0.267 240 V C 0.203 176.387 176.094 0.150 0.000 1.040 240 V CA -0.521 61.821 62.300 0.070 0.000 0.866 240 V CB 1.096 32.903 31.823 -0.027 0.000 1.019 240 V HN 0.397 nan 8.190 nan 0.000 0.468 241 V N 4.861 124.885 119.914 0.184 0.000 2.370 241 V HA 0.574 4.693 4.120 -0.001 0.000 0.283 241 V C 0.403 176.649 176.094 0.253 0.000 1.023 241 V CA -0.352 62.074 62.300 0.209 0.000 0.857 241 V CB 1.697 33.586 31.823 0.111 0.000 0.985 241 V HN 0.964 nan 8.190 nan 0.000 0.443 242 T N 1.416 116.104 114.554 0.223 0.000 2.841 242 T HA 0.786 5.135 4.350 -0.001 0.000 0.283 242 T C 0.509 175.303 174.700 0.156 0.000 1.000 242 T CA 0.143 62.346 62.100 0.172 0.000 0.977 242 T CB 1.577 70.458 68.868 0.021 0.000 0.979 242 T HN 1.617 nan 8.240 nan 0.000 0.446 243 G N 2.072 110.934 108.800 0.104 0.000 2.582 243 G HA2 0.229 4.188 3.960 -0.001 0.000 0.288 243 G HA3 0.229 4.188 3.960 -0.001 0.000 0.288 243 G C 0.658 175.731 174.900 0.289 0.000 1.247 243 G CA 0.876 46.035 45.100 0.099 0.000 0.972 243 G HN 2.610 nan 8.290 nan 0.000 0.557 244 G N -1.223 107.704 108.800 0.212 0.000 2.603 244 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.245 244 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.245 244 G C 0.897 176.052 174.900 0.426 0.000 1.195 244 G CA 0.798 46.069 45.100 0.284 0.000 0.953 244 G HN 1.694 nan 8.290 nan 0.000 0.566 245 N N 1.747 120.740 118.700 0.489 0.000 2.205 245 N HA 0.011 4.751 4.740 -0.001 0.000 0.186 245 N C 0.341 176.003 175.510 0.254 0.000 1.015 245 N CA 1.605 54.925 53.050 0.451 0.000 0.862 245 N CB -0.051 38.717 38.487 0.468 0.000 0.986 245 N HN 0.488 nan 8.380 nan 0.000 0.429 246 D N -0.282 120.263 120.400 0.241 0.000 2.460 246 D HA 0.264 4.903 4.640 -0.001 0.000 0.268 246 D C 0.525 176.833 176.300 0.013 0.000 1.153 246 D CA -0.194 53.864 54.000 0.096 0.000 0.929 246 D CB 0.993 41.838 40.800 0.075 0.000 1.015 246 D HN 0.028 nan 8.370 nan 0.000 0.502 247 A N 2.246 125.086 122.820 0.033 0.000 2.042 247 A HA -0.236 4.083 4.320 -0.001 0.000 0.222 247 A C 1.895 179.428 177.584 -0.085 0.000 1.167 247 A CA 1.522 53.558 52.037 -0.001 0.000 0.649 247 A CB -0.003 19.001 19.000 0.007 0.000 0.809 247 A HN 0.288 nan 8.150 nan 0.000 0.457 248 K N -1.074 119.254 120.400 -0.121 0.000 2.358 248 K HA 0.075 4.394 4.320 -0.001 0.000 0.200 248 K C -0.242 176.226 176.600 -0.220 0.000 1.030 248 K CA -0.143 56.049 56.287 -0.158 0.000 1.097 248 K CB 0.251 32.690 32.500 -0.101 0.000 0.862 248 K HN 0.186 nan 8.250 nan 0.000 0.534 249 K N 0.797 120.996 120.400 -0.335 0.000 2.098 249 K HA 0.212 4.532 4.320 -0.001 0.000 0.257 249 K C -0.371 176.008 176.600 -0.369 0.000 0.999 249 K CA -0.107 55.908 56.287 -0.453 0.000 0.924 249 K CB 1.647 33.667 32.500 -0.800 0.000 1.028 249 K HN -0.181 nan 8.250 nan 0.000 0.466 250 T N 0.725 115.219 114.554 -0.101 0.000 2.881 250 T HA 0.311 4.660 4.350 -0.001 0.000 0.291 250 T C -0.676 174.158 174.700 0.223 0.000 0.990 250 T CA -0.604 61.575 62.100 0.131 0.000 0.976 250 T CB 1.182 70.195 68.868 0.242 0.000 0.970 250 T HN 0.331 nan 8.240 nan 0.000 0.438 251 S N 2.924 118.826 115.700 0.336 0.000 2.482 251 S HA 0.673 5.142 4.470 -0.001 0.000 0.303 251 S C -0.632 174.158 174.600 0.316 0.000 1.091 251 S CA -0.798 57.612 58.200 0.349 0.000 1.057 251 S CB 0.754 64.151 63.200 0.329 0.000 1.031 251 S HN 0.491 nan 8.310 nan 0.000 0.485 252 L N 3.383 124.780 121.223 0.290 0.000 2.325 252 L HA 0.475 4.815 4.340 -0.001 0.000 0.281 252 L C -1.142 175.713 176.870 -0.026 0.000 1.004 252 L CA -0.841 54.074 54.840 0.125 0.000 0.823 252 L CB 0.889 42.996 42.059 0.080 0.000 1.236 252 L HN 0.654 nan 8.230 nan 0.000 0.415 253 Y N 2.452 122.484 120.300 -0.447 0.000 2.341 253 Y HA 0.322 4.871 4.550 -0.001 0.000 0.340 253 Y C -0.465 175.166 175.900 -0.448 0.000 0.997 253 Y CA -0.745 56.815 58.100 -0.901 0.000 1.149 253 Y CB 1.402 38.953 38.460 -1.515 0.000 1.171 253 Y HN 0.564 nan 8.280 nan 0.000 0.494 254 D N 3.557 123.292 120.400 -1.109 0.000 2.373 254 D HA 0.174 4.813 4.640 -0.001 0.000 0.227 254 D C 0.722 176.384 176.300 -1.064 0.000 1.091 254 D CA 0.004 53.541 54.000 -0.771 0.000 0.840 254 D CB 1.561 42.115 40.800 -0.410 0.000 1.060 254 D HN 0.592 nan 8.370 nan 0.000 0.502 255 S N 2.116 117.371 115.700 -0.742 0.000 2.368 255 S HA -0.158 4.311 4.470 -0.001 0.000 0.225 255 S C 1.831 176.248 174.600 -0.305 0.000 1.030 255 S CA 1.535 59.458 58.200 -0.461 0.000 0.999 255 S CB -0.041 62.992 63.200 -0.279 0.000 0.844 255 S HN 0.520 nan 8.310 nan 0.000 0.459 256 S N 1.064 116.616 115.700 -0.247 0.000 2.383 256 S HA -0.084 4.385 4.470 -0.001 0.000 0.229 256 S C 1.983 176.501 174.600 -0.138 0.000 1.030 256 S CA 1.519 59.625 58.200 -0.156 0.000 1.002 256 S CB -0.316 62.827 63.200 -0.095 0.000 0.829 256 S HN 0.820 nan 8.310 nan 0.000 0.467 257 S N 0.166 115.760 115.700 -0.177 0.000 2.540 257 S HA 0.178 4.647 4.470 -0.001 0.000 0.218 257 S C 0.232 174.753 174.600 -0.132 0.000 0.977 257 S CA 0.443 58.565 58.200 -0.130 0.000 0.918 257 S CB -0.161 62.971 63.200 -0.112 0.000 0.806 257 S HN 0.317 nan 8.310 nan 0.000 0.496 258 D N 1.777 122.052 120.400 -0.209 0.000 2.697 258 D HA -0.164 4.475 4.640 -0.001 0.000 0.235 258 D C -0.194 176.081 176.300 -0.040 0.000 1.167 258 D CA 1.039 54.976 54.000 -0.105 0.000 0.656 258 D CB -1.416 39.408 40.800 0.040 0.000 1.025 258 D HN 0.717 nan 8.370 nan 0.000 0.419 259 S N -1.140 114.417 115.700 -0.239 0.000 2.588 259 S HA 0.753 5.222 4.470 -0.001 0.000 0.275 259 S C -0.761 173.750 174.600 -0.148 0.000 1.130 259 S CA -1.158 57.013 58.200 -0.049 0.000 0.855 259 S CB 0.985 64.180 63.200 -0.008 0.000 1.116 259 S HN 0.219 nan 8.310 nan 0.000 0.472 260 W N 1.094 122.433 121.300 0.064 0.000 2.433 260 W HA 0.691 5.351 4.660 -0.001 0.000 0.315 260 W C -0.476 176.063 176.519 0.032 0.000 1.087 260 W CA -0.632 56.756 57.345 0.071 0.000 1.205 260 W CB 1.051 30.560 29.460 0.082 0.000 1.288 260 W HN 0.523 nan 8.180 nan 0.000 0.504 261 I N 5.189 125.899 120.570 0.233 0.000 2.433 261 I HA 0.318 4.488 4.170 -0.001 0.000 0.292 261 I C -2.169 174.055 176.117 0.178 0.000 1.001 261 I CA -2.568 58.825 61.300 0.154 0.000 1.119 261 I CB 1.847 39.891 38.000 0.073 0.000 1.289 261 I HN 0.014 nan 8.210 nan 0.000 0.438 262 P HA 0.105 nan 4.420 nan 0.000 0.267 262 P C -0.084 177.300 177.300 0.140 0.000 1.205 262 P CA 0.029 63.213 63.100 0.140 0.000 0.765 262 P CB 0.670 32.434 31.700 0.107 0.000 0.828 263 G N 4.020 112.912 108.800 0.154 0.000 2.552 263 G HA2 0.601 4.561 3.960 -0.001 0.000 0.324 263 G HA3 0.601 4.561 3.960 -0.001 0.000 0.324 263 G C -2.662 172.354 174.900 0.193 0.000 1.217 263 G CA -1.641 43.563 45.100 0.173 0.000 0.989 263 G HN 0.294 nan 8.290 nan 0.000 0.490 264 P HA 0.214 nan 4.420 nan 0.000 0.275 264 P C -0.903 176.591 177.300 0.324 0.000 1.228 264 P CA -0.393 62.886 63.100 0.299 0.000 0.786 264 P CB 1.254 33.178 31.700 0.373 0.000 0.927 265 D N 1.756 122.262 120.400 0.176 0.000 2.443 265 D HA 0.125 4.764 4.640 -0.001 0.000 0.239 265 D C 0.847 177.132 176.300 -0.025 0.000 1.136 265 D CA 0.426 54.450 54.000 0.041 0.000 0.879 265 D CB 0.216 41.021 40.800 0.008 0.000 1.195 265 D HN 0.267 nan 8.370 nan 0.000 0.443 266 M N 1.737 121.133 119.600 -0.340 0.000 2.198 266 M HA -0.010 4.470 4.480 -0.001 0.000 0.315 266 M C 1.446 177.597 176.300 -0.248 0.000 1.134 266 M CA -0.266 54.630 55.300 -0.673 0.000 1.171 266 M CB 0.637 32.723 32.600 -0.857 0.000 1.413 266 M HN 0.258 nan 8.290 nan 0.000 0.467 267 Q N 0.498 120.202 119.800 -0.161 0.000 2.230 267 Q HA 0.080 4.419 4.340 -0.001 0.000 0.202 267 Q C -0.145 175.831 176.000 -0.040 0.000 0.963 267 Q CA 0.853 56.640 55.803 -0.027 0.000 0.866 267 Q CB 0.010 28.778 28.738 0.050 0.000 0.931 267 Q HN 0.507 nan 8.270 nan 0.000 0.452 268 V N 0.437 120.291 119.914 -0.099 0.000 2.656 268 V HA 0.563 4.683 4.120 -0.001 0.000 0.307 268 V C -0.542 175.495 176.094 -0.096 0.000 1.051 268 V CA -1.240 61.041 62.300 -0.031 0.000 0.893 268 V CB 1.719 33.541 31.823 -0.002 0.000 0.999 268 V HN 0.088 nan 8.190 nan 0.000 0.426 269 A N 5.453 128.269 122.820 -0.007 0.000 2.404 269 A HA 0.730 5.049 4.320 -0.001 0.000 0.273 269 A C 0.204 177.735 177.584 -0.090 0.000 1.144 269 A CA -0.076 51.936 52.037 -0.041 0.000 0.806 269 A CB 0.053 19.069 19.000 0.027 0.000 1.080 269 A HN 0.888 nan 8.150 nan 0.000 0.509 270 R N 1.107 121.537 120.500 -0.115 0.000 2.836 270 R HA 0.766 5.105 4.340 -0.001 0.000 0.269 270 R C -0.230 176.055 176.300 -0.025 0.000 1.010 270 R CA -0.518 55.509 56.100 -0.121 0.000 0.930 270 R CB 2.544 32.739 30.300 -0.175 0.000 1.218 270 R HN 0.880 nan 8.270 nan 0.000 0.473 271 G N 0.231 109.037 108.800 0.010 0.000 2.753 271 G HA2 0.443 4.402 3.960 -0.001 0.000 0.297 271 G HA3 0.443 4.402 3.960 -0.001 0.000 0.297 271 G C -1.123 173.837 174.900 0.100 0.000 1.430 271 G CA -0.356 44.831 45.100 0.145 0.000 1.040 271 G HN 0.562 nan 8.290 nan 0.000 0.530 272 Y N -0.606 119.563 120.300 -0.218 0.000 4.798 272 Y HA -0.220 4.329 4.550 -0.001 0.000 0.237 272 Y C 1.516 177.238 175.900 -0.295 0.000 1.017 272 Y CA 0.487 58.372 58.100 -0.359 0.000 2.010 272 Y CB -2.028 36.132 38.460 -0.499 0.000 1.582 272 Y HN 0.855 nan 8.280 nan 0.000 0.621 273 Q N 0.391 120.160 119.800 -0.052 0.000 2.382 273 Q HA 0.571 4.911 4.340 -0.001 0.000 0.229 273 Q C -0.027 175.947 176.000 -0.042 0.000 1.006 273 Q CA -0.090 55.660 55.803 -0.088 0.000 0.916 273 Q CB 1.758 30.421 28.738 -0.126 0.000 1.235 273 Q HN 0.268 nan 8.270 nan 0.000 0.512 274 S N 0.854 116.529 115.700 -0.043 0.000 2.509 274 S HA 0.557 5.026 4.470 -0.001 0.000 0.297 274 S C -0.724 173.867 174.600 -0.016 0.000 1.118 274 S CA -0.587 57.609 58.200 -0.007 0.000 1.074 274 S CB 1.324 64.530 63.200 0.010 0.000 1.038 274 S HN 0.737 nan 8.310 nan 0.000 0.498 275 S N 1.109 116.827 115.700 0.031 0.000 2.566 275 S HA 0.919 5.389 4.470 -0.001 0.000 0.298 275 S C -0.825 173.848 174.600 0.121 0.000 1.083 275 S CA -0.932 57.319 58.200 0.086 0.000 0.978 275 S CB 1.802 65.085 63.200 0.138 0.000 1.073 275 S HN 0.945 nan 8.310 nan 0.000 0.491 276 A N 1.606 124.547 122.820 0.201 0.000 2.427 276 A HA 0.714 5.033 4.320 -0.001 0.000 0.298 276 A C -0.123 177.603 177.584 0.236 0.000 1.036 276 A CA -0.776 51.378 52.037 0.196 0.000 0.701 276 A CB 1.131 20.252 19.000 0.201 0.000 1.250 276 A HN 0.783 nan 8.150 nan 0.000 0.412 277 T N 3.396 118.066 114.554 0.192 0.000 2.901 277 T HA 0.409 4.759 4.350 -0.001 0.000 0.301 277 T C 0.537 175.362 174.700 0.207 0.000 1.012 277 T CA 0.584 62.798 62.100 0.190 0.000 1.135 277 T CB 0.085 69.048 68.868 0.159 0.000 0.936 277 T HN 0.582 nan 8.240 nan 0.000 0.539 278 M N 1.426 121.141 119.600 0.191 0.000 2.513 278 M HA 0.264 4.744 4.480 -0.001 0.000 0.291 278 M C 1.960 178.351 176.300 0.151 0.000 1.190 278 M CA -0.697 54.711 55.300 0.179 0.000 0.960 278 M CB 1.022 33.718 32.600 0.160 0.000 1.517 278 M HN 0.717 nan 8.290 nan 0.000 0.499 279 S N -0.421 115.357 115.700 0.131 0.000 2.442 279 S HA -0.157 4.313 4.470 -0.001 0.000 0.236 279 S C 0.867 175.506 174.600 0.066 0.000 1.007 279 S CA 1.595 59.849 58.200 0.090 0.000 0.965 279 S CB -0.648 62.580 63.200 0.047 0.000 0.773 279 S HN 0.830 nan 8.310 nan 0.000 0.504 280 D N -0.435 120.003 120.400 0.064 0.000 2.363 280 D HA 0.331 4.970 4.640 -0.001 0.000 0.214 280 D C 1.359 177.679 176.300 0.035 0.000 1.093 280 D CA 0.434 54.458 54.000 0.039 0.000 0.837 280 D CB -0.356 40.461 40.800 0.029 0.000 0.948 280 D HN 0.539 nan 8.370 nan 0.000 0.507 281 G N 0.264 109.100 108.800 0.061 0.000 2.195 281 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.246 281 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.246 281 G C 0.462 175.392 174.900 0.051 0.000 0.984 281 G CA -0.063 45.071 45.100 0.056 0.000 0.633 281 G HN 0.440 nan 8.290 nan 0.000 0.525 282 R N -0.526 120.001 120.500 0.044 0.000 2.649 282 R HA 0.582 4.922 4.340 -0.001 0.000 0.270 282 R C -0.172 176.204 176.300 0.126 0.000 1.105 282 R CA -0.175 55.943 56.100 0.030 0.000 1.193 282 R CB 1.073 31.377 30.300 0.007 0.000 1.120 282 R HN 0.104 nan 8.270 nan 0.000 0.561 283 V N 2.185 122.189 119.914 0.150 0.000 2.487 283 V HA 0.298 4.418 4.120 -0.001 0.000 0.298 283 V C -0.857 175.419 176.094 0.303 0.000 1.028 283 V CA -0.647 61.789 62.300 0.227 0.000 0.860 283 V CB 1.337 33.294 31.823 0.223 0.000 0.991 283 V HN 0.499 nan 8.190 nan 0.000 0.427 284 F N 3.679 123.746 119.950 0.195 0.000 2.450 284 F HA 0.786 5.313 4.527 -0.001 0.000 0.332 284 F C 0.095 176.018 175.800 0.206 0.000 1.093 284 F CA 0.155 58.282 58.000 0.211 0.000 1.003 284 F CB 2.002 41.091 39.000 0.148 0.000 1.151 284 F HN 0.517 nan 8.300 nan 0.000 0.474 285 T N 6.809 120.975 114.554 -0.647 0.000 2.900 285 T HA 0.691 5.040 4.350 -0.001 0.000 0.303 285 T C -1.765 172.403 174.700 -0.887 0.000 1.142 285 T CA -0.545 61.224 62.100 -0.551 0.000 1.007 285 T CB 1.152 69.906 68.868 -0.189 0.000 1.156 285 T HN 0.738 nan 8.240 nan 0.000 0.490 286 I N 1.634 121.864 120.570 -0.566 0.000 2.908 286 I HA 0.601 4.771 4.170 -0.001 0.000 0.300 286 I C 0.335 176.287 176.117 -0.274 0.000 1.385 286 I CA 0.510 61.541 61.300 -0.449 0.000 1.004 286 I CB 1.646 39.343 38.000 -0.506 0.000 1.309 286 I HN 1.075 nan 8.210 nan 0.000 0.449 287 G N 3.594 112.260 108.800 -0.223 0.000 2.601 287 G HA2 0.265 4.225 3.960 -0.001 0.000 0.252 287 G HA3 0.265 4.225 3.960 -0.001 0.000 0.252 287 G C 0.466 175.242 174.900 -0.207 0.000 1.294 287 G CA -0.094 44.891 45.100 -0.191 0.000 0.912 287 G HN 2.371 nan 8.290 nan 0.000 0.574 288 G N -3.169 105.520 108.800 -0.185 0.000 2.970 288 G HA2 0.228 4.188 3.960 -0.001 0.000 0.249 288 G HA3 0.228 4.188 3.960 -0.001 0.000 0.249 288 G C 0.426 175.214 174.900 -0.186 0.000 1.113 288 G CA 0.696 45.699 45.100 -0.163 0.000 1.119 288 G HN 1.830 nan 8.290 nan 0.000 0.552 289 S N -0.723 114.868 115.700 -0.182 0.000 2.597 289 S HA 0.146 4.615 4.470 -0.001 0.000 0.224 289 S C 1.472 176.021 174.600 -0.085 0.000 0.955 289 S CA 0.524 58.620 58.200 -0.173 0.000 0.933 289 S CB -0.114 62.998 63.200 -0.146 0.000 0.788 289 S HN 0.712 nan 8.310 nan 0.000 0.488 290 W N 3.447 124.538 121.300 -0.348 0.000 2.388 290 W HA 0.011 4.670 4.660 -0.001 0.000 0.294 290 W C 0.831 177.268 176.519 -0.138 0.000 1.212 290 W CA 1.200 58.283 57.345 -0.437 0.000 1.271 290 W CB 0.043 28.890 29.460 -1.021 0.000 1.126 290 W HN 0.280 nan 8.180 nan 0.000 0.535 291 S N -2.254 113.399 115.700 -0.078 0.000 2.627 291 S HA 0.623 5.093 4.470 -0.001 0.000 0.283 291 S C 0.484 175.041 174.600 -0.073 0.000 1.127 291 S CA -0.283 57.825 58.200 -0.153 0.000 0.863 291 S CB 1.339 64.529 63.200 -0.017 0.000 1.121 291 S HN 0.884 nan 8.310 nan 0.000 0.479 292 G N -0.447 108.324 108.800 -0.049 0.000 2.179 292 G HA2 0.340 4.299 3.960 -0.001 0.000 0.260 292 G HA3 0.340 4.299 3.960 -0.001 0.000 0.260 292 G C 1.205 176.180 174.900 0.126 0.000 0.977 292 G CA 0.354 45.466 45.100 0.021 0.000 0.641 292 G HN 2.669 nan 8.290 nan 0.000 0.533 293 G N -2.651 106.182 108.800 0.054 0.000 2.587 293 G HA2 0.328 4.287 3.960 -0.001 0.000 0.686 293 G HA3 0.328 4.287 3.960 -0.001 0.000 0.686 293 G C -0.584 174.337 174.900 0.034 0.000 1.236 293 G CA -0.043 45.153 45.100 0.162 0.000 0.820 293 G HN 1.478 nan 8.290 nan 0.000 0.645 294 V N 2.282 122.266 119.914 0.117 0.000 2.294 294 V HA 0.757 4.876 4.120 -0.001 0.000 0.272 294 V C 0.232 176.421 176.094 0.159 0.000 1.027 294 V CA 0.518 62.836 62.300 0.031 0.000 0.823 294 V CB -0.678 31.178 31.823 0.054 0.000 1.030 294 V HN 1.325 nan 8.190 nan 0.000 0.457 295 F N 0.707 120.653 119.950 -0.008 0.000 2.831 295 F HA 0.565 5.091 4.527 -0.001 0.000 0.318 295 F C -0.255 175.540 175.800 -0.009 0.000 1.174 295 F CA -1.518 56.476 58.000 -0.009 0.000 0.918 295 F CB 1.466 40.457 39.000 -0.016 0.000 1.364 295 F HN 0.244 nan 8.300 nan 0.000 0.475 296 E N 1.661 122.003 120.200 0.237 0.000 2.238 296 E HA 0.144 4.493 4.350 -0.001 0.000 0.264 296 E C -1.182 175.478 176.600 0.101 0.000 1.136 296 E CA -0.094 56.378 56.400 0.119 0.000 0.929 296 E CB 0.343 30.129 29.700 0.143 0.000 1.010 296 E HN 0.548 nan 8.360 nan 0.000 0.440 297 K N 4.596 124.946 120.400 -0.084 0.000 2.478 297 K HA 0.244 4.563 4.320 -0.001 0.000 0.236 297 K C -0.681 175.875 176.600 -0.074 0.000 1.021 297 K CA -0.425 55.792 56.287 -0.115 0.000 1.010 297 K CB 0.893 33.211 32.500 -0.303 0.000 1.331 297 K HN 0.483 nan 8.250 nan 0.000 0.470 298 N N 0.183 118.882 118.700 -0.002 0.000 2.322 298 N HA 0.152 4.891 4.740 -0.001 0.000 0.270 298 N C 0.605 176.081 175.510 -0.056 0.000 1.286 298 N CA -0.478 52.581 53.050 0.014 0.000 0.948 298 N CB 0.375 38.915 38.487 0.088 0.000 1.164 298 N HN 0.461 nan 8.380 nan 0.000 0.551 299 G N -0.874 107.912 108.800 -0.024 0.000 2.606 299 G HA2 0.348 4.307 3.960 -0.001 0.000 0.252 299 G HA3 0.348 4.307 3.960 -0.001 0.000 0.252 299 G C -0.719 174.161 174.900 -0.034 0.000 1.206 299 G CA -0.168 44.835 45.100 -0.162 0.000 0.861 299 G HN 0.715 nan 8.290 nan 0.000 0.561 300 E N -1.858 118.277 120.200 -0.108 0.000 2.392 300 E HA 0.546 4.895 4.350 -0.001 0.000 0.279 300 E C -1.951 174.849 176.600 0.333 0.000 0.964 300 E CA -1.044 55.451 56.400 0.158 0.000 0.777 300 E CB 2.221 32.012 29.700 0.152 0.000 1.249 300 E HN 0.558 nan 8.360 nan 0.000 0.449 301 V N 2.237 122.415 119.914 0.441 0.000 2.656 301 V HA 0.492 4.611 4.120 -0.001 0.000 0.307 301 V C -1.827 174.312 176.094 0.074 0.000 1.051 301 V CA -0.612 61.892 62.300 0.341 0.000 0.893 301 V CB 1.617 33.613 31.823 0.289 0.000 0.999 301 V HN 0.743 nan 8.190 nan 0.000 0.426 302 Y N 4.756 124.727 120.300 -0.548 0.000 2.342 302 Y HA 0.691 5.240 4.550 -0.001 0.000 0.334 302 Y C 0.169 175.803 175.900 -0.442 0.000 1.067 302 Y CA -0.121 57.377 58.100 -1.003 0.000 1.128 302 Y CB 1.918 39.341 38.460 -1.729 0.000 1.200 302 Y HN 0.662 nan 8.280 nan 0.000 0.464 303 S N 7.579 122.663 115.700 -1.025 0.000 2.530 303 S HA 0.421 4.890 4.470 -0.001 0.000 0.322 303 S C -2.238 171.714 174.600 -1.081 0.000 1.085 303 S CA -1.762 55.979 58.200 -0.765 0.000 1.096 303 S CB 1.259 64.228 63.200 -0.384 0.000 0.988 303 S HN 0.628 nan 8.310 nan 0.000 0.466 304 P HA -0.069 nan 4.420 nan 0.000 0.221 304 P C 1.517 178.665 177.300 -0.254 0.000 1.150 304 P CA 0.812 63.632 63.100 -0.467 0.000 0.800 304 P CB 0.083 31.688 31.700 -0.159 0.000 0.787 305 S N -0.766 114.798 115.700 -0.226 0.000 2.371 305 S HA -0.101 4.368 4.470 -0.001 0.000 0.224 305 S C 1.950 176.478 174.600 -0.121 0.000 1.029 305 S CA 1.547 59.667 58.200 -0.134 0.000 0.978 305 S CB -1.356 61.781 63.200 -0.106 0.000 0.833 305 S HN 0.234 nan 8.310 nan 0.000 0.466 306 S N 0.130 115.732 115.700 -0.163 0.000 2.524 306 S HA 0.316 4.785 4.470 -0.001 0.000 0.215 306 S C 0.214 174.752 174.600 -0.103 0.000 0.986 306 S CA -0.364 57.769 58.200 -0.112 0.000 0.911 306 S CB -0.269 62.875 63.200 -0.094 0.000 0.805 306 S HN 0.260 nan 8.310 nan 0.000 0.501 307 K N 2.243 122.534 120.400 -0.182 0.000 3.244 307 K HA -0.117 4.203 4.320 -0.001 0.000 0.270 307 K C -0.105 176.501 176.600 0.010 0.000 1.016 307 K CA 1.309 57.559 56.287 -0.062 0.000 0.754 307 K CB -2.892 29.643 32.500 0.059 0.000 1.326 307 K HN 0.881 nan 8.250 nan 0.000 0.465 308 T N -3.584 110.898 114.554 -0.120 0.000 2.906 308 T HA 0.704 5.053 4.350 -0.001 0.000 0.295 308 T C -0.678 174.017 174.700 -0.009 0.000 1.061 308 T CA -0.880 61.228 62.100 0.015 0.000 1.000 308 T CB 1.743 70.615 68.868 0.008 0.000 1.103 308 T HN 0.277 nan 8.240 nan 0.000 0.486 309 W N 1.010 122.404 121.300 0.157 0.000 2.532 309 W HA 0.582 5.241 4.660 -0.001 0.000 0.321 309 W C -0.414 176.165 176.519 0.100 0.000 1.037 309 W CA -0.456 56.986 57.345 0.162 0.000 1.220 309 W CB 2.456 32.002 29.460 0.144 0.000 1.361 309 W HN 0.723 nan 8.180 nan 0.000 0.468 310 T N 2.208 116.974 114.554 0.352 0.000 2.848 310 T HA 0.238 4.587 4.350 -0.001 0.000 0.285 310 T C -0.297 174.548 174.700 0.241 0.000 0.995 310 T CA -0.659 61.581 62.100 0.234 0.000 0.970 310 T CB 1.656 70.616 68.868 0.154 0.000 0.976 310 T HN 0.248 nan 8.240 nan 0.000 0.441 311 S N 2.432 118.241 115.700 0.183 0.000 2.562 311 S HA 0.368 4.837 4.470 -0.001 0.000 0.281 311 S C -0.096 174.601 174.600 0.162 0.000 1.333 311 S CA -0.500 57.793 58.200 0.154 0.000 1.052 311 S CB -0.166 63.102 63.200 0.113 0.000 0.884 311 S HN 0.555 nan 8.310 nan 0.000 0.506 312 L N 7.541 128.870 121.223 0.177 0.000 2.556 312 L HA 0.330 4.669 4.340 -0.001 0.000 0.243 312 L C -1.485 175.498 176.870 0.189 0.000 1.331 312 L CA -1.486 53.479 54.840 0.209 0.000 0.927 312 L CB 1.443 43.686 42.059 0.307 0.000 1.219 312 L HN 0.562 nan 8.230 nan 0.000 0.490 313 P HA -0.157 nan 4.420 nan 0.000 0.219 313 P C 0.578 177.967 177.300 0.147 0.000 1.146 313 P CA 1.256 64.434 63.100 0.131 0.000 0.808 313 P CB 0.314 32.077 31.700 0.104 0.000 0.779 314 N N -0.048 118.749 118.700 0.163 0.000 2.398 314 N HA 0.062 4.801 4.740 -0.001 0.000 0.188 314 N C 0.740 176.390 175.510 0.233 0.000 1.122 314 N CA 0.253 53.404 53.050 0.168 0.000 0.866 314 N CB -0.156 38.414 38.487 0.138 0.000 0.970 314 N HN 0.115 nan 8.380 nan 0.000 0.462 315 A N 1.684 124.684 122.820 0.299 0.000 3.015 315 A HA 0.139 4.459 4.320 -0.001 0.000 0.293 315 A C 0.173 178.012 177.584 0.425 0.000 1.572 315 A CA -0.481 51.833 52.037 0.462 0.000 1.274 315 A CB -0.099 19.235 19.000 0.558 0.000 1.156 315 A HN -0.146 nan 8.150 nan 0.000 0.562 316 K N 0.936 121.556 120.400 0.366 0.000 2.451 316 K HA 0.025 4.344 4.320 -0.001 0.000 0.280 316 K C 1.101 177.899 176.600 0.330 0.000 1.020 316 K CA -0.091 56.360 56.287 0.274 0.000 1.008 316 K CB 1.517 34.129 32.500 0.187 0.000 0.917 316 K HN 0.285 nan 8.250 nan 0.000 0.478 317 V N 3.369 123.393 119.914 0.184 0.000 2.951 317 V HA -0.167 3.952 4.120 -0.001 0.000 0.255 317 V C 2.060 178.221 176.094 0.112 0.000 1.088 317 V CA 1.183 63.560 62.300 0.128 0.000 1.109 317 V CB -0.370 31.462 31.823 0.015 0.000 0.724 317 V HN 0.736 nan 8.190 nan 0.000 0.471 318 N N 1.070 119.829 118.700 0.097 0.000 2.060 318 N HA -0.161 4.579 4.740 -0.001 0.000 0.195 318 N C -0.492 175.050 175.510 0.052 0.000 1.028 318 N CA 2.418 55.506 53.050 0.064 0.000 0.861 318 N CB -1.062 37.461 38.487 0.060 0.000 1.029 318 N HN 0.405 nan 8.380 nan 0.000 0.428 319 P HA -0.074 nan 4.420 nan 0.000 0.225 319 P C 1.255 178.556 177.300 0.002 0.000 1.148 319 P CA 1.101 64.216 63.100 0.024 0.000 0.779 319 P CB -0.128 31.575 31.700 0.004 0.000 0.780 320 M N -3.634 115.991 119.600 0.043 0.000 2.371 320 M HA 0.194 4.674 4.480 -0.001 0.000 0.246 320 M C -0.041 176.228 176.300 -0.052 0.000 1.103 320 M CA 0.324 55.620 55.300 -0.007 0.000 1.010 320 M CB -0.308 32.334 32.600 0.069 0.000 1.457 320 M HN -0.286 nan 8.290 nan 0.000 0.486 321 L N 2.845 124.050 121.223 -0.030 0.000 2.416 321 L HA 0.259 4.598 4.340 -0.001 0.000 0.272 321 L C 0.932 177.770 176.870 -0.054 0.000 1.161 321 L CA -0.396 54.421 54.840 -0.039 0.000 0.845 321 L CB 0.675 42.724 42.059 -0.016 0.000 1.119 321 L HN 0.395 nan 8.230 nan 0.000 0.464 322 T N -0.429 114.090 114.554 -0.058 0.000 2.788 322 T HA 0.449 4.798 4.350 -0.001 0.000 0.280 322 T C 0.591 175.276 174.700 -0.025 0.000 0.984 322 T CA -0.339 61.727 62.100 -0.057 0.000 0.972 322 T CB 1.428 70.262 68.868 -0.058 0.000 1.039 322 T HN 0.641 nan 8.240 nan 0.000 0.530 323 A N 0.388 123.196 122.820 -0.018 0.000 2.640 323 A HA 0.242 4.561 4.320 -0.001 0.000 0.282 323 A C 0.604 178.196 177.584 0.014 0.000 1.357 323 A CA -0.521 51.515 52.037 -0.002 0.000 0.946 323 A CB -0.905 18.092 19.000 -0.006 0.000 1.065 323 A HN 0.902 nan 8.150 nan 0.000 0.541 324 D N 0.838 121.253 120.400 0.024 0.000 2.533 324 D HA -0.031 4.608 4.640 -0.001 0.000 0.236 324 D C 0.786 177.119 176.300 0.055 0.000 1.137 324 D CA 0.535 54.566 54.000 0.052 0.000 0.867 324 D CB 0.721 41.568 40.800 0.078 0.000 1.170 324 D HN 0.358 nan 8.370 nan 0.000 0.474 325 K N 2.326 122.761 120.400 0.059 0.000 2.211 325 K HA -0.175 4.144 4.320 -0.001 0.000 0.204 325 K C 1.649 178.289 176.600 0.066 0.000 1.047 325 K CA 0.990 57.310 56.287 0.054 0.000 0.935 325 K CB 0.142 32.673 32.500 0.051 0.000 0.728 325 K HN 0.524 nan 8.250 nan 0.000 0.452 326 Q N -0.131 119.725 119.800 0.094 0.000 2.444 326 Q HA 0.063 4.402 4.340 -0.001 0.000 0.206 326 Q C 0.678 176.749 176.000 0.118 0.000 0.948 326 Q CA 0.219 56.093 55.803 0.119 0.000 0.946 326 Q CB 0.538 29.388 28.738 0.186 0.000 1.027 326 Q HN 0.419 nan 8.270 nan 0.000 0.513 327 G N 0.885 109.737 108.800 0.087 0.000 2.593 327 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.237 327 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.237 327 G C 0.188 175.133 174.900 0.074 0.000 1.312 327 G CA -0.158 44.984 45.100 0.070 0.000 0.896 327 G HN 0.222 nan 8.290 nan 0.000 0.574 328 L N -0.443 120.817 121.223 0.061 0.000 2.187 328 L HA -0.010 4.330 4.340 -0.001 0.000 0.213 328 L C 2.517 179.414 176.870 0.045 0.000 1.100 328 L CA 3.009 57.871 54.840 0.037 0.000 0.765 328 L CB -0.971 41.103 42.059 0.026 0.000 0.904 328 L HN 0.788 nan 8.230 nan 0.000 0.437 329 Y N 0.124 120.397 120.300 -0.045 0.000 2.193 329 Y HA -0.272 4.277 4.550 -0.001 0.000 0.285 329 Y C 2.237 178.111 175.900 -0.044 0.000 1.166 329 Y CA 1.904 59.964 58.100 -0.066 0.000 1.181 329 Y CB -0.032 38.387 38.460 -0.068 0.000 0.976 329 Y HN 0.172 nan 8.280 nan 0.000 0.520 330 R N -1.073 119.358 120.500 -0.115 0.000 2.257 330 R HA 0.090 4.430 4.340 -0.001 0.000 0.195 330 R C 2.490 178.788 176.300 -0.003 0.000 0.921 330 R CA 0.968 56.997 56.100 -0.119 0.000 1.069 330 R CB -1.085 29.226 30.300 0.019 0.000 1.115 330 R HN 0.432 nan 8.270 nan 0.000 0.571 331 S N 2.172 117.875 115.700 0.004 0.000 2.440 331 S HA -0.158 4.311 4.470 -0.001 0.000 0.240 331 S C 1.121 175.694 174.600 -0.044 0.000 1.014 331 S CA 1.737 59.933 58.200 -0.007 0.000 0.980 331 S CB -0.269 62.930 63.200 -0.002 0.000 0.775 331 S HN 0.354 nan 8.310 nan 0.000 0.499 332 D N 0.234 120.593 120.400 -0.069 0.000 2.363 332 D HA 0.133 4.773 4.640 -0.001 0.000 0.214 332 D C -0.114 176.111 176.300 -0.124 0.000 1.093 332 D CA -0.482 53.461 54.000 -0.095 0.000 0.837 332 D CB -1.062 39.674 40.800 -0.107 0.000 0.948 332 D HN 0.531 nan 8.370 nan 0.000 0.507 333 N N 0.887 119.508 118.700 -0.131 0.000 2.483 333 N HA 0.041 4.780 4.740 -0.001 0.000 0.269 333 N C -0.390 175.005 175.510 -0.193 0.000 1.209 333 N CA -0.591 52.307 53.050 -0.253 0.000 0.969 333 N CB 0.274 38.575 38.487 -0.311 0.000 1.173 333 N HN 0.093 nan 8.380 nan 0.000 0.475 334 H N -1.389 117.691 119.070 0.016 0.000 2.445 334 H HA -0.193 4.363 4.556 -0.001 0.000 0.322 334 H C -0.093 175.252 175.328 0.028 0.000 1.053 334 H CA 0.234 56.283 56.048 0.002 0.000 1.109 334 H CB -1.921 27.850 29.762 0.016 0.000 1.546 334 H HN 0.613 nan 8.280 nan 0.000 0.397 335 A N 0.371 123.219 122.820 0.048 0.000 2.498 335 A HA 0.151 4.470 4.320 -0.001 0.000 0.239 335 A C 0.324 177.981 177.584 0.122 0.000 1.068 335 A CA -0.265 51.764 52.037 -0.014 0.000 0.766 335 A CB 0.237 19.202 19.000 -0.058 0.000 1.003 335 A HN 0.419 nan 8.150 nan 0.000 0.497 336 W N 3.523 124.761 121.300 -0.104 0.000 1.836 336 W HA 0.394 5.053 4.660 -0.001 0.000 0.449 336 W C -0.514 175.881 176.519 -0.208 0.000 0.787 336 W CA -0.667 56.587 57.345 -0.152 0.000 1.729 336 W CB -1.076 28.372 29.460 -0.021 0.000 1.802 336 W HN 0.342 nan 8.180 nan 0.000 0.257 337 L N 2.614 123.764 121.223 -0.122 0.000 2.312 337 L HA 0.536 4.876 4.340 -0.001 0.000 0.281 337 L C -0.479 176.154 176.870 -0.395 0.000 1.070 337 L CA -0.490 54.286 54.840 -0.106 0.000 0.805 337 L CB 0.500 42.580 42.059 0.034 0.000 1.174 337 L HN -0.071 nan 8.230 nan 0.000 0.434 338 F N 0.222 120.290 119.950 0.197 0.000 2.562 338 F HA 0.435 4.961 4.527 -0.001 0.000 0.319 338 F C 0.749 176.726 175.800 0.294 0.000 1.154 338 F CA -0.715 57.420 58.000 0.224 0.000 0.931 338 F CB 1.823 40.940 39.000 0.195 0.000 1.198 338 F HN 0.449 nan 8.300 nan 0.000 0.444 339 G N 2.757 111.828 108.800 0.451 0.000 2.398 339 G HA2 0.181 4.140 3.960 -0.001 0.000 0.246 339 G HA3 0.181 4.140 3.960 -0.001 0.000 0.246 339 G C -0.926 174.334 174.900 0.600 0.000 1.289 339 G CA -0.163 45.190 45.100 0.422 0.000 0.869 339 G HN 0.727 nan 8.290 nan 0.000 0.543 340 W N 1.481 122.933 121.300 0.252 0.000 3.505 340 W HA 0.429 5.088 4.660 -0.001 0.000 0.338 340 W C -0.205 176.412 176.519 0.163 0.000 1.159 340 W CA -0.940 56.550 57.345 0.242 0.000 0.981 340 W CB 1.234 30.917 29.460 0.372 0.000 1.575 340 W HN 0.331 nan 8.180 nan 0.000 0.608 341 K N 2.074 122.258 120.400 -0.359 0.000 2.485 341 K HA -0.050 4.270 4.320 -0.001 0.000 0.277 341 K C -0.082 176.485 176.600 -0.054 0.000 0.990 341 K CA 0.764 56.861 56.287 -0.317 0.000 0.994 341 K CB 0.121 32.338 32.500 -0.470 0.000 0.906 341 K HN 0.290 nan 8.250 nan 0.000 0.488 342 K N 1.058 121.430 120.400 -0.047 0.000 3.156 342 K HA -0.268 4.051 4.320 -0.001 0.000 0.266 342 K C 0.634 177.275 176.600 0.068 0.000 0.966 342 K CA 0.420 56.714 56.287 0.012 0.000 0.719 342 K CB -2.022 30.485 32.500 0.012 0.000 1.333 342 K HN 1.149 nan 8.250 nan 0.000 0.468 343 G N -0.499 108.346 108.800 0.075 0.000 2.168 343 G HA2 -0.403 3.556 3.960 -0.001 0.000 0.263 343 G HA3 -0.403 3.556 3.960 -0.001 0.000 0.263 343 G C 0.198 175.161 174.900 0.105 0.000 0.977 343 G CA 0.592 45.750 45.100 0.098 0.000 0.659 343 G HN 0.949 nan 8.290 nan 0.000 0.533 344 S N -1.284 114.498 115.700 0.136 0.000 2.632 344 S HA 0.742 5.211 4.470 -0.001 0.000 0.267 344 S C -0.115 174.614 174.600 0.214 0.000 1.276 344 S CA -0.150 58.122 58.200 0.121 0.000 0.998 344 S CB 2.671 65.959 63.200 0.147 0.000 0.953 344 S HN 1.079 nan 8.310 nan 0.000 0.547 345 V N 2.265 122.275 119.914 0.159 0.000 2.569 345 V HA 0.443 4.563 4.120 -0.001 0.000 0.301 345 V C -1.009 175.263 176.094 0.296 0.000 1.044 345 V CA -0.694 61.728 62.300 0.203 0.000 0.874 345 V CB 1.298 33.066 31.823 -0.091 0.000 1.002 345 V HN 0.891 nan 8.190 nan 0.000 0.424 346 F N 4.232 124.268 119.950 0.142 0.000 2.394 346 F HA 0.499 5.025 4.527 -0.001 0.000 0.340 346 F C 0.270 176.080 175.800 0.017 0.000 1.105 346 F CA 0.003 57.892 58.000 -0.184 0.000 1.124 346 F CB 1.289 39.981 39.000 -0.513 0.000 1.145 346 F HN 0.505 nan 8.300 nan 0.000 0.505 347 Q N 5.749 125.046 119.800 -0.838 0.000 2.425 347 Q HA 0.428 4.767 4.340 -0.001 0.000 0.254 347 Q C -0.357 175.078 176.000 -0.941 0.000 1.032 347 Q CA -0.249 55.250 55.803 -0.508 0.000 0.798 347 Q CB 1.643 30.301 28.738 -0.133 0.000 1.210 347 Q HN 0.951 nan 8.270 nan 0.000 0.491 348 A N 2.814 125.373 122.820 -0.434 0.000 2.123 348 A HA 0.432 4.752 4.320 -0.001 0.000 0.214 348 A C 0.839 178.329 177.584 -0.157 0.000 1.152 348 A CA 1.195 53.165 52.037 -0.113 0.000 0.728 348 A CB 0.176 19.501 19.000 0.541 0.000 0.814 348 A HN 0.844 nan 8.150 nan 0.000 0.464 349 G N -1.899 106.598 108.800 -0.505 0.000 2.360 349 G HA2 0.283 4.242 3.960 -0.001 0.000 0.276 349 G HA3 0.283 4.242 3.960 -0.001 0.000 0.276 349 G C -2.514 171.604 174.900 -1.304 0.000 1.256 349 G CA 0.190 44.592 45.100 -1.163 0.000 0.890 349 G HN -0.169 nan 8.290 nan 0.000 0.486 350 P HA 0.015 nan 4.420 nan 0.000 0.222 350 P C 1.163 178.027 177.300 -0.727 0.000 1.147 350 P CA 1.430 63.716 63.100 -1.357 0.000 0.790 350 P CB -0.179 31.165 31.700 -0.593 0.000 0.780 351 S N -0.837 114.555 115.700 -0.513 0.000 2.568 351 S HA 0.048 4.517 4.470 -0.001 0.000 0.282 351 S C 1.363 175.782 174.600 -0.301 0.000 1.338 351 S CA -0.051 57.964 58.200 -0.309 0.000 1.045 351 S CB -0.039 63.027 63.200 -0.223 0.000 0.873 351 S HN 0.003 nan 8.310 nan 0.000 0.516 352 T N 2.151 116.589 114.554 -0.194 0.000 2.699 352 T HA -0.044 4.305 4.350 -0.001 0.000 0.268 352 T C 1.028 175.635 174.700 -0.156 0.000 1.036 352 T CA 1.555 63.563 62.100 -0.153 0.000 1.147 352 T CB -0.675 68.138 68.868 -0.092 0.000 0.862 352 T HN 1.000 nan 8.240 nan 0.000 0.446 353 A N 2.016 124.749 122.820 -0.146 0.000 2.451 353 A HA 0.539 4.858 4.320 -0.001 0.000 0.266 353 A C 0.174 177.638 177.584 -0.201 0.000 1.119 353 A CA -0.157 51.798 52.037 -0.135 0.000 0.786 353 A CB -0.209 18.731 19.000 -0.100 0.000 1.061 353 A HN 0.416 nan 8.150 nan 0.000 0.503 354 M N 3.078 122.552 119.600 -0.210 0.000 2.367 354 M HA 0.355 4.835 4.480 -0.001 0.000 0.339 354 M C -0.226 175.852 176.300 -0.370 0.000 1.177 354 M CA -0.241 54.847 55.300 -0.354 0.000 1.068 354 M CB 1.199 33.625 32.600 -0.291 0.000 1.602 354 M HN 0.712 nan 8.290 nan 0.000 0.457 355 N N 0.980 119.339 118.700 -0.569 0.000 2.357 355 N HA 0.431 5.171 4.740 -0.001 0.000 0.284 355 N C -2.069 173.071 175.510 -0.616 0.000 1.236 355 N CA -0.515 52.244 53.050 -0.485 0.000 0.774 355 N CB 1.981 40.189 38.487 -0.465 0.000 1.534 355 N HN 0.608 nan 8.380 nan 0.000 0.478 356 W N 1.019 122.123 121.300 -0.326 0.000 2.429 356 W HA 0.416 5.075 4.660 -0.001 0.000 0.314 356 W C -0.587 175.542 176.519 -0.649 0.000 1.062 356 W CA -0.519 56.632 57.345 -0.324 0.000 1.211 356 W CB 0.745 30.073 29.460 -0.220 0.000 1.305 356 W HN 0.364 nan 8.180 nan 0.000 0.476 357 Y N 2.692 122.896 120.300 -0.160 0.000 2.341 357 Y HA 0.387 4.936 4.550 -0.001 0.000 0.337 357 Y C -0.490 175.132 175.900 -0.462 0.000 1.014 357 Y CA -1.042 56.902 58.100 -0.260 0.000 1.111 357 Y CB 0.988 39.247 38.460 -0.334 0.000 1.194 357 Y HN 0.254 nan 8.280 nan 0.000 0.462 358 Y N -0.018 120.367 120.300 0.142 0.000 2.409 358 Y HA 0.333 4.883 4.550 -0.001 0.000 0.339 358 Y C 0.976 176.923 175.900 0.078 0.000 1.033 358 Y CA -0.930 57.223 58.100 0.088 0.000 1.094 358 Y CB 1.912 40.422 38.460 0.082 0.000 1.210 358 Y HN 0.622 nan 8.280 nan 0.000 0.456 359 T N -3.271 111.407 114.554 0.207 0.000 3.085 359 T HA 0.137 4.486 4.350 -0.001 0.000 0.264 359 T C 0.229 175.034 174.700 0.175 0.000 1.019 359 T CA -0.243 61.967 62.100 0.185 0.000 0.910 359 T CB -0.403 68.552 68.868 0.145 0.000 1.059 359 T HN 0.485 nan 8.240 nan 0.000 0.542 360 S N 0.630 116.431 115.700 0.168 0.000 2.584 360 S HA 0.635 5.104 4.470 -0.001 0.000 0.273 360 S C 1.253 175.919 174.600 0.110 0.000 1.311 360 S CA -0.066 58.203 58.200 0.116 0.000 1.034 360 S CB 0.576 63.827 63.200 0.085 0.000 0.939 360 S HN 1.165 nan 8.310 nan 0.000 0.513 361 G N 2.428 111.281 108.800 0.088 0.000 2.596 361 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.295 361 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.295 361 G C 0.687 175.652 174.900 0.108 0.000 1.240 361 G CA 0.199 45.349 45.100 0.083 0.000 0.985 361 G HN 1.313 nan 8.290 nan 0.000 0.555 362 S N 2.036 117.801 115.700 0.108 0.000 2.671 362 S HA 0.480 4.949 4.470 -0.001 0.000 0.220 362 S C 1.039 175.739 174.600 0.167 0.000 0.951 362 S CA 1.478 59.754 58.200 0.127 0.000 0.932 362 S CB -0.573 62.689 63.200 0.104 0.000 0.777 362 S HN 2.394 nan 8.310 nan 0.000 0.508 363 G N 1.154 110.066 108.800 0.187 0.000 2.707 363 G HA2 0.050 4.009 3.960 -0.001 0.000 0.686 363 G HA3 0.050 4.009 3.960 -0.001 0.000 0.686 363 G C -1.343 173.703 174.900 0.242 0.000 1.315 363 G CA -0.512 44.738 45.100 0.250 0.000 0.832 363 G HN 0.315 nan 8.290 nan 0.000 0.573 364 D N -2.062 118.533 120.400 0.325 0.000 2.671 364 D HA 0.675 5.314 4.640 -0.001 0.000 0.273 364 D C -1.257 175.279 176.300 0.394 0.000 1.264 364 D CA 0.508 54.692 54.000 0.306 0.000 0.788 364 D CB 2.096 43.012 40.800 0.195 0.000 1.324 364 D HN 1.296 nan 8.370 nan 0.000 0.424 365 V N 1.230 121.301 119.914 0.262 0.000 2.808 365 V HA 0.673 4.792 4.120 -0.001 0.000 0.308 365 V C -1.645 174.520 176.094 0.118 0.000 1.099 365 V CA -0.485 61.843 62.300 0.046 0.000 0.920 365 V CB 1.857 33.602 31.823 -0.130 0.000 1.014 365 V HN 0.590 nan 8.190 nan 0.000 0.425 366 K N 3.773 124.258 120.400 0.142 0.000 2.427 366 K HA 0.586 4.905 4.320 -0.001 0.000 0.252 366 K C -0.553 176.131 176.600 0.141 0.000 0.931 366 K CA -0.386 56.023 56.287 0.204 0.000 0.793 366 K CB 2.053 34.780 32.500 0.378 0.000 1.211 366 K HN 0.783 nan 8.250 nan 0.000 0.426 367 S N 2.198 117.956 115.700 0.097 0.000 2.537 367 S HA 0.198 4.668 4.470 -0.001 0.000 0.286 367 S C 0.478 175.167 174.600 0.148 0.000 1.299 367 S CA 0.240 58.476 58.200 0.060 0.000 1.067 367 S CB 0.661 63.887 63.200 0.043 0.000 0.864 367 S HN 0.652 nan 8.310 nan 0.000 0.494 368 A N 4.027 126.893 122.820 0.076 0.000 2.503 368 A HA 0.648 4.967 4.320 -0.001 0.000 0.263 368 A C 1.048 178.689 177.584 0.095 0.000 1.258 368 A CA 0.287 52.413 52.037 0.149 0.000 0.936 368 A CB -0.921 18.076 19.000 -0.004 0.000 1.070 368 A HN 1.976 nan 8.150 nan 0.000 0.522 369 G N 0.001 108.830 108.800 0.048 0.000 2.757 369 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.638 369 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.638 369 G C -0.605 174.289 174.900 -0.011 0.000 1.344 369 G CA -0.511 44.606 45.100 0.029 0.000 0.855 369 G HN 0.478 nan 8.290 nan 0.000 0.537 370 K N -0.080 120.312 120.400 -0.014 0.000 2.143 370 K HA 0.438 4.757 4.320 -0.001 0.000 0.272 370 K C 0.784 177.354 176.600 -0.050 0.000 1.001 370 K CA -0.747 55.514 56.287 -0.042 0.000 0.915 370 K CB 1.481 33.962 32.500 -0.032 0.000 1.047 370 K HN 0.608 nan 8.250 nan 0.000 0.458 371 R N 3.366 123.807 120.500 -0.097 0.000 2.351 371 R HA -0.031 4.309 4.340 -0.001 0.000 0.318 371 R C -0.394 175.793 176.300 -0.189 0.000 1.055 371 R CA 0.510 56.513 56.100 -0.161 0.000 0.968 371 R CB 0.253 30.424 30.300 -0.215 0.000 0.974 371 R HN 0.762 nan 8.270 nan 0.000 0.439 372 Q N 1.834 121.563 119.800 -0.117 0.000 2.814 372 Q HA 0.546 4.886 4.340 -0.001 0.000 0.322 372 Q C -1.571 174.552 176.000 0.206 0.000 0.861 372 Q CA -1.059 54.766 55.803 0.036 0.000 0.773 372 Q CB 1.741 30.505 28.738 0.043 0.000 1.423 372 Q HN 0.627 nan 8.270 nan 0.000 0.495 373 S N -0.816 115.025 115.700 0.236 0.000 2.724 373 S HA 0.289 4.759 4.470 -0.001 0.000 0.278 373 S C -0.311 174.359 174.600 0.117 0.000 1.190 373 S CA -0.097 58.242 58.200 0.232 0.000 0.860 373 S CB 0.224 63.651 63.200 0.378 0.000 1.206 373 S HN 0.853 nan 8.310 nan 0.000 0.507 374 N N 0.444 119.190 118.700 0.077 0.000 2.573 374 N HA -0.014 4.725 4.740 -0.001 0.000 0.187 374 N C 1.027 176.520 175.510 -0.028 0.000 1.107 374 N CA 0.500 53.563 53.050 0.022 0.000 0.918 374 N CB -0.513 37.983 38.487 0.015 0.000 0.966 374 N HN 0.569 nan 8.380 nan 0.000 0.448 375 R N -0.670 119.793 120.500 -0.061 0.000 2.300 375 R HA 0.292 4.631 4.340 -0.001 0.000 0.199 375 R C 0.435 176.694 176.300 -0.069 0.000 0.920 375 R CA 0.491 56.499 56.100 -0.153 0.000 1.046 375 R CB 0.219 30.264 30.300 -0.425 0.000 0.984 375 R HN 0.361 nan 8.270 nan 0.000 0.493 376 G N 0.047 108.852 108.800 0.008 0.000 2.353 376 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.615 376 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.615 376 G C -1.047 173.898 174.900 0.075 0.000 1.280 376 G CA -1.021 44.096 45.100 0.029 0.000 1.000 376 G HN -0.070 nan 8.290 nan 0.000 0.516 377 V N 1.229 121.173 119.914 0.050 0.000 2.508 377 V HA 0.521 4.640 4.120 -0.001 0.000 0.281 377 V C 1.319 177.449 176.094 0.060 0.000 1.041 377 V CA 0.365 62.690 62.300 0.041 0.000 1.016 377 V CB 0.871 32.703 31.823 0.014 0.000 0.984 377 V HN 1.875 nan 8.190 nan 0.000 0.478 378 A N 9.171 132.020 122.820 0.048 0.000 2.454 378 A HA 0.530 4.849 4.320 -0.001 0.000 0.260 378 A C -1.732 175.868 177.584 0.026 0.000 1.106 378 A CA -1.025 51.057 52.037 0.076 0.000 0.780 378 A CB -0.168 18.806 19.000 -0.044 0.000 1.044 378 A HN 0.686 nan 8.150 nan 0.000 0.498 379 P HA 0.128 nan 4.420 nan 0.000 0.274 379 P C -0.757 176.536 177.300 -0.011 0.000 1.256 379 P CA -0.504 62.604 63.100 0.013 0.000 0.795 379 P CB 0.515 32.231 31.700 0.026 0.000 1.038 380 D N -0.090 120.287 120.400 -0.038 0.000 2.488 380 D HA 0.183 4.823 4.640 -0.001 0.000 0.238 380 D C 0.255 176.533 176.300 -0.037 0.000 1.138 380 D CA 0.730 54.684 54.000 -0.076 0.000 0.873 380 D CB 0.105 40.864 40.800 -0.067 0.000 1.183 380 D HN 0.333 nan 8.370 nan 0.000 0.458 381 A N 3.092 125.883 122.820 -0.049 0.000 3.204 381 A HA 0.220 4.540 4.320 -0.001 0.000 0.327 381 A C 0.104 177.753 177.584 0.108 0.000 0.998 381 A CA -0.700 51.385 52.037 0.080 0.000 0.891 381 A CB 0.044 19.206 19.000 0.269 0.000 1.061 381 A HN 0.416 nan 8.150 nan 0.000 0.478 382 M N 0.745 120.348 119.600 0.005 0.000 2.284 382 M HA 0.201 4.680 4.480 -0.001 0.000 0.351 382 M C 0.710 176.983 176.300 -0.044 0.000 1.443 382 M CA 0.736 56.030 55.300 -0.011 0.000 1.031 382 M CB -1.072 31.507 32.600 -0.036 0.000 1.893 382 M HN 0.885 nan 8.290 nan 0.000 0.456 383 C N 3.329 122.647 119.300 0.029 0.000 4.417 383 C HA -0.113 4.346 4.460 -0.001 0.000 0.284 383 C C 1.003 175.961 174.990 -0.053 0.000 1.379 383 C CA 0.350 59.340 59.018 -0.047 0.000 1.918 383 C CB -2.807 24.843 27.740 -0.150 0.000 1.280 383 C HN 1.173 nan 8.230 nan 0.000 0.783 384 G N 0.391 109.265 108.800 0.123 0.000 2.507 384 G HA2 0.499 4.458 3.960 -0.001 0.000 0.271 384 G HA3 0.499 4.458 3.960 -0.001 0.000 0.271 384 G C -0.308 174.255 174.900 -0.560 0.000 1.189 384 G CA -0.228 44.865 45.100 -0.012 0.000 0.859 384 G HN 0.671 nan 8.290 nan 0.000 0.542 385 N N -0.718 117.391 118.700 -0.985 0.000 2.482 385 N HA 0.590 5.330 4.740 -0.001 0.000 0.279 385 N C -0.538 174.066 175.510 -1.510 0.000 1.182 385 N CA -0.496 51.816 53.050 -1.229 0.000 0.969 385 N CB 1.807 39.590 38.487 -1.174 0.000 1.201 385 N HN 0.639 nan 8.380 nan 0.000 0.523 386 A N 1.077 123.299 122.820 -0.996 0.000 2.429 386 A HA 0.526 4.845 4.320 -0.001 0.000 0.289 386 A C -1.245 176.361 177.584 0.036 0.000 1.043 386 A CA -0.488 51.237 52.037 -0.520 0.000 0.722 386 A CB 0.946 19.716 19.000 -0.383 0.000 1.243 386 A HN 0.353 nan 8.150 nan 0.000 0.415 387 V N 3.198 123.212 119.914 0.166 0.000 2.577 387 V HA 0.444 4.564 4.120 -0.001 0.000 0.303 387 V C -0.005 176.217 176.094 0.213 0.000 1.042 387 V CA -0.322 62.150 62.300 0.287 0.000 0.872 387 V CB 1.859 33.874 31.823 0.321 0.000 0.998 387 V HN 0.976 nan 8.190 nan 0.000 0.423 388 M N 5.638 125.342 119.600 0.174 0.000 2.497 388 M HA 0.257 4.736 4.480 -0.001 0.000 0.336 388 M C 0.586 176.929 176.300 0.072 0.000 1.378 388 M CA -0.438 54.824 55.300 -0.065 0.000 1.375 388 M CB 0.105 32.647 32.600 -0.097 0.000 1.337 388 M HN 0.874 nan 8.290 nan 0.000 0.461 389 Y N 0.910 121.248 120.300 0.064 0.000 2.519 389 Y HA 0.297 4.847 4.550 -0.001 0.000 0.287 389 Y C 0.034 175.987 175.900 0.089 0.000 1.128 389 Y CA -0.101 58.053 58.100 0.091 0.000 1.282 389 Y CB 0.191 38.711 38.460 0.099 0.000 1.027 389 Y HN 0.474 nan 8.280 nan 0.000 0.551 390 D N 0.506 120.737 120.400 -0.283 0.000 2.328 390 D HA 0.362 5.001 4.640 -0.001 0.000 0.243 390 D C 0.569 176.817 176.300 -0.086 0.000 1.324 390 D CA 0.048 53.975 54.000 -0.122 0.000 0.966 390 D CB 1.343 42.063 40.800 -0.134 0.000 1.324 390 D HN 0.220 nan 8.370 nan 0.000 0.549 391 A N 2.243 125.108 122.820 0.075 0.000 2.015 391 A HA -0.053 4.266 4.320 -0.001 0.000 0.219 391 A C 2.043 179.769 177.584 0.235 0.000 1.163 391 A CA 1.146 53.311 52.037 0.213 0.000 0.646 391 A CB -0.070 19.125 19.000 0.326 0.000 0.806 391 A HN 0.428 nan 8.150 nan 0.000 0.448 392 V N 0.108 120.097 119.914 0.126 0.000 2.427 392 V HA -0.155 3.964 4.120 -0.001 0.000 0.248 392 V C 1.911 178.065 176.094 0.101 0.000 1.051 392 V CA 1.900 64.254 62.300 0.090 0.000 1.048 392 V CB -0.422 31.428 31.823 0.045 0.000 0.666 392 V HN 0.385 nan 8.190 nan 0.000 0.456 393 K N -0.110 120.328 120.400 0.064 0.000 2.387 393 K HA 0.287 4.606 4.320 -0.001 0.000 0.198 393 K C 1.405 178.012 176.600 0.012 0.000 1.022 393 K CA 0.647 56.956 56.287 0.037 0.000 1.128 393 K CB 0.182 32.683 32.500 0.002 0.000 0.853 393 K HN 0.502 nan 8.250 nan 0.000 0.523 394 G N 2.667 111.502 108.800 0.058 0.000 2.225 394 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.267 394 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.267 394 G C -0.239 174.452 174.900 -0.348 0.000 1.024 394 G CA 0.227 45.254 45.100 -0.122 0.000 0.784 394 G HN 0.104 nan 8.290 nan 0.000 0.507 395 K N 0.157 120.332 120.400 -0.375 0.000 2.312 395 K HA 0.529 4.848 4.320 -0.001 0.000 0.287 395 K C 0.509 176.716 176.600 -0.656 0.000 1.062 395 K CA -0.153 55.806 56.287 -0.547 0.000 0.934 395 K CB 1.109 33.121 32.500 -0.814 0.000 1.027 395 K HN 0.393 nan 8.250 nan 0.000 0.478 396 I N 3.828 124.149 120.570 -0.414 0.000 2.466 396 I HA 0.206 4.375 4.170 -0.001 0.000 0.289 396 I C -0.644 175.478 176.117 0.009 0.000 1.026 396 I CA -1.227 59.898 61.300 -0.293 0.000 1.078 396 I CB 1.679 39.402 38.000 -0.461 0.000 1.249 396 I HN 0.242 nan 8.210 nan 0.000 0.429 397 L N 7.277 128.620 121.223 0.199 0.000 2.272 397 L HA 0.591 4.930 4.340 -0.001 0.000 0.289 397 L C 0.132 177.093 176.870 0.152 0.000 1.032 397 L CA 0.311 55.282 54.840 0.218 0.000 0.810 397 L CB 1.370 43.564 42.059 0.225 0.000 1.205 397 L HN 0.722 nan 8.230 nan 0.000 0.422 398 T N 2.109 116.711 114.554 0.080 0.000 2.856 398 T HA 0.846 5.196 4.350 -0.001 0.000 0.283 398 T C -0.648 174.044 174.700 -0.014 0.000 1.008 398 T CA -0.539 61.443 62.100 -0.195 0.000 0.997 398 T CB 1.265 70.078 68.868 -0.091 0.000 0.992 398 T HN 0.525 nan 8.240 nan 0.000 0.454 399 F N -1.055 118.793 119.950 -0.170 0.000 2.688 399 F HA 0.764 5.290 4.527 -0.001 0.000 0.308 399 F C 0.339 176.145 175.800 0.011 0.000 1.117 399 F CA -0.357 57.592 58.000 -0.085 0.000 0.976 399 F CB 0.731 39.674 39.000 -0.095 0.000 1.291 399 F HN 1.211 nan 8.300 nan 0.000 0.439 400 G N 0.584 109.441 108.800 0.095 0.000 2.598 400 G HA2 0.460 4.419 3.960 -0.001 0.000 0.244 400 G HA3 0.460 4.419 3.960 -0.001 0.000 0.244 400 G C 0.358 175.301 174.900 0.072 0.000 1.302 400 G CA 0.522 45.619 45.100 -0.005 0.000 0.903 400 G HN 3.238 nan 8.290 nan 0.000 0.575 401 G N -2.542 106.293 108.800 0.059 0.000 2.757 401 G HA2 0.484 4.444 3.960 -0.001 0.000 0.638 401 G HA3 0.484 4.444 3.960 -0.001 0.000 0.638 401 G C 0.065 174.935 174.900 -0.050 0.000 1.344 401 G CA 0.828 45.941 45.100 0.023 0.000 0.855 401 G HN 2.944 nan 8.290 nan 0.000 0.537 402 S N -0.703 114.948 115.700 -0.081 0.000 2.595 402 S HA 0.822 5.292 4.470 -0.001 0.000 0.281 402 S C -1.854 172.721 174.600 -0.042 0.000 1.117 402 S CA -0.682 57.471 58.200 -0.078 0.000 0.873 402 S CB 2.778 65.894 63.200 -0.140 0.000 1.108 402 S HN 0.442 nan 8.310 nan 0.000 0.477 403 P HA 0.021 nan 4.420 nan 0.000 0.216 403 P C -0.371 176.932 177.300 0.006 0.000 1.150 403 P CA 1.425 64.520 63.100 -0.009 0.000 0.837 403 P CB -0.004 31.694 31.700 -0.003 0.000 0.786 404 D N -3.283 117.126 120.400 0.016 0.000 2.350 404 D HA 0.094 4.733 4.640 -0.001 0.000 0.238 404 D C 0.566 176.919 176.300 0.089 0.000 0.989 404 D CA -0.690 53.351 54.000 0.067 0.000 0.921 404 D CB 0.830 41.676 40.800 0.075 0.000 1.297 404 D HN -0.078 nan 8.370 nan 0.000 0.490 405 Y N 0.952 121.283 120.300 0.052 0.000 2.165 405 Y HA -0.217 4.333 4.550 -0.001 0.000 0.286 405 Y C 1.091 177.051 175.900 0.100 0.000 1.155 405 Y CA 1.706 59.867 58.100 0.103 0.000 1.164 405 Y CB 0.395 38.938 38.460 0.140 0.000 0.978 405 Y HN 0.423 nan 8.280 nan 0.000 0.513 406 Q N -1.724 118.265 119.800 0.315 0.000 2.528 406 Q HA 0.270 4.610 4.340 -0.001 0.000 0.289 406 Q C -0.885 175.181 176.000 0.110 0.000 1.091 406 Q CA -0.483 55.448 55.803 0.212 0.000 0.797 406 Q CB 1.853 30.729 28.738 0.230 0.000 1.466 406 Q HN 0.158 nan 8.270 nan 0.000 0.436 407 D N -0.038 120.407 120.400 0.075 0.000 2.708 407 D HA -0.157 4.482 4.640 -0.001 0.000 0.236 407 D C -1.104 175.210 176.300 0.023 0.000 1.146 407 D CA 1.583 55.611 54.000 0.046 0.000 0.662 407 D CB -1.046 39.788 40.800 0.055 0.000 1.059 407 D HN 0.496 nan 8.370 nan 0.000 0.428 408 S N -0.399 115.299 115.700 -0.004 0.000 2.540 408 S HA 0.317 4.786 4.470 -0.001 0.000 0.275 408 S C -1.179 173.388 174.600 -0.056 0.000 1.123 408 S CA -0.819 57.368 58.200 -0.022 0.000 0.907 408 S CB 1.783 64.972 63.200 -0.018 0.000 1.081 408 S HN -0.038 nan 8.310 nan 0.000 0.476 409 D N 2.834 123.206 120.400 -0.047 0.000 2.351 409 D HA 0.510 5.150 4.640 -0.001 0.000 0.251 409 D C 0.423 176.678 176.300 -0.076 0.000 1.137 409 D CA 0.259 54.224 54.000 -0.058 0.000 0.879 409 D CB 1.426 42.203 40.800 -0.038 0.000 1.181 409 D HN 0.669 nan 8.370 nan 0.000 0.448 410 A N 2.140 124.897 122.820 -0.104 0.000 2.313 410 A HA 0.591 4.910 4.320 -0.001 0.000 0.261 410 A C 0.624 178.161 177.584 -0.078 0.000 1.090 410 A CA -0.351 51.616 52.037 -0.117 0.000 0.807 410 A CB 0.465 19.363 19.000 -0.170 0.000 1.055 410 A HN 0.587 nan 8.150 nan 0.000 0.492 411 T N -3.194 111.320 114.554 -0.066 0.000 2.910 411 T HA 0.547 4.897 4.350 -0.001 0.000 0.287 411 T C 0.589 175.251 174.700 -0.063 0.000 1.050 411 T CA 0.243 62.319 62.100 -0.040 0.000 1.011 411 T CB 1.163 70.037 68.868 0.010 0.000 1.195 411 T HN 1.038 nan 8.240 nan 0.000 0.540 412 T N -1.706 112.815 114.554 -0.055 0.000 3.122 412 T HA 0.240 4.589 4.350 -0.001 0.000 0.250 412 T C 0.396 175.046 174.700 -0.084 0.000 1.067 412 T CA -0.493 61.540 62.100 -0.113 0.000 0.966 412 T CB -1.041 67.743 68.868 -0.139 0.000 1.002 412 T HN 0.689 nan 8.240 nan 0.000 0.542 413 N N 1.934 120.648 118.700 0.024 0.000 2.412 413 N HA 0.393 5.133 4.740 -0.001 0.000 0.258 413 N C -0.509 174.900 175.510 -0.168 0.000 1.236 413 N CA -0.035 53.049 53.050 0.056 0.000 0.882 413 N CB 0.321 38.942 38.487 0.223 0.000 1.066 413 N HN 0.541 nan 8.380 nan 0.000 0.465 414 A N 2.364 124.771 122.820 -0.689 0.000 2.459 414 A HA 0.550 4.870 4.320 -0.001 0.000 0.296 414 A C -1.541 175.463 177.584 -0.968 0.000 1.039 414 A CA -0.661 51.042 52.037 -0.557 0.000 0.698 414 A CB 0.987 19.760 19.000 -0.378 0.000 1.261 414 A HN 0.785 nan 8.150 nan 0.000 0.405 415 H N 0.666 119.585 119.070 -0.252 0.000 2.865 415 H HA 0.687 5.242 4.556 -0.001 0.000 0.372 415 H C -0.802 174.482 175.328 -0.073 0.000 1.173 415 H CA -0.733 55.224 56.048 -0.152 0.000 1.147 415 H CB 1.663 31.424 29.762 -0.002 0.000 1.805 415 H HN 0.478 nan 8.280 nan 0.000 0.553 416 I N 2.932 123.565 120.570 0.104 0.000 2.382 416 I HA 0.282 4.451 4.170 -0.001 0.000 0.286 416 I C -0.382 175.782 176.117 0.079 0.000 1.002 416 I CA -0.264 61.091 61.300 0.092 0.000 1.135 416 I CB 0.718 38.784 38.000 0.109 0.000 1.288 416 I HN 0.452 nan 8.210 nan 0.000 0.448 417 I N 5.417 125.997 120.570 0.017 0.000 2.377 417 I HA 0.309 4.479 4.170 -0.001 0.000 0.293 417 I C 0.121 176.141 176.117 -0.161 0.000 0.987 417 I CA -0.292 60.975 61.300 -0.054 0.000 1.185 417 I CB 1.824 39.790 38.000 -0.056 0.000 1.341 417 I HN 0.441 nan 8.210 nan 0.000 0.455 418 T N 7.164 121.628 114.554 -0.151 0.000 2.821 418 T HA 0.462 4.812 4.350 -0.001 0.000 0.307 418 T C -0.020 174.544 174.700 -0.227 0.000 1.034 418 T CA -0.499 61.499 62.100 -0.170 0.000 0.953 418 T CB 0.386 69.214 68.868 -0.067 0.000 0.968 418 T HN 0.271 nan 8.240 nan 0.000 0.462 419 L N 2.761 123.757 121.223 -0.378 0.000 2.380 419 L HA 0.560 4.899 4.340 -0.001 0.000 0.273 419 L C 1.226 178.074 176.870 -0.037 0.000 1.138 419 L CA -0.191 54.399 54.840 -0.417 0.000 0.832 419 L CB 0.650 42.096 42.059 -1.021 0.000 1.124 419 L HN 0.762 nan 8.230 nan 0.000 0.454 420 G N 2.150 111.018 108.800 0.113 0.000 3.414 420 G HA2 0.273 4.232 3.960 -0.001 0.000 0.196 420 G HA3 0.273 4.232 3.960 -0.001 0.000 0.196 420 G C -0.413 174.678 174.900 0.319 0.000 1.486 420 G CA -0.270 44.949 45.100 0.198 0.000 0.811 420 G HN 0.448 nan 8.290 nan 0.000 0.704 421 E N 1.179 121.464 120.200 0.141 0.000 2.283 421 E HA 0.360 4.709 4.350 -0.001 0.000 0.271 421 E C -2.329 174.112 176.600 -0.265 0.000 1.031 421 E CA -1.897 54.520 56.400 0.029 0.000 0.868 421 E CB 1.284 30.969 29.700 -0.025 0.000 1.094 421 E HN 0.001 nan 8.360 nan 0.000 0.401 422 P HA 0.050 nan 4.420 nan 0.000 0.265 422 P C 0.628 177.402 177.300 -0.876 0.000 1.193 422 P CA 0.992 63.361 63.100 -1.219 0.000 0.765 422 P CB 0.473 31.882 31.700 -0.484 0.000 0.823 423 G N 1.502 109.478 108.800 -1.374 0.000 2.194 423 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.236 423 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.236 423 G C 0.249 175.086 174.900 -0.105 0.000 0.987 423 G CA 0.262 45.130 45.100 -0.387 0.000 0.635 423 G HN 0.795 nan 8.290 nan 0.000 0.520 424 T N -0.877 113.629 114.554 -0.081 0.000 2.867 424 T HA 0.681 5.030 4.350 -0.001 0.000 0.282 424 T C 0.203 175.135 174.700 0.386 0.000 1.000 424 T CA 0.277 62.462 62.100 0.141 0.000 1.042 424 T CB 1.984 70.899 68.868 0.079 0.000 0.973 424 T HN 0.435 nan 8.240 nan 0.000 0.465 425 S N 4.837 120.699 115.700 0.269 0.000 2.455 425 S HA 0.321 4.790 4.470 -0.001 0.000 0.278 425 S C -1.722 172.976 174.600 0.164 0.000 1.216 425 S CA -0.847 57.499 58.200 0.244 0.000 1.055 425 S CB -0.115 63.179 63.200 0.156 0.000 0.939 425 S HN 0.706 nan 8.310 nan 0.000 0.494 426 P HA 0.069 nan 4.420 nan 0.000 0.275 426 P C -0.425 176.887 177.300 0.021 0.000 1.228 426 P CA -0.584 62.526 63.100 0.016 0.000 0.786 426 P CB 0.512 32.114 31.700 -0.162 0.000 0.927 427 N N 1.730 120.438 118.700 0.013 0.000 2.513 427 N HA 0.101 4.841 4.740 -0.001 0.000 0.268 427 N C -0.710 174.817 175.510 0.030 0.000 1.180 427 N CA 0.216 53.285 53.050 0.031 0.000 0.948 427 N CB 0.508 39.014 38.487 0.033 0.000 1.083 427 N HN 0.467 nan 8.380 nan 0.000 0.455 428 T N 0.036 114.626 114.554 0.060 0.000 2.881 428 T HA 0.577 4.926 4.350 -0.001 0.000 0.290 428 T C -0.045 174.743 174.700 0.148 0.000 1.000 428 T CA -0.807 61.348 62.100 0.093 0.000 0.978 428 T CB 1.037 69.952 68.868 0.078 0.000 0.997 428 T HN 0.342 nan 8.240 nan 0.000 0.443 429 V N 0.396 120.421 119.914 0.185 0.000 3.141 429 V HA 0.845 4.965 4.120 -0.001 0.000 0.312 429 V C -0.751 175.498 176.094 0.258 0.000 1.157 429 V CA -1.505 60.922 62.300 0.212 0.000 1.041 429 V CB 1.620 33.531 31.823 0.146 0.000 1.071 429 V HN 0.863 nan 8.190 nan 0.000 0.441 430 F N 1.801 121.778 119.950 0.046 0.000 2.399 430 F HA 0.723 5.250 4.527 -0.001 0.000 0.342 430 F C 0.805 176.574 175.800 -0.051 0.000 1.106 430 F CA 0.142 58.076 58.000 -0.110 0.000 1.196 430 F CB 1.104 40.032 39.000 -0.121 0.000 1.163 430 F HN 0.911 nan 8.300 nan 0.000 0.547 431 A N 4.852 127.406 122.820 -0.443 0.000 2.310 431 A HA 0.496 4.815 4.320 -0.001 0.000 0.300 431 A C 0.688 178.288 177.584 0.026 0.000 1.269 431 A CA 0.544 52.451 52.037 -0.217 0.000 0.909 431 A CB 0.114 18.855 19.000 -0.432 0.000 1.144 431 A HN 1.155 nan 8.150 nan 0.000 0.540 432 S N 2.036 117.842 115.700 0.177 0.000 4.112 432 S HA -0.346 4.123 4.470 -0.001 0.000 0.602 432 S C 1.059 175.814 174.600 0.258 0.000 1.939 432 S CA 2.027 60.357 58.200 0.216 0.000 4.230 432 S CB -1.080 62.296 63.200 0.293 0.000 0.245 432 S HN 1.421 nan 8.310 nan 0.000 0.530 433 N N 1.879 120.691 118.700 0.188 0.000 2.282 433 N HA 0.426 5.165 4.740 -0.001 0.000 0.240 433 N C 0.178 175.769 175.510 0.136 0.000 1.182 433 N CA 1.695 54.835 53.050 0.150 0.000 0.874 433 N CB 0.528 38.992 38.487 -0.039 0.000 1.126 433 N HN 1.336 nan 8.380 nan 0.000 0.516 434 G N 0.137 108.963 108.800 0.044 0.000 2.760 434 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.246 434 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.246 434 G C -0.622 173.778 174.900 -0.833 0.000 1.359 434 G CA -0.411 44.491 45.100 -0.330 0.000 0.861 434 G HN 0.229 nan 8.290 nan 0.000 0.541 435 L N -0.244 120.466 121.223 -0.855 0.000 2.467 435 L HA 0.264 4.603 4.340 -0.001 0.000 0.270 435 L C 1.647 178.144 176.870 -0.621 0.000 1.205 435 L CA -0.429 53.869 54.840 -0.903 0.000 0.828 435 L CB 0.334 42.067 42.059 -0.542 0.000 1.101 435 L HN 0.638 nan 8.230 nan 0.000 0.479 436 Y N 0.801 120.732 120.300 -0.614 0.000 2.263 436 Y HA -0.025 4.524 4.550 -0.001 0.000 0.292 436 Y C 0.415 175.763 175.900 -0.920 0.000 1.130 436 Y CA 1.191 58.842 58.100 -0.749 0.000 1.179 436 Y CB 0.130 38.056 38.460 -0.891 0.000 0.998 436 Y HN 0.240 nan 8.280 nan 0.000 0.532 437 F N -0.726 119.193 119.950 -0.051 0.000 2.518 437 F HA 0.601 5.127 4.527 -0.001 0.000 0.323 437 F C 0.131 175.828 175.800 -0.172 0.000 1.129 437 F CA -1.990 55.951 58.000 -0.098 0.000 0.920 437 F CB 0.773 39.717 39.000 -0.093 0.000 1.160 437 F HN -0.271 nan 8.300 nan 0.000 0.440 438 A N 4.801 127.629 122.820 0.013 0.000 2.488 438 A HA 0.668 4.987 4.320 -0.001 0.000 0.249 438 A C 0.096 177.608 177.584 -0.120 0.000 1.083 438 A CA -0.247 51.742 52.037 -0.079 0.000 0.768 438 A CB 0.075 19.038 19.000 -0.062 0.000 1.017 438 A HN 0.909 nan 8.150 nan 0.000 0.496 439 R N 0.561 120.921 120.500 -0.233 0.000 2.629 439 R HA 0.735 5.075 4.340 -0.001 0.000 0.266 439 R C -1.116 174.965 176.300 -0.366 0.000 1.051 439 R CA -0.564 55.352 56.100 -0.307 0.000 0.895 439 R CB 1.300 31.389 30.300 -0.352 0.000 1.246 439 R HN 0.533 nan 8.270 nan 0.000 0.459 440 T N 1.083 115.494 114.554 -0.238 0.000 2.906 440 T HA 0.576 4.925 4.350 -0.001 0.000 0.295 440 T C -0.668 173.943 174.700 -0.147 0.000 1.061 440 T CA -0.229 61.737 62.100 -0.222 0.000 1.000 440 T CB 0.560 69.061 68.868 -0.611 0.000 1.103 440 T HN 0.570 nan 8.240 nan 0.000 0.486 441 F N 1.406 121.403 119.950 0.078 0.000 2.840 441 F HA -0.161 4.366 4.527 -0.001 0.000 0.310 441 F C 0.726 176.489 175.800 -0.063 0.000 0.688 441 F CA 0.691 58.655 58.000 -0.060 0.000 1.286 441 F CB -2.923 36.048 39.000 -0.049 0.000 1.612 441 F HN 0.812 nan 8.300 nan 0.000 0.335 442 H N 0.051 119.119 119.070 -0.004 0.000 2.603 442 H HA 0.720 5.276 4.556 -0.001 0.000 0.370 442 H C 0.584 175.891 175.328 -0.035 0.000 1.225 442 H CA 0.333 56.361 56.048 -0.033 0.000 1.410 442 H CB 0.812 30.557 29.762 -0.028 0.000 1.495 442 H HN 0.209 nan 8.280 nan 0.000 0.602 443 T N -1.458 113.077 114.554 -0.031 0.000 2.916 443 T HA 0.638 4.988 4.350 -0.001 0.000 0.292 443 T C -0.475 174.251 174.700 0.043 0.000 1.064 443 T CA -0.701 61.357 62.100 -0.071 0.000 1.011 443 T CB 1.623 70.471 68.868 -0.034 0.000 1.152 443 T HN 0.943 nan 8.240 nan 0.000 0.510 444 S N -0.490 115.255 115.700 0.076 0.000 2.565 444 S HA 0.787 5.257 4.470 -0.001 0.000 0.269 444 S C -0.915 173.802 174.600 0.195 0.000 1.153 444 S CA -0.518 57.792 58.200 0.183 0.000 0.835 444 S CB 1.212 64.638 63.200 0.376 0.000 1.122 444 S HN 1.986 nan 8.310 nan 0.000 0.462 445 V N -1.395 118.670 119.914 0.252 0.000 2.971 445 V HA 0.907 5.027 4.120 -0.001 0.000 0.309 445 V C -0.417 175.810 176.094 0.222 0.000 1.130 445 V CA -0.897 61.535 62.300 0.221 0.000 0.964 445 V CB 1.251 33.200 31.823 0.211 0.000 1.029 445 V HN 1.211 nan 8.190 nan 0.000 0.427 446 V N 5.056 125.082 119.914 0.187 0.000 2.498 446 V HA 0.546 4.665 4.120 -0.001 0.000 0.279 446 V C -0.006 176.159 176.094 0.119 0.000 1.048 446 V CA -0.180 62.225 62.300 0.175 0.000 0.967 446 V CB 0.966 32.910 31.823 0.203 0.000 0.988 446 V HN 0.836 nan 8.190 nan 0.000 0.473 447 L N 7.430 128.712 121.223 0.099 0.000 2.416 447 L HA 0.443 4.782 4.340 -0.001 0.000 0.262 447 L C -1.421 175.384 176.870 -0.108 0.000 1.093 447 L CA -1.820 53.038 54.840 0.029 0.000 0.801 447 L CB 0.949 43.111 42.059 0.172 0.000 1.191 447 L HN 0.401 nan 8.230 nan 0.000 0.459 448 P HA -0.194 nan 4.420 nan 0.000 0.217 448 P C 0.514 177.653 177.300 -0.268 0.000 1.148 448 P CA 1.259 64.069 63.100 -0.483 0.000 0.828 448 P CB 0.016 31.139 31.700 -0.962 0.000 0.783 449 D N -2.418 117.834 120.400 -0.246 0.000 2.349 449 D HA 0.077 4.716 4.640 -0.001 0.000 0.224 449 D C 1.445 177.716 176.300 -0.048 0.000 1.029 449 D CA 0.720 54.633 54.000 -0.144 0.000 0.879 449 D CB -0.840 39.878 40.800 -0.138 0.000 0.906 449 D HN 0.246 nan 8.370 nan 0.000 0.528 450 G N 0.095 108.893 108.800 -0.003 0.000 2.213 450 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.236 450 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.236 450 G C 0.414 175.323 174.900 0.015 0.000 0.991 450 G CA 0.315 45.455 45.100 0.066 0.000 0.629 450 G HN 0.836 nan 8.290 nan 0.000 0.517 451 S N 0.025 115.720 115.700 -0.009 0.000 2.592 451 S HA 0.646 5.115 4.470 -0.001 0.000 0.271 451 S C 0.014 174.643 174.600 0.049 0.000 1.326 451 S CA 0.660 58.839 58.200 -0.034 0.000 1.024 451 S CB 1.866 65.066 63.200 -0.001 0.000 0.921 451 S HN 0.597 nan 8.310 nan 0.000 0.527 452 T N 3.139 117.718 114.554 0.041 0.000 2.770 452 T HA 0.398 4.747 4.350 -0.001 0.000 0.283 452 T C -0.865 173.906 174.700 0.117 0.000 0.988 452 T CA -0.299 61.861 62.100 0.101 0.000 0.957 452 T CB 0.241 69.150 68.868 0.067 0.000 0.930 452 T HN 0.560 nan 8.240 nan 0.000 0.443 453 F N 4.985 124.942 119.950 0.013 0.000 2.420 453 F HA 0.623 5.149 4.527 -0.001 0.000 0.352 453 F C -0.669 175.126 175.800 -0.008 0.000 1.108 453 F CA -1.302 56.680 58.000 -0.029 0.000 1.162 453 F CB 0.251 39.221 39.000 -0.049 0.000 1.118 453 F HN 0.424 nan 8.300 nan 0.000 0.510 454 I N 5.650 125.821 120.570 -0.666 0.000 2.436 454 I HA 0.398 4.568 4.170 -0.001 0.000 0.289 454 I C -0.264 175.458 176.117 -0.657 0.000 1.010 454 I CA -0.470 60.565 61.300 -0.442 0.000 1.098 454 I CB 2.069 39.884 38.000 -0.307 0.000 1.266 454 I HN 0.553 nan 8.210 nan 0.000 0.434 455 T N 3.459 117.782 114.554 -0.386 0.000 2.894 455 T HA 0.727 5.076 4.350 -0.001 0.000 0.309 455 T C -0.106 174.553 174.700 -0.067 0.000 1.208 455 T CA 0.583 62.524 62.100 -0.264 0.000 1.016 455 T CB 1.584 70.326 68.868 -0.209 0.000 1.192 455 T HN 1.164 nan 8.240 nan 0.000 0.491 456 G N 1.462 110.202 108.800 -0.100 0.000 2.593 456 G HA2 0.380 4.340 3.960 -0.001 0.000 0.237 456 G HA3 0.380 4.340 3.960 -0.001 0.000 0.237 456 G C 0.637 175.479 174.900 -0.097 0.000 1.312 456 G CA 0.326 45.350 45.100 -0.126 0.000 0.896 456 G HN 2.490 nan 8.290 nan 0.000 0.574 457 G N -1.845 106.914 108.800 -0.069 0.000 2.757 457 G HA2 0.523 4.482 3.960 -0.001 0.000 0.638 457 G HA3 0.523 4.482 3.960 -0.001 0.000 0.638 457 G C -0.339 174.485 174.900 -0.127 0.000 1.344 457 G CA 0.917 46.002 45.100 -0.024 0.000 0.855 457 G HN 2.456 nan 8.290 nan 0.000 0.537 458 Q N -1.246 118.487 119.800 -0.111 0.000 2.456 458 Q HA 0.708 5.048 4.340 -0.001 0.000 0.283 458 Q C 0.984 176.894 176.000 -0.150 0.000 1.084 458 Q CA -0.876 54.844 55.803 -0.139 0.000 0.801 458 Q CB 1.968 30.661 28.738 -0.074 0.000 1.434 458 Q HN 0.659 nan 8.270 nan 0.000 0.419 459 R N 0.295 120.718 120.500 -0.127 0.000 2.115 459 R HA 0.002 4.342 4.340 -0.001 0.000 0.230 459 R C 0.125 176.361 176.300 -0.107 0.000 1.111 459 R CA 1.095 57.133 56.100 -0.104 0.000 0.976 459 R CB 0.403 30.663 30.300 -0.067 0.000 0.870 459 R HN 0.637 nan 8.270 nan 0.000 0.445 460 R N -0.381 120.060 120.500 -0.098 0.000 2.502 460 R HA 0.226 4.565 4.340 -0.001 0.000 0.300 460 R C -1.175 175.070 176.300 -0.093 0.000 0.984 460 R CA -0.377 55.670 56.100 -0.089 0.000 0.882 460 R CB 1.814 32.087 30.300 -0.046 0.000 1.180 460 R HN 0.186 nan 8.270 nan 0.000 0.444 461 G N 5.559 114.262 108.800 -0.161 0.000 2.367 461 G HA2 0.278 4.238 3.960 -0.001 0.000 0.282 461 G HA3 0.278 4.238 3.960 -0.001 0.000 0.282 461 G C -0.088 174.869 174.900 0.096 0.000 1.140 461 G CA -0.160 44.853 45.100 -0.146 0.000 1.088 461 G HN 0.577 nan 8.290 nan 0.000 0.431 462 I N 4.451 125.131 120.570 0.183 0.000 2.563 462 I HA 0.181 4.350 4.170 -0.001 0.000 0.276 462 I C -2.375 173.777 176.117 0.058 0.000 1.074 462 I CA -1.936 59.432 61.300 0.114 0.000 1.124 462 I CB 2.475 40.519 38.000 0.072 0.000 1.225 462 I HN 0.238 nan 8.210 nan 0.000 0.482 463 P HA 0.008 nan 4.420 nan 0.000 0.261 463 P C -0.098 177.043 177.300 -0.266 0.000 1.173 463 P CA 0.626 63.321 63.100 -0.675 0.000 0.760 463 P CB 0.059 31.157 31.700 -1.003 0.000 0.783 464 F N -0.834 119.102 119.950 -0.022 0.000 2.748 464 F HA -0.227 4.300 4.527 -0.001 0.000 0.370 464 F C 0.704 176.523 175.800 0.032 0.000 0.620 464 F CA 0.980 59.010 58.000 0.050 0.000 1.233 464 F CB -1.802 37.252 39.000 0.090 0.000 1.708 464 F HN 0.334 nan 8.300 nan 0.000 0.298 465 E N 0.928 121.208 120.200 0.134 0.000 2.183 465 E HA 0.324 4.673 4.350 -0.001 0.000 0.271 465 E C -0.190 176.446 176.600 0.061 0.000 0.919 465 E CA -0.514 55.944 56.400 0.096 0.000 0.781 465 E CB 0.910 30.659 29.700 0.081 0.000 1.140 465 E HN 0.042 nan 8.360 nan 0.000 0.402 466 D N 2.574 123.005 120.400 0.051 0.000 2.538 466 D HA 0.053 4.692 4.640 -0.001 0.000 0.234 466 D C -0.271 176.022 176.300 -0.012 0.000 1.191 466 D CA 0.149 54.163 54.000 0.023 0.000 0.828 466 D CB 0.027 40.862 40.800 0.059 0.000 0.981 466 D HN 0.303 nan 8.370 nan 0.000 0.490 467 S N -0.620 115.077 115.700 -0.005 0.000 2.617 467 S HA 0.256 4.726 4.470 -0.001 0.000 0.269 467 S C 0.902 175.469 174.600 -0.055 0.000 1.292 467 S CA -0.239 57.950 58.200 -0.018 0.000 1.010 467 S CB 1.091 64.291 63.200 0.001 0.000 0.944 467 S HN 0.303 nan 8.310 nan 0.000 0.536 468 T N -2.214 112.304 114.554 -0.061 0.000 3.708 468 T HA -0.127 4.223 4.350 -0.001 0.000 0.375 468 T C -1.800 172.797 174.700 -0.173 0.000 0.763 468 T CA 0.409 62.456 62.100 -0.090 0.000 1.915 468 T CB -2.454 66.374 68.868 -0.067 0.000 1.783 468 T HN 0.687 nan 8.240 nan 0.000 0.734 469 P HA 0.483 nan 4.420 nan 0.000 0.271 469 P C -0.132 176.793 177.300 -0.625 0.000 1.218 469 P CA -0.465 62.335 63.100 -0.501 0.000 0.780 469 P CB 1.261 32.514 31.700 -0.745 0.000 0.901 470 V N 3.992 123.536 119.914 -0.616 0.000 2.328 470 V HA 0.166 4.285 4.120 -0.001 0.000 0.278 470 V C 0.756 176.489 176.094 -0.601 0.000 1.021 470 V CA -0.022 61.941 62.300 -0.560 0.000 0.838 470 V CB 0.192 31.784 31.823 -0.384 0.000 0.999 470 V HN 0.415 nan 8.190 nan 0.000 0.447 471 F N 1.309 121.052 119.950 -0.345 0.000 2.754 471 F HA 0.123 4.649 4.527 -0.001 0.000 0.297 471 F C 1.463 177.108 175.800 -0.258 0.000 1.122 471 F CA 0.204 58.026 58.000 -0.297 0.000 1.400 471 F CB 0.194 39.037 39.000 -0.262 0.000 1.117 471 F HN 0.359 nan 8.300 nan 0.000 0.587 472 T N 3.285 117.738 114.554 -0.169 0.000 2.733 472 T HA 0.312 4.661 4.350 -0.001 0.000 0.294 472 T C -2.428 172.266 174.700 -0.010 0.000 0.956 472 T CA -1.461 60.599 62.100 -0.068 0.000 0.987 472 T CB 1.351 70.163 68.868 -0.093 0.000 0.920 472 T HN -0.240 nan 8.240 nan 0.000 0.470 473 P HA 0.427 nan 4.420 nan 0.000 0.276 473 P C -0.426 176.840 177.300 -0.057 0.000 1.252 473 P CA -0.670 62.365 63.100 -0.109 0.000 0.802 473 P CB 0.920 32.508 31.700 -0.188 0.000 1.035 474 E N 0.293 120.404 120.200 -0.149 0.000 2.317 474 E HA 0.584 4.933 4.350 -0.001 0.000 0.270 474 E C -0.813 175.802 176.600 0.025 0.000 0.885 474 E CA -0.645 55.773 56.400 0.030 0.000 0.760 474 E CB 1.961 31.726 29.700 0.109 0.000 1.227 474 E HN 0.290 nan 8.360 nan 0.000 0.434 475 I N 2.391 123.078 120.570 0.195 0.000 2.466 475 I HA 0.234 4.403 4.170 -0.001 0.000 0.289 475 I C -1.277 174.943 176.117 0.172 0.000 1.026 475 I CA -0.967 60.443 61.300 0.183 0.000 1.078 475 I CB 1.241 39.366 38.000 0.208 0.000 1.249 475 I HN 0.524 nan 8.210 nan 0.000 0.429 476 Y N 7.114 127.311 120.300 -0.173 0.000 2.326 476 Y HA 0.486 5.036 4.550 -0.001 0.000 0.337 476 Y C -0.670 175.034 175.900 -0.327 0.000 1.023 476 Y CA -0.544 57.232 58.100 -0.541 0.000 1.143 476 Y CB 1.209 39.127 38.460 -0.903 0.000 1.183 476 Y HN 0.219 nan 8.280 nan 0.000 0.485 477 V N 10.273 129.680 119.914 -0.845 0.000 2.313 477 V HA 0.218 4.337 4.120 -0.001 0.000 0.278 477 V C -1.581 173.936 176.094 -0.961 0.000 1.017 477 V CA -1.511 60.431 62.300 -0.596 0.000 0.823 477 V CB 1.254 32.979 31.823 -0.163 0.000 1.010 477 V HN 0.759 nan 8.190 nan 0.000 0.443 478 P HA -0.167 nan 4.420 nan 0.000 0.216 478 P C 1.070 178.210 177.300 -0.267 0.000 1.153 478 P CA 1.281 64.045 63.100 -0.559 0.000 0.858 478 P CB 0.638 32.148 31.700 -0.316 0.000 0.789 479 E N -0.046 120.041 120.200 -0.189 0.000 2.204 479 E HA -0.157 4.192 4.350 -0.001 0.000 0.195 479 E C 2.084 178.626 176.600 -0.095 0.000 0.990 479 E CA 1.236 57.579 56.400 -0.094 0.000 0.821 479 E CB -0.617 29.042 29.700 -0.067 0.000 0.750 479 E HN 0.505 nan 8.360 nan 0.000 0.477 480 Q N -0.247 119.463 119.800 -0.151 0.000 2.281 480 Q HA 0.056 4.395 4.340 -0.001 0.000 0.215 480 Q C -0.278 175.627 176.000 -0.158 0.000 0.867 480 Q CA 0.251 55.989 55.803 -0.108 0.000 0.940 480 Q CB 0.609 29.327 28.738 -0.033 0.000 1.111 480 Q HN 0.091 nan 8.270 nan 0.000 0.513 481 D N 1.262 121.497 120.400 -0.276 0.000 2.697 481 D HA -0.139 4.500 4.640 -0.001 0.000 0.235 481 D C -1.274 174.909 176.300 -0.195 0.000 1.167 481 D CA 1.033 54.907 54.000 -0.210 0.000 0.656 481 D CB -0.800 40.000 40.800 -0.000 0.000 1.025 481 D HN 0.119 nan 8.370 nan 0.000 0.419 482 T N 0.641 114.935 114.554 -0.434 0.000 2.912 482 T HA 0.568 4.918 4.350 -0.001 0.000 0.299 482 T C -0.294 174.113 174.700 -0.488 0.000 1.052 482 T CA -0.606 61.272 62.100 -0.370 0.000 0.996 482 T CB 0.821 69.432 68.868 -0.429 0.000 1.070 482 T HN 0.033 nan 8.240 nan 0.000 0.465 483 F N 1.741 121.546 119.950 -0.242 0.000 2.422 483 F HA 0.631 5.157 4.527 -0.001 0.000 0.333 483 F C -0.492 175.226 175.800 -0.136 0.000 1.095 483 F CA -0.566 57.400 58.000 -0.056 0.000 1.038 483 F CB 1.132 40.141 39.000 0.015 0.000 1.156 483 F HN 0.483 nan 8.300 nan 0.000 0.483 484 Y N 1.526 122.032 120.300 0.344 0.000 2.373 484 Y HA 0.354 4.903 4.550 -0.001 0.000 0.336 484 Y C -0.278 175.664 175.900 0.071 0.000 0.979 484 Y CA -1.316 56.895 58.100 0.186 0.000 1.080 484 Y CB 1.638 40.148 38.460 0.084 0.000 1.190 484 Y HN 0.376 nan 8.280 nan 0.000 0.446 485 K N 3.325 123.720 120.400 -0.009 0.000 2.326 485 K HA 0.241 4.560 4.320 -0.001 0.000 0.275 485 K C -0.258 176.392 176.600 0.083 0.000 1.018 485 K CA -0.561 55.684 56.287 -0.070 0.000 0.962 485 K CB 0.648 32.981 32.500 -0.280 0.000 0.953 485 K HN 0.558 nan 8.250 nan 0.000 0.475 486 Q N 1.110 120.988 119.800 0.130 0.000 2.385 486 Q HA 0.256 4.595 4.340 -0.001 0.000 0.262 486 Q C -0.243 175.896 176.000 0.232 0.000 1.050 486 Q CA -0.901 55.026 55.803 0.206 0.000 0.903 486 Q CB 0.611 29.509 28.738 0.268 0.000 1.325 486 Q HN 0.466 nan 8.270 nan 0.000 0.485 487 N N 2.744 121.632 118.700 0.312 0.000 2.483 487 N HA 0.147 4.886 4.740 -0.001 0.000 0.264 487 N C -2.182 173.607 175.510 0.465 0.000 1.197 487 N CA -0.621 52.618 53.050 0.315 0.000 0.927 487 N CB 0.238 38.900 38.487 0.292 0.000 1.065 487 N HN 0.257 nan 8.380 nan 0.000 0.461 488 P HA 0.071 nan 4.420 nan 0.000 0.274 488 P C -0.447 176.844 177.300 -0.014 0.000 1.237 488 P CA -0.395 62.798 63.100 0.154 0.000 0.793 488 P CB 0.973 32.691 31.700 0.031 0.000 0.977 489 N N -0.138 118.359 118.700 -0.338 0.000 2.671 489 N HA 0.209 4.948 4.740 -0.001 0.000 0.303 489 N C 0.070 175.350 175.510 -0.382 0.000 1.277 489 N CA -0.689 51.973 53.050 -0.646 0.000 0.933 489 N CB 0.544 38.147 38.487 -1.474 0.000 1.190 489 N HN 0.239 nan 8.380 nan 0.000 0.600 490 S N -1.099 114.390 115.700 -0.351 0.000 2.603 490 S HA 0.392 4.861 4.470 -0.001 0.000 0.232 490 S C 0.359 174.859 174.600 -0.166 0.000 1.016 490 S CA -0.401 57.570 58.200 -0.381 0.000 0.976 490 S CB 0.085 63.124 63.200 -0.268 0.000 0.921 490 S HN 0.478 nan 8.310 nan 0.000 0.516 491 I N 2.273 122.790 120.570 -0.088 0.000 2.339 491 I HA 0.318 4.487 4.170 -0.001 0.000 0.290 491 I C -0.395 175.660 176.117 -0.103 0.000 0.994 491 I CA -0.847 60.404 61.300 -0.082 0.000 1.191 491 I CB 1.696 39.583 38.000 -0.188 0.000 1.343 491 I HN -0.164 nan 8.210 nan 0.000 0.458 492 V N 7.285 127.123 119.914 -0.127 0.000 2.529 492 V HA 0.116 4.236 4.120 -0.001 0.000 0.292 492 V C 0.449 176.272 176.094 -0.452 0.000 1.028 492 V CA -0.112 61.999 62.300 -0.314 0.000 1.074 492 V CB 0.072 31.772 31.823 -0.205 0.000 0.958 492 V HN 0.599 nan 8.190 nan 0.000 0.481 493 R N 4.605 124.901 120.500 -0.340 0.000 2.443 493 R HA 0.428 4.767 4.340 -0.001 0.000 0.287 493 R C -0.206 175.998 176.300 -0.160 0.000 1.425 493 R CA -0.181 55.764 56.100 -0.258 0.000 1.300 493 R CB 1.117 31.293 30.300 -0.207 0.000 1.129 493 R HN 0.664 nan 8.270 nan 0.000 0.577 494 V N -0.935 118.908 119.914 -0.119 0.000 6.636 494 V HA 0.452 4.572 4.120 -0.001 0.000 0.271 494 V C 0.319 176.358 176.094 -0.091 0.000 1.655 494 V CA -0.826 61.466 62.300 -0.014 0.000 0.583 494 V CB -0.327 31.517 31.823 0.035 0.000 1.526 494 V HN 0.381 nan 8.190 nan 0.000 0.370 495 Y N 2.069 122.094 120.300 -0.459 0.000 2.805 495 Y HA 0.152 4.701 4.550 -0.001 0.000 0.331 495 Y C 1.001 176.513 175.900 -0.647 0.000 1.241 495 Y CA 1.353 58.870 58.100 -0.971 0.000 1.546 495 Y CB -1.370 36.253 38.460 -1.395 0.000 1.248 495 Y HN 0.799 nan 8.280 nan 0.000 0.559 496 H N 1.112 119.555 119.070 -1.045 0.000 3.071 496 H HA -0.159 4.396 4.556 -0.001 0.000 0.243 496 H C 0.144 175.181 175.328 -0.484 0.000 1.221 496 H CA 0.152 55.686 56.048 -0.857 0.000 1.109 496 H CB -1.430 27.957 29.762 -0.626 0.000 1.236 496 H HN 0.555 nan 8.280 nan 0.000 0.332 497 S N 0.659 116.188 115.700 -0.286 0.000 2.654 497 S HA 0.724 5.193 4.470 -0.001 0.000 0.283 497 S C 0.200 174.690 174.600 -0.182 0.000 1.180 497 S CA -0.402 57.685 58.200 -0.189 0.000 1.021 497 S CB 2.477 65.589 63.200 -0.147 0.000 1.018 497 S HN 0.419 nan 8.310 nan 0.000 0.532 498 I N -2.279 118.226 120.570 -0.108 0.000 3.074 498 I HA 0.890 5.060 4.170 -0.001 0.000 0.310 498 I C -0.785 175.355 176.117 0.039 0.000 1.153 498 I CA -0.789 60.473 61.300 -0.063 0.000 0.993 498 I CB 2.065 40.025 38.000 -0.066 0.000 1.237 498 I HN 0.563 nan 8.210 nan 0.000 0.443 499 S N 3.103 118.850 115.700 0.079 0.000 2.546 499 S HA 0.847 5.316 4.470 -0.001 0.000 0.272 499 S C -1.071 173.635 174.600 0.176 0.000 1.140 499 S CA -0.563 57.742 58.200 0.174 0.000 0.920 499 S CB 1.404 64.725 63.200 0.201 0.000 1.083 499 S HN 0.610 nan 8.310 nan 0.000 0.476 500 L N 2.346 123.713 121.223 0.241 0.000 2.434 500 L HA 0.577 4.916 4.340 -0.001 0.000 0.260 500 L C -1.273 175.724 176.870 0.211 0.000 0.983 500 L CA -0.965 53.992 54.840 0.195 0.000 0.820 500 L CB 1.835 43.991 42.059 0.162 0.000 1.361 500 L HN 0.501 nan 8.230 nan 0.000 0.410 501 L N 2.935 124.257 121.223 0.165 0.000 2.319 501 L HA 0.431 4.770 4.340 -0.001 0.000 0.280 501 L C -0.581 176.393 176.870 0.172 0.000 1.099 501 L CA 0.350 55.282 54.840 0.153 0.000 0.828 501 L CB 0.639 42.769 42.059 0.119 0.000 1.150 501 L HN 0.381 nan 8.230 nan 0.000 0.442 502 L N 7.070 128.411 121.223 0.197 0.000 2.439 502 L HA 0.327 4.666 4.340 -0.001 0.000 0.261 502 L C -1.282 175.720 176.870 0.220 0.000 1.153 502 L CA -1.559 53.407 54.840 0.210 0.000 0.808 502 L CB 0.509 42.717 42.059 0.248 0.000 1.126 502 L HN 0.519 nan 8.230 nan 0.000 0.460 503 P HA -0.159 nan 4.420 nan 0.000 0.221 503 P C 0.500 177.917 177.300 0.194 0.000 1.145 503 P CA 0.966 64.151 63.100 0.142 0.000 0.795 503 P CB 0.041 31.799 31.700 0.097 0.000 0.775 504 D N -1.855 118.661 120.400 0.192 0.000 2.340 504 D HA 0.065 4.705 4.640 -0.001 0.000 0.220 504 D C 1.401 177.836 176.300 0.225 0.000 1.039 504 D CA 0.554 54.664 54.000 0.183 0.000 0.866 504 D CB -0.849 40.013 40.800 0.104 0.000 0.913 504 D HN 0.194 nan 8.370 nan 0.000 0.523 505 G N 0.260 109.224 108.800 0.273 0.000 2.176 505 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.253 505 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.253 505 G C 0.407 175.364 174.900 0.096 0.000 0.979 505 G CA 0.054 45.219 45.100 0.108 0.000 0.641 505 G HN 0.479 nan 8.290 nan 0.000 0.530 506 R N -0.691 119.855 120.500 0.077 0.000 2.553 506 R HA 0.656 4.995 4.340 -0.001 0.000 0.263 506 R C -0.100 176.223 176.300 0.038 0.000 1.066 506 R CA -0.511 55.585 56.100 -0.006 0.000 1.135 506 R CB 1.375 31.678 30.300 0.006 0.000 1.148 506 R HN 0.087 nan 8.270 nan 0.000 0.558 507 V N 1.739 121.636 119.914 -0.028 0.000 2.459 507 V HA 0.284 4.403 4.120 -0.001 0.000 0.295 507 V C -0.819 175.374 176.094 0.165 0.000 1.029 507 V CA -0.611 61.709 62.300 0.035 0.000 0.874 507 V CB 1.356 33.062 31.823 -0.195 0.000 0.985 507 V HN 0.503 nan 8.190 nan 0.000 0.438 508 F N 5.300 125.309 119.950 0.099 0.000 2.361 508 F HA 0.460 4.986 4.527 -0.001 0.000 0.364 508 F C 0.227 176.105 175.800 0.130 0.000 1.120 508 F CA -0.091 57.971 58.000 0.103 0.000 1.102 508 F CB 0.576 39.649 39.000 0.121 0.000 1.183 508 F HN 0.585 nan 8.300 nan 0.000 0.476 509 N N 4.563 123.215 118.700 -0.081 0.000 2.399 509 N HA 0.684 5.423 4.740 -0.001 0.000 0.280 509 N C -0.752 174.640 175.510 -0.196 0.000 1.008 509 N CA -0.271 52.798 53.050 0.032 0.000 0.894 509 N CB 1.650 40.334 38.487 0.328 0.000 1.273 509 N HN 0.857 nan 8.380 nan 0.000 0.486 510 G N 0.982 109.695 108.800 -0.144 0.000 2.619 510 G HA2 0.682 4.642 3.960 -0.001 0.000 0.305 510 G HA3 0.682 4.642 3.960 -0.001 0.000 0.305 510 G C -0.219 174.620 174.900 -0.102 0.000 1.330 510 G CA -0.017 44.980 45.100 -0.171 0.000 0.789 510 G HN 0.894 nan 8.290 nan 0.000 0.487 511 G N -1.644 107.107 108.800 -0.082 0.000 2.632 511 G HA2 0.534 4.493 3.960 -0.001 0.000 0.224 511 G HA3 0.534 4.493 3.960 -0.001 0.000 0.224 511 G C 0.808 175.666 174.900 -0.070 0.000 1.341 511 G CA 1.073 46.127 45.100 -0.077 0.000 0.880 511 G HN 3.015 nan 8.290 nan 0.000 0.566 512 G N -2.154 106.610 108.800 -0.060 0.000 3.233 512 G HA2 0.574 4.533 3.960 -0.001 0.000 0.686 512 G HA3 0.574 4.533 3.960 -0.001 0.000 0.686 512 G C 0.923 175.875 174.900 0.086 0.000 1.153 512 G CA 0.613 45.709 45.100 -0.006 0.000 0.853 512 G HN 3.189 nan 8.290 nan 0.000 0.582 513 G N 0.759 109.633 108.800 0.124 0.000 2.964 513 G HA2 0.355 4.315 3.960 -0.001 0.000 0.229 513 G HA3 0.355 4.315 3.960 -0.001 0.000 0.229 513 G C 0.510 175.688 174.900 0.465 0.000 1.395 513 G CA 0.792 46.037 45.100 0.242 0.000 1.060 513 G HN 2.610 nan 8.290 nan 0.000 0.568 514 L N -0.785 120.548 121.223 0.184 0.000 3.472 514 L HA -0.164 4.176 4.340 -0.001 0.000 0.485 514 L C 1.048 178.062 176.870 0.240 0.000 1.312 514 L CA 1.587 56.523 54.840 0.160 0.000 0.869 514 L CB -1.434 40.710 42.059 0.142 0.000 1.687 514 L HN 1.936 nan 8.230 nan 0.000 0.853 515 C N -1.262 118.052 119.300 0.023 0.000 2.859 515 C HA 0.811 5.270 4.460 -0.001 0.000 0.256 515 C C 2.017 176.873 174.990 -0.222 0.000 1.660 515 C CA -0.302 58.578 59.018 -0.230 0.000 1.755 515 C CB -0.680 26.842 27.740 -0.363 0.000 3.127 515 C HN 1.658 nan 8.230 nan 0.000 0.494 516 G N 2.492 111.189 108.800 -0.173 0.000 2.686 516 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.329 516 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.329 516 G C 0.554 175.398 174.900 -0.093 0.000 1.187 516 G CA 1.165 46.178 45.100 -0.146 0.000 0.965 516 G HN 0.442 nan 8.290 nan 0.000 0.549 517 D N 1.738 122.079 120.400 -0.098 0.000 2.378 517 D HA 0.066 4.706 4.640 -0.001 0.000 0.227 517 D C 1.834 178.098 176.300 -0.060 0.000 1.012 517 D CA 1.067 55.026 54.000 -0.067 0.000 0.905 517 D CB -0.876 39.884 40.800 -0.066 0.000 0.895 517 D HN 0.854 nan 8.370 nan 0.000 0.532 518 C N 0.710 119.966 119.300 -0.074 0.000 2.700 518 C HA 0.299 4.758 4.460 -0.001 0.000 0.397 518 C C 2.100 177.056 174.990 -0.057 0.000 1.301 518 C CA -0.255 58.727 59.018 -0.059 0.000 2.219 518 C CB 0.293 28.000 27.740 -0.054 0.000 2.699 518 C HN 0.301 nan 8.230 nan 0.000 0.669 519 T N -2.674 111.842 114.554 -0.063 0.000 3.086 519 T HA 0.056 4.405 4.350 -0.001 0.000 0.250 519 T C 0.963 175.562 174.700 -0.167 0.000 1.074 519 T CA 0.705 62.744 62.100 -0.101 0.000 0.988 519 T CB -0.813 68.001 68.868 -0.090 0.000 0.988 519 T HN 1.009 nan 8.240 nan 0.000 0.530 520 T N -0.358 114.118 114.554 -0.131 0.000 3.188 520 T HA 0.215 4.564 4.350 -0.001 0.000 0.250 520 T C 0.375 174.897 174.700 -0.298 0.000 1.077 520 T CA -0.694 61.306 62.100 -0.166 0.000 0.967 520 T CB -0.410 68.468 68.868 0.016 0.000 1.006 520 T HN 0.156 nan 8.240 nan 0.000 0.552 521 N N 2.673 121.171 118.700 -0.336 0.000 2.497 521 N HA 0.177 4.916 4.740 -0.001 0.000 0.271 521 N C -1.033 174.087 175.510 -0.650 0.000 1.142 521 N CA -0.028 52.751 53.050 -0.453 0.000 0.965 521 N CB 0.556 38.729 38.487 -0.523 0.000 1.077 521 N HN 0.505 nan 8.380 nan 0.000 0.462 522 H N 1.441 120.302 119.070 -0.349 0.000 2.725 522 H HA 0.253 4.809 4.556 -0.001 0.000 0.283 522 H C -0.349 174.848 175.328 -0.219 0.000 1.110 522 H CA -0.441 55.490 56.048 -0.195 0.000 1.289 522 H CB 0.040 29.727 29.762 -0.125 0.000 1.400 522 H HN 0.460 nan 8.280 nan 0.000 0.493 523 F N 3.063 123.073 119.950 0.099 0.000 2.833 523 F HA 0.150 4.676 4.527 -0.001 0.000 0.327 523 F C 0.037 175.926 175.800 0.149 0.000 1.184 523 F CA -0.377 57.696 58.000 0.122 0.000 1.328 523 F CB -0.446 38.643 39.000 0.149 0.000 1.440 523 F HN 0.569 nan 8.300 nan 0.000 0.569 524 D N -0.418 120.105 120.400 0.205 0.000 2.779 524 D HA 0.767 5.407 4.640 -0.001 0.000 0.331 524 D C -1.264 175.010 176.300 -0.044 0.000 1.331 524 D CA -1.029 53.038 54.000 0.111 0.000 0.866 524 D CB 1.191 42.076 40.800 0.142 0.000 1.409 524 D HN 0.050 nan 8.370 nan 0.000 0.486 525 A N -0.837 121.876 122.820 -0.178 0.000 2.612 525 A HA 0.702 5.021 4.320 -0.001 0.000 0.293 525 A C -1.625 175.737 177.584 -0.370 0.000 1.075 525 A CA -0.778 51.003 52.037 -0.427 0.000 0.680 525 A CB 1.731 20.138 19.000 -0.988 0.000 1.279 525 A HN 0.464 nan 8.150 nan 0.000 0.411 526 Q N 0.400 120.020 119.800 -0.300 0.000 2.413 526 Q HA 0.582 4.921 4.340 -0.001 0.000 0.276 526 Q C -1.225 174.786 176.000 0.018 0.000 1.099 526 Q CA -0.959 54.822 55.803 -0.037 0.000 0.814 526 Q CB 2.370 31.232 28.738 0.206 0.000 1.379 526 Q HN 0.612 nan 8.270 nan 0.000 0.436 527 I N 1.817 122.443 120.570 0.092 0.000 2.359 527 I HA 0.325 4.494 4.170 -0.001 0.000 0.294 527 I C -0.646 175.487 176.117 0.027 0.000 0.987 527 I CA -0.385 60.952 61.300 0.061 0.000 1.225 527 I CB 0.477 38.510 38.000 0.054 0.000 1.366 527 I HN 0.547 nan 8.210 nan 0.000 0.466 528 F N 5.356 125.073 119.950 -0.388 0.000 2.427 528 F HA 0.468 4.994 4.527 -0.001 0.000 0.346 528 F C 0.021 175.490 175.800 -0.550 0.000 1.120 528 F CA -0.222 57.285 58.000 -0.823 0.000 1.033 528 F CB 1.401 39.505 39.000 -1.492 0.000 1.126 528 F HN 0.355 nan 8.300 nan 0.000 0.462 529 T N 8.090 121.963 114.554 -1.134 0.000 2.770 529 T HA 0.355 4.704 4.350 -0.001 0.000 0.297 529 T C -2.590 171.422 174.700 -1.147 0.000 0.997 529 T CA -1.292 60.316 62.100 -0.820 0.000 0.949 529 T CB 1.135 69.740 68.868 -0.439 0.000 0.941 529 T HN 0.322 nan 8.240 nan 0.000 0.457 530 P HA 0.172 nan 4.420 nan 0.000 0.272 530 P C 0.860 177.795 177.300 -0.608 0.000 1.230 530 P CA -0.369 62.204 63.100 -0.879 0.000 0.788 530 P CB 0.617 31.540 31.700 -1.294 0.000 0.949 531 N N 1.271 119.763 118.700 -0.346 0.000 2.272 531 N HA -0.231 4.508 4.740 -0.001 0.000 0.185 531 N C 1.397 176.894 175.510 -0.021 0.000 1.014 531 N CA 1.368 54.373 53.050 -0.076 0.000 0.870 531 N CB -0.701 37.743 38.487 -0.072 0.000 0.975 531 N HN 0.472 nan 8.380 nan 0.000 0.433 532 Y N -1.012 119.256 120.300 -0.053 0.000 2.569 532 Y HA 0.087 4.636 4.550 -0.001 0.000 0.293 532 Y C 1.374 177.205 175.900 -0.114 0.000 1.144 532 Y CA 0.435 58.486 58.100 -0.082 0.000 1.321 532 Y CB -0.829 37.568 38.460 -0.105 0.000 0.982 532 Y HN 0.077 nan 8.280 nan 0.000 0.558 533 L N -1.026 120.218 121.223 0.035 0.000 2.592 533 L HA 0.146 4.486 4.340 -0.001 0.000 0.227 533 L C -0.495 176.168 176.870 -0.345 0.000 1.127 533 L CA -0.069 54.676 54.840 -0.158 0.000 0.884 533 L CB -0.132 41.736 42.059 -0.318 0.000 1.065 533 L HN 0.110 nan 8.230 nan 0.000 0.457 534 Y N 0.095 120.362 120.300 -0.055 0.000 2.446 534 Y HA 0.270 4.820 4.550 -0.001 0.000 0.338 534 Y C 0.447 176.326 175.900 -0.036 0.000 1.055 534 Y CA -1.548 56.517 58.100 -0.058 0.000 1.101 534 Y CB 1.017 39.423 38.460 -0.090 0.000 1.221 534 Y HN 0.049 nan 8.280 nan 0.000 0.460 535 N N -1.374 117.416 118.700 0.149 0.000 2.448 535 N HA 0.224 4.963 4.740 -0.001 0.000 0.274 535 N C 0.439 175.987 175.510 0.064 0.000 1.239 535 N CA -0.470 52.626 53.050 0.077 0.000 0.982 535 N CB 0.445 38.961 38.487 0.048 0.000 1.199 535 N HN 0.418 nan 8.380 nan 0.000 0.576 536 S N -0.947 114.772 115.700 0.031 0.000 2.419 536 S HA -0.118 4.351 4.470 -0.001 0.000 0.235 536 S C 0.946 175.550 174.600 0.007 0.000 1.019 536 S CA 0.912 59.119 58.200 0.012 0.000 0.982 536 S CB -0.862 62.342 63.200 0.006 0.000 0.789 536 S HN 0.607 nan 8.310 nan 0.000 0.490 537 N N 0.396 119.107 118.700 0.018 0.000 2.521 537 N HA 0.125 4.865 4.740 -0.001 0.000 0.188 537 N C 1.226 176.742 175.510 0.010 0.000 1.146 537 N CA 0.341 53.399 53.050 0.013 0.000 0.893 537 N CB 0.144 38.643 38.487 0.019 0.000 0.975 537 N HN 0.501 nan 8.380 nan 0.000 0.451 538 G N 0.586 109.394 108.800 0.012 0.000 2.176 538 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.253 538 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.253 538 G C -0.110 174.837 174.900 0.078 0.000 0.979 538 G CA -0.298 44.785 45.100 -0.028 0.000 0.641 538 G HN 0.273 nan 8.290 nan 0.000 0.530 539 N N -0.083 118.697 118.700 0.133 0.000 2.476 539 N HA 0.520 5.259 4.740 -0.001 0.000 0.275 539 N C 0.551 176.191 175.510 0.217 0.000 1.190 539 N CA -0.539 52.608 53.050 0.162 0.000 0.977 539 N CB 0.910 39.445 38.487 0.079 0.000 1.200 539 N HN 0.198 nan 8.380 nan 0.000 0.515 540 L N 1.443 122.729 121.223 0.104 0.000 2.462 540 L HA 0.141 4.481 4.340 -0.001 0.000 0.272 540 L C 0.975 177.819 176.870 -0.044 0.000 1.166 540 L CA -0.332 54.457 54.840 -0.085 0.000 0.880 540 L CB 0.296 42.273 42.059 -0.136 0.000 1.142 540 L HN 0.514 nan 8.230 nan 0.000 0.473 541 A N 3.251 126.031 122.820 -0.067 0.000 2.386 541 A HA 0.364 4.684 4.320 -0.001 0.000 0.248 541 A C 0.321 177.885 177.584 -0.033 0.000 1.082 541 A CA -0.360 51.660 52.037 -0.027 0.000 0.789 541 A CB 0.210 19.201 19.000 -0.015 0.000 1.025 541 A HN 0.682 nan 8.150 nan 0.000 0.490 542 T N 2.548 117.093 114.554 -0.015 0.000 2.870 542 T HA 0.294 4.644 4.350 -0.001 0.000 0.300 542 T C 0.335 175.026 174.700 -0.015 0.000 0.989 542 T CA 0.347 62.439 62.100 -0.013 0.000 1.139 542 T CB -0.001 68.865 68.868 -0.004 0.000 0.920 542 T HN 0.581 nan 8.240 nan 0.000 0.537 543 R N 3.929 124.420 120.500 -0.015 0.000 2.474 543 R HA 0.399 4.738 4.340 -0.001 0.000 0.295 543 R C -2.309 173.987 176.300 -0.006 0.000 0.980 543 R CA -1.985 54.107 56.100 -0.012 0.000 0.934 543 R CB 0.692 30.986 30.300 -0.009 0.000 1.101 543 R HN 0.443 nan 8.270 nan 0.000 0.469 544 P HA 0.097 nan 4.420 nan 0.000 0.275 544 P C -1.121 176.180 177.300 0.002 0.000 1.228 544 P CA -0.163 62.935 63.100 -0.005 0.000 0.786 544 P CB 0.931 32.620 31.700 -0.019 0.000 0.927 545 K N 2.061 122.466 120.400 0.009 0.000 2.259 545 K HA 0.527 4.846 4.320 -0.001 0.000 0.252 545 K C -0.148 176.464 176.600 0.019 0.000 0.936 545 K CA -0.869 55.424 56.287 0.011 0.000 0.810 545 K CB 1.751 34.258 32.500 0.011 0.000 1.143 545 K HN 0.407 nan 8.250 nan 0.000 0.427 546 I N 2.960 123.540 120.570 0.016 0.000 2.301 546 I HA -0.005 4.164 4.170 -0.001 0.000 0.292 546 I C 1.493 177.627 176.117 0.027 0.000 1.046 546 I CA -0.116 61.201 61.300 0.029 0.000 1.282 546 I CB 1.061 39.075 38.000 0.023 0.000 1.409 546 I HN 0.822 nan 8.210 nan 0.000 0.484 547 T N 3.086 117.661 114.554 0.036 0.000 3.043 547 T HA 0.097 4.446 4.350 -0.001 0.000 0.263 547 T C 0.814 175.529 174.700 0.025 0.000 1.094 547 T CA 0.223 62.340 62.100 0.027 0.000 1.127 547 T CB 0.267 69.152 68.868 0.029 0.000 0.905 547 T HN 0.597 nan 8.240 nan 0.000 0.490 548 R N 0.628 121.147 120.500 0.032 0.000 2.664 548 R HA 0.417 4.756 4.340 -0.001 0.000 0.260 548 R C -1.871 174.447 176.300 0.030 0.000 1.062 548 R CA -0.329 55.785 56.100 0.025 0.000 0.902 548 R CB 1.673 31.983 30.300 0.018 0.000 1.258 548 R HN 0.319 nan 8.270 nan 0.000 0.465 549 T N -0.506 114.060 114.554 0.020 0.000 2.886 549 T HA 0.216 4.565 4.350 -0.001 0.000 0.292 549 T C 1.033 175.728 174.700 -0.008 0.000 1.012 549 T CA -0.234 61.874 62.100 0.014 0.000 0.982 549 T CB 1.772 70.657 68.868 0.028 0.000 1.018 549 T HN 0.602 nan 8.240 nan 0.000 0.451 550 S N 1.932 117.612 115.700 -0.033 0.000 2.382 550 S HA 0.075 4.544 4.470 -0.001 0.000 0.228 550 S C 0.963 175.541 174.600 -0.037 0.000 1.027 550 S CA 1.089 59.263 58.200 -0.043 0.000 0.991 550 S CB -0.450 62.708 63.200 -0.071 0.000 0.823 550 S HN 1.150 nan 8.310 nan 0.000 0.469 551 T N -0.984 113.548 114.554 -0.036 0.000 2.840 551 T HA 0.476 4.825 4.350 -0.001 0.000 0.317 551 T C -1.274 173.426 174.700 0.000 0.000 1.401 551 T CA -0.621 61.466 62.100 -0.021 0.000 1.028 551 T CB 1.837 70.684 68.868 -0.036 0.000 1.317 551 T HN 0.021 nan 8.240 nan 0.000 0.495 552 Q N 0.794 120.606 119.800 0.021 0.000 2.217 552 Q HA 0.466 4.805 4.340 -0.001 0.000 0.217 552 Q C -0.322 175.714 176.000 0.061 0.000 0.844 552 Q CA 0.050 55.886 55.803 0.056 0.000 0.957 552 Q CB 1.185 29.965 28.738 0.070 0.000 1.127 552 Q HN 0.411 nan 8.270 nan 0.000 0.503 553 S N -0.073 115.641 115.700 0.025 0.000 2.605 553 S HA 0.675 5.145 4.470 -0.001 0.000 0.308 553 S C -1.409 173.181 174.600 -0.017 0.000 1.113 553 S CA -0.662 57.541 58.200 0.006 0.000 1.049 553 S CB 2.018 65.218 63.200 -0.000 0.000 1.001 553 S HN 0.057 nan 8.310 nan 0.000 0.480 554 V N 3.548 123.447 119.914 -0.026 0.000 2.925 554 V HA 0.601 4.720 4.120 -0.001 0.000 0.311 554 V C -0.866 175.198 176.094 -0.049 0.000 1.104 554 V CA -0.871 61.403 62.300 -0.044 0.000 0.954 554 V CB 2.100 33.890 31.823 -0.055 0.000 1.022 554 V HN 0.816 nan 8.190 nan 0.000 0.427 555 K N 3.380 123.749 120.400 -0.051 0.000 2.098 555 K HA 0.600 4.920 4.320 -0.001 0.000 0.261 555 K C -0.358 176.207 176.600 -0.058 0.000 0.987 555 K CA -0.451 55.807 56.287 -0.048 0.000 0.916 555 K CB 1.757 34.232 32.500 -0.042 0.000 1.039 555 K HN 0.809 nan 8.250 nan 0.000 0.455 556 V N 0.864 120.743 119.914 -0.058 0.000 2.617 556 V HA 0.255 4.374 4.120 -0.001 0.000 0.304 556 V C 0.963 177.023 176.094 -0.056 0.000 1.040 556 V CA 0.684 62.944 62.300 -0.067 0.000 1.149 556 V CB -0.006 31.780 31.823 -0.061 0.000 0.914 556 V HN 1.113 nan 8.190 nan 0.000 0.487 557 G N 2.486 111.253 108.800 -0.055 0.000 2.217 557 G HA2 -0.095 3.865 3.960 -0.001 0.000 0.246 557 G HA3 -0.095 3.865 3.960 -0.001 0.000 0.246 557 G C 0.655 175.528 174.900 -0.045 0.000 0.990 557 G CA 0.082 45.155 45.100 -0.044 0.000 0.627 557 G HN 1.817 nan 8.290 nan 0.000 0.522 558 G N -0.332 108.436 108.800 -0.054 0.000 2.537 558 G HA2 0.604 4.563 3.960 -0.001 0.000 0.273 558 G HA3 0.604 4.563 3.960 -0.001 0.000 0.273 558 G C 0.021 174.865 174.900 -0.092 0.000 1.189 558 G CA -0.534 44.525 45.100 -0.068 0.000 0.881 558 G HN 0.479 nan 8.290 nan 0.000 0.535 559 R N -0.617 119.808 120.500 -0.126 0.000 2.668 559 R HA 0.589 4.928 4.340 -0.001 0.000 0.279 559 R C -0.656 175.461 176.300 -0.305 0.000 0.976 559 R CA -0.609 55.365 56.100 -0.209 0.000 0.978 559 R CB 1.929 32.134 30.300 -0.158 0.000 1.133 559 R HN 0.356 nan 8.270 nan 0.000 0.484 560 I N 0.730 120.955 120.570 -0.574 0.000 2.582 560 I HA 0.286 4.455 4.170 -0.001 0.000 0.292 560 I C -0.484 175.305 176.117 -0.548 0.000 1.066 560 I CA -0.628 60.323 61.300 -0.582 0.000 1.053 560 I CB 2.666 40.214 38.000 -0.753 0.000 1.241 560 I HN 0.470 nan 8.210 nan 0.000 0.421 561 T N 6.610 121.003 114.554 -0.269 0.000 2.807 561 T HA 0.681 5.030 4.350 -0.001 0.000 0.279 561 T C -0.357 174.312 174.700 -0.053 0.000 0.993 561 T CA -0.406 61.611 62.100 -0.139 0.000 0.970 561 T CB 1.349 70.162 68.868 -0.091 0.000 0.950 561 T HN 0.494 nan 8.240 nan 0.000 0.441 562 I N -0.759 119.836 120.570 0.040 0.000 2.892 562 I HA 0.881 5.050 4.170 -0.001 0.000 0.306 562 I C -0.666 175.531 176.117 0.133 0.000 1.078 562 I CA -0.865 60.493 61.300 0.098 0.000 1.032 562 I CB 2.497 40.593 38.000 0.161 0.000 1.229 562 I HN 0.387 nan 8.210 nan 0.000 0.435 563 S N 1.542 117.308 115.700 0.110 0.000 2.513 563 S HA 0.759 5.229 4.470 -0.001 0.000 0.299 563 S C -0.290 174.384 174.600 0.124 0.000 1.087 563 S CA -0.581 57.684 58.200 0.109 0.000 1.012 563 S CB 1.948 65.180 63.200 0.054 0.000 1.044 563 S HN 0.902 nan 8.310 nan 0.000 0.485 564 T N -1.669 112.978 114.554 0.155 0.000 2.907 564 T HA 0.497 4.846 4.350 -0.001 0.000 0.290 564 T C 0.026 174.781 174.700 0.091 0.000 1.066 564 T CA -0.778 61.395 62.100 0.121 0.000 1.012 564 T CB 1.396 70.348 68.868 0.139 0.000 1.184 564 T HN 0.505 nan 8.240 nan 0.000 0.522 565 D N -0.330 120.107 120.400 0.062 0.000 2.350 565 D HA 0.139 4.778 4.640 -0.001 0.000 0.213 565 D C 0.566 176.895 176.300 0.049 0.000 1.031 565 D CA -0.032 53.996 54.000 0.046 0.000 0.861 565 D CB -0.082 40.736 40.800 0.029 0.000 0.926 565 D HN 0.678 nan 8.370 nan 0.000 0.520 566 S N -0.950 114.787 115.700 0.063 0.000 2.596 566 S HA 0.474 4.943 4.470 -0.001 0.000 0.270 566 S C -0.494 174.162 174.600 0.093 0.000 1.155 566 S CA -0.742 57.495 58.200 0.061 0.000 0.827 566 S CB 1.249 64.469 63.200 0.032 0.000 1.130 566 S HN 0.183 nan 8.310 nan 0.000 0.467 567 S N 1.011 116.769 115.700 0.097 0.000 2.549 567 S HA 0.532 5.001 4.470 -0.001 0.000 0.283 567 S C 0.289 174.906 174.600 0.028 0.000 1.320 567 S CA -0.713 57.572 58.200 0.141 0.000 1.058 567 S CB -0.670 62.605 63.200 0.124 0.000 0.882 567 S HN 1.146 nan 8.310 nan 0.000 0.498 568 I N -0.182 120.339 120.570 -0.083 0.000 2.646 568 I HA 0.595 4.764 4.170 -0.001 0.000 0.299 568 I C 0.556 176.558 176.117 -0.192 0.000 1.036 568 I CA -0.911 60.251 61.300 -0.231 0.000 1.074 568 I CB 2.324 40.071 38.000 -0.421 0.000 1.258 568 I HN 0.711 nan 8.210 nan 0.000 0.430 569 S N 3.089 118.713 115.700 -0.127 0.000 2.499 569 S HA 0.356 4.826 4.470 -0.001 0.000 0.225 569 S C 0.542 175.091 174.600 -0.085 0.000 1.050 569 S CA -0.111 58.046 58.200 -0.071 0.000 0.928 569 S CB 0.043 63.218 63.200 -0.041 0.000 0.803 569 S HN 0.754 nan 8.310 nan 0.000 0.506 570 K N 0.258 120.589 120.400 -0.116 0.000 2.480 570 K HA 0.840 5.159 4.320 -0.001 0.000 0.258 570 K C -1.544 174.975 176.600 -0.135 0.000 0.990 570 K CA -0.649 55.574 56.287 -0.107 0.000 0.857 570 K CB 2.416 34.864 32.500 -0.087 0.000 1.384 570 K HN 0.273 nan 8.250 nan 0.000 0.446 571 A N 0.564 123.305 122.820 -0.131 0.000 2.594 571 A HA 0.763 5.083 4.320 -0.001 0.000 0.295 571 A C -1.402 176.090 177.584 -0.154 0.000 1.071 571 A CA -0.653 51.292 52.037 -0.154 0.000 0.685 571 A CB 1.691 20.558 19.000 -0.222 0.000 1.285 571 A HN 0.688 nan 8.150 nan 0.000 0.405 572 S N 0.229 115.864 115.700 -0.108 0.000 2.570 572 S HA 0.790 5.260 4.470 -0.001 0.000 0.270 572 S C -1.390 173.218 174.600 0.014 0.000 1.149 572 S CA -0.704 57.463 58.200 -0.055 0.000 0.837 572 S CB 1.089 64.299 63.200 0.016 0.000 1.124 572 S HN 0.835 nan 8.310 nan 0.000 0.465 573 L N 1.811 123.070 121.223 0.060 0.000 2.333 573 L HA 0.614 4.954 4.340 -0.001 0.000 0.280 573 L C -1.071 176.095 176.870 0.493 0.000 1.004 573 L CA -0.709 54.261 54.840 0.217 0.000 0.820 573 L CB 1.411 43.494 42.059 0.039 0.000 1.247 573 L HN 0.649 nan 8.230 nan 0.000 0.416 574 I N 3.638 124.488 120.570 0.467 0.000 2.410 574 I HA 0.369 4.538 4.170 -0.001 0.000 0.286 574 I C 0.115 176.259 176.117 0.044 0.000 1.009 574 I CA -0.619 60.859 61.300 0.296 0.000 1.111 574 I CB 1.915 40.059 38.000 0.240 0.000 1.262 574 I HN 0.576 nan 8.210 nan 0.000 0.443 575 R N 4.901 125.150 120.500 -0.418 0.000 2.537 575 R HA 0.166 4.505 4.340 -0.001 0.000 0.280 575 R C -0.907 175.216 176.300 -0.296 0.000 1.058 575 R CA -0.120 55.477 56.100 -0.838 0.000 1.057 575 R CB 0.445 29.924 30.300 -1.368 0.000 0.973 575 R HN 0.380 nan 8.270 nan 0.000 0.438 576 Y N 1.406 121.605 120.300 -0.169 0.000 2.702 576 Y HA 0.086 4.635 4.550 -0.001 0.000 0.336 576 Y C 1.293 177.172 175.900 -0.035 0.000 1.235 576 Y CA 1.258 59.339 58.100 -0.032 0.000 1.492 576 Y CB 0.766 39.237 38.460 0.017 0.000 1.308 576 Y HN 0.695 nan 8.280 nan 0.000 0.589 577 G N 0.930 109.831 108.800 0.168 0.000 2.491 577 G HA2 0.624 4.583 3.960 -0.001 0.000 0.327 577 G HA3 0.624 4.583 3.960 -0.001 0.000 0.327 577 G C -0.904 174.057 174.900 0.103 0.000 1.189 577 G CA -0.644 44.518 45.100 0.103 0.000 0.956 577 G HN 0.628 nan 8.290 nan 0.000 0.491 578 T N -3.086 111.507 114.554 0.064 0.000 2.903 578 T HA 0.811 5.161 4.350 -0.001 0.000 0.299 578 T C -0.604 174.091 174.700 -0.008 0.000 1.093 578 T CA -0.360 61.768 62.100 0.047 0.000 1.002 578 T CB 2.039 70.959 68.868 0.086 0.000 1.127 578 T HN 1.830 nan 8.240 nan 0.000 0.488 579 A N 0.981 123.759 122.820 -0.070 0.000 2.566 579 A HA 0.879 5.198 4.320 -0.001 0.000 0.297 579 A C -0.449 177.011 177.584 -0.206 0.000 1.059 579 A CA -0.741 51.227 52.037 -0.115 0.000 0.691 579 A CB 1.766 20.719 19.000 -0.079 0.000 1.282 579 A HN 1.330 nan 8.150 nan 0.000 0.401 580 T N 0.288 114.718 114.554 -0.206 0.000 3.289 580 T HA 0.478 4.827 4.350 -0.001 0.000 0.370 580 T C -0.788 173.778 174.700 -0.222 0.000 1.546 580 T CA -0.064 61.896 62.100 -0.233 0.000 1.144 580 T CB 0.205 68.947 68.868 -0.209 0.000 1.379 580 T HN 1.673 nan 8.240 nan 0.000 0.478 581 H N 2.312 121.069 119.070 -0.522 0.000 2.713 581 H HA -0.223 4.332 4.556 -0.001 0.000 0.311 581 H C 1.353 176.304 175.328 -0.628 0.000 1.175 581 H CA 2.707 58.348 56.048 -0.679 0.000 1.143 581 H CB -1.891 27.262 29.762 -1.014 0.000 1.434 581 H HN 1.411 nan 8.280 nan 0.000 0.418 582 T N -6.373 107.972 114.554 -0.348 0.000 7.013 582 T HA -0.268 4.082 4.350 -0.001 0.000 0.288 582 T C 0.345 174.871 174.700 -0.290 0.000 2.146 582 T CA 0.778 62.686 62.100 -0.319 0.000 3.498 582 T CB -2.088 66.575 68.868 -0.343 0.000 1.517 582 T HN 0.457 nan 8.240 nan 0.000 1.113 583 V N 2.401 122.159 119.914 -0.260 0.000 2.509 583 V HA 0.722 4.841 4.120 -0.001 0.000 0.284 583 V C 0.407 176.414 176.094 -0.144 0.000 1.047 583 V CA -0.215 61.974 62.300 -0.185 0.000 0.952 583 V CB 1.533 33.279 31.823 -0.130 0.000 0.988 583 V HN 0.629 nan 8.190 nan 0.000 0.469 584 N N 2.416 121.036 118.700 -0.134 0.000 2.701 584 N HA 0.106 4.846 4.740 -0.001 0.000 0.258 584 N C 0.451 175.895 175.510 -0.109 0.000 1.262 584 N CA 0.206 53.205 53.050 -0.084 0.000 0.780 584 N CB 1.840 40.300 38.487 -0.046 0.000 1.380 584 N HN 0.746 nan 8.380 nan 0.000 0.548 585 T N -1.823 112.668 114.554 -0.105 0.000 3.107 585 T HA 0.150 4.499 4.350 -0.001 0.000 0.249 585 T C 0.635 175.315 174.700 -0.034 0.000 1.096 585 T CA 0.488 62.497 62.100 -0.152 0.000 1.012 585 T CB 0.364 69.161 68.868 -0.118 0.000 0.977 585 T HN 0.159 nan 8.240 nan 0.000 0.527 586 D N 1.722 122.123 120.400 0.002 0.000 2.262 586 D HA 0.018 4.657 4.640 -0.001 0.000 0.212 586 D C 1.275 177.563 176.300 -0.019 0.000 0.964 586 D CA 0.389 54.399 54.000 0.016 0.000 0.875 586 D CB 0.020 40.843 40.800 0.037 0.000 0.996 586 D HN 0.731 nan 8.370 nan 0.000 0.497 587 Q N 1.591 121.396 119.800 0.009 0.000 2.373 587 Q HA 0.274 4.613 4.340 -0.001 0.000 0.255 587 Q C -0.165 175.874 176.000 0.064 0.000 0.980 587 Q CA -0.152 55.654 55.803 0.005 0.000 0.882 587 Q CB 0.935 29.706 28.738 0.056 0.000 1.249 587 Q HN 0.066 nan 8.270 nan 0.000 0.438 588 R N 0.162 120.680 120.500 0.029 0.000 2.825 588 R HA 0.452 4.792 4.340 -0.001 0.000 0.274 588 R C -1.841 174.564 176.300 0.176 0.000 1.026 588 R CA -1.089 55.094 56.100 0.137 0.000 0.867 588 R CB 1.080 31.502 30.300 0.203 0.000 1.268 588 R HN 0.801 nan 8.270 nan 0.000 0.491 589 R N 1.878 122.529 120.500 0.252 0.000 2.686 589 R HA 0.592 4.932 4.340 -0.001 0.000 0.286 589 R C -1.195 175.278 176.300 0.288 0.000 0.969 589 R CA -0.741 55.534 56.100 0.290 0.000 0.898 589 R CB 1.725 32.152 30.300 0.211 0.000 1.183 589 R HN 0.702 nan 8.270 nan 0.000 0.456 590 I N 6.164 126.903 120.570 0.281 0.000 2.411 590 I HA 0.354 4.524 4.170 -0.001 0.000 0.284 590 I C -2.140 174.000 176.117 0.039 0.000 1.012 590 I CA -2.435 58.942 61.300 0.129 0.000 1.119 590 I CB 2.302 40.308 38.000 0.010 0.000 1.261 590 I HN 0.444 nan 8.210 nan 0.000 0.448 591 P HA 0.262 nan 4.420 nan 0.000 0.281 591 P C -0.965 176.299 177.300 -0.059 0.000 1.252 591 P CA -0.220 62.873 63.100 -0.012 0.000 0.778 591 P CB 1.134 32.844 31.700 0.016 0.000 0.895 592 L N 2.649 123.800 121.223 -0.121 0.000 2.325 592 L HA 0.378 4.718 4.340 -0.001 0.000 0.279 592 L C 0.891 177.723 176.870 -0.063 0.000 1.054 592 L CA -0.421 54.326 54.840 -0.155 0.000 0.804 592 L CB 0.988 42.798 42.059 -0.416 0.000 1.200 592 L HN 0.250 nan 8.230 nan 0.000 0.436 593 T N 4.205 118.761 114.554 0.004 0.000 2.747 593 T HA 0.437 4.786 4.350 -0.001 0.000 0.301 593 T C 0.065 174.827 174.700 0.102 0.000 0.952 593 T CA -0.349 61.778 62.100 0.044 0.000 0.983 593 T CB 0.061 68.957 68.868 0.047 0.000 0.930 593 T HN 0.253 nan 8.240 nan 0.000 0.494 594 L N 3.208 124.491 121.223 0.099 0.000 2.350 594 L HA 0.422 4.761 4.340 -0.001 0.000 0.275 594 L C 0.690 177.663 176.870 0.171 0.000 1.099 594 L CA -0.505 54.439 54.840 0.173 0.000 0.808 594 L CB 0.950 43.103 42.059 0.157 0.000 1.149 594 L HN 0.491 nan 8.230 nan 0.000 0.442 595 T N 1.802 116.471 114.554 0.192 0.000 2.791 595 T HA 0.179 4.529 4.350 -0.001 0.000 0.288 595 T C -0.245 174.521 174.700 0.110 0.000 0.999 595 T CA -0.494 61.677 62.100 0.118 0.000 0.952 595 T CB 0.824 69.733 68.868 0.068 0.000 0.938 595 T HN 0.405 nan 8.240 nan 0.000 0.444 596 N N 2.648 121.382 118.700 0.056 0.000 2.406 596 N HA 0.157 4.897 4.740 -0.001 0.000 0.251 596 N C 0.807 176.232 175.510 -0.141 0.000 1.069 596 N CA -0.202 52.783 53.050 -0.109 0.000 0.947 596 N CB 0.283 38.736 38.487 -0.056 0.000 1.111 596 N HN 0.511 nan 8.380 nan 0.000 0.497 597 N N 2.362 120.939 118.700 -0.206 0.000 2.521 597 N HA 0.115 4.855 4.740 -0.001 0.000 0.188 597 N C -0.097 175.328 175.510 -0.142 0.000 1.146 597 N CA 0.130 53.095 53.050 -0.141 0.000 0.893 597 N CB 0.161 38.573 38.487 -0.126 0.000 0.975 597 N HN 0.660 nan 8.380 nan 0.000 0.451 598 G N -0.183 108.502 108.800 -0.191 0.000 3.226 598 G HA2 0.309 4.268 3.960 -0.001 0.000 0.685 598 G HA3 0.309 4.268 3.960 -0.001 0.000 0.685 598 G C 0.168 174.964 174.900 -0.173 0.000 1.207 598 G CA -0.748 44.267 45.100 -0.143 0.000 0.877 598 G HN 0.479 nan 8.290 nan 0.000 0.585 599 G N 1.582 110.297 108.800 -0.142 0.000 2.528 599 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.262 599 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.262 599 G C 0.537 175.331 174.900 -0.176 0.000 1.200 599 G CA 0.463 45.497 45.100 -0.110 0.000 0.951 599 G HN 1.730 nan 8.290 nan 0.000 0.566 600 N N 1.051 119.697 118.700 -0.090 0.000 2.758 600 N HA 0.435 5.175 4.740 -0.001 0.000 0.293 600 N C -0.396 175.078 175.510 -0.059 0.000 1.273 600 N CA 0.543 53.601 53.050 0.014 0.000 1.022 600 N CB 0.594 39.153 38.487 0.119 0.000 1.334 600 N HN 0.499 nan 8.380 nan 0.000 0.519 601 S N 0.951 116.415 115.700 -0.393 0.000 2.605 601 S HA 0.479 4.949 4.470 -0.001 0.000 0.308 601 S C -1.439 172.840 174.600 -0.536 0.000 1.113 601 S CA -0.488 57.553 58.200 -0.265 0.000 1.049 601 S CB 0.443 63.543 63.200 -0.167 0.000 1.001 601 S HN 0.173 nan 8.310 nan 0.000 0.480 602 Y N 1.380 121.696 120.300 0.027 0.000 2.576 602 Y HA 0.699 5.248 4.550 -0.001 0.000 0.346 602 Y C 0.370 176.291 175.900 0.035 0.000 1.018 602 Y CA -0.840 57.289 58.100 0.048 0.000 1.050 602 Y CB 2.305 40.818 38.460 0.088 0.000 1.280 602 Y HN 0.538 nan 8.280 nan 0.000 0.474 603 S N 1.733 117.551 115.700 0.197 0.000 2.569 603 S HA 0.832 5.301 4.470 -0.001 0.000 0.280 603 S C -1.640 173.054 174.600 0.157 0.000 1.111 603 S CA -0.818 57.410 58.200 0.046 0.000 0.887 603 S CB 1.755 64.938 63.200 -0.029 0.000 1.095 603 S HN 0.532 nan 8.310 nan 0.000 0.476 604 F N -0.364 119.602 119.950 0.026 0.000 2.668 604 F HA 0.670 5.196 4.527 -0.001 0.000 0.309 604 F C -1.072 174.718 175.800 -0.018 0.000 1.117 604 F CA -0.959 57.045 58.000 0.007 0.000 0.951 604 F CB 1.397 40.398 39.000 0.003 0.000 1.323 604 F HN 0.511 nan 8.300 nan 0.000 0.451 605 Q N 2.213 122.152 119.800 0.232 0.000 2.316 605 Q HA 0.649 4.988 4.340 -0.001 0.000 0.264 605 Q C -1.568 174.538 176.000 0.177 0.000 0.987 605 Q CA -0.973 54.895 55.803 0.109 0.000 0.852 605 Q CB 2.367 31.130 28.738 0.041 0.000 1.287 605 Q HN 0.796 nan 8.270 nan 0.000 0.448 606 V N 6.007 125.983 119.914 0.104 0.000 2.614 606 V HA 0.202 4.321 4.120 -0.001 0.000 0.291 606 V C -2.085 173.986 176.094 -0.038 0.000 1.049 606 V CA -1.406 60.907 62.300 0.022 0.000 1.038 606 V CB 0.899 32.694 31.823 -0.047 0.000 0.980 606 V HN 0.815 nan 8.190 nan 0.000 0.481 607 P HA -0.031 nan 4.420 nan 0.000 0.263 607 P C 0.855 178.111 177.300 -0.074 0.000 1.175 607 P CA 0.470 63.530 63.100 -0.067 0.000 0.761 607 P CB 0.480 32.132 31.700 -0.080 0.000 0.794 608 S N 1.102 116.765 115.700 -0.062 0.000 2.447 608 S HA -0.101 4.368 4.470 -0.001 0.000 0.233 608 S C 0.779 175.335 174.600 -0.075 0.000 1.006 608 S CA 0.669 58.832 58.200 -0.062 0.000 0.957 608 S CB -0.379 62.791 63.200 -0.051 0.000 0.773 608 S HN 0.428 nan 8.310 nan 0.000 0.507 609 D N 2.133 122.475 120.400 -0.098 0.000 2.295 609 D HA 0.251 4.891 4.640 -0.001 0.000 0.248 609 D C 0.969 177.200 176.300 -0.116 0.000 1.154 609 D CA 0.160 54.084 54.000 -0.127 0.000 0.857 609 D CB 1.707 42.389 40.800 -0.196 0.000 1.117 609 D HN 0.350 nan 8.370 nan 0.000 0.468 610 S N 1.792 117.444 115.700 -0.080 0.000 2.603 610 S HA -0.011 4.459 4.470 -0.001 0.000 0.229 610 S C 1.754 176.347 174.600 -0.012 0.000 0.972 610 S CA 0.437 58.621 58.200 -0.027 0.000 0.935 610 S CB 0.169 63.368 63.200 -0.001 0.000 0.769 610 S HN 0.483 nan 8.310 nan 0.000 0.536 611 G N 0.946 109.672 108.800 -0.123 0.000 2.464 611 G HA2 0.070 4.029 3.960 -0.001 0.000 0.217 611 G HA3 0.070 4.029 3.960 -0.001 0.000 0.217 611 G C 1.205 175.989 174.900 -0.193 0.000 1.138 611 G CA 0.702 45.695 45.100 -0.178 0.000 0.793 611 G HN 0.470 nan 8.290 nan 0.000 0.539 612 V N 0.884 120.659 119.914 -0.232 0.000 2.403 612 V HA 0.294 4.414 4.120 -0.001 0.000 0.239 612 V C 2.087 178.280 176.094 0.164 0.000 1.041 612 V CA 1.251 63.506 62.300 -0.074 0.000 1.051 612 V CB -0.297 31.438 31.823 -0.147 0.000 0.704 612 V HN 0.316 nan 8.190 nan 0.000 0.472 613 A N 1.183 124.040 122.820 0.063 0.000 3.056 613 A HA 0.399 4.718 4.320 -0.001 0.000 0.274 613 A C 0.193 177.942 177.584 0.275 0.000 1.661 613 A CA -0.147 51.925 52.037 0.058 0.000 1.363 613 A CB -1.044 17.840 19.000 -0.193 0.000 1.139 613 A HN 0.478 nan 8.150 nan 0.000 0.598 614 L N 3.336 124.884 121.223 0.542 0.000 2.601 614 L HA 0.068 4.407 4.340 -0.001 0.000 0.277 614 L C -1.569 175.596 176.870 0.492 0.000 1.219 614 L CA -0.963 54.136 54.840 0.432 0.000 0.915 614 L CB 0.496 42.776 42.059 0.368 0.000 1.160 614 L HN 0.432 nan 8.230 nan 0.000 0.494 615 P HA 0.153 nan 4.420 nan 0.000 0.267 615 P C 0.171 177.610 177.300 0.233 0.000 1.200 615 P CA 0.315 63.554 63.100 0.231 0.000 0.772 615 P CB 1.189 32.956 31.700 0.111 0.000 0.855 616 G N 1.559 110.473 108.800 0.190 0.000 2.278 616 G HA2 0.035 3.994 3.960 -0.001 0.000 0.265 616 G HA3 0.035 3.994 3.960 -0.001 0.000 0.265 616 G C -1.895 173.071 174.900 0.110 0.000 1.329 616 G CA -0.836 44.307 45.100 0.072 0.000 1.017 616 G HN 0.313 nan 8.290 nan 0.000 0.472 617 Y N -0.216 120.225 120.300 0.234 0.000 2.308 617 Y HA 0.664 5.213 4.550 -0.001 0.000 0.329 617 Y C -0.001 176.169 175.900 0.450 0.000 1.111 617 Y CA 0.099 58.398 58.100 0.332 0.000 1.179 617 Y CB 1.289 39.821 38.460 0.120 0.000 1.201 617 Y HN 0.572 nan 8.280 nan 0.000 0.483 618 W N 2.951 124.536 121.300 0.475 0.000 2.882 618 W HA 0.663 5.323 4.660 -0.001 0.000 0.345 618 W C -0.995 175.592 176.519 0.113 0.000 1.125 618 W CA -1.095 56.400 57.345 0.251 0.000 1.167 618 W CB 1.301 30.848 29.460 0.146 0.000 1.431 618 W HN 0.220 nan 8.180 nan 0.000 0.543 619 M N 3.140 122.776 119.600 0.059 0.000 2.180 619 M HA 0.332 4.811 4.480 -0.001 0.000 0.350 619 M C -0.802 175.406 176.300 -0.155 0.000 1.125 619 M CA -1.063 54.104 55.300 -0.222 0.000 1.031 619 M CB 1.001 33.304 32.600 -0.495 0.000 1.623 619 M HN 0.209 nan 8.290 nan 0.000 0.451 620 L N 4.868 125.956 121.223 -0.225 0.000 2.264 620 L HA 0.594 4.934 4.340 -0.001 0.000 0.289 620 L C -1.789 174.873 176.870 -0.348 0.000 1.044 620 L CA 0.306 55.050 54.840 -0.159 0.000 0.807 620 L CB 0.264 42.312 42.059 -0.017 0.000 1.192 620 L HN 0.428 nan 8.230 nan 0.000 0.425 621 F N 4.784 124.692 119.950 -0.071 0.000 2.520 621 F HA 0.656 5.182 4.527 -0.001 0.000 0.322 621 F C -0.122 175.599 175.800 -0.132 0.000 1.103 621 F CA -0.728 57.214 58.000 -0.097 0.000 0.926 621 F CB 2.189 41.118 39.000 -0.118 0.000 1.154 621 F HN 0.389 nan 8.300 nan 0.000 0.453 622 V N 1.281 121.240 119.914 0.075 0.000 2.604 622 V HA 0.802 4.921 4.120 -0.001 0.000 0.305 622 V C -0.705 175.353 176.094 -0.061 0.000 1.043 622 V CA -0.860 61.414 62.300 -0.044 0.000 0.888 622 V CB 1.692 33.461 31.823 -0.090 0.000 0.995 622 V HN 0.668 nan 8.190 nan 0.000 0.429 623 M N 4.876 124.410 119.600 -0.110 0.000 2.456 623 M HA 0.542 5.021 4.480 -0.001 0.000 0.324 623 M C -0.073 176.161 176.300 -0.111 0.000 1.124 623 M CA -0.438 54.789 55.300 -0.120 0.000 0.959 623 M CB 1.644 34.154 32.600 -0.151 0.000 1.692 623 M HN 1.012 nan 8.290 nan 0.000 0.444 624 N N 0.104 118.753 118.700 -0.085 0.000 2.374 624 N HA 0.270 5.009 4.740 -0.001 0.000 0.284 624 N C 0.686 176.165 175.510 -0.052 0.000 1.280 624 N CA -0.054 52.958 53.050 -0.062 0.000 0.963 624 N CB -0.179 38.285 38.487 -0.038 0.000 1.141 624 N HN 0.649 nan 8.380 nan 0.000 0.565 625 S N -2.245 113.436 115.700 -0.031 0.000 2.399 625 S HA -0.120 4.350 4.470 -0.001 0.000 0.231 625 S C 1.708 176.295 174.600 -0.023 0.000 1.022 625 S CA 0.755 58.942 58.200 -0.022 0.000 0.983 625 S CB -1.019 62.177 63.200 -0.007 0.000 0.803 625 S HN 0.779 nan 8.310 nan 0.000 0.480 626 A N 0.862 123.670 122.820 -0.021 0.000 2.167 626 A HA 0.521 4.840 4.320 -0.001 0.000 0.214 626 A C 1.869 179.441 177.584 -0.021 0.000 1.151 626 A CA 0.769 52.797 52.037 -0.016 0.000 0.735 626 A CB -1.084 17.912 19.000 -0.007 0.000 0.802 626 A HN 1.563 nan 8.150 nan 0.000 0.467 627 G N -1.812 106.963 108.800 -0.043 0.000 2.157 627 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.239 627 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.239 627 G C 0.128 174.970 174.900 -0.096 0.000 0.982 627 G CA 0.034 45.092 45.100 -0.069 0.000 0.650 627 G HN 0.788 nan 8.290 nan 0.000 0.527 628 V N 3.403 123.277 119.914 -0.067 0.000 2.439 628 V HA 0.402 4.521 4.120 -0.001 0.000 0.271 628 V C -0.996 175.030 176.094 -0.113 0.000 1.040 628 V CA -0.843 61.417 62.300 -0.066 0.000 1.002 628 V CB 1.119 32.925 31.823 -0.028 0.000 1.000 628 V HN 0.305 nan 8.190 nan 0.000 0.477 629 P HA 0.277 nan 4.420 nan 0.000 0.281 629 P C -0.264 177.033 177.300 -0.006 0.000 1.249 629 P CA -0.347 62.667 63.100 -0.143 0.000 0.810 629 P CB 1.490 32.979 31.700 -0.351 0.000 1.008 630 S N 0.931 116.672 115.700 0.069 0.000 2.655 630 S HA 0.382 4.852 4.470 -0.001 0.000 0.265 630 S C 0.776 175.475 174.600 0.166 0.000 1.240 630 S CA -0.678 57.568 58.200 0.075 0.000 0.986 630 S CB 0.000 63.223 63.200 0.038 0.000 0.985 630 S HN 0.458 nan 8.310 nan 0.000 0.562 631 V N -1.449 118.513 119.914 0.081 0.000 3.133 631 V HA 0.747 4.866 4.120 -0.001 0.000 0.305 631 V C 0.608 176.629 176.094 -0.121 0.000 1.084 631 V CA -0.753 61.590 62.300 0.071 0.000 1.089 631 V CB -0.368 31.471 31.823 0.025 0.000 1.073 631 V HN 1.227 nan 8.190 nan 0.000 0.477 632 A N 2.575 125.190 122.820 -0.342 0.000 2.425 632 A HA 0.594 4.913 4.320 -0.001 0.000 0.249 632 A C 0.476 177.887 177.584 -0.288 0.000 1.084 632 A CA -0.132 51.496 52.037 -0.682 0.000 0.781 632 A CB 0.035 18.475 19.000 -0.934 0.000 1.019 632 A HN 1.030 nan 8.150 nan 0.000 0.490 633 S N 0.815 116.371 115.700 -0.239 0.000 2.451 633 S HA 0.462 4.932 4.470 -0.001 0.000 0.301 633 S C 0.033 174.630 174.600 -0.006 0.000 1.116 633 S CA -0.384 57.774 58.200 -0.071 0.000 1.093 633 S CB 1.218 64.403 63.200 -0.026 0.000 1.017 633 S HN 0.743 nan 8.310 nan 0.000 0.482 634 T N 4.690 119.294 114.554 0.083 0.000 2.794 634 T HA 0.382 4.732 4.350 -0.001 0.000 0.296 634 T C -0.185 174.658 174.700 0.238 0.000 0.949 634 T CA -0.190 62.041 62.100 0.218 0.000 1.101 634 T CB -0.010 68.986 68.868 0.213 0.000 0.905 634 T HN 0.314 nan 8.240 nan 0.000 0.516 635 I N 2.969 123.732 120.570 0.322 0.000 2.545 635 I HA 0.435 4.604 4.170 -0.001 0.000 0.292 635 I C 0.179 176.491 176.117 0.325 0.000 1.040 635 I CA -0.916 60.545 61.300 0.269 0.000 1.068 635 I CB 2.045 40.169 38.000 0.207 0.000 1.251 635 I HN 0.541 nan 8.210 nan 0.000 0.424 636 R N 4.828 125.432 120.500 0.174 0.000 2.294 636 R HA 0.681 5.020 4.340 -0.001 0.000 0.319 636 R C -1.524 174.778 176.300 0.002 0.000 0.984 636 R CA -0.381 55.714 56.100 -0.008 0.000 0.861 636 R CB 1.382 31.559 30.300 -0.206 0.000 1.104 636 R HN 0.441 nan 8.270 nan 0.000 0.451 637 V N 3.645 123.582 119.914 0.037 0.000 2.435 637 V HA 0.383 4.503 4.120 -0.001 0.000 0.290 637 V C 0.112 176.209 176.094 0.005 0.000 1.030 637 V CA -0.529 61.767 62.300 -0.006 0.000 0.881 637 V CB 1.703 33.470 31.823 -0.092 0.000 0.983 637 V HN 0.866 nan 8.190 nan 0.000 0.445 638 T N 3.850 118.391 114.554 -0.022 0.000 2.908 638 T HA 0.501 4.850 4.350 -0.001 0.000 0.290 638 T C -0.408 174.284 174.700 -0.013 0.000 1.034 638 T CA -0.631 61.460 62.100 -0.016 0.000 1.010 638 T CB 1.720 70.569 68.868 -0.031 0.000 1.068 638 T HN 0.824 nan 8.240 nan 0.000 0.481 639 Q N 0.000 119.797 119.800 -0.004 0.000 2.315 639 Q HA 0.000 4.339 4.340 -0.001 0.000 0.214 639 Q CA 0.000 55.798 55.803 -0.008 0.000 1.022 639 Q CB 0.000 28.740 28.738 0.004 0.000 1.108 639 Q HN 0.000 nan 8.270 nan 0.000 0.481