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 2eid_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 GRVFTIGGSG 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 0.000 177.642 177.584 0.096 0.000 1.274 1 A CA 0.000 52.079 52.037 0.070 0.000 0.836 1 A CB 0.000 19.007 19.000 0.012 0.000 0.831 2 S N -1.335 114.416 115.700 0.086 0.000 2.806 2 S HA 0.968 5.438 4.470 -0.000 0.000 0.306 2 S C -0.788 173.572 174.600 -0.400 0.000 1.167 2 S CA 0.264 58.404 58.200 -0.100 0.000 0.847 2 S CB 1.704 64.956 63.200 0.087 0.000 1.216 2 S HN 2.517 nan 8.310 nan 0.000 0.532 3 A N 1.899 124.316 122.820 -0.671 0.000 2.549 3 A HA 0.841 5.161 4.320 -0.000 0.000 0.297 3 A C -3.019 174.065 177.584 -0.833 0.000 1.061 3 A CA -1.381 50.233 52.037 -0.706 0.000 0.690 3 A CB 1.431 20.216 19.000 -0.360 0.000 1.287 3 A HN 0.592 nan 8.150 nan 0.000 0.402 4 P HA 0.422 nan 4.420 nan 0.000 0.278 4 P C 0.424 177.459 177.300 -0.441 0.000 1.266 4 P CA -0.464 62.203 63.100 -0.721 0.000 0.807 4 P CB 0.845 31.792 31.700 -1.255 0.000 1.094 5 I N -3.270 117.096 120.570 -0.339 0.000 3.860 5 I HA 0.381 4.551 4.170 -0.000 0.000 0.319 5 I C 0.759 176.787 176.117 -0.148 0.000 1.279 5 I CA -0.060 61.123 61.300 -0.194 0.000 1.220 5 I CB -0.080 37.830 38.000 -0.150 0.000 1.027 5 I HN 0.245 nan 8.210 nan 0.000 0.428 6 G N 0.903 109.608 108.800 -0.158 0.000 3.105 6 G HA2 0.597 4.557 3.960 -0.000 0.000 0.277 6 G HA3 0.597 4.557 3.960 -0.000 0.000 0.277 6 G C -1.128 173.864 174.900 0.153 0.000 1.375 6 G CA -0.235 44.873 45.100 0.014 0.000 0.962 6 G HN 0.268 nan 8.290 nan 0.000 0.541 7 S N -0.963 114.882 115.700 0.242 0.000 2.509 7 S HA 0.720 5.190 4.470 -0.000 0.000 0.297 7 S C 0.257 175.041 174.600 0.307 0.000 1.118 7 S CA -0.025 58.343 58.200 0.279 0.000 1.074 7 S CB 1.580 64.858 63.200 0.131 0.000 1.038 7 S HN 1.579 nan 8.310 nan 0.000 0.498 8 A N 3.003 125.949 122.820 0.210 0.000 2.511 8 A HA 0.447 4.767 4.320 -0.000 0.000 0.242 8 A C 0.228 177.756 177.584 -0.093 0.000 1.069 8 A CA -0.447 51.511 52.037 -0.131 0.000 0.763 8 A CB -0.540 18.364 19.000 -0.160 0.000 1.001 8 A HN 0.842 nan 8.150 nan 0.000 0.498 9 I N 2.086 122.580 120.570 -0.127 0.000 2.440 9 I HA 0.179 4.349 4.170 -0.000 0.000 0.294 9 I C 0.952 176.963 176.117 -0.178 0.000 0.995 9 I CA -0.246 61.032 61.300 -0.038 0.000 1.306 9 I CB 1.570 39.657 38.000 0.145 0.000 1.407 9 I HN 0.752 nan 8.210 nan 0.000 0.501 10 S N 5.472 121.079 115.700 -0.154 0.000 2.516 10 S HA 0.197 4.667 4.470 -0.000 0.000 0.282 10 S C 0.544 174.830 174.600 -0.523 0.000 1.286 10 S CA -0.585 57.459 58.200 -0.259 0.000 1.066 10 S CB 0.485 63.600 63.200 -0.141 0.000 0.884 10 S HN 0.617 nan 8.310 nan 0.000 0.491 11 R N 2.429 122.475 120.500 -0.756 0.000 2.480 11 R HA 0.166 4.506 4.340 -0.000 0.000 0.277 11 R C 0.763 176.716 176.300 -0.578 0.000 1.008 11 R CA 0.004 55.362 56.100 -1.237 0.000 1.090 11 R CB -0.480 29.103 30.300 -1.195 0.000 1.234 11 R HN 0.733 nan 8.270 nan 0.000 0.549 12 N N 1.005 119.512 118.700 -0.322 0.000 2.188 12 N HA -0.091 4.649 4.740 -0.000 0.000 0.184 12 N C 0.767 176.250 175.510 -0.044 0.000 1.018 12 N CA 0.744 53.709 53.050 -0.141 0.000 0.858 12 N CB 0.105 38.534 38.487 -0.096 0.000 0.989 12 N HN 0.146 nan 8.380 nan 0.000 0.426 13 N N -0.627 118.085 118.700 0.019 0.000 2.238 13 N HA 0.035 4.775 4.740 -0.000 0.000 0.222 13 N C -0.978 174.672 175.510 0.233 0.000 1.133 13 N CA -0.102 53.011 53.050 0.104 0.000 0.854 13 N CB 0.192 38.731 38.487 0.086 0.000 1.041 13 N HN 0.178 nan 8.380 nan 0.000 0.510 14 W N 1.742 123.021 121.300 -0.035 0.000 2.190 14 W HA 0.437 5.097 4.660 -0.000 0.000 0.330 14 W C 0.416 176.910 176.519 -0.041 0.000 1.299 14 W CA -1.296 56.025 57.345 -0.040 0.000 1.215 14 W CB 0.299 29.744 29.460 -0.024 0.000 1.147 14 W HN -0.093 nan 8.180 nan 0.000 0.563 15 A N 3.830 126.712 122.820 0.104 0.000 2.310 15 A HA 0.668 4.988 4.320 -0.000 0.000 0.304 15 A C -0.884 176.671 177.584 -0.049 0.000 1.231 15 A CA -0.685 51.365 52.037 0.022 0.000 0.799 15 A CB 0.451 19.447 19.000 -0.007 0.000 1.162 15 A HN 0.566 nan 8.150 nan 0.000 0.486 16 V N 0.454 120.325 119.914 -0.071 0.000 2.630 16 V HA 0.924 5.044 4.120 -0.000 0.000 0.305 16 V C -0.130 175.798 176.094 -0.276 0.000 1.046 16 V CA -0.371 61.789 62.300 -0.234 0.000 0.934 16 V CB 1.408 33.040 31.823 -0.317 0.000 1.003 16 V HN 0.698 nan 8.190 nan 0.000 0.451 17 T N 2.837 117.161 114.554 -0.384 0.000 2.886 17 T HA 0.625 4.975 4.350 -0.000 0.000 0.292 17 T C -0.656 173.787 174.700 -0.429 0.000 1.012 17 T CA -0.261 61.664 62.100 -0.290 0.000 0.982 17 T CB 1.296 70.080 68.868 -0.139 0.000 1.018 17 T HN 0.997 nan 8.240 nan 0.000 0.451 18 c N 1.913 120.329 118.600 -0.306 0.000 2.779 18 c HA 0.500 5.070 4.570 -0.000 0.000 0.314 18 c C 1.559 175.631 174.090 -0.030 0.000 1.231 18 c CA -0.760 55.426 56.329 -0.237 0.000 1.652 18 c CB 1.938 44.291 42.510 -0.260 0.000 2.198 18 c HN 1.063 nan 8.230 nan 0.000 0.483 19 D N 0.279 120.734 120.400 0.092 0.000 2.213 19 D HA -0.010 4.630 4.640 -0.000 0.000 0.205 19 D C 0.142 176.468 176.300 0.043 0.000 0.961 19 D CA 0.709 54.772 54.000 0.104 0.000 0.853 19 D CB 0.277 41.185 40.800 0.179 0.000 0.967 19 D HN 0.392 nan 8.370 nan 0.000 0.496 20 S N -0.905 114.796 115.700 0.003 0.000 2.566 20 S HA 0.648 5.118 4.470 -0.000 0.000 0.273 20 S C -1.394 173.046 174.600 -0.266 0.000 1.157 20 S CA -0.614 57.313 58.200 -0.456 0.000 0.938 20 S CB 2.205 65.075 63.200 -0.549 0.000 1.087 20 S HN 0.545 nan 8.310 nan 0.000 0.474 21 A N 2.765 125.293 122.820 -0.487 0.000 2.465 21 A HA 0.672 4.992 4.320 -0.000 0.000 0.292 21 A C -0.784 176.844 177.584 0.074 0.000 1.041 21 A CA -0.691 51.350 52.037 0.006 0.000 0.718 21 A CB 1.170 20.320 19.000 0.250 0.000 1.266 21 A HN 0.586 nan 8.150 nan 0.000 0.403 22 Q N 0.413 120.320 119.800 0.179 0.000 2.396 22 Q HA 0.314 4.654 4.340 -0.000 0.000 0.221 22 Q C 0.330 176.414 176.000 0.140 0.000 1.025 22 Q CA -0.066 55.869 55.803 0.219 0.000 0.946 22 Q CB 1.401 30.206 28.738 0.113 0.000 1.224 22 Q HN 0.743 nan 8.270 nan 0.000 0.539 23 S N -0.860 114.885 115.700 0.074 0.000 2.481 23 S HA 0.400 4.870 4.470 -0.000 0.000 0.276 23 S C 0.779 175.381 174.600 0.003 0.000 1.247 23 S CA 0.805 59.028 58.200 0.038 0.000 1.053 23 S CB -0.189 63.017 63.200 0.009 0.000 0.925 23 S HN 0.791 nan 8.310 nan 0.000 0.491 24 G N 4.712 113.516 108.800 0.007 0.000 2.254 24 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.225 24 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.225 24 G C 0.085 174.954 174.900 -0.051 0.000 1.003 24 G CA 0.132 45.213 45.100 -0.030 0.000 0.622 24 G HN 0.695 nan 8.290 nan 0.000 0.507 25 N N 1.279 119.983 118.700 0.006 0.000 2.660 25 N HA 0.456 5.196 4.740 -0.000 0.000 0.316 25 N C -0.245 175.389 175.510 0.207 0.000 1.774 25 N CA -0.425 52.651 53.050 0.043 0.000 0.946 25 N CB 0.803 39.332 38.487 0.070 0.000 1.322 25 N HN 0.396 nan 8.380 nan 0.000 0.492 26 E N -0.248 120.059 120.200 0.178 0.000 2.435 26 E HA -0.031 4.319 4.350 -0.000 0.000 0.256 26 E C 0.823 177.614 176.600 0.318 0.000 1.245 26 E CA -0.126 56.405 56.400 0.218 0.000 0.989 26 E CB 0.513 30.285 29.700 0.121 0.000 0.983 26 E HN 0.254 nan 8.360 nan 0.000 0.480 27 c N 1.540 120.252 118.600 0.186 0.000 2.435 27 c HA -0.079 4.491 4.570 -0.000 0.000 0.279 27 c C 1.720 175.835 174.090 0.042 0.000 1.321 27 c CA 1.122 57.431 56.329 -0.033 0.000 1.752 27 c CB -1.159 41.222 42.510 -0.215 0.000 1.959 27 c HN 0.765 nan 8.230 nan 0.000 0.500 28 N N -0.291 118.455 118.700 0.076 0.000 2.461 28 N HA -0.036 4.704 4.740 -0.000 0.000 0.188 28 N C 0.929 176.516 175.510 0.129 0.000 1.134 28 N CA 0.492 53.602 53.050 0.099 0.000 0.878 28 N CB -0.620 37.905 38.487 0.063 0.000 0.972 28 N HN 0.386 nan 8.380 nan 0.000 0.456 29 K N 0.420 120.917 120.400 0.160 0.000 2.589 29 K HA 0.224 4.544 4.320 -0.000 0.000 0.204 29 K C 0.447 177.160 176.600 0.189 0.000 1.029 29 K CA 0.100 56.475 56.287 0.147 0.000 1.177 29 K CB 0.286 32.863 32.500 0.129 0.000 0.902 29 K HN 0.374 nan 8.250 nan 0.000 0.501 30 A N 0.347 123.291 122.820 0.206 0.000 2.508 30 A HA 0.180 4.500 4.320 -0.000 0.000 0.250 30 A C 1.232 178.889 177.584 0.122 0.000 1.208 30 A CA -0.212 51.927 52.037 0.170 0.000 0.960 30 A CB 0.114 19.192 19.000 0.131 0.000 1.099 30 A HN 0.312 nan 8.150 nan 0.000 0.542 31 I N -3.358 117.290 120.570 0.130 0.000 4.160 31 I HA 0.282 4.452 4.170 -0.000 0.000 0.325 31 I C 0.642 176.759 176.117 -0.001 0.000 1.455 31 I CA 0.156 61.498 61.300 0.070 0.000 1.142 31 I CB 0.561 38.657 38.000 0.160 0.000 1.262 31 I HN 0.003 nan 8.210 nan 0.000 0.483 32 D N 1.579 121.991 120.400 0.020 0.000 2.289 32 D HA 0.113 4.753 4.640 -0.000 0.000 0.207 32 D C 1.746 178.033 176.300 -0.023 0.000 0.966 32 D CA 1.188 55.187 54.000 -0.001 0.000 0.868 32 D CB 0.011 40.822 40.800 0.018 0.000 0.943 32 D HN 0.475 nan 8.370 nan 0.000 0.514 33 G N -0.162 108.625 108.800 -0.022 0.000 2.176 33 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.232 33 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.232 33 G C -0.035 174.860 174.900 -0.008 0.000 0.986 33 G CA -0.026 45.056 45.100 -0.030 0.000 0.643 33 G HN 0.540 nan 8.290 nan 0.000 0.522 34 N N 0.498 119.203 118.700 0.009 0.000 2.434 34 N HA 0.402 5.142 4.740 -0.000 0.000 0.272 34 N C 1.050 176.584 175.510 0.039 0.000 1.040 34 N CA -0.277 52.785 53.050 0.020 0.000 0.956 34 N CB 1.354 39.854 38.487 0.021 0.000 1.108 34 N HN 0.293 nan 8.380 nan 0.000 0.481 35 K N 1.920 122.342 120.400 0.037 0.000 2.366 35 K HA 0.024 4.344 4.320 -0.000 0.000 0.198 35 K C -0.075 176.575 176.600 0.085 0.000 1.044 35 K CA 0.864 57.180 56.287 0.048 0.000 0.973 35 K CB 0.406 32.924 32.500 0.029 0.000 0.767 35 K HN 0.478 nan 8.250 nan 0.000 0.475 36 D N 0.268 120.720 120.400 0.086 0.000 2.346 36 D HA -0.041 4.599 4.640 -0.000 0.000 0.206 36 D C 0.454 176.855 176.300 0.168 0.000 1.001 36 D CA 0.577 54.650 54.000 0.121 0.000 0.871 36 D CB 0.331 41.176 40.800 0.075 0.000 0.943 36 D HN 0.284 nan 8.370 nan 0.000 0.518 37 T N -0.792 113.832 114.554 0.115 0.000 2.934 37 T HA 0.604 4.954 4.350 -0.000 0.000 0.283 37 T C -0.124 174.683 174.700 0.178 0.000 1.005 37 T CA -0.883 61.232 62.100 0.026 0.000 1.041 37 T CB 1.304 70.159 68.868 -0.021 0.000 1.042 37 T HN 0.038 nan 8.240 nan 0.000 0.505 38 F N -1.695 118.317 119.950 0.103 0.000 2.654 38 F HA 0.703 5.230 4.527 -0.000 0.000 0.308 38 F C -1.317 174.618 175.800 0.226 0.000 1.108 38 F CA -2.161 55.925 58.000 0.143 0.000 0.957 38 F CB 0.776 39.837 39.000 0.102 0.000 1.309 38 F HN 0.841 nan 8.300 nan 0.000 0.446 39 W N 3.882 125.366 121.300 0.308 0.000 2.316 39 W HA 0.616 5.276 4.660 -0.000 0.000 0.321 39 W C -1.416 175.314 176.519 0.352 0.000 1.203 39 W CA -0.224 57.273 57.345 0.253 0.000 1.214 39 W CB 0.520 30.118 29.460 0.230 0.000 1.169 39 W HN 0.787 nan 8.180 nan 0.000 0.561 40 H N 3.043 121.897 119.070 -0.360 0.000 2.974 40 H HA 0.239 4.795 4.556 -0.000 0.000 0.366 40 H C -0.278 174.749 175.328 -0.502 0.000 1.155 40 H CA -0.080 55.712 56.048 -0.426 0.000 1.186 40 H CB 1.922 31.715 29.762 0.052 0.000 1.799 40 H HN 0.513 nan 8.280 nan 0.000 0.541 41 T N 0.552 114.870 114.554 -0.394 0.000 2.754 41 T HA 0.268 4.618 4.350 -0.000 0.000 0.286 41 T C 0.515 175.384 174.700 0.282 0.000 0.997 41 T CA -0.627 61.333 62.100 -0.233 0.000 0.982 41 T CB 0.390 68.927 68.868 -0.553 0.000 1.027 41 T HN 0.185 nan 8.240 nan 0.000 0.529 42 F N 2.554 122.632 119.950 0.213 0.000 2.612 42 F HA 0.321 4.848 4.527 -0.000 0.000 0.389 42 F C 0.319 176.356 175.800 0.395 0.000 1.055 42 F CA -0.589 57.543 58.000 0.220 0.000 1.232 42 F CB -1.073 38.023 39.000 0.160 0.000 1.044 42 F HN 0.676 nan 8.300 nan 0.000 0.560 43 Y N 0.051 120.557 120.300 0.343 0.000 2.571 43 Y HA 0.731 5.280 4.550 -0.000 0.000 0.341 43 Y C 0.303 176.266 175.900 0.104 0.000 1.076 43 Y CA -1.119 57.127 58.100 0.244 0.000 1.029 43 Y CB 1.201 39.628 38.460 -0.055 0.000 1.308 43 Y HN 0.873 nan 8.280 nan 0.000 0.461 44 G N 1.425 110.367 108.800 0.236 0.000 2.687 44 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.303 44 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.303 44 G C 1.181 176.084 174.900 0.005 0.000 1.209 44 G CA 1.348 46.497 45.100 0.082 0.000 0.968 44 G HN 1.806 nan 8.290 nan 0.000 0.549 45 A N 0.329 123.099 122.820 -0.083 0.000 2.015 45 A HA 0.128 4.448 4.320 -0.000 0.000 0.219 45 A C 1.894 179.402 177.584 -0.126 0.000 1.163 45 A CA 2.205 54.186 52.037 -0.094 0.000 0.646 45 A CB -0.442 18.489 19.000 -0.115 0.000 0.806 45 A HN 0.730 nan 8.150 nan 0.000 0.448 46 N N -0.889 117.700 118.700 -0.185 0.000 2.336 46 N HA 0.392 5.132 4.740 -0.000 0.000 0.189 46 N C 0.622 176.034 175.510 -0.165 0.000 1.113 46 N CA 0.583 53.442 53.050 -0.318 0.000 0.858 46 N CB 0.428 38.486 38.487 -0.716 0.000 0.970 46 N HN 0.666 nan 8.380 nan 0.000 0.471 47 G N 0.544 109.338 108.800 -0.011 0.000 2.757 47 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.638 47 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.638 47 G C -1.617 173.411 174.900 0.215 0.000 1.344 47 G CA -0.820 44.330 45.100 0.083 0.000 0.855 47 G HN 0.178 nan 8.290 nan 0.000 0.537 48 D N 1.933 122.461 120.400 0.214 0.000 2.434 48 D HA 0.348 4.987 4.640 -0.000 0.000 0.275 48 D C -2.120 174.276 176.300 0.160 0.000 1.172 48 D CA -0.695 53.462 54.000 0.261 0.000 0.916 48 D CB 1.607 42.531 40.800 0.206 0.000 1.041 48 D HN 0.374 nan 8.370 nan 0.000 0.501 49 P HA 0.156 nan 4.420 nan 0.000 0.276 49 P C -0.115 177.279 177.300 0.158 0.000 1.235 49 P CA -0.292 62.936 63.100 0.213 0.000 0.772 49 P CB 1.662 33.563 31.700 0.335 0.000 0.871 50 K N 4.181 124.585 120.400 0.006 0.000 2.168 50 K HA 0.316 4.636 4.320 -0.000 0.000 0.258 50 K C -2.069 174.364 176.600 -0.277 0.000 1.010 50 K CA -1.471 54.755 56.287 -0.102 0.000 0.929 50 K CB -0.429 32.013 32.500 -0.097 0.000 0.998 50 K HN 0.361 nan 8.250 nan 0.000 0.479 51 P HA 0.106 nan 4.420 nan 0.000 0.272 51 P C -2.474 174.677 177.300 -0.248 0.000 1.240 51 P CA -1.044 61.796 63.100 -0.434 0.000 0.791 51 P CB -0.098 31.507 31.700 -0.157 0.000 0.978 52 P HA 0.091 nan 4.420 nan 0.000 0.267 52 P C -0.726 176.457 177.300 -0.196 0.000 1.205 52 P CA 0.724 63.741 63.100 -0.139 0.000 0.765 52 P CB 0.220 31.895 31.700 -0.043 0.000 0.828 53 H N 0.967 120.107 119.070 0.116 0.000 2.524 53 H HA 0.469 5.025 4.556 -0.000 0.000 0.353 53 H C -0.086 175.384 175.328 0.236 0.000 1.136 53 H CA -0.183 55.975 56.048 0.185 0.000 1.193 53 H CB 1.681 31.565 29.762 0.203 0.000 1.558 53 H HN 0.258 nan 8.280 nan 0.000 0.515 54 T N 2.285 117.061 114.554 0.369 0.000 2.887 54 T HA 0.304 4.654 4.350 -0.000 0.000 0.288 54 T C -1.085 173.714 174.700 0.166 0.000 1.021 54 T CA -0.643 61.589 62.100 0.219 0.000 1.000 54 T CB 1.558 70.457 68.868 0.051 0.000 1.034 54 T HN 0.439 nan 8.240 nan 0.000 0.467 55 Y N 1.483 121.744 120.300 -0.065 0.000 2.329 55 Y HA 0.473 5.023 4.550 -0.000 0.000 0.328 55 Y C -0.554 175.254 175.900 -0.154 0.000 0.992 55 Y CA -0.454 57.498 58.100 -0.246 0.000 1.151 55 Y CB 1.408 39.679 38.460 -0.314 0.000 1.150 55 Y HN 0.634 nan 8.280 nan 0.000 0.450 56 T N 7.182 121.540 114.554 -0.325 0.000 2.797 56 T HA 0.604 4.954 4.350 -0.000 0.000 0.279 56 T C -0.523 174.059 174.700 -0.197 0.000 0.991 56 T CA -0.462 61.545 62.100 -0.155 0.000 0.979 56 T CB 0.877 69.701 68.868 -0.072 0.000 0.943 56 T HN 0.453 nan 8.240 nan 0.000 0.444 57 I N 2.364 122.890 120.570 -0.072 0.000 2.530 57 I HA 0.428 4.598 4.170 -0.000 0.000 0.297 57 I C -0.585 175.391 176.117 -0.234 0.000 1.011 57 I CA -0.792 60.373 61.300 -0.225 0.000 1.107 57 I CB 1.913 39.676 38.000 -0.396 0.000 1.285 57 I HN 0.491 nan 8.210 nan 0.000 0.436 58 D N 6.064 126.239 120.400 -0.377 0.000 2.462 58 D HA 0.369 5.009 4.640 -0.000 0.000 0.245 58 D C 0.156 176.113 176.300 -0.572 0.000 1.122 58 D CA -0.391 53.299 54.000 -0.516 0.000 0.864 58 D CB 1.298 41.905 40.800 -0.323 0.000 1.098 58 D HN 0.421 nan 8.370 nan 0.000 0.541 59 M N 2.669 121.894 119.600 -0.626 0.000 2.563 59 M HA 0.027 4.507 4.480 -0.000 0.000 0.231 59 M C 0.923 177.125 176.300 -0.163 0.000 1.136 59 M CA -0.088 54.940 55.300 -0.453 0.000 1.026 59 M CB 0.091 32.490 32.600 -0.335 0.000 1.597 59 M HN 0.300 nan 8.290 nan 0.000 0.495 60 K N -1.169 119.091 120.400 -0.233 0.000 4.770 60 K HA -0.177 4.143 4.320 -0.000 0.000 0.417 60 K C 0.526 177.062 176.600 -0.106 0.000 0.474 60 K CA 2.270 58.475 56.287 -0.137 0.000 1.797 60 K CB -2.049 30.431 32.500 -0.033 0.000 1.001 60 K HN 0.583 nan 8.250 nan 0.000 0.567 61 T N -1.367 113.142 114.554 -0.075 0.000 2.916 61 T HA 0.545 4.894 4.350 -0.000 0.000 0.292 61 T C -0.072 174.600 174.700 -0.047 0.000 1.064 61 T CA -0.656 61.418 62.100 -0.043 0.000 1.011 61 T CB 2.377 71.242 68.868 -0.004 0.000 1.152 61 T HN 0.020 nan 8.240 nan 0.000 0.510 62 T N 3.151 117.689 114.554 -0.027 0.000 2.814 62 T HA 0.352 4.702 4.350 -0.000 0.000 0.297 62 T C -0.256 174.443 174.700 -0.002 0.000 0.956 62 T CA -0.528 61.560 62.100 -0.021 0.000 1.123 62 T CB 0.318 69.176 68.868 -0.016 0.000 0.902 62 T HN 0.460 nan 8.240 nan 0.000 0.528 63 Q N 2.259 122.061 119.800 0.003 0.000 2.387 63 Q HA 0.344 4.684 4.340 -0.000 0.000 0.273 63 Q C -0.420 175.591 176.000 0.018 0.000 1.089 63 Q CA -0.912 54.908 55.803 0.028 0.000 0.824 63 Q CB 1.457 30.230 28.738 0.059 0.000 1.367 63 Q HN 0.457 nan 8.270 nan 0.000 0.443 64 N N 1.159 119.877 118.700 0.030 0.000 3.124 64 N HA 0.107 4.847 4.740 -0.000 0.000 0.284 64 N C -0.501 175.045 175.510 0.060 0.000 1.209 64 N CA 0.028 53.089 53.050 0.019 0.000 1.149 64 N CB 0.220 38.741 38.487 0.057 0.000 1.434 64 N HN 0.232 nan 8.380 nan 0.000 0.529 65 V N 2.486 122.450 119.914 0.084 0.000 2.540 65 V HA -0.017 4.103 4.120 -0.000 0.000 0.297 65 V C 1.302 177.479 176.094 0.137 0.000 1.024 65 V CA -0.003 62.384 62.300 0.145 0.000 1.105 65 V CB 0.396 32.361 31.823 0.237 0.000 0.938 65 V HN 0.613 nan 8.190 nan 0.000 0.482 66 N N 2.587 121.271 118.700 -0.025 0.000 2.143 66 N HA 0.353 5.093 4.740 -0.000 0.000 0.229 66 N C -0.021 175.036 175.510 -0.755 0.000 1.294 66 N CA 0.509 53.408 53.050 -0.252 0.000 0.883 66 N CB 1.539 39.965 38.487 -0.100 0.000 1.148 66 N HN 0.834 nan 8.380 nan 0.000 0.511 67 G N 0.133 108.487 108.800 -0.744 0.000 2.325 67 G HA2 0.463 4.423 3.960 -0.000 0.000 0.297 67 G HA3 0.463 4.423 3.960 -0.000 0.000 0.297 67 G C -2.321 172.653 174.900 0.123 0.000 1.448 67 G CA -0.543 44.190 45.100 -0.611 0.000 0.838 67 G HN 0.460 nan 8.290 nan 0.000 0.579 68 L N -1.610 119.807 121.223 0.322 0.000 2.479 68 L HA 1.005 5.345 4.340 -0.000 0.000 0.255 68 L C -0.086 177.058 176.870 0.456 0.000 1.026 68 L CA -0.934 54.187 54.840 0.468 0.000 0.842 68 L CB 1.764 44.057 42.059 0.390 0.000 1.444 68 L HN 1.320 nan 8.230 nan 0.000 0.409 69 S N 1.446 117.359 115.700 0.356 0.000 2.542 69 S HA 0.893 5.363 4.470 -0.000 0.000 0.293 69 S C -0.678 173.850 174.600 -0.119 0.000 1.089 69 S CA -0.642 57.575 58.200 0.029 0.000 0.961 69 S CB 1.903 65.157 63.200 0.090 0.000 1.062 69 S HN 0.997 nan 8.310 nan 0.000 0.483 70 M N 3.265 122.635 119.600 -0.382 0.000 2.124 70 M HA 0.461 4.941 4.480 -0.000 0.000 0.280 70 M C -2.289 173.756 176.300 -0.424 0.000 0.954 70 M CA -0.933 54.154 55.300 -0.354 0.000 0.958 70 M CB 1.299 33.645 32.600 -0.424 0.000 1.611 70 M HN 0.898 nan 8.290 nan 0.000 0.449 71 L N 8.866 129.934 121.223 -0.257 0.000 2.265 71 L HA 0.667 5.007 4.340 -0.000 0.000 0.289 71 L C -2.519 174.265 176.870 -0.143 0.000 1.033 71 L CA -1.099 53.610 54.840 -0.218 0.000 0.814 71 L CB 1.307 43.286 42.059 -0.133 0.000 1.203 71 L HN 0.436 nan 8.230 nan 0.000 0.423 72 P HA 0.214 nan 4.420 nan 0.000 0.275 72 P C -1.301 175.989 177.300 -0.017 0.000 1.266 72 P CA -0.574 62.494 63.100 -0.054 0.000 0.793 72 P CB 0.327 31.972 31.700 -0.091 0.000 1.074 73 R N 1.063 121.543 120.500 -0.034 0.000 2.522 73 R HA 0.079 4.419 4.340 -0.000 0.000 0.284 73 R C 0.101 176.371 176.300 -0.049 0.000 1.032 73 R CA -0.019 55.969 56.100 -0.186 0.000 1.049 73 R CB -0.214 29.685 30.300 -0.668 0.000 0.956 73 R HN 0.364 nan 8.270 nan 0.000 0.422 74 Q N 2.079 121.870 119.800 -0.014 0.000 2.222 74 Q HA -0.023 4.317 4.340 -0.000 0.000 0.206 74 Q C -0.064 175.951 176.000 0.024 0.000 0.877 74 Q CA 0.299 56.114 55.803 0.021 0.000 0.958 74 Q CB 0.542 29.298 28.738 0.030 0.000 1.075 74 Q HN 0.779 nan 8.270 nan 0.000 0.483 75 D N -1.000 119.394 120.400 -0.010 0.000 2.328 75 D HA 0.072 4.712 4.640 -0.000 0.000 0.221 75 D C 1.162 177.450 176.300 -0.021 0.000 1.072 75 D CA 0.518 54.520 54.000 0.004 0.000 0.850 75 D CB 0.097 40.922 40.800 0.041 0.000 0.922 75 D HN 0.233 nan 8.370 nan 0.000 0.516 76 G N 0.544 109.338 108.800 -0.010 0.000 2.179 76 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.260 76 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.260 76 G C 0.002 174.858 174.900 -0.073 0.000 0.977 76 G CA 0.127 45.226 45.100 -0.002 0.000 0.641 76 G HN 0.618 nan 8.290 nan 0.000 0.533 77 N N -0.145 118.456 118.700 -0.165 0.000 2.456 77 N HA 0.404 5.144 4.740 -0.000 0.000 0.288 77 N C 1.387 176.573 175.510 -0.540 0.000 1.059 77 N CA -0.375 52.498 53.050 -0.295 0.000 0.946 77 N CB 0.545 38.855 38.487 -0.295 0.000 1.150 77 N HN 0.321 nan 8.380 nan 0.000 0.479 78 Q N 0.939 120.302 119.800 -0.729 0.000 2.311 78 Q HA 0.021 4.361 4.340 -0.000 0.000 0.203 78 Q C -0.338 175.038 176.000 -1.040 0.000 0.954 78 Q CA 0.452 55.425 55.803 -1.384 0.000 0.885 78 Q CB 0.050 28.186 28.738 -1.003 0.000 0.963 78 Q HN 0.558 nan 8.270 nan 0.000 0.471 79 N N 1.293 119.662 118.700 -0.553 0.000 2.381 79 N HA 0.001 4.741 4.740 -0.000 0.000 0.288 79 N C 0.553 175.903 175.510 -0.266 0.000 1.346 79 N CA 1.269 54.155 53.050 -0.274 0.000 0.970 79 N CB 0.310 38.587 38.487 -0.350 0.000 1.351 79 N HN 0.476 nan 8.380 nan 0.000 0.488 80 G N 0.654 109.362 108.800 -0.154 0.000 2.227 80 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.168 80 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.168 80 G C -0.615 174.304 174.900 0.031 0.000 1.006 80 G CA -0.806 44.212 45.100 -0.136 0.000 0.684 80 G HN 0.346 nan 8.290 nan 0.000 0.489 81 W N 1.699 122.964 121.300 -0.058 0.000 2.381 81 W HA 0.543 5.203 4.660 -0.000 0.000 0.321 81 W C 0.908 177.445 176.519 0.030 0.000 1.407 81 W CA -1.203 56.118 57.345 -0.040 0.000 1.274 81 W CB -0.232 29.195 29.460 -0.054 0.000 1.310 81 W HN 0.087 nan 8.180 nan 0.000 0.551 82 I N 4.490 125.236 120.570 0.293 0.000 2.517 82 I HA 0.081 4.250 4.170 -0.000 0.000 0.285 82 I C 1.329 177.642 176.117 0.327 0.000 1.106 82 I CA 0.409 61.891 61.300 0.303 0.000 1.402 82 I CB 0.241 38.470 38.000 0.381 0.000 1.399 82 I HN 0.557 nan 8.210 nan 0.000 0.535 83 G N 7.013 115.958 108.800 0.242 0.000 2.568 83 G HA2 0.161 4.121 3.960 -0.000 0.000 0.212 83 G HA3 0.161 4.121 3.960 -0.000 0.000 0.212 83 G C 0.491 175.514 174.900 0.205 0.000 1.821 83 G CA -0.407 44.819 45.100 0.209 0.000 0.904 83 G HN 0.478 nan 8.290 nan 0.000 0.566 84 R N 1.542 122.123 120.500 0.135 0.000 2.389 84 R HA 0.339 4.679 4.340 -0.000 0.000 0.295 84 R C -0.288 176.057 176.300 0.074 0.000 1.075 84 R CA -0.041 56.101 56.100 0.071 0.000 1.005 84 R CB 0.613 30.929 30.300 0.027 0.000 0.987 84 R HN 0.757 nan 8.270 nan 0.000 0.452 85 H N 0.003 118.957 119.070 -0.195 0.000 2.960 85 H HA 0.517 5.073 4.556 -0.000 0.000 0.338 85 H C -1.139 174.068 175.328 -0.201 0.000 1.261 85 H CA -1.161 54.761 56.048 -0.210 0.000 1.136 85 H CB 1.847 31.367 29.762 -0.403 0.000 1.875 85 H HN 0.512 nan 8.280 nan 0.000 0.550 86 E N 0.672 120.779 120.200 -0.155 0.000 2.304 86 E HA 0.431 4.781 4.350 -0.000 0.000 0.277 86 E C -1.435 175.049 176.600 -0.193 0.000 0.898 86 E CA -0.876 55.366 56.400 -0.263 0.000 0.764 86 E CB 3.428 32.994 29.700 -0.222 0.000 1.216 86 E HN 0.336 nan 8.360 nan 0.000 0.419 87 V N 3.488 123.219 119.914 -0.306 0.000 2.417 87 V HA 0.437 4.557 4.120 -0.000 0.000 0.291 87 V C -1.103 174.764 176.094 -0.379 0.000 1.024 87 V CA -0.651 61.545 62.300 -0.174 0.000 0.861 87 V CB 0.492 32.303 31.823 -0.020 0.000 0.985 87 V HN 0.571 nan 8.190 nan 0.000 0.436 88 Y N 4.310 124.587 120.300 -0.039 0.000 2.524 88 Y HA 0.771 5.321 4.550 -0.000 0.000 0.344 88 Y C -0.104 175.911 175.900 0.192 0.000 1.012 88 Y CA -0.897 57.228 58.100 0.042 0.000 1.068 88 Y CB 1.993 40.465 38.460 0.020 0.000 1.249 88 Y HN 0.391 nan 8.280 nan 0.000 0.468 89 L N 1.565 123.046 121.223 0.430 0.000 2.401 89 L HA 0.748 5.088 4.340 -0.000 0.000 0.266 89 L C -0.546 176.493 176.870 0.282 0.000 0.991 89 L CA -0.642 54.404 54.840 0.344 0.000 0.818 89 L CB 2.343 44.496 42.059 0.157 0.000 1.321 89 L HN 0.645 nan 8.230 nan 0.000 0.413 90 S N -0.731 115.050 115.700 0.135 0.000 2.596 90 S HA 0.497 4.967 4.470 -0.000 0.000 0.270 90 S C 0.168 174.739 174.600 -0.047 0.000 1.155 90 S CA 0.149 58.260 58.200 -0.148 0.000 0.827 90 S CB 1.932 64.664 63.200 -0.780 0.000 1.130 90 S HN 0.712 nan 8.310 nan 0.000 0.467 91 S N 0.778 116.414 115.700 -0.107 0.000 2.539 91 S HA 0.143 4.613 4.470 -0.000 0.000 0.226 91 S C 0.711 175.301 174.600 -0.016 0.000 1.054 91 S CA 0.781 58.975 58.200 -0.010 0.000 0.910 91 S CB -0.332 62.846 63.200 -0.037 0.000 0.818 91 S HN 0.767 nan 8.310 nan 0.000 0.490 92 D N 0.431 120.686 120.400 -0.241 0.000 2.394 92 D HA 0.405 5.045 4.640 -0.000 0.000 0.226 92 D C 1.546 177.397 176.300 -0.749 0.000 0.990 92 D CA 0.807 54.615 54.000 -0.320 0.000 0.902 92 D CB -0.606 40.030 40.800 -0.273 0.000 1.038 92 D HN 0.585 nan 8.370 nan 0.000 0.499 93 G N -1.075 107.009 108.800 -1.193 0.000 2.179 93 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.220 93 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.220 93 G C 1.015 175.326 174.900 -0.981 0.000 0.990 93 G CA 0.621 44.756 45.100 -1.609 0.000 0.646 93 G HN 0.391 nan 8.290 nan 0.000 0.517 94 T N -0.302 113.765 114.554 -0.812 0.000 3.075 94 T HA 0.207 4.557 4.350 -0.000 0.000 0.251 94 T C 0.644 175.036 174.700 -0.513 0.000 0.979 94 T CA 0.159 61.981 62.100 -0.463 0.000 1.033 94 T CB 0.233 68.941 68.868 -0.266 0.000 1.104 94 T HN 0.287 nan 8.240 nan 0.000 0.473 95 N N 0.943 119.307 118.700 -0.560 0.000 2.462 95 N HA 0.161 4.901 4.740 -0.000 0.000 0.242 95 N C -0.516 174.705 175.510 -0.481 0.000 1.010 95 N CA -0.124 52.705 53.050 -0.368 0.000 0.939 95 N CB 1.206 39.561 38.487 -0.220 0.000 1.127 95 N HN 0.399 nan 8.380 nan 0.000 0.509 96 W N 2.278 123.508 121.300 -0.116 0.000 2.574 96 W HA 0.207 4.867 4.660 -0.000 0.000 0.282 96 W C 1.669 178.207 176.519 0.033 0.000 1.197 96 W CA 0.853 58.149 57.345 -0.081 0.000 1.376 96 W CB -0.003 29.297 29.460 -0.267 0.000 1.091 96 W HN 0.682 nan 8.180 nan 0.000 0.569 97 G N 0.277 109.211 108.800 0.223 0.000 2.488 97 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.237 97 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.237 97 G C -0.210 174.870 174.900 0.301 0.000 1.209 97 G CA -0.257 44.962 45.100 0.197 0.000 0.929 97 G HN 0.027 nan 8.290 nan 0.000 0.578 98 S N 3.344 119.178 115.700 0.224 0.000 2.586 98 S HA 0.642 5.112 4.470 -0.000 0.000 0.274 98 S C -1.930 172.724 174.600 0.090 0.000 1.281 98 S CA -0.296 58.011 58.200 0.179 0.000 1.035 98 S CB 1.655 64.913 63.200 0.097 0.000 0.962 98 S HN 0.749 nan 8.310 nan 0.000 0.512 99 P HA 0.093 nan 4.420 nan 0.000 0.271 99 P C 0.890 178.028 177.300 -0.270 0.000 1.216 99 P CA -0.374 62.457 63.100 -0.448 0.000 0.771 99 P CB 0.709 32.039 31.700 -0.615 0.000 0.864 100 V N 0.164 119.865 119.914 -0.355 0.000 3.129 100 V HA 0.369 4.489 4.120 -0.000 0.000 0.259 100 V C 0.756 176.655 176.094 -0.325 0.000 1.116 100 V CA 0.993 63.063 62.300 -0.383 0.000 1.127 100 V CB -0.999 30.384 31.823 -0.733 0.000 0.742 100 V HN 0.695 nan 8.190 nan 0.000 0.474 101 A N 0.311 122.950 122.820 -0.302 0.000 2.513 101 A HA 0.782 5.102 4.320 -0.000 0.000 0.296 101 A C -0.401 177.046 177.584 -0.227 0.000 1.052 101 A CA 0.281 52.238 52.037 -0.134 0.000 0.714 101 A CB 1.448 20.499 19.000 0.085 0.000 1.279 101 A HN 1.100 nan 8.150 nan 0.000 0.397 102 S N 0.947 116.504 115.700 -0.239 0.000 2.537 102 S HA 0.985 5.455 4.470 -0.000 0.000 0.270 102 S C -0.070 174.309 174.600 -0.369 0.000 1.142 102 S CA 0.100 58.072 58.200 -0.380 0.000 0.870 102 S CB 1.442 64.505 63.200 -0.229 0.000 1.112 102 S HN 2.712 nan 8.310 nan 0.000 0.466 103 G N 0.949 109.409 108.800 -0.567 0.000 2.398 103 G HA2 0.467 4.427 3.960 -0.000 0.000 0.251 103 G HA3 0.467 4.427 3.960 -0.000 0.000 0.251 103 G C -1.436 173.281 174.900 -0.305 0.000 1.277 103 G CA -0.289 44.633 45.100 -0.295 0.000 0.927 103 G HN 1.248 nan 8.290 nan 0.000 0.477 104 S N -0.549 115.133 115.700 -0.031 0.000 2.536 104 S HA 0.742 5.212 4.470 -0.000 0.000 0.287 104 S C -1.458 173.274 174.600 0.221 0.000 1.101 104 S CA -0.503 57.761 58.200 0.105 0.000 0.950 104 S CB 1.621 64.905 63.200 0.140 0.000 1.056 104 S HN 0.500 nan 8.310 nan 0.000 0.481 105 W N 1.682 123.104 121.300 0.204 0.000 2.570 105 W HA 0.518 5.178 4.660 -0.000 0.000 0.337 105 W C -0.146 176.406 176.519 0.055 0.000 1.067 105 W CA -1.872 55.515 57.345 0.070 0.000 1.229 105 W CB 0.595 30.005 29.460 -0.083 0.000 1.355 105 W HN 0.588 nan 8.180 nan 0.000 0.555 106 F N 1.701 121.702 119.950 0.086 0.000 2.496 106 F HA 0.324 4.851 4.527 -0.000 0.000 0.344 106 F C 0.833 176.560 175.800 -0.121 0.000 1.155 106 F CA -0.083 57.895 58.000 -0.038 0.000 1.302 106 F CB 0.754 39.669 39.000 -0.143 0.000 1.159 106 F HN 0.340 nan 8.300 nan 0.000 0.595 107 A N 4.491 126.801 122.820 -0.850 0.000 3.004 107 A HA 0.402 4.722 4.320 -0.000 0.000 0.286 107 A C -1.047 176.085 177.584 -0.753 0.000 1.632 107 A CA -0.084 51.601 52.037 -0.586 0.000 1.339 107 A CB -1.321 17.479 19.000 -0.333 0.000 1.136 107 A HN 0.690 nan 8.150 nan 0.000 0.577 108 D N -1.309 118.492 120.400 -0.999 0.000 2.759 108 D HA 0.264 4.904 4.640 -0.000 0.000 0.321 108 D C 0.347 175.820 176.300 -1.378 0.000 1.267 108 D CA 0.167 53.532 54.000 -1.059 0.000 0.933 108 D CB 0.154 40.782 40.800 -0.287 0.000 1.431 108 D HN 0.127 nan 8.370 nan 0.000 0.504 109 S N -1.833 113.416 115.700 -0.752 0.000 2.577 109 S HA 0.192 4.662 4.470 -0.000 0.000 0.219 109 S C 0.726 175.134 174.600 -0.321 0.000 0.962 109 S CA 0.113 58.041 58.200 -0.453 0.000 0.921 109 S CB -1.131 62.028 63.200 -0.068 0.000 0.789 109 S HN 0.760 nan 8.310 nan 0.000 0.497 110 T N 0.550 114.899 114.554 -0.343 0.000 2.868 110 T HA 0.335 4.685 4.350 -0.000 0.000 0.292 110 T C 0.114 174.601 174.700 -0.354 0.000 1.028 110 T CA -0.423 61.512 62.100 -0.274 0.000 1.059 110 T CB 0.428 69.155 68.868 -0.234 0.000 0.991 110 T HN 0.160 nan 8.240 nan 0.000 0.531 111 T N 3.868 118.239 114.554 -0.305 0.000 2.817 111 T HA 0.200 4.550 4.350 -0.000 0.000 0.295 111 T C 0.276 174.586 174.700 -0.650 0.000 0.958 111 T CA -0.468 61.363 62.100 -0.447 0.000 1.157 111 T CB 0.075 68.733 68.868 -0.351 0.000 0.898 111 T HN 0.428 nan 8.240 nan 0.000 0.536 112 K N 2.855 122.712 120.400 -0.905 0.000 2.110 112 K HA 0.490 4.810 4.320 -0.000 0.000 0.263 112 K C -0.830 175.146 176.600 -1.040 0.000 0.975 112 K CA -0.500 55.110 56.287 -1.128 0.000 0.895 112 K CB 1.323 32.656 32.500 -1.944 0.000 1.060 112 K HN 0.571 nan 8.250 nan 0.000 0.448 113 Y N -0.885 119.240 120.300 -0.292 0.000 2.570 113 Y HA 0.333 4.883 4.550 -0.000 0.000 0.345 113 Y C -0.008 176.132 175.900 0.400 0.000 1.014 113 Y CA -0.785 57.351 58.100 0.059 0.000 1.063 113 Y CB 2.514 40.988 38.460 0.024 0.000 1.272 113 Y HN 0.355 nan 8.280 nan 0.000 0.477 114 S N 2.442 118.476 115.700 0.556 0.000 2.652 114 S HA 0.330 4.800 4.470 -0.000 0.000 0.252 114 S C -1.306 173.490 174.600 0.327 0.000 1.219 114 S CA -0.905 57.623 58.200 0.547 0.000 1.151 114 S CB 0.042 63.634 63.200 0.655 0.000 1.080 114 S HN 0.488 nan 8.310 nan 0.000 0.481 115 N N 3.530 122.366 118.700 0.228 0.000 2.425 115 N HA 0.611 5.351 4.740 -0.000 0.000 0.268 115 N C -0.730 174.832 175.510 0.087 0.000 0.991 115 N CA -0.177 52.872 53.050 -0.002 0.000 0.931 115 N CB 1.106 39.594 38.487 0.001 0.000 1.130 115 N HN 0.534 nan 8.380 nan 0.000 0.493 116 F N -1.177 118.825 119.950 0.086 0.000 2.691 116 F HA 0.568 5.095 4.527 -0.000 0.000 0.334 116 F C 0.286 176.114 175.800 0.046 0.000 1.107 116 F CA -1.285 56.754 58.000 0.066 0.000 0.991 116 F CB 0.587 39.638 39.000 0.084 0.000 1.400 116 F HN -0.042 nan 8.300 nan 0.000 0.503 117 E N 0.822 121.233 120.200 0.352 0.000 2.383 117 E HA 0.155 4.505 4.350 -0.000 0.000 0.264 117 E C -0.457 176.315 176.600 0.285 0.000 1.050 117 E CA -0.100 56.436 56.400 0.226 0.000 0.896 117 E CB 0.825 30.658 29.700 0.222 0.000 0.982 117 E HN 0.599 nan 8.360 nan 0.000 0.424 118 T N 3.528 118.197 114.554 0.192 0.000 2.829 118 T HA 0.120 4.470 4.350 -0.000 0.000 0.293 118 T C 0.596 175.413 174.700 0.194 0.000 0.970 118 T CA 0.398 62.619 62.100 0.202 0.000 1.168 118 T CB 0.267 69.267 68.868 0.220 0.000 0.911 118 T HN 0.247 nan 8.240 nan 0.000 0.535 119 R N 4.311 124.851 120.500 0.065 0.000 2.510 119 R HA 0.306 4.646 4.340 -0.000 0.000 0.287 119 R C -3.009 173.185 176.300 -0.177 0.000 1.084 119 R CA -2.094 53.937 56.100 -0.115 0.000 0.934 119 R CB 1.817 32.143 30.300 0.044 0.000 1.201 119 R HN 0.332 nan 8.270 nan 0.000 0.431 120 P HA 0.200 nan 4.420 nan 0.000 0.271 120 P C -1.355 175.891 177.300 -0.091 0.000 1.226 120 P CA 0.007 62.969 63.100 -0.230 0.000 0.765 120 P CB 1.576 33.087 31.700 -0.314 0.000 0.835 121 A N 3.436 126.242 122.820 -0.024 0.000 2.606 121 A HA 0.518 4.838 4.320 -0.000 0.000 0.293 121 A C 0.575 178.163 177.584 0.007 0.000 1.082 121 A CA -0.687 51.362 52.037 0.019 0.000 0.685 121 A CB 1.608 20.654 19.000 0.077 0.000 1.284 121 A HN 0.493 nan 8.150 nan 0.000 0.408 122 R N -0.729 119.778 120.500 0.011 0.000 2.221 122 R HA 0.243 4.583 4.340 -0.000 0.000 0.195 122 R C -0.903 175.250 176.300 -0.246 0.000 0.956 122 R CA 0.595 56.620 56.100 -0.125 0.000 1.064 122 R CB 0.217 30.430 30.300 -0.145 0.000 1.049 122 R HN 0.682 nan 8.270 nan 0.000 0.534 123 Y N 0.397 120.668 120.300 -0.049 0.000 2.335 123 Y HA 0.425 4.975 4.550 -0.000 0.000 0.338 123 Y C -0.469 175.545 175.900 0.191 0.000 0.977 123 Y CA -0.837 57.279 58.100 0.027 0.000 1.114 123 Y CB 2.162 40.611 38.460 -0.017 0.000 1.182 123 Y HN -0.294 nan 8.280 nan 0.000 0.463 124 V N 4.352 124.439 119.914 0.288 0.000 2.628 124 V HA 0.623 4.743 4.120 -0.000 0.000 0.306 124 V C -0.588 175.643 176.094 0.230 0.000 1.045 124 V CA -1.139 61.318 62.300 0.263 0.000 0.905 124 V CB 2.017 33.911 31.823 0.119 0.000 0.997 124 V HN 0.741 nan 8.190 nan 0.000 0.436 125 R N 3.330 123.932 120.500 0.170 0.000 2.574 125 R HA 0.693 5.033 4.340 -0.000 0.000 0.288 125 R C -2.215 174.142 176.300 0.095 0.000 1.004 125 R CA -0.731 55.360 56.100 -0.014 0.000 0.895 125 R CB 1.812 31.788 30.300 -0.541 0.000 1.191 125 R HN 0.603 nan 8.270 nan 0.000 0.444 126 L N 5.443 126.748 121.223 0.137 0.000 2.316 126 L HA 0.454 4.793 4.340 -0.000 0.000 0.280 126 L C -1.500 175.483 176.870 0.188 0.000 1.006 126 L CA -0.517 54.436 54.840 0.189 0.000 0.836 126 L CB 1.902 44.102 42.059 0.235 0.000 1.221 126 L HN 0.403 nan 8.230 nan 0.000 0.418 127 V N 4.706 124.722 119.914 0.170 0.000 2.398 127 V HA 0.711 4.830 4.120 -0.000 0.000 0.286 127 V C 0.450 176.651 176.094 0.178 0.000 1.026 127 V CA -0.488 61.910 62.300 0.164 0.000 0.868 127 V CB 1.274 33.186 31.823 0.147 0.000 0.982 127 V HN 0.891 nan 8.190 nan 0.000 0.443 128 A N 5.600 128.549 122.820 0.214 0.000 2.444 128 A HA 0.536 4.856 4.320 -0.000 0.000 0.332 128 A C 1.006 178.669 177.584 0.133 0.000 1.430 128 A CA -0.422 51.739 52.037 0.207 0.000 0.975 128 A CB -0.072 19.091 19.000 0.272 0.000 1.147 128 A HN 0.677 nan 8.150 nan 0.000 0.524 129 I N 1.488 122.112 120.570 0.089 0.000 2.202 129 I HA -0.072 4.098 4.170 -0.000 0.000 0.242 129 I C 1.587 177.721 176.117 0.028 0.000 1.091 129 I CA 2.096 63.420 61.300 0.040 0.000 1.368 129 I CB -1.487 36.526 38.000 0.021 0.000 1.058 129 I HN 0.683 nan 8.210 nan 0.000 0.410 130 T N -1.931 112.657 114.554 0.056 0.000 2.864 130 T HA 0.469 4.819 4.350 -0.000 0.000 0.289 130 T C -0.414 174.337 174.700 0.086 0.000 1.082 130 T CA -0.817 61.311 62.100 0.048 0.000 1.009 130 T CB 3.132 72.024 68.868 0.040 0.000 1.234 130 T HN 0.085 nan 8.240 nan 0.000 0.526 131 E N -0.387 119.854 120.200 0.068 0.000 2.202 131 E HA 0.535 4.885 4.350 -0.000 0.000 0.272 131 E C 1.209 177.869 176.600 0.100 0.000 0.951 131 E CA -0.587 55.870 56.400 0.095 0.000 0.813 131 E CB 1.872 31.605 29.700 0.055 0.000 1.151 131 E HN 0.828 nan 8.360 nan 0.000 0.398 132 A N 4.076 126.989 122.820 0.155 0.000 1.997 132 A HA -0.229 4.091 4.320 -0.000 0.000 0.221 132 A C 1.289 178.929 177.584 0.093 0.000 1.172 132 A CA 2.105 54.230 52.037 0.147 0.000 0.645 132 A CB -0.368 18.776 19.000 0.239 0.000 0.813 132 A HN 0.720 nan 8.150 nan 0.000 0.454 133 N N -2.188 116.556 118.700 0.073 0.000 2.187 133 N HA 0.375 5.115 4.740 -0.000 0.000 0.212 133 N C 0.683 176.195 175.510 0.003 0.000 1.152 133 N CA 0.576 53.644 53.050 0.031 0.000 0.872 133 N CB 0.769 39.263 38.487 0.012 0.000 1.025 133 N HN 0.553 nan 8.380 nan 0.000 0.514 134 G N 0.542 109.342 108.800 0.000 0.000 2.160 134 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.244 134 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.244 134 G C -0.194 174.655 174.900 -0.087 0.000 1.022 134 G CA -0.143 44.939 45.100 -0.031 0.000 0.741 134 G HN 0.156 nan 8.290 nan 0.000 0.508 135 Q N -0.998 118.736 119.800 -0.111 0.000 2.212 135 Q HA 0.386 4.726 4.340 -0.000 0.000 0.238 135 Q C -1.538 174.224 176.000 -0.396 0.000 0.955 135 Q CA -1.797 53.842 55.803 -0.273 0.000 0.906 135 Q CB 1.180 29.806 28.738 -0.187 0.000 1.215 135 Q HN 0.098 nan 8.270 nan 0.000 0.478 136 P HA -0.072 nan 4.420 nan 0.000 0.230 136 P C -0.414 176.624 177.300 -0.435 0.000 1.158 136 P CA 0.969 63.678 63.100 -0.651 0.000 0.769 136 P CB 0.273 31.499 31.700 -0.790 0.000 0.807 137 W N -0.872 120.456 121.300 0.047 0.000 2.485 137 W HA 0.521 5.181 4.660 -0.000 0.000 0.364 137 W C -0.078 176.350 176.519 -0.152 0.000 1.171 137 W CA -0.158 57.142 57.345 -0.075 0.000 1.304 137 W CB 0.071 29.437 29.460 -0.156 0.000 1.335 137 W HN -0.380 nan 8.180 nan 0.000 0.643 138 T N 1.335 115.789 114.554 -0.167 0.000 3.032 138 T HA 0.382 4.732 4.350 -0.000 0.000 0.312 138 T C -0.774 173.533 174.700 -0.655 0.000 1.078 138 T CA -0.601 61.340 62.100 -0.264 0.000 1.028 138 T CB 1.646 70.444 68.868 -0.116 0.000 1.091 138 T HN 0.375 nan 8.240 nan 0.000 0.457 139 S N 2.611 118.067 115.700 -0.408 0.000 2.548 139 S HA 0.850 5.320 4.470 -0.000 0.000 0.276 139 S C -1.146 173.437 174.600 -0.028 0.000 1.129 139 S CA -0.852 57.136 58.200 -0.352 0.000 0.931 139 S CB 1.073 64.024 63.200 -0.414 0.000 1.068 139 S HN 0.636 nan 8.310 nan 0.000 0.480 140 I N 2.154 122.824 120.570 0.165 0.000 2.569 140 I HA 0.551 4.721 4.170 -0.000 0.000 0.290 140 I C 0.839 177.086 176.117 0.217 0.000 1.088 140 I CA -1.057 60.349 61.300 0.177 0.000 1.047 140 I CB 2.104 40.210 38.000 0.176 0.000 1.237 140 I HN 0.867 nan 8.210 nan 0.000 0.421 141 A N 4.684 127.582 122.820 0.131 0.000 1.850 141 A HA 0.236 4.556 4.320 -0.000 0.000 0.212 141 A C 0.633 178.279 177.584 0.103 0.000 1.208 141 A CA 1.049 53.186 52.037 0.167 0.000 0.609 141 A CB 0.213 19.280 19.000 0.112 0.000 0.860 141 A HN 0.644 nan 8.150 nan 0.000 0.448 142 E N -0.884 119.333 120.200 0.027 0.000 2.275 142 E HA 0.521 4.870 4.350 -0.000 0.000 0.270 142 E C -1.786 174.789 176.600 -0.042 0.000 0.882 142 E CA -0.215 56.184 56.400 -0.002 0.000 0.758 142 E CB 1.988 31.681 29.700 -0.012 0.000 1.195 142 E HN 0.395 nan 8.360 nan 0.000 0.419 143 I N 3.050 123.601 120.570 -0.031 0.000 2.418 143 I HA 0.349 4.519 4.170 -0.000 0.000 0.287 143 I C -1.096 175.058 176.117 0.062 0.000 1.008 143 I CA -0.447 60.842 61.300 -0.019 0.000 1.104 143 I CB 0.675 38.599 38.000 -0.126 0.000 1.264 143 I HN 0.258 nan 8.210 nan 0.000 0.438 144 N N 6.049 124.765 118.700 0.027 0.000 2.272 144 N HA 0.525 5.265 4.740 -0.000 0.000 0.305 144 N C -1.408 174.062 175.510 -0.067 0.000 1.103 144 N CA -0.500 52.502 53.050 -0.080 0.000 0.791 144 N CB 2.936 41.218 38.487 -0.341 0.000 1.356 144 N HN 0.221 nan 8.380 nan 0.000 0.486 145 V N 2.257 122.155 119.914 -0.028 0.000 2.495 145 V HA 0.523 4.643 4.120 -0.000 0.000 0.298 145 V C -0.729 175.230 176.094 -0.226 0.000 1.031 145 V CA -0.605 61.723 62.300 0.047 0.000 0.871 145 V CB 0.898 32.862 31.823 0.235 0.000 0.988 145 V HN 0.465 nan 8.190 nan 0.000 0.432 146 F N 2.851 122.871 119.950 0.116 0.000 2.470 146 F HA 0.682 5.209 4.527 -0.000 0.000 0.329 146 F C 0.402 176.222 175.800 0.035 0.000 1.072 146 F CA -0.533 57.504 58.000 0.061 0.000 0.989 146 F CB 1.683 40.695 39.000 0.020 0.000 1.193 146 F HN 0.552 nan 8.300 nan 0.000 0.481 147 Q N 1.519 121.448 119.800 0.214 0.000 2.433 147 Q HA 0.895 5.235 4.340 -0.000 0.000 0.279 147 Q C -1.530 174.527 176.000 0.096 0.000 1.105 147 Q CA -1.401 54.478 55.803 0.127 0.000 0.815 147 Q CB 2.339 31.138 28.738 0.101 0.000 1.403 147 Q HN 0.726 nan 8.270 nan 0.000 0.435 148 A N 0.945 123.804 122.820 0.065 0.000 2.256 148 A HA 0.453 4.773 4.320 -0.000 0.000 0.318 148 A C 0.876 178.487 177.584 0.044 0.000 1.103 148 A CA -0.080 51.980 52.037 0.038 0.000 0.860 148 A CB 0.938 19.955 19.000 0.029 0.000 1.182 148 A HN 0.975 nan 8.150 nan 0.000 0.501 149 S N -0.250 115.465 115.700 0.026 0.000 2.406 149 S HA 0.094 4.564 4.470 -0.000 0.000 0.228 149 S C 0.775 175.398 174.600 0.040 0.000 1.020 149 S CA 1.031 59.248 58.200 0.028 0.000 0.965 149 S CB -0.626 62.582 63.200 0.012 0.000 0.798 149 S HN 1.897 nan 8.310 nan 0.000 0.488 150 S N -0.932 114.797 115.700 0.048 0.000 2.615 150 S HA 0.632 5.101 4.470 -0.000 0.000 0.269 150 S C -1.602 173.075 174.600 0.128 0.000 1.161 150 S CA -0.967 57.277 58.200 0.073 0.000 0.817 150 S CB 1.125 64.347 63.200 0.036 0.000 1.131 150 S HN 0.359 nan 8.310 nan 0.000 0.467 151 Y N 0.707 121.008 120.300 0.002 0.000 2.409 151 Y HA 0.707 5.257 4.550 -0.000 0.000 0.343 151 Y C -1.018 174.884 175.900 0.004 0.000 0.973 151 Y CA -0.283 57.820 58.100 0.006 0.000 1.064 151 Y CB 2.291 40.764 38.460 0.020 0.000 1.207 151 Y HN 0.898 nan 8.280 nan 0.000 0.452 152 T N 5.430 119.571 114.554 -0.688 0.000 2.937 152 T HA 0.668 5.018 4.350 -0.000 0.000 0.297 152 T C -0.668 173.534 174.700 -0.830 0.000 0.991 152 T CA -0.547 61.206 62.100 -0.577 0.000 0.990 152 T CB 1.019 69.731 68.868 -0.260 0.000 0.991 152 T HN 0.878 nan 8.240 nan 0.000 0.440 153 A N 5.159 127.556 122.820 -0.705 0.000 2.511 153 A HA 0.533 4.853 4.320 -0.000 0.000 0.242 153 A C -1.698 175.770 177.584 -0.194 0.000 1.069 153 A CA -1.002 50.790 52.037 -0.409 0.000 0.763 153 A CB -0.445 18.459 19.000 -0.160 0.000 1.001 153 A HN 0.604 nan 8.150 nan 0.000 0.498 154 P HA 0.046 nan 4.420 nan 0.000 0.267 154 P C -0.631 176.638 177.300 -0.051 0.000 1.205 154 P CA 0.104 63.180 63.100 -0.040 0.000 0.765 154 P CB 0.421 32.125 31.700 0.006 0.000 0.828 155 Q N 3.786 123.564 119.800 -0.037 0.000 2.300 155 Q HA 0.120 4.460 4.340 -0.000 0.000 0.280 155 Q C -1.966 173.999 176.000 -0.058 0.000 1.033 155 Q CA -1.287 54.493 55.803 -0.038 0.000 0.903 155 Q CB -0.281 28.447 28.738 -0.017 0.000 1.195 155 Q HN 0.363 nan 8.270 nan 0.000 0.386 156 P HA -0.009 nan 4.420 nan 0.000 0.267 156 P C 0.391 177.641 177.300 -0.083 0.000 1.205 156 P CA 0.702 63.747 63.100 -0.092 0.000 0.765 156 P CB 0.622 32.282 31.700 -0.066 0.000 0.828 157 G N 2.389 111.118 108.800 -0.117 0.000 2.176 157 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.253 157 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.253 157 G C 0.359 175.209 174.900 -0.083 0.000 0.979 157 G CA -0.123 44.921 45.100 -0.093 0.000 0.641 157 G HN 0.509 nan 8.290 nan 0.000 0.530 158 L N 0.491 121.671 121.223 -0.072 0.000 3.066 158 L HA 0.525 4.865 4.340 -0.000 0.000 0.265 158 L C 1.397 178.288 176.870 0.035 0.000 1.232 158 L CA 0.133 54.974 54.840 0.001 0.000 1.031 158 L CB -0.009 42.077 42.059 0.044 0.000 1.379 158 L HN 1.056 nan 8.230 nan 0.000 0.563 159 G N 1.080 109.800 108.800 -0.133 0.000 2.796 159 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.571 159 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.571 159 G C -0.808 173.911 174.900 -0.302 0.000 1.370 159 G CA -0.873 44.029 45.100 -0.330 0.000 0.856 159 G HN 0.150 nan 8.290 nan 0.000 0.538 160 R N -1.313 118.901 120.500 -0.477 0.000 2.673 160 R HA 0.501 4.841 4.340 -0.000 0.000 0.281 160 R C -1.327 174.877 176.300 -0.160 0.000 0.991 160 R CA -0.670 55.313 56.100 -0.195 0.000 0.896 160 R CB 1.744 31.959 30.300 -0.143 0.000 1.201 160 R HN 0.550 nan 8.270 nan 0.000 0.457 161 W N 0.571 121.937 121.300 0.110 0.000 2.478 161 W HA 0.596 5.256 4.660 -0.000 0.000 0.318 161 W C 0.466 177.052 176.519 0.111 0.000 1.062 161 W CA 0.174 57.629 57.345 0.184 0.000 1.210 161 W CB 2.258 31.850 29.460 0.220 0.000 1.325 161 W HN 0.848 nan 8.180 nan 0.000 0.496 162 G N 3.782 112.808 108.800 0.376 0.000 2.375 162 G HA2 0.050 4.010 3.960 -0.000 0.000 0.663 162 G HA3 0.050 4.010 3.960 -0.000 0.000 0.663 162 G C -3.049 171.938 174.900 0.145 0.000 1.391 162 G CA -1.433 43.808 45.100 0.234 0.000 0.949 162 G HN 0.246 nan 8.290 nan 0.000 0.646 163 P HA 0.541 nan 4.420 nan 0.000 0.279 163 P C -0.162 177.176 177.300 0.064 0.000 1.276 163 P CA -0.113 63.031 63.100 0.073 0.000 0.801 163 P CB 1.037 32.752 31.700 0.024 0.000 1.127 164 T N 1.104 115.690 114.554 0.054 0.000 2.845 164 T HA 0.380 4.730 4.350 -0.000 0.000 0.288 164 T C 0.162 174.836 174.700 -0.043 0.000 0.980 164 T CA -0.189 61.935 62.100 0.042 0.000 1.071 164 T CB 0.099 69.061 68.868 0.157 0.000 0.941 164 T HN 0.156 nan 8.240 nan 0.000 0.487 165 I N 3.685 124.179 120.570 -0.127 0.000 2.330 165 I HA 0.259 4.429 4.170 -0.000 0.000 0.286 165 I C 0.008 176.085 176.117 -0.068 0.000 1.025 165 I CA -0.987 60.193 61.300 -0.201 0.000 1.197 165 I CB 0.943 38.641 38.000 -0.502 0.000 1.358 165 I HN 0.522 nan 8.210 nan 0.000 0.467 166 D N 7.430 127.823 120.400 -0.012 0.000 2.348 166 D HA 0.445 5.085 4.640 -0.000 0.000 0.253 166 D C 0.012 176.399 176.300 0.145 0.000 1.161 166 D CA 0.094 54.170 54.000 0.127 0.000 0.876 166 D CB 1.880 42.771 40.800 0.152 0.000 1.160 166 D HN 0.311 nan 8.370 nan 0.000 0.459 167 L N 3.689 125.066 121.223 0.256 0.000 2.341 167 L HA 0.335 4.675 4.340 -0.000 0.000 0.267 167 L C -1.480 175.612 176.870 0.370 0.000 1.009 167 L CA -1.778 53.229 54.840 0.278 0.000 0.819 167 L CB 2.713 44.920 42.059 0.247 0.000 1.323 167 L HN 0.149 nan 8.230 nan 0.000 0.425 168 P HA 0.017 nan 4.420 nan 0.000 0.236 168 P C -0.072 177.440 177.300 0.353 0.000 1.177 168 P CA 0.856 64.190 63.100 0.389 0.000 0.773 168 P CB 0.337 32.299 31.700 0.438 0.000 0.878 169 I N -4.804 115.980 120.570 0.357 0.000 3.206 169 I HA 0.543 4.713 4.170 -0.000 0.000 0.313 169 I C -0.796 175.451 176.117 0.215 0.000 1.103 169 I CA -1.711 59.751 61.300 0.269 0.000 0.985 169 I CB 2.236 40.329 38.000 0.153 0.000 1.240 169 I HN -0.489 nan 8.210 nan 0.000 0.464 170 V N 3.106 123.005 119.914 -0.025 0.000 2.318 170 V HA 0.347 4.467 4.120 -0.000 0.000 0.271 170 V C -2.156 173.897 176.094 -0.070 0.000 1.030 170 V CA -1.370 60.830 62.300 -0.166 0.000 0.844 170 V CB 0.841 32.450 31.823 -0.357 0.000 1.015 170 V HN 0.603 nan 8.190 nan 0.000 0.460 171 P HA 0.174 nan 4.420 nan 0.000 0.263 171 P C 0.482 177.714 177.300 -0.113 0.000 1.601 171 P CA 0.004 63.086 63.100 -0.029 0.000 1.161 171 P CB 1.122 32.857 31.700 0.058 0.000 1.730 172 A N 3.153 125.872 122.820 -0.169 0.000 2.123 172 A HA 0.411 4.731 4.320 -0.000 0.000 0.214 172 A C 1.084 178.486 177.584 -0.303 0.000 1.152 172 A CA 0.736 52.627 52.037 -0.244 0.000 0.728 172 A CB 0.034 18.864 19.000 -0.285 0.000 0.814 172 A HN 0.545 nan 8.150 nan 0.000 0.464 173 A N -1.271 121.281 122.820 -0.446 0.000 2.486 173 A HA 0.794 5.114 4.320 -0.000 0.000 0.300 173 A C -0.480 176.597 177.584 -0.846 0.000 1.048 173 A CA 0.113 51.689 52.037 -0.767 0.000 0.696 173 A CB 1.139 19.351 19.000 -1.313 0.000 1.278 173 A HN 1.559 nan 8.150 nan 0.000 0.405 174 A N 0.185 122.612 122.820 -0.655 0.000 2.609 174 A HA 1.054 5.374 4.320 -0.000 0.000 0.291 174 A C -0.605 176.870 177.584 -0.181 0.000 1.096 174 A CA -0.037 51.786 52.037 -0.356 0.000 0.684 174 A CB 1.257 20.216 19.000 -0.069 0.000 1.282 174 A HN 2.712 nan 8.150 nan 0.000 0.412 175 A N 0.208 123.024 122.820 -0.006 0.000 2.589 175 A HA 0.697 5.017 4.320 -0.000 0.000 0.296 175 A C -1.374 176.248 177.584 0.063 0.000 1.062 175 A CA -0.419 51.667 52.037 0.083 0.000 0.686 175 A CB 0.592 19.708 19.000 0.194 0.000 1.282 175 A HN 0.976 nan 8.150 nan 0.000 0.404 176 I N 1.091 121.708 120.570 0.080 0.000 2.385 176 I HA 0.295 4.465 4.170 -0.000 0.000 0.294 176 I C 0.210 176.303 176.117 -0.040 0.000 0.988 176 I CA 0.016 61.347 61.300 0.053 0.000 1.265 176 I CB 1.588 39.705 38.000 0.195 0.000 1.388 176 I HN 0.620 nan 8.210 nan 0.000 0.480 177 E N 7.341 127.496 120.200 -0.075 0.000 2.044 177 E HA 0.154 4.504 4.350 -0.000 0.000 0.282 177 E C -1.839 174.563 176.600 -0.331 0.000 1.031 177 E CA -1.450 54.881 56.400 -0.115 0.000 0.824 177 E CB 0.792 30.489 29.700 -0.004 0.000 1.076 177 E HN 0.386 nan 8.360 nan 0.000 0.395 178 P HA -0.205 nan 4.420 nan 0.000 0.216 178 P C 1.502 178.452 177.300 -0.583 0.000 1.153 178 P CA 1.410 63.894 63.100 -1.026 0.000 0.848 178 P CB 0.131 30.900 31.700 -1.552 0.000 0.787 179 T N -3.628 110.620 114.554 -0.510 0.000 2.995 179 T HA -0.063 4.287 4.350 -0.000 0.000 0.269 179 T C 1.781 176.381 174.700 -0.167 0.000 1.091 179 T CA 1.492 63.420 62.100 -0.286 0.000 1.128 179 T CB -0.903 67.821 68.868 -0.239 0.000 0.891 179 T HN 0.192 nan 8.240 nan 0.000 0.492 180 S N -0.248 115.356 115.700 -0.159 0.000 2.524 180 S HA 0.515 4.985 4.470 -0.000 0.000 0.222 180 S C 1.974 176.516 174.600 -0.097 0.000 1.040 180 S CA 0.494 58.632 58.200 -0.104 0.000 0.915 180 S CB -0.120 63.034 63.200 -0.078 0.000 0.831 180 S HN 1.146 nan 8.310 nan 0.000 0.492 181 G N 1.760 110.497 108.800 -0.104 0.000 2.176 181 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.253 181 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.253 181 G C 0.153 175.003 174.900 -0.083 0.000 0.979 181 G CA 0.015 45.078 45.100 -0.063 0.000 0.641 181 G HN 0.593 nan 8.290 nan 0.000 0.530 182 R N -0.430 120.013 120.500 -0.095 0.000 2.615 182 R HA 0.501 4.841 4.340 -0.000 0.000 0.270 182 R C -0.015 176.249 176.300 -0.061 0.000 1.081 182 R CA -0.303 55.737 56.100 -0.099 0.000 1.154 182 R CB 1.228 31.488 30.300 -0.066 0.000 1.063 182 R HN 0.083 nan 8.270 nan 0.000 0.519 183 V N 3.837 123.718 119.914 -0.055 0.000 2.318 183 V HA 0.136 4.256 4.120 -0.000 0.000 0.271 183 V C -0.352 175.742 176.094 0.001 0.000 1.030 183 V CA -0.649 61.601 62.300 -0.084 0.000 0.844 183 V CB 0.995 32.616 31.823 -0.337 0.000 1.015 183 V HN 0.428 nan 8.190 nan 0.000 0.460 184 L N 7.183 128.420 121.223 0.023 0.000 2.290 184 L HA 0.616 4.956 4.340 -0.000 0.000 0.284 184 L C -0.210 176.773 176.870 0.189 0.000 1.078 184 L CA 0.646 55.545 54.840 0.098 0.000 0.815 184 L CB 0.800 42.852 42.059 -0.011 0.000 1.162 184 L HN 0.619 nan 8.230 nan 0.000 0.435 185 M N 5.098 124.849 119.600 0.252 0.000 2.591 185 M HA 0.571 5.051 4.480 -0.000 0.000 0.306 185 M C -1.581 174.948 176.300 0.382 0.000 1.190 185 M CA -0.378 55.046 55.300 0.206 0.000 0.889 185 M CB 2.118 34.822 32.600 0.173 0.000 1.728 185 M HN 0.715 nan 8.290 nan 0.000 0.458 186 W N 0.117 121.466 121.300 0.081 0.000 3.167 186 W HA 0.781 5.441 4.660 -0.000 0.000 0.324 186 W C -0.519 176.027 176.519 0.045 0.000 1.230 186 W CA -0.571 56.806 57.345 0.053 0.000 1.184 186 W CB 0.291 29.764 29.460 0.021 0.000 1.414 186 W HN 0.721 nan 8.180 nan 0.000 0.551 187 S N 0.878 116.742 115.700 0.272 0.000 3.026 187 S HA 0.722 5.192 4.470 -0.000 0.000 0.169 187 S C 0.410 175.145 174.600 0.225 0.000 0.680 187 S CA 0.743 59.030 58.200 0.144 0.000 0.826 187 S CB 0.507 63.725 63.200 0.029 0.000 0.779 187 S HN 0.842 nan 8.310 nan 0.000 0.664 188 S N -0.915 114.864 115.700 0.133 0.000 3.497 188 S HA 0.362 4.832 4.470 -0.000 0.000 0.319 188 S C 0.161 174.851 174.600 0.150 0.000 1.195 188 S CA 0.169 58.472 58.200 0.172 0.000 1.118 188 S CB -0.520 62.736 63.200 0.093 0.000 1.495 188 S HN 0.694 nan 8.310 nan 0.000 0.655 189 Y N 1.537 121.847 120.300 0.017 0.000 2.509 189 Y HA 0.517 5.067 4.550 -0.000 0.000 0.293 189 Y C 0.780 176.680 175.900 0.000 0.000 1.133 189 Y CA 0.443 58.549 58.100 0.009 0.000 1.283 189 Y CB -0.121 38.345 38.460 0.011 0.000 1.001 189 Y HN 0.188 nan 8.280 nan 0.000 0.555 190 R N 0.762 120.943 120.500 -0.531 0.000 2.930 190 R HA 0.204 4.544 4.340 -0.000 0.000 0.257 190 R C 0.881 176.995 176.300 -0.311 0.000 1.107 190 R CA -0.144 55.640 56.100 -0.525 0.000 0.999 190 R CB 0.741 30.558 30.300 -0.804 0.000 1.209 190 R HN 0.270 nan 8.270 nan 0.000 0.486 191 N N 0.113 118.603 118.700 -0.351 0.000 2.416 191 N HA -0.123 4.617 4.740 -0.000 0.000 0.177 191 N C 0.157 175.575 175.510 -0.154 0.000 1.036 191 N CA 1.239 54.121 53.050 -0.279 0.000 0.901 191 N CB 0.180 38.289 38.487 -0.629 0.000 0.976 191 N HN 0.600 nan 8.380 nan 0.000 0.444 192 D N -1.302 118.979 120.400 -0.199 0.000 2.520 192 D HA 0.382 5.022 4.640 -0.000 0.000 0.223 192 D C 0.094 176.269 176.300 -0.208 0.000 1.186 192 D CA -0.346 53.550 54.000 -0.174 0.000 0.821 192 D CB 0.253 41.036 40.800 -0.027 0.000 1.072 192 D HN 0.328 nan 8.370 nan 0.000 0.518 193 A N -0.328 122.342 122.820 -0.249 0.000 2.569 193 A HA 0.660 4.980 4.320 -0.000 0.000 0.290 193 A C -0.841 176.651 177.584 -0.154 0.000 1.136 193 A CA -0.782 51.108 52.037 -0.245 0.000 0.710 193 A CB 0.783 19.608 19.000 -0.292 0.000 1.303 193 A HN 0.125 nan 8.150 nan 0.000 0.413 194 F N -1.556 118.270 119.950 -0.207 0.000 2.815 194 F HA 0.489 5.016 4.527 -0.000 0.000 0.328 194 F C 0.944 176.790 175.800 0.076 0.000 0.982 194 F CA -0.005 57.898 58.000 -0.161 0.000 1.154 194 F CB -0.277 38.222 39.000 -0.835 0.000 0.980 194 F HN 0.716 nan 8.300 nan 0.000 0.603 195 G N 0.674 109.170 108.800 -0.508 0.000 2.406 195 G HA2 0.372 4.332 3.960 -0.000 0.000 0.251 195 G HA3 0.372 4.332 3.960 -0.000 0.000 0.251 195 G C 0.919 175.758 174.900 -0.102 0.000 1.271 195 G CA 0.080 44.994 45.100 -0.309 0.000 0.859 195 G HN 1.354 nan 8.290 nan 0.000 0.540 196 G N 0.332 109.063 108.800 -0.114 0.000 2.256 196 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.272 196 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.272 196 G C 0.519 175.200 174.900 -0.364 0.000 1.076 196 G CA 0.457 45.467 45.100 -0.150 0.000 0.882 196 G HN 1.340 nan 8.290 nan 0.000 0.497 197 S N 0.487 115.902 115.700 -0.475 0.000 2.528 197 S HA 0.556 5.026 4.470 -0.000 0.000 0.277 197 S C 0.478 174.832 174.600 -0.409 0.000 1.297 197 S CA -0.423 57.298 58.200 -0.799 0.000 1.052 197 S CB 1.050 63.959 63.200 -0.484 0.000 0.917 197 S HN 0.325 nan 8.310 nan 0.000 0.492 198 P HA 0.218 nan 4.420 nan 0.000 0.231 198 P C 0.675 177.917 177.300 -0.098 0.000 1.168 198 P CA 0.575 63.576 63.100 -0.165 0.000 0.779 198 P CB -0.577 31.057 31.700 -0.110 0.000 0.844 199 G N -0.695 108.045 108.800 -0.101 0.000 2.712 199 G HA2 0.214 4.174 3.960 -0.000 0.000 0.686 199 G HA3 0.214 4.174 3.960 -0.000 0.000 0.686 199 G C 0.412 175.316 174.900 0.008 0.000 1.321 199 G CA -0.181 44.906 45.100 -0.022 0.000 0.813 199 G HN 0.652 nan 8.290 nan 0.000 0.599 200 G N -1.080 107.741 108.800 0.036 0.000 2.143 200 G HA2 0.079 4.039 3.960 -0.000 0.000 0.249 200 G HA3 0.079 4.039 3.960 -0.000 0.000 0.249 200 G C 0.355 175.268 174.900 0.022 0.000 0.981 200 G CA 0.920 46.039 45.100 0.033 0.000 0.665 200 G HN 2.238 nan 8.290 nan 0.000 0.528 201 I N 0.501 121.089 120.570 0.030 0.000 2.644 201 I HA 0.640 4.810 4.170 -0.000 0.000 0.291 201 I C -1.003 175.122 176.117 0.014 0.000 1.180 201 I CA -0.523 60.789 61.300 0.021 0.000 1.040 201 I CB 1.986 40.027 38.000 0.069 0.000 1.255 201 I HN 0.006 nan 8.210 nan 0.000 0.422 202 T N 7.654 122.164 114.554 -0.073 0.000 2.881 202 T HA 0.460 4.810 4.350 -0.000 0.000 0.290 202 T C -0.835 173.824 174.700 -0.069 0.000 1.000 202 T CA -0.532 61.510 62.100 -0.096 0.000 0.978 202 T CB 1.704 70.385 68.868 -0.312 0.000 0.997 202 T HN 0.250 nan 8.240 nan 0.000 0.443 203 L N 4.656 125.894 121.223 0.026 0.000 2.257 203 L HA 0.483 4.823 4.340 -0.000 0.000 0.290 203 L C 0.983 177.925 176.870 0.120 0.000 1.044 203 L CA -0.209 54.673 54.840 0.070 0.000 0.810 203 L CB 0.741 42.855 42.059 0.092 0.000 1.193 203 L HN 0.901 nan 8.230 nan 0.000 0.425 204 T N 0.206 114.833 114.554 0.120 0.000 2.940 204 T HA 0.675 5.025 4.350 -0.000 0.000 0.288 204 T C -0.133 174.694 174.700 0.211 0.000 1.033 204 T CA -0.749 61.471 62.100 0.199 0.000 1.033 204 T CB 2.431 71.412 68.868 0.188 0.000 1.079 204 T HN 0.456 nan 8.240 nan 0.000 0.496 205 S N 0.529 116.372 115.700 0.239 0.000 2.546 205 S HA 0.688 5.158 4.470 -0.000 0.000 0.272 205 S C -1.028 173.704 174.600 0.221 0.000 1.140 205 S CA -0.675 57.659 58.200 0.224 0.000 0.920 205 S CB 1.180 64.520 63.200 0.234 0.000 1.083 205 S HN 1.306 nan 8.310 nan 0.000 0.476 206 S N 3.222 119.044 115.700 0.204 0.000 2.526 206 S HA 0.783 5.253 4.470 -0.000 0.000 0.293 206 S C -1.434 173.311 174.600 0.242 0.000 1.092 206 S CA -0.767 57.544 58.200 0.185 0.000 0.980 206 S CB 1.202 64.477 63.200 0.125 0.000 1.048 206 S HN 0.797 nan 8.310 nan 0.000 0.483 207 W N 2.503 123.810 121.300 0.011 0.000 2.656 207 W HA 0.550 5.210 4.660 -0.000 0.000 0.327 207 W C -1.506 174.998 176.519 -0.025 0.000 1.041 207 W CA -0.541 56.811 57.345 0.011 0.000 1.229 207 W CB 1.541 31.025 29.460 0.040 0.000 1.397 207 W HN 0.740 nan 8.180 nan 0.000 0.479 208 D N 6.893 126.912 120.400 -0.636 0.000 2.329 208 D HA 0.266 4.906 4.640 -0.000 0.000 0.232 208 D C -1.720 173.863 176.300 -1.195 0.000 1.088 208 D CA -2.039 51.561 54.000 -0.667 0.000 0.835 208 D CB 2.580 43.174 40.800 -0.343 0.000 1.078 208 D HN 0.124 nan 8.370 nan 0.000 0.495 209 P HA -0.100 nan 4.420 nan 0.000 0.220 209 P C 1.199 178.232 177.300 -0.445 0.000 1.148 209 P CA 0.891 63.398 63.100 -0.989 0.000 0.803 209 P CB 0.359 31.759 31.700 -0.501 0.000 0.782 210 S N -2.064 113.439 115.700 -0.327 0.000 2.421 210 S HA -0.058 4.412 4.470 -0.000 0.000 0.224 210 S C 1.878 176.394 174.600 -0.140 0.000 1.035 210 S CA 1.409 59.505 58.200 -0.174 0.000 0.953 210 S CB -1.603 61.519 63.200 -0.130 0.000 0.810 210 S HN 0.231 nan 8.310 nan 0.000 0.497 211 T N -2.811 111.635 114.554 -0.180 0.000 3.033 211 T HA 0.494 4.844 4.350 -0.000 0.000 0.248 211 T C 1.762 176.411 174.700 -0.084 0.000 1.040 211 T CA 0.932 62.965 62.100 -0.112 0.000 1.133 211 T CB -0.397 68.412 68.868 -0.098 0.000 0.895 211 T HN 1.255 nan 8.240 nan 0.000 0.465 212 G N 1.553 110.258 108.800 -0.159 0.000 2.157 212 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.239 212 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.239 212 G C 0.016 174.979 174.900 0.106 0.000 0.982 212 G CA 0.015 45.135 45.100 0.032 0.000 0.650 212 G HN 0.676 nan 8.290 nan 0.000 0.527 213 I N 1.145 121.715 120.570 -0.001 0.000 2.441 213 I HA 0.384 4.554 4.170 -0.000 0.000 0.287 213 I C 0.482 176.678 176.117 0.133 0.000 1.049 213 I CA -0.636 60.697 61.300 0.054 0.000 1.381 213 I CB 1.528 39.534 38.000 0.011 0.000 1.409 213 I HN -0.115 nan 8.210 nan 0.000 0.523 214 V N 5.642 125.663 119.914 0.179 0.000 2.334 214 V HA 0.313 4.433 4.120 -0.000 0.000 0.281 214 V C -0.020 176.169 176.094 0.158 0.000 1.016 214 V CA -0.423 62.012 62.300 0.225 0.000 0.832 214 V CB 1.241 33.208 31.823 0.240 0.000 0.999 214 V HN 0.853 nan 8.190 nan 0.000 0.439 215 S N 2.547 118.338 115.700 0.150 0.000 2.519 215 S HA 0.676 5.146 4.470 -0.000 0.000 0.309 215 S C -0.915 173.773 174.600 0.147 0.000 1.100 215 S CA -0.970 57.306 58.200 0.127 0.000 1.059 215 S CB 1.687 64.945 63.200 0.097 0.000 1.008 215 S HN 0.750 nan 8.310 nan 0.000 0.478 216 D N 1.652 122.140 120.400 0.147 0.000 2.229 216 D HA 0.699 5.339 4.640 -0.000 0.000 0.249 216 D C -0.098 176.286 176.300 0.139 0.000 1.027 216 D CA -0.620 53.477 54.000 0.161 0.000 0.923 216 D CB 0.862 41.775 40.800 0.188 0.000 1.174 216 D HN 0.450 nan 8.370 nan 0.000 0.443 217 R N -0.732 119.854 120.500 0.144 0.000 2.799 217 R HA 0.689 5.029 4.340 -0.000 0.000 0.270 217 R C -1.208 175.150 176.300 0.096 0.000 1.010 217 R CA -0.658 55.515 56.100 0.122 0.000 0.916 217 R CB 2.173 32.559 30.300 0.144 0.000 1.228 217 R HN 0.487 nan 8.270 nan 0.000 0.469 218 T N 1.164 115.760 114.554 0.069 0.000 2.815 218 T HA 0.422 4.772 4.350 -0.000 0.000 0.289 218 T C -1.016 173.676 174.700 -0.012 0.000 1.000 218 T CA -0.593 61.528 62.100 0.035 0.000 0.958 218 T CB 1.226 70.126 68.868 0.054 0.000 0.944 218 T HN 0.182 nan 8.240 nan 0.000 0.442 219 V N 4.262 124.114 119.914 -0.103 0.000 2.350 219 V HA 0.408 4.528 4.120 -0.000 0.000 0.276 219 V C 1.199 177.206 176.094 -0.145 0.000 1.028 219 V CA -0.480 61.703 62.300 -0.195 0.000 0.860 219 V CB 0.882 32.371 31.823 -0.555 0.000 0.990 219 V HN 1.136 nan 8.190 nan 0.000 0.453 220 T N 0.423 114.936 114.554 -0.068 0.000 2.969 220 T HA 0.014 4.364 4.350 -0.000 0.000 0.258 220 T C 1.488 176.184 174.700 -0.008 0.000 0.962 220 T CA 0.651 62.734 62.100 -0.029 0.000 0.903 220 T CB 0.578 69.448 68.868 0.003 0.000 1.177 220 T HN 0.250 nan 8.240 nan 0.000 0.511 221 V N 3.701 123.619 119.914 0.006 0.000 2.568 221 V HA -0.131 3.989 4.120 -0.000 0.000 0.253 221 V C 2.603 178.725 176.094 0.048 0.000 1.072 221 V CA 2.611 64.935 62.300 0.040 0.000 1.084 221 V CB -0.776 31.090 31.823 0.073 0.000 0.676 221 V HN 0.860 nan 8.190 nan 0.000 0.469 222 T N -3.541 111.033 114.554 0.033 0.000 3.100 222 T HA 0.078 4.428 4.350 -0.000 0.000 0.253 222 T C 0.906 175.634 174.700 0.047 0.000 1.118 222 T CA 0.226 62.361 62.100 0.059 0.000 1.058 222 T CB -0.287 68.627 68.868 0.078 0.000 0.953 222 T HN 0.562 nan 8.240 nan 0.000 0.515 223 K N 1.162 121.580 120.400 0.029 0.000 3.257 223 K HA -0.225 4.095 4.320 -0.000 0.000 0.270 223 K C -0.406 176.237 176.600 0.071 0.000 0.984 223 K CA 0.548 56.854 56.287 0.031 0.000 0.739 223 K CB -2.067 30.444 32.500 0.018 0.000 1.351 223 K HN 0.842 nan 8.250 nan 0.000 0.463 224 H N -0.098 118.932 119.070 -0.067 0.000 2.865 224 H HA 0.169 4.725 4.556 -0.000 0.000 0.362 224 H C -1.498 173.781 175.328 -0.082 0.000 1.114 224 H CA -0.973 55.033 56.048 -0.071 0.000 1.208 224 H CB 1.564 31.271 29.762 -0.093 0.000 1.727 224 H HN 0.166 nan 8.280 nan 0.000 0.534 225 D N 5.672 126.134 120.400 0.104 0.000 2.467 225 D HA 0.104 4.744 4.640 -0.000 0.000 0.220 225 D C 0.421 176.650 176.300 -0.118 0.000 1.103 225 D CA -0.394 53.616 54.000 0.017 0.000 0.886 225 D CB 0.801 41.674 40.800 0.121 0.000 1.025 225 D HN 0.636 nan 8.370 nan 0.000 0.514 226 M N 3.504 122.901 119.600 -0.337 0.000 2.766 226 M HA 0.059 4.539 4.480 -0.000 0.000 0.208 226 M C 0.319 176.726 176.300 0.179 0.000 1.152 226 M CA -0.079 55.004 55.300 -0.363 0.000 1.013 226 M CB -0.297 31.890 32.600 -0.689 0.000 1.813 226 M HN 0.268 nan 8.290 nan 0.000 0.478 227 F N -0.342 119.659 119.950 0.086 0.000 2.399 227 F HA 0.178 4.705 4.527 -0.000 0.000 0.342 227 F C 0.800 176.658 175.800 0.097 0.000 1.106 227 F CA -0.637 57.434 58.000 0.118 0.000 1.196 227 F CB 0.538 39.603 39.000 0.108 0.000 1.163 227 F HN 0.201 nan 8.300 nan 0.000 0.547 228 C N 5.115 123.853 119.300 -0.936 0.000 4.067 228 C HA -0.119 4.341 4.460 -0.000 0.000 0.305 228 C C -2.291 172.520 174.990 -0.299 0.000 1.305 228 C CA -0.049 58.499 59.018 -0.783 0.000 2.111 228 C CB -2.867 24.616 27.740 -0.428 0.000 1.339 228 C HN 0.741 nan 8.230 nan 0.000 0.668 229 P HA 0.664 nan 4.420 nan 0.000 0.319 229 P C -0.304 176.973 177.300 -0.037 0.000 1.291 229 P CA 0.117 63.198 63.100 -0.032 0.000 0.817 229 P CB 1.261 33.030 31.700 0.115 0.000 1.349 230 G N 0.055 108.877 108.800 0.037 0.000 2.422 230 G HA2 0.662 4.622 3.960 -0.000 0.000 0.317 230 G HA3 0.662 4.622 3.960 -0.000 0.000 0.317 230 G C -0.676 174.292 174.900 0.113 0.000 1.210 230 G CA -0.680 44.445 45.100 0.043 0.000 0.930 230 G HN 0.320 nan 8.290 nan 0.000 0.468 231 I N 1.091 121.730 120.570 0.115 0.000 2.474 231 I HA 0.620 4.790 4.170 -0.000 0.000 0.294 231 I C -0.128 176.075 176.117 0.143 0.000 1.005 231 I CA -0.645 60.759 61.300 0.173 0.000 1.113 231 I CB 2.302 40.431 38.000 0.216 0.000 1.289 231 I HN 0.301 nan 8.210 nan 0.000 0.436 232 S N 5.116 120.914 115.700 0.164 0.000 2.533 232 S HA 0.484 4.954 4.470 -0.000 0.000 0.271 232 S C -0.932 173.763 174.600 0.158 0.000 1.143 232 S CA -0.599 57.691 58.200 0.150 0.000 0.891 232 S CB 2.064 65.358 63.200 0.156 0.000 1.105 232 S HN 0.594 nan 8.310 nan 0.000 0.468 233 M N 4.150 123.839 119.600 0.148 0.000 2.063 233 M HA 0.381 4.860 4.480 -0.000 0.000 0.348 233 M C -0.545 175.843 176.300 0.146 0.000 1.180 233 M CA -0.721 54.670 55.300 0.152 0.000 1.059 233 M CB -0.253 32.440 32.600 0.155 0.000 1.544 233 M HN 0.663 nan 8.290 nan 0.000 0.447 234 D N 2.882 123.370 120.400 0.147 0.000 2.414 234 D HA 0.315 4.955 4.640 -0.000 0.000 0.251 234 D C 1.138 177.493 176.300 0.092 0.000 1.252 234 D CA -0.077 54.003 54.000 0.133 0.000 0.999 234 D CB 0.026 40.923 40.800 0.162 0.000 1.093 234 D HN 0.657 nan 8.370 nan 0.000 0.515 235 G N -1.048 107.791 108.800 0.064 0.000 2.534 235 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 235 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 235 G C 0.998 175.893 174.900 -0.008 0.000 1.128 235 G CA 0.098 45.216 45.100 0.031 0.000 0.784 235 G HN 0.420 nan 8.290 nan 0.000 0.542 236 N N 0.273 118.975 118.700 0.003 0.000 2.398 236 N HA 0.199 4.939 4.740 -0.000 0.000 0.188 236 N C 1.527 177.033 175.510 -0.005 0.000 1.122 236 N CA 0.733 53.776 53.050 -0.011 0.000 0.866 236 N CB 0.271 38.758 38.487 0.000 0.000 0.970 236 N HN 0.324 nan 8.380 nan 0.000 0.462 237 G N 0.275 109.080 108.800 0.008 0.000 2.147 237 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.244 237 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.244 237 G C -0.247 174.752 174.900 0.165 0.000 1.005 237 G CA -0.154 45.003 45.100 0.095 0.000 0.713 237 G HN 0.388 nan 8.290 nan 0.000 0.515 238 Q N -0.819 119.042 119.800 0.101 0.000 2.342 238 Q HA 0.649 4.989 4.340 -0.000 0.000 0.267 238 Q C 0.179 176.241 176.000 0.103 0.000 1.038 238 Q CA -0.936 54.904 55.803 0.061 0.000 0.832 238 Q CB 1.984 30.748 28.738 0.044 0.000 1.323 238 Q HN 0.387 nan 8.270 nan 0.000 0.448 239 I N 2.395 123.021 120.570 0.093 0.000 2.337 239 I HA 0.115 4.285 4.170 -0.000 0.000 0.291 239 I C -0.405 175.796 176.117 0.140 0.000 1.046 239 I CA -0.552 60.833 61.300 0.141 0.000 1.324 239 I CB 0.799 38.904 38.000 0.175 0.000 1.409 239 I HN 0.242 nan 8.210 nan 0.000 0.494 240 V N 7.972 127.976 119.914 0.149 0.000 2.353 240 V HA 0.183 4.303 4.120 -0.000 0.000 0.264 240 V C 0.202 176.408 176.094 0.186 0.000 1.049 240 V CA -0.534 61.840 62.300 0.124 0.000 0.896 240 V CB 1.045 32.899 31.823 0.052 0.000 1.025 240 V HN 0.389 nan 8.190 nan 0.000 0.475 241 V N 5.024 125.072 119.914 0.222 0.000 2.347 241 V HA 0.535 4.654 4.120 -0.000 0.000 0.280 241 V C 0.425 176.680 176.094 0.269 0.000 1.021 241 V CA -0.315 62.136 62.300 0.252 0.000 0.847 241 V CB 1.661 33.614 31.823 0.216 0.000 0.990 241 V HN 0.987 nan 8.190 nan 0.000 0.444 242 T N 1.535 116.222 114.554 0.222 0.000 2.829 242 T HA 0.806 5.156 4.350 -0.000 0.000 0.280 242 T C 0.426 175.208 174.700 0.138 0.000 0.999 242 T CA 0.148 62.340 62.100 0.154 0.000 0.983 242 T CB 1.593 70.474 68.868 0.022 0.000 0.968 242 T HN 1.658 nan 8.240 nan 0.000 0.446 243 G N 1.614 110.480 108.800 0.109 0.000 2.601 243 G HA2 0.286 4.246 3.960 -0.000 0.000 0.261 243 G HA3 0.286 4.246 3.960 -0.000 0.000 0.261 243 G C 0.466 175.512 174.900 0.243 0.000 1.289 243 G CA 0.523 45.687 45.100 0.106 0.000 0.920 243 G HN 2.613 nan 8.290 nan 0.000 0.571 244 G N -1.531 107.333 108.800 0.108 0.000 2.715 244 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.221 244 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.221 244 G C 0.828 175.810 174.900 0.138 0.000 1.204 244 G CA 0.685 45.844 45.100 0.098 0.000 1.063 244 G HN 1.670 nan 8.290 nan 0.000 0.586 245 N N 1.778 120.605 118.700 0.211 0.000 2.289 245 N HA 0.057 4.797 4.740 -0.000 0.000 0.184 245 N C 0.302 175.895 175.510 0.139 0.000 1.016 245 N CA 1.512 54.685 53.050 0.205 0.000 0.872 245 N CB 0.020 38.658 38.487 0.252 0.000 0.973 245 N HN 0.473 nan 8.380 nan 0.000 0.433 246 D N -0.181 120.322 120.400 0.172 0.000 2.551 246 D HA 0.270 4.910 4.640 -0.000 0.000 0.294 246 D C 0.552 176.874 176.300 0.037 0.000 1.201 246 D CA -0.200 53.862 54.000 0.103 0.000 0.941 246 D CB 0.822 41.709 40.800 0.146 0.000 0.995 246 D HN 0.013 nan 8.370 nan 0.000 0.502 247 A N 1.629 124.461 122.820 0.021 0.000 2.054 247 A HA -0.247 4.073 4.320 -0.000 0.000 0.223 247 A C 1.955 179.480 177.584 -0.097 0.000 1.169 247 A CA 1.515 53.539 52.037 -0.022 0.000 0.655 247 A CB -0.027 18.965 19.000 -0.013 0.000 0.812 247 A HN 0.257 nan 8.150 nan 0.000 0.462 248 K N -1.155 119.169 120.400 -0.126 0.000 2.354 248 K HA 0.060 4.380 4.320 -0.000 0.000 0.194 248 K C -0.098 176.348 176.600 -0.256 0.000 1.038 248 K CA -0.092 56.090 56.287 -0.176 0.000 1.052 248 K CB 0.207 32.637 32.500 -0.116 0.000 0.861 248 K HN 0.219 nan 8.250 nan 0.000 0.535 249 K N 0.976 121.170 120.400 -0.344 0.000 2.126 249 K HA 0.187 4.507 4.320 -0.000 0.000 0.257 249 K C -0.264 176.018 176.600 -0.530 0.000 1.007 249 K CA 0.034 56.029 56.287 -0.487 0.000 0.928 249 K CB 1.566 33.664 32.500 -0.670 0.000 1.013 249 K HN -0.163 nan 8.250 nan 0.000 0.473 250 T N 0.527 114.913 114.554 -0.280 0.000 2.881 250 T HA 0.345 4.695 4.350 -0.000 0.000 0.290 250 T C -0.780 173.980 174.700 0.101 0.000 1.000 250 T CA -0.655 61.428 62.100 -0.027 0.000 0.978 250 T CB 1.365 70.301 68.868 0.115 0.000 0.997 250 T HN 0.355 nan 8.240 nan 0.000 0.443 251 S N 2.594 118.443 115.700 0.249 0.000 2.500 251 S HA 0.661 5.131 4.470 -0.000 0.000 0.301 251 S C -0.765 174.028 174.600 0.321 0.000 1.092 251 S CA -0.783 57.609 58.200 0.320 0.000 1.030 251 S CB 0.836 64.258 63.200 0.369 0.000 1.031 251 S HN 0.484 nan 8.310 nan 0.000 0.483 252 L N 3.247 124.649 121.223 0.299 0.000 2.322 252 L HA 0.527 4.867 4.340 -0.000 0.000 0.281 252 L C -1.198 175.721 176.870 0.081 0.000 1.014 252 L CA -0.871 54.074 54.840 0.175 0.000 0.815 252 L CB 1.058 43.190 42.059 0.122 0.000 1.247 252 L HN 0.671 nan 8.230 nan 0.000 0.421 253 Y N 2.180 122.303 120.300 -0.295 0.000 2.328 253 Y HA 0.360 4.910 4.550 -0.000 0.000 0.337 253 Y C -0.685 175.000 175.900 -0.358 0.000 0.966 253 Y CA -0.907 56.778 58.100 -0.692 0.000 1.136 253 Y CB 1.539 39.224 38.460 -1.292 0.000 1.170 253 Y HN 0.546 nan 8.280 nan 0.000 0.470 254 D N 3.059 122.887 120.400 -0.955 0.000 2.280 254 D HA 0.199 4.839 4.640 -0.000 0.000 0.236 254 D C 0.562 176.241 176.300 -1.035 0.000 1.082 254 D CA 0.066 53.653 54.000 -0.687 0.000 0.834 254 D CB 1.825 42.406 40.800 -0.365 0.000 1.100 254 D HN 0.560 nan 8.370 nan 0.000 0.486 255 S N 1.766 117.051 115.700 -0.692 0.000 2.414 255 S HA -0.090 4.380 4.470 -0.000 0.000 0.227 255 S C 1.761 176.177 174.600 -0.306 0.000 1.022 255 S CA 0.922 58.819 58.200 -0.504 0.000 0.958 255 S CB 0.053 63.047 63.200 -0.343 0.000 0.797 255 S HN 0.488 nan 8.310 nan 0.000 0.493 256 S N 1.272 116.837 115.700 -0.225 0.000 2.382 256 S HA -0.068 4.402 4.470 -0.000 0.000 0.228 256 S C 2.003 176.530 174.600 -0.121 0.000 1.027 256 S CA 1.465 59.587 58.200 -0.131 0.000 0.991 256 S CB -0.241 62.920 63.200 -0.065 0.000 0.823 256 S HN 0.797 nan 8.310 nan 0.000 0.469 257 S N 0.094 115.700 115.700 -0.157 0.000 2.524 257 S HA 0.171 4.641 4.470 -0.000 0.000 0.215 257 S C 0.209 174.740 174.600 -0.114 0.000 0.986 257 S CA 0.413 58.545 58.200 -0.114 0.000 0.911 257 S CB -0.126 63.016 63.200 -0.097 0.000 0.805 257 S HN 0.295 nan 8.310 nan 0.000 0.501 258 D N 1.601 121.884 120.400 -0.195 0.000 2.746 258 D HA -0.145 4.495 4.640 -0.000 0.000 0.241 258 D C -0.276 176.009 176.300 -0.025 0.000 1.140 258 D CA 0.958 54.894 54.000 -0.106 0.000 0.707 258 D CB -1.393 39.420 40.800 0.020 0.000 1.034 258 D HN 0.719 nan 8.370 nan 0.000 0.423 259 S N -0.919 114.676 115.700 -0.174 0.000 2.607 259 S HA 0.758 5.228 4.470 -0.000 0.000 0.273 259 S C -0.902 173.651 174.600 -0.078 0.000 1.148 259 S CA -1.185 57.014 58.200 -0.002 0.000 0.833 259 S CB 0.971 64.183 63.200 0.019 0.000 1.130 259 S HN 0.201 nan 8.310 nan 0.000 0.470 260 W N 1.037 122.395 121.300 0.096 0.000 2.376 260 W HA 0.669 5.329 4.660 -0.000 0.000 0.312 260 W C -0.536 176.013 176.519 0.051 0.000 1.060 260 W CA -0.628 56.777 57.345 0.100 0.000 1.221 260 W CB 1.020 30.535 29.460 0.092 0.000 1.281 260 W HN 0.514 nan 8.180 nan 0.000 0.456 261 I N 5.598 126.311 120.570 0.239 0.000 2.377 261 I HA 0.329 4.499 4.170 -0.000 0.000 0.293 261 I C -2.093 174.133 176.117 0.182 0.000 0.987 261 I CA -2.452 58.944 61.300 0.159 0.000 1.185 261 I CB 1.493 39.543 38.000 0.084 0.000 1.341 261 I HN 0.017 nan 8.210 nan 0.000 0.455 262 P HA 0.146 nan 4.420 nan 0.000 0.271 262 P C -0.134 177.244 177.300 0.131 0.000 1.216 262 P CA -0.062 63.116 63.100 0.131 0.000 0.771 262 P CB 0.803 32.562 31.700 0.098 0.000 0.864 263 G N 3.484 112.364 108.800 0.134 0.000 2.537 263 G HA2 0.621 4.581 3.960 -0.000 0.000 0.323 263 G HA3 0.621 4.581 3.960 -0.000 0.000 0.323 263 G C -2.683 172.315 174.900 0.164 0.000 1.207 263 G CA -1.615 43.577 45.100 0.154 0.000 0.976 263 G HN 0.299 nan 8.290 nan 0.000 0.487 264 P HA 0.230 nan 4.420 nan 0.000 0.274 264 P C -0.912 176.544 177.300 0.259 0.000 1.231 264 P CA -0.421 62.837 63.100 0.264 0.000 0.790 264 P CB 1.246 33.155 31.700 0.347 0.000 0.951 265 D N 1.433 121.902 120.400 0.114 0.000 2.399 265 D HA 0.144 4.784 4.640 -0.000 0.000 0.241 265 D C 0.827 177.027 176.300 -0.166 0.000 1.133 265 D CA 0.382 54.356 54.000 -0.045 0.000 0.890 265 D CB 0.226 40.999 40.800 -0.045 0.000 1.201 265 D HN 0.267 nan 8.370 nan 0.000 0.432 266 M N 1.547 120.860 119.600 -0.478 0.000 2.202 266 M HA 0.025 4.505 4.480 -0.000 0.000 0.316 266 M C 1.468 177.596 176.300 -0.286 0.000 1.138 266 M CA -0.410 54.441 55.300 -0.749 0.000 1.151 266 M CB 0.722 32.782 32.600 -0.901 0.000 1.422 266 M HN 0.233 nan 8.290 nan 0.000 0.471 267 Q N 0.487 120.180 119.800 -0.178 0.000 2.137 267 Q HA 0.076 4.416 4.340 -0.000 0.000 0.198 267 Q C 0.026 176.001 176.000 -0.041 0.000 0.960 267 Q CA 1.010 56.790 55.803 -0.037 0.000 0.847 267 Q CB 0.001 28.766 28.738 0.044 0.000 0.915 267 Q HN 0.522 nan 8.270 nan 0.000 0.448 268 V N 0.842 120.704 119.914 -0.086 0.000 2.513 268 V HA 0.528 4.647 4.120 -0.000 0.000 0.299 268 V C -0.371 175.667 176.094 -0.093 0.000 1.035 268 V CA -1.092 61.196 62.300 -0.020 0.000 0.889 268 V CB 1.562 33.381 31.823 -0.007 0.000 0.988 268 V HN 0.127 nan 8.190 nan 0.000 0.440 269 A N 5.740 128.560 122.820 -0.001 0.000 2.396 269 A HA 0.668 4.988 4.320 -0.000 0.000 0.279 269 A C 0.258 177.779 177.584 -0.106 0.000 1.165 269 A CA -0.102 51.909 52.037 -0.044 0.000 0.824 269 A CB -0.015 19.008 19.000 0.038 0.000 1.100 269 A HN 0.891 nan 8.150 nan 0.000 0.516 270 R N 1.081 121.495 120.500 -0.144 0.000 2.888 270 R HA 0.801 5.141 4.340 -0.000 0.000 0.266 270 R C -0.180 176.057 176.300 -0.106 0.000 1.020 270 R CA -0.460 55.543 56.100 -0.162 0.000 0.963 270 R CB 2.559 32.741 30.300 -0.196 0.000 1.197 270 R HN 0.901 nan 8.270 nan 0.000 0.481 271 G N 0.201 108.938 108.800 -0.104 0.000 2.768 271 G HA2 0.403 4.363 3.960 -0.000 0.000 0.297 271 G HA3 0.403 4.363 3.960 -0.000 0.000 0.297 271 G C -1.265 173.637 174.900 0.004 0.000 1.430 271 G CA -0.358 44.711 45.100 -0.052 0.000 1.030 271 G HN 0.556 nan 8.290 nan 0.000 0.553 272 Y N -0.537 119.634 120.300 -0.215 0.000 4.729 272 Y HA -0.206 4.344 4.550 -0.000 0.000 0.239 272 Y C 1.368 177.169 175.900 -0.165 0.000 1.043 272 Y CA 0.559 58.536 58.100 -0.205 0.000 2.045 272 Y CB -1.863 36.426 38.460 -0.283 0.000 1.599 272 Y HN 0.901 nan 8.280 nan 0.000 0.655 273 Q N 0.188 119.978 119.800 -0.017 0.000 2.256 273 Q HA 0.662 5.002 4.340 -0.000 0.000 0.232 273 Q C -0.120 175.869 176.000 -0.018 0.000 0.965 273 Q CA -0.255 55.513 55.803 -0.058 0.000 0.908 273 Q CB 1.962 30.631 28.738 -0.114 0.000 1.209 273 Q HN 0.247 nan 8.270 nan 0.000 0.489 274 S N 0.852 116.534 115.700 -0.030 0.000 2.501 274 S HA 0.595 5.065 4.470 -0.000 0.000 0.301 274 S C -0.827 173.761 174.600 -0.021 0.000 1.096 274 S CA -0.602 57.593 58.200 -0.008 0.000 1.063 274 S CB 1.338 64.541 63.200 0.004 0.000 1.042 274 S HN 0.733 nan 8.310 nan 0.000 0.494 275 S N 0.973 116.686 115.700 0.023 0.000 2.542 275 S HA 0.918 5.388 4.470 -0.000 0.000 0.293 275 S C -0.816 173.846 174.600 0.104 0.000 1.089 275 S CA -0.938 57.304 58.200 0.070 0.000 0.961 275 S CB 1.801 65.071 63.200 0.117 0.000 1.062 275 S HN 0.943 nan 8.310 nan 0.000 0.483 276 A N 1.599 124.525 122.820 0.176 0.000 2.449 276 A HA 0.761 5.081 4.320 -0.000 0.000 0.302 276 A C -0.195 177.525 177.584 0.227 0.000 1.048 276 A CA -0.820 51.328 52.037 0.186 0.000 0.708 276 A CB 1.270 20.389 19.000 0.198 0.000 1.274 276 A HN 0.780 nan 8.150 nan 0.000 0.410 277 T N 3.339 118.010 114.554 0.194 0.000 2.832 277 T HA 0.437 4.787 4.350 -0.000 0.000 0.296 277 T C 0.546 175.368 174.700 0.204 0.000 0.968 277 T CA 0.365 62.579 62.100 0.190 0.000 1.107 277 T CB 0.156 69.124 68.868 0.166 0.000 0.916 277 T HN 0.575 nan 8.240 nan 0.000 0.517 278 M N 1.539 121.250 119.600 0.185 0.000 2.219 278 M HA 0.235 4.715 4.480 -0.000 0.000 0.280 278 M C 2.039 178.424 176.300 0.142 0.000 1.189 278 M CA -0.562 54.839 55.300 0.168 0.000 1.010 278 M CB 0.595 33.281 32.600 0.142 0.000 1.422 278 M HN 0.706 nan 8.290 nan 0.000 0.504 279 S N -0.431 115.339 115.700 0.117 0.000 2.423 279 S HA -0.135 4.335 4.470 -0.000 0.000 0.231 279 S C 0.930 175.565 174.600 0.058 0.000 1.014 279 S CA 1.354 59.602 58.200 0.080 0.000 0.965 279 S CB -0.610 62.614 63.200 0.040 0.000 0.785 279 S HN 0.815 nan 8.310 nan 0.000 0.495 280 D N -0.048 120.384 120.400 0.054 0.000 2.349 280 D HA 0.299 4.939 4.640 -0.000 0.000 0.214 280 D C 1.370 177.686 176.300 0.026 0.000 1.063 280 D CA 0.517 54.535 54.000 0.030 0.000 0.847 280 D CB -0.405 40.407 40.800 0.020 0.000 0.933 280 D HN 0.560 nan 8.370 nan 0.000 0.513 281 G N 0.312 109.142 108.800 0.051 0.000 2.195 281 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.246 281 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.246 281 G C 0.388 175.312 174.900 0.040 0.000 0.984 281 G CA -0.165 44.964 45.100 0.048 0.000 0.633 281 G HN 0.423 nan 8.290 nan 0.000 0.525 282 R N -0.463 120.058 120.500 0.036 0.000 2.577 282 R HA 0.577 4.917 4.340 -0.000 0.000 0.269 282 R C -0.209 176.158 176.300 0.112 0.000 1.084 282 R CA -0.299 55.815 56.100 0.022 0.000 1.163 282 R CB 1.295 31.597 30.300 0.004 0.000 1.100 282 R HN 0.086 nan 8.270 nan 0.000 0.547 283 V N 2.741 122.733 119.914 0.130 0.000 2.409 283 V HA 0.274 4.394 4.120 -0.000 0.000 0.291 283 V C -0.776 175.479 176.094 0.268 0.000 1.020 283 V CA -0.598 61.824 62.300 0.202 0.000 0.848 283 V CB 1.163 33.108 31.823 0.203 0.000 0.990 283 V HN 0.493 nan 8.190 nan 0.000 0.430 284 F N 3.972 124.015 119.950 0.155 0.000 2.422 284 F HA 0.766 5.293 4.527 -0.000 0.000 0.333 284 F C 0.134 176.033 175.800 0.165 0.000 1.095 284 F CA 0.120 58.220 58.000 0.167 0.000 1.038 284 F CB 1.943 41.018 39.000 0.126 0.000 1.156 284 F HN 0.504 nan 8.300 nan 0.000 0.483 285 T N 6.980 121.182 114.554 -0.587 0.000 2.916 285 T HA 0.673 5.023 4.350 -0.000 0.000 0.305 285 T C -1.767 172.445 174.700 -0.813 0.000 1.119 285 T CA -0.537 61.270 62.100 -0.487 0.000 1.008 285 T CB 1.086 69.881 68.868 -0.122 0.000 1.129 285 T HN 0.728 nan 8.240 nan 0.000 0.480 286 I N 2.448 122.684 120.570 -0.556 0.000 2.827 286 I HA 0.629 4.799 4.170 -0.000 0.000 0.298 286 I C 0.429 176.375 176.117 -0.284 0.000 1.235 286 I CA 0.561 61.585 61.300 -0.459 0.000 1.021 286 I CB 1.634 39.314 38.000 -0.534 0.000 1.259 286 I HN 1.095 nan 8.210 nan 0.000 0.427 287 G N 3.923 112.580 108.800 -0.239 0.000 2.562 287 G HA2 0.250 4.210 3.960 -0.000 0.000 0.250 287 G HA3 0.250 4.210 3.960 -0.000 0.000 0.250 287 G C 0.469 175.235 174.900 -0.224 0.000 1.269 287 G CA -0.119 44.855 45.100 -0.211 0.000 0.919 287 G HN 2.344 nan 8.290 nan 0.000 0.574 288 G N -3.104 105.572 108.800 -0.208 0.000 2.956 288 G HA2 0.223 4.183 3.960 -0.000 0.000 0.263 288 G HA3 0.223 4.183 3.960 -0.000 0.000 0.263 288 G C 0.407 175.167 174.900 -0.234 0.000 1.090 288 G CA 0.691 45.673 45.100 -0.197 0.000 1.185 288 G HN 1.858 nan 8.290 nan 0.000 0.566 289 S N -0.223 115.334 115.700 -0.239 0.000 2.660 289 S HA 0.310 4.780 4.470 -0.000 0.000 0.227 289 S C 2.251 176.753 174.600 -0.164 0.000 0.948 289 S CA 0.766 58.841 58.200 -0.209 0.000 0.948 289 S CB 0.531 63.637 63.200 -0.157 0.000 0.779 289 S HN 1.235 nan 8.310 nan 0.000 0.487 290 G N 1.912 110.531 108.800 -0.301 0.000 2.422 290 G HA2 0.001 3.960 3.960 -0.000 0.000 0.218 290 G HA3 0.001 3.960 3.960 -0.000 0.000 0.218 290 G C 0.508 175.280 174.900 -0.213 0.000 1.140 290 G CA 0.775 45.567 45.100 -0.514 0.000 0.775 290 G HN 0.630 nan 8.290 nan 0.000 0.545 291 S N -3.692 111.933 115.700 -0.125 0.000 2.570 291 S HA 0.543 5.013 4.470 -0.000 0.000 0.270 291 S C 0.443 175.027 174.600 -0.026 0.000 1.149 291 S CA 0.342 58.523 58.200 -0.031 0.000 0.837 291 S CB 1.534 64.727 63.200 -0.012 0.000 1.124 291 S HN 1.635 nan 8.310 nan 0.000 0.465 292 G N -0.257 108.554 108.800 0.020 0.000 2.176 292 G HA2 0.374 4.334 3.960 -0.000 0.000 0.253 292 G HA3 0.374 4.334 3.960 -0.000 0.000 0.253 292 G C 1.279 176.263 174.900 0.139 0.000 0.979 292 G CA 0.417 45.547 45.100 0.051 0.000 0.641 292 G HN 2.742 nan 8.290 nan 0.000 0.530 293 G N -2.627 106.237 108.800 0.107 0.000 2.515 293 G HA2 0.353 4.313 3.960 -0.000 0.000 0.686 293 G HA3 0.353 4.313 3.960 -0.000 0.000 0.686 293 G C -0.643 174.325 174.900 0.114 0.000 1.274 293 G CA -0.010 45.205 45.100 0.191 0.000 0.874 293 G HN 1.491 nan 8.290 nan 0.000 0.631 294 V N 1.993 122.015 119.914 0.180 0.000 2.293 294 V HA 0.770 4.890 4.120 -0.000 0.000 0.275 294 V C 0.121 176.350 176.094 0.226 0.000 1.021 294 V CA 0.327 62.685 62.300 0.097 0.000 0.815 294 V CB -0.481 31.389 31.823 0.079 0.000 1.025 294 V HN 1.361 nan 8.190 nan 0.000 0.448 295 F N 0.743 120.689 119.950 -0.006 0.000 2.831 295 F HA 0.615 5.142 4.527 -0.000 0.000 0.318 295 F C -0.327 175.466 175.800 -0.011 0.000 1.174 295 F CA -1.482 56.513 58.000 -0.009 0.000 0.918 295 F CB 1.247 40.240 39.000 -0.012 0.000 1.364 295 F HN 0.134 nan 8.300 nan 0.000 0.475 296 E N 1.724 122.044 120.200 0.200 0.000 2.159 296 E HA 0.148 4.498 4.350 -0.000 0.000 0.272 296 E C -1.060 175.562 176.600 0.037 0.000 1.138 296 E CA -0.132 56.312 56.400 0.072 0.000 0.915 296 E CB 0.559 30.323 29.700 0.106 0.000 1.028 296 E HN 0.407 nan 8.360 nan 0.000 0.423 297 K N 3.537 123.847 120.400 -0.150 0.000 2.354 297 K HA 0.231 4.551 4.320 -0.000 0.000 0.257 297 K C -0.378 176.163 176.600 -0.098 0.000 1.062 297 K CA -0.312 55.869 56.287 -0.177 0.000 0.971 297 K CB 0.771 33.051 32.500 -0.367 0.000 1.305 297 K HN 0.369 nan 8.250 nan 0.000 0.449 298 N N 0.239 118.929 118.700 -0.017 0.000 2.364 298 N HA 0.172 4.912 4.740 -0.000 0.000 0.264 298 N C 0.503 175.983 175.510 -0.049 0.000 1.263 298 N CA -0.526 52.529 53.050 0.009 0.000 0.959 298 N CB 0.437 38.975 38.487 0.086 0.000 1.204 298 N HN 0.489 nan 8.380 nan 0.000 0.550 299 G N -0.752 108.040 108.800 -0.014 0.000 2.594 299 G HA2 0.334 4.293 3.960 -0.000 0.000 0.243 299 G HA3 0.334 4.293 3.960 -0.000 0.000 0.243 299 G C -0.738 174.162 174.900 -0.001 0.000 1.229 299 G CA -0.155 44.861 45.100 -0.139 0.000 0.843 299 G HN 0.707 nan 8.290 nan 0.000 0.578 300 E N -1.460 118.698 120.200 -0.069 0.000 2.392 300 E HA 0.541 4.891 4.350 -0.000 0.000 0.279 300 E C -1.910 174.892 176.600 0.336 0.000 0.964 300 E CA -1.029 55.483 56.400 0.187 0.000 0.777 300 E CB 2.229 32.047 29.700 0.196 0.000 1.249 300 E HN 0.490 nan 8.360 nan 0.000 0.449 301 V N 2.460 122.614 119.914 0.401 0.000 2.680 301 V HA 0.477 4.597 4.120 -0.000 0.000 0.309 301 V C -1.772 174.344 176.094 0.037 0.000 1.052 301 V CA -0.624 61.851 62.300 0.291 0.000 0.908 301 V CB 1.604 33.586 31.823 0.266 0.000 1.001 301 V HN 0.734 nan 8.190 nan 0.000 0.431 302 Y N 4.621 124.616 120.300 -0.508 0.000 2.330 302 Y HA 0.665 5.215 4.550 -0.000 0.000 0.336 302 Y C 0.148 175.794 175.900 -0.422 0.000 1.036 302 Y CA -0.248 57.285 58.100 -0.944 0.000 1.125 302 Y CB 1.893 39.426 38.460 -1.544 0.000 1.194 302 Y HN 0.615 nan 8.280 nan 0.000 0.469 303 S N 7.756 122.915 115.700 -0.902 0.000 2.474 303 S HA 0.409 4.879 4.470 -0.000 0.000 0.321 303 S C -2.134 171.849 174.600 -1.029 0.000 1.080 303 S CA -1.777 56.012 58.200 -0.685 0.000 1.106 303 S CB 1.183 64.172 63.200 -0.351 0.000 0.984 303 S HN 0.637 nan 8.310 nan 0.000 0.464 304 P HA -0.051 nan 4.420 nan 0.000 0.220 304 P C 1.430 178.569 177.300 -0.269 0.000 1.152 304 P CA 0.714 63.505 63.100 -0.514 0.000 0.812 304 P CB 0.106 31.676 31.700 -0.216 0.000 0.792 305 S N -0.771 114.796 115.700 -0.221 0.000 2.395 305 S HA -0.082 4.388 4.470 -0.000 0.000 0.225 305 S C 1.978 176.510 174.600 -0.113 0.000 1.027 305 S CA 1.355 59.477 58.200 -0.129 0.000 0.965 305 S CB -1.382 61.758 63.200 -0.099 0.000 0.812 305 S HN 0.215 nan 8.310 nan 0.000 0.482 306 S N 0.844 116.456 115.700 -0.147 0.000 2.535 306 S HA 0.288 4.758 4.470 -0.000 0.000 0.214 306 S C 0.393 174.941 174.600 -0.086 0.000 0.980 306 S CA -0.287 57.854 58.200 -0.098 0.000 0.907 306 S CB -0.638 62.512 63.200 -0.085 0.000 0.790 306 S HN 0.487 nan 8.310 nan 0.000 0.510 307 K N 1.926 122.234 120.400 -0.153 0.000 3.244 307 K HA -0.131 4.188 4.320 -0.000 0.000 0.270 307 K C -0.461 176.160 176.600 0.035 0.000 1.016 307 K CA 0.912 57.169 56.287 -0.051 0.000 0.754 307 K CB -2.585 29.948 32.500 0.055 0.000 1.326 307 K HN 0.797 nan 8.250 nan 0.000 0.465 308 T N -3.338 111.177 114.554 -0.065 0.000 2.896 308 T HA 0.648 4.998 4.350 -0.000 0.000 0.297 308 T C -0.945 173.786 174.700 0.051 0.000 1.108 308 T CA -0.949 61.189 62.100 0.063 0.000 1.004 308 T CB 1.353 70.248 68.868 0.044 0.000 1.159 308 T HN 0.309 nan 8.240 nan 0.000 0.499 309 W N 1.076 122.477 121.300 0.167 0.000 2.532 309 W HA 0.572 5.232 4.660 -0.000 0.000 0.321 309 W C -0.406 176.177 176.519 0.107 0.000 1.037 309 W CA -0.422 57.024 57.345 0.169 0.000 1.220 309 W CB 2.281 31.826 29.460 0.141 0.000 1.361 309 W HN 0.722 nan 8.180 nan 0.000 0.468 310 T N 2.060 116.816 114.554 0.337 0.000 2.824 310 T HA 0.280 4.630 4.350 -0.000 0.000 0.282 310 T C -0.279 174.565 174.700 0.241 0.000 0.993 310 T CA -0.677 61.561 62.100 0.230 0.000 0.967 310 T CB 1.679 70.638 68.868 0.152 0.000 0.960 310 T HN 0.227 nan 8.240 nan 0.000 0.441 311 S N 2.376 118.189 115.700 0.188 0.000 2.565 311 S HA 0.462 4.932 4.470 -0.000 0.000 0.276 311 S C -0.243 174.456 174.600 0.165 0.000 1.326 311 S CA -0.647 57.651 58.200 0.163 0.000 1.045 311 S CB -0.147 63.127 63.200 0.123 0.000 0.918 311 S HN 0.548 nan 8.310 nan 0.000 0.505 312 L N 7.386 128.717 121.223 0.181 0.000 2.495 312 L HA 0.351 4.691 4.340 -0.000 0.000 0.248 312 L C -1.600 175.382 176.870 0.187 0.000 1.229 312 L CA -1.440 53.522 54.840 0.204 0.000 0.942 312 L CB 1.556 43.790 42.059 0.292 0.000 1.242 312 L HN 0.544 nan 8.230 nan 0.000 0.484 313 P HA -0.087 nan 4.420 nan 0.000 0.226 313 P C 0.550 177.937 177.300 0.146 0.000 1.153 313 P CA 0.961 64.141 63.100 0.133 0.000 0.777 313 P CB 0.375 32.139 31.700 0.107 0.000 0.794 314 N N 0.228 119.023 118.700 0.158 0.000 2.461 314 N HA 0.055 4.795 4.740 -0.000 0.000 0.188 314 N C 0.740 176.379 175.510 0.216 0.000 1.134 314 N CA 0.242 53.387 53.050 0.159 0.000 0.878 314 N CB -0.219 38.348 38.487 0.132 0.000 0.972 314 N HN 0.106 nan 8.380 nan 0.000 0.456 315 A N 1.506 124.495 122.820 0.281 0.000 3.015 315 A HA 0.146 4.466 4.320 -0.000 0.000 0.293 315 A C 0.162 177.989 177.584 0.406 0.000 1.572 315 A CA -0.522 51.771 52.037 0.427 0.000 1.274 315 A CB -0.091 19.231 19.000 0.536 0.000 1.156 315 A HN -0.154 nan 8.150 nan 0.000 0.562 316 K N 0.748 121.345 120.400 0.329 0.000 2.489 316 K HA -0.004 4.316 4.320 -0.000 0.000 0.278 316 K C 1.035 177.816 176.600 0.301 0.000 1.000 316 K CA 0.004 56.441 56.287 0.250 0.000 1.012 316 K CB 1.393 33.995 32.500 0.170 0.000 0.903 316 K HN 0.301 nan 8.250 nan 0.000 0.485 317 V N 3.472 123.488 119.914 0.171 0.000 3.406 317 V HA -0.120 4.000 4.120 -0.000 0.000 0.263 317 V C 1.956 178.105 176.094 0.091 0.000 1.172 317 V CA 0.933 63.301 62.300 0.114 0.000 1.140 317 V CB -0.379 31.449 31.823 0.009 0.000 0.784 317 V HN 0.694 nan 8.190 nan 0.000 0.467 318 N N 1.421 120.172 118.700 0.086 0.000 2.104 318 N HA -0.074 4.666 4.740 -0.000 0.000 0.190 318 N C -0.591 174.945 175.510 0.043 0.000 1.024 318 N CA 1.974 55.057 53.050 0.054 0.000 0.853 318 N CB -0.653 37.864 38.487 0.051 0.000 1.008 318 N HN 0.473 nan 8.380 nan 0.000 0.424 319 P HA -0.031 nan 4.420 nan 0.000 0.245 319 P C 1.060 178.363 177.300 0.005 0.000 1.212 319 P CA 0.708 63.822 63.100 0.022 0.000 0.774 319 P CB -0.184 31.522 31.700 0.009 0.000 0.999 320 M N -2.824 116.798 119.600 0.037 0.000 2.333 320 M HA 0.260 4.740 4.480 -0.000 0.000 0.257 320 M C 0.167 176.430 176.300 -0.062 0.000 1.078 320 M CA 0.084 55.380 55.300 -0.006 0.000 1.005 320 M CB -0.180 32.465 32.600 0.075 0.000 1.444 320 M HN -0.315 nan 8.290 nan 0.000 0.496 321 L N 2.653 123.849 121.223 -0.045 0.000 2.426 321 L HA 0.314 4.654 4.340 -0.000 0.000 0.271 321 L C 0.838 177.663 176.870 -0.076 0.000 1.169 321 L CA -0.436 54.368 54.840 -0.061 0.000 0.836 321 L CB 0.857 42.895 42.059 -0.036 0.000 1.112 321 L HN 0.382 nan 8.230 nan 0.000 0.465 322 T N -0.702 113.801 114.554 -0.085 0.000 2.881 322 T HA 0.509 4.859 4.350 -0.000 0.000 0.278 322 T C 0.393 175.063 174.700 -0.051 0.000 0.982 322 T CA -0.529 61.520 62.100 -0.084 0.000 0.989 322 T CB 1.579 70.389 68.868 -0.097 0.000 1.058 322 T HN 0.642 nan 8.240 nan 0.000 0.529 323 A N 1.052 123.846 122.820 -0.044 0.000 3.163 323 A HA 0.263 4.583 4.320 -0.000 0.000 0.283 323 A C 0.477 178.052 177.584 -0.016 0.000 1.412 323 A CA -0.594 51.428 52.037 -0.026 0.000 1.053 323 A CB -0.932 18.053 19.000 -0.025 0.000 1.082 323 A HN 0.883 nan 8.150 nan 0.000 0.639 324 D N 0.505 120.898 120.400 -0.012 0.000 2.414 324 D HA 0.052 4.692 4.640 -0.000 0.000 0.242 324 D C 0.757 177.066 176.300 0.015 0.000 1.129 324 D CA 0.247 54.252 54.000 0.007 0.000 0.885 324 D CB 0.823 41.633 40.800 0.017 0.000 1.198 324 D HN 0.342 nan 8.370 nan 0.000 0.437 325 K N 1.842 122.255 120.400 0.022 0.000 2.283 325 K HA -0.119 4.201 4.320 -0.000 0.000 0.202 325 K C 1.568 178.187 176.600 0.032 0.000 1.048 325 K CA 0.829 57.129 56.287 0.022 0.000 0.948 325 K CB 0.217 32.729 32.500 0.020 0.000 0.742 325 K HN 0.489 nan 8.250 nan 0.000 0.458 326 Q N -0.082 119.749 119.800 0.051 0.000 2.403 326 Q HA 0.070 4.410 4.340 -0.000 0.000 0.203 326 Q C 0.699 176.746 176.000 0.078 0.000 0.932 326 Q CA 0.229 56.077 55.803 0.076 0.000 0.945 326 Q CB 0.613 29.429 28.738 0.130 0.000 1.045 326 Q HN 0.405 nan 8.270 nan 0.000 0.511 327 G N 1.069 109.898 108.800 0.049 0.000 2.512 327 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.240 327 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.240 327 G C 0.141 175.062 174.900 0.035 0.000 1.246 327 G CA -0.133 44.989 45.100 0.038 0.000 0.919 327 G HN 0.226 nan 8.290 nan 0.000 0.577 328 L N -0.108 121.135 121.223 0.034 0.000 2.362 328 L HA 0.139 4.479 4.340 -0.000 0.000 0.219 328 L C 2.381 179.260 176.870 0.015 0.000 1.134 328 L CA 2.579 57.426 54.840 0.011 0.000 0.807 328 L CB -0.819 41.246 42.059 0.010 0.000 0.927 328 L HN 0.699 nan 8.230 nan 0.000 0.447 329 Y N -0.076 120.172 120.300 -0.087 0.000 2.274 329 Y HA -0.177 4.373 4.550 -0.000 0.000 0.290 329 Y C 2.108 177.918 175.900 -0.150 0.000 1.145 329 Y CA 1.588 59.614 58.100 -0.123 0.000 1.203 329 Y CB 0.054 38.447 38.460 -0.112 0.000 0.984 329 Y HN 0.124 nan 8.280 nan 0.000 0.533 330 R N -1.096 119.281 120.500 -0.205 0.000 2.369 330 R HA 0.117 4.457 4.340 -0.000 0.000 0.210 330 R C 2.331 178.567 176.300 -0.108 0.000 0.881 330 R CA 0.907 56.859 56.100 -0.247 0.000 1.031 330 R CB -0.736 29.477 30.300 -0.145 0.000 1.184 330 R HN 0.421 nan 8.270 nan 0.000 0.581 331 S N 1.899 117.552 115.700 -0.078 0.000 2.442 331 S HA -0.137 4.333 4.470 -0.000 0.000 0.236 331 S C 1.074 175.613 174.600 -0.102 0.000 1.007 331 S CA 1.559 59.716 58.200 -0.071 0.000 0.965 331 S CB -0.196 62.974 63.200 -0.049 0.000 0.773 331 S HN 0.309 nan 8.310 nan 0.000 0.504 332 D N 0.255 120.580 120.400 -0.125 0.000 2.368 332 D HA 0.153 4.793 4.640 -0.000 0.000 0.218 332 D C -0.115 176.084 176.300 -0.169 0.000 1.112 332 D CA -0.478 53.438 54.000 -0.140 0.000 0.834 332 D CB -1.021 39.695 40.800 -0.140 0.000 0.953 332 D HN 0.495 nan 8.370 nan 0.000 0.505 333 N N 0.877 119.462 118.700 -0.192 0.000 2.493 333 N HA 0.055 4.795 4.740 -0.000 0.000 0.275 333 N C -0.482 174.881 175.510 -0.246 0.000 1.186 333 N CA -0.619 52.253 53.050 -0.296 0.000 0.978 333 N CB 0.324 38.573 38.487 -0.397 0.000 1.184 333 N HN 0.079 nan 8.380 nan 0.000 0.487 334 H N -1.264 117.807 119.070 0.003 0.000 2.506 334 H HA -0.184 4.372 4.556 -0.000 0.000 0.323 334 H C -0.232 175.086 175.328 -0.017 0.000 1.076 334 H CA 0.077 56.127 56.048 0.002 0.000 1.108 334 H CB -1.911 27.882 29.762 0.051 0.000 1.569 334 H HN 0.600 nan 8.280 nan 0.000 0.399 335 A N 0.550 123.380 122.820 0.017 0.000 2.477 335 A HA 0.199 4.519 4.320 -0.000 0.000 0.246 335 A C 0.299 177.932 177.584 0.081 0.000 1.078 335 A CA -0.391 51.608 52.037 -0.063 0.000 0.770 335 A CB 0.234 19.180 19.000 -0.091 0.000 1.011 335 A HN 0.421 nan 8.150 nan 0.000 0.494 336 W N 3.877 125.100 121.300 -0.128 0.000 1.836 336 W HA 0.368 5.028 4.660 -0.000 0.000 0.449 336 W C -0.478 175.894 176.519 -0.245 0.000 0.787 336 W CA -0.670 56.563 57.345 -0.188 0.000 1.729 336 W CB -1.035 28.380 29.460 -0.075 0.000 1.802 336 W HN 0.364 nan 8.180 nan 0.000 0.257 337 L N 2.440 123.585 121.223 -0.130 0.000 2.326 337 L HA 0.510 4.850 4.340 -0.000 0.000 0.278 337 L C -0.471 176.183 176.870 -0.361 0.000 1.092 337 L CA -0.450 54.328 54.840 -0.104 0.000 0.810 337 L CB 0.490 42.563 42.059 0.023 0.000 1.153 337 L HN -0.096 nan 8.230 nan 0.000 0.439 338 F N 0.190 120.257 119.950 0.195 0.000 2.557 338 F HA 0.431 4.958 4.527 -0.000 0.000 0.316 338 F C 0.700 176.677 175.800 0.294 0.000 1.141 338 F CA -0.725 57.409 58.000 0.223 0.000 0.922 338 F CB 1.857 40.976 39.000 0.198 0.000 1.194 338 F HN 0.418 nan 8.300 nan 0.000 0.443 339 G N 3.099 112.177 108.800 0.464 0.000 2.361 339 G HA2 0.198 4.158 3.960 -0.000 0.000 0.260 339 G HA3 0.198 4.158 3.960 -0.000 0.000 0.260 339 G C -0.920 174.327 174.900 0.578 0.000 1.261 339 G CA -0.186 45.168 45.100 0.424 0.000 0.897 339 G HN 0.701 nan 8.290 nan 0.000 0.499 340 W N 1.928 123.379 121.300 0.251 0.000 3.518 340 W HA 0.439 5.099 4.660 -0.000 0.000 0.331 340 W C -0.099 176.517 176.519 0.162 0.000 1.205 340 W CA -0.983 56.502 57.345 0.233 0.000 0.956 340 W CB 1.325 30.991 29.460 0.344 0.000 1.645 340 W HN 0.317 nan 8.180 nan 0.000 0.615 341 K N 1.999 122.197 120.400 -0.336 0.000 2.527 341 K HA -0.076 4.244 4.320 -0.000 0.000 0.278 341 K C 0.049 176.622 176.600 -0.045 0.000 0.981 341 K CA 0.816 56.927 56.287 -0.293 0.000 1.009 341 K CB 0.114 32.343 32.500 -0.452 0.000 0.895 341 K HN 0.311 nan 8.250 nan 0.000 0.493 342 K N 0.815 121.189 120.400 -0.043 0.000 3.077 342 K HA -0.278 4.042 4.320 -0.000 0.000 0.264 342 K C 0.641 177.279 176.600 0.064 0.000 1.008 342 K CA 0.452 56.746 56.287 0.011 0.000 0.740 342 K CB -1.937 30.570 32.500 0.011 0.000 1.273 342 K HN 1.151 nan 8.250 nan 0.000 0.477 343 G N -0.573 108.267 108.800 0.068 0.000 2.184 343 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.264 343 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.264 343 G C 0.153 175.106 174.900 0.088 0.000 0.975 343 G CA 0.516 45.666 45.100 0.083 0.000 0.642 343 G HN 0.928 nan 8.290 nan 0.000 0.536 344 S N -1.041 114.734 115.700 0.124 0.000 2.617 344 S HA 0.733 5.203 4.470 -0.000 0.000 0.269 344 S C -0.088 174.640 174.600 0.214 0.000 1.292 344 S CA -0.081 58.187 58.200 0.112 0.000 1.010 344 S CB 2.588 65.861 63.200 0.121 0.000 0.944 344 S HN 1.117 nan 8.310 nan 0.000 0.536 345 V N 2.546 122.561 119.914 0.168 0.000 2.577 345 V HA 0.463 4.583 4.120 -0.000 0.000 0.303 345 V C -0.970 175.331 176.094 0.346 0.000 1.042 345 V CA -0.725 61.720 62.300 0.241 0.000 0.872 345 V CB 1.316 33.150 31.823 0.019 0.000 0.998 345 V HN 0.896 nan 8.190 nan 0.000 0.423 346 F N 4.178 124.230 119.950 0.170 0.000 2.404 346 F HA 0.485 5.012 4.527 -0.000 0.000 0.345 346 F C 0.254 176.085 175.800 0.052 0.000 1.110 346 F CA -0.074 57.851 58.000 -0.125 0.000 1.130 346 F CB 1.320 40.046 39.000 -0.456 0.000 1.129 346 F HN 0.515 nan 8.300 nan 0.000 0.500 347 Q N 5.782 125.144 119.800 -0.730 0.000 2.400 347 Q HA 0.427 4.767 4.340 -0.000 0.000 0.255 347 Q C -0.265 175.195 176.000 -0.900 0.000 1.008 347 Q CA -0.202 55.320 55.803 -0.468 0.000 0.841 347 Q CB 1.646 30.327 28.738 -0.095 0.000 1.220 347 Q HN 0.960 nan 8.270 nan 0.000 0.474 348 A N 2.960 125.514 122.820 -0.444 0.000 2.123 348 A HA 0.415 4.735 4.320 -0.000 0.000 0.214 348 A C 0.837 178.395 177.584 -0.043 0.000 1.152 348 A CA 1.193 53.142 52.037 -0.146 0.000 0.728 348 A CB 0.190 19.455 19.000 0.442 0.000 0.814 348 A HN 0.845 nan 8.150 nan 0.000 0.464 349 G N -1.827 106.798 108.800 -0.293 0.000 2.399 349 G HA2 0.293 4.253 3.960 -0.000 0.000 0.256 349 G HA3 0.293 4.253 3.960 -0.000 0.000 0.256 349 G C -2.564 171.699 174.900 -1.062 0.000 1.236 349 G CA 0.223 44.826 45.100 -0.829 0.000 0.914 349 G HN -0.167 nan 8.290 nan 0.000 0.482 350 P HA 0.059 nan 4.420 nan 0.000 0.230 350 P C 1.117 177.985 177.300 -0.719 0.000 1.158 350 P CA 1.259 63.509 63.100 -1.417 0.000 0.769 350 P CB -0.102 31.107 31.700 -0.819 0.000 0.807 351 S N -1.016 114.385 115.700 -0.498 0.000 2.589 351 S HA 0.097 4.567 4.470 -0.000 0.000 0.265 351 S C 1.391 175.835 174.600 -0.260 0.000 1.342 351 S CA -0.098 57.924 58.200 -0.295 0.000 1.005 351 S CB -0.076 62.995 63.200 -0.214 0.000 0.909 351 S HN -0.042 nan 8.310 nan 0.000 0.555 352 T N 1.445 115.898 114.554 -0.169 0.000 2.746 352 T HA 0.047 4.397 4.350 -0.000 0.000 0.267 352 T C 0.969 175.596 174.700 -0.122 0.000 1.039 352 T CA 1.394 63.417 62.100 -0.127 0.000 1.142 352 T CB -0.624 68.196 68.868 -0.080 0.000 0.866 352 T HN 0.950 nan 8.240 nan 0.000 0.444 353 A N 1.992 124.742 122.820 -0.118 0.000 2.354 353 A HA 0.588 4.908 4.320 -0.000 0.000 0.281 353 A C 0.096 177.586 177.584 -0.157 0.000 1.174 353 A CA -0.291 51.683 52.037 -0.106 0.000 0.828 353 A CB -0.158 18.796 19.000 -0.077 0.000 1.099 353 A HN 0.394 nan 8.150 nan 0.000 0.516 354 M N 3.066 122.568 119.600 -0.164 0.000 2.367 354 M HA 0.349 4.829 4.480 -0.000 0.000 0.339 354 M C -0.224 175.903 176.300 -0.288 0.000 1.177 354 M CA -0.204 54.923 55.300 -0.288 0.000 1.068 354 M CB 1.207 33.655 32.600 -0.254 0.000 1.602 354 M HN 0.716 nan 8.290 nan 0.000 0.457 355 N N 1.020 119.458 118.700 -0.437 0.000 2.357 355 N HA 0.446 5.186 4.740 -0.000 0.000 0.284 355 N C -2.032 173.201 175.510 -0.463 0.000 1.236 355 N CA -0.528 52.300 53.050 -0.370 0.000 0.774 355 N CB 2.029 40.284 38.487 -0.387 0.000 1.534 355 N HN 0.592 nan 8.380 nan 0.000 0.478 356 W N 0.904 122.042 121.300 -0.270 0.000 2.478 356 W HA 0.424 5.084 4.660 -0.000 0.000 0.318 356 W C -0.643 175.507 176.519 -0.615 0.000 1.062 356 W CA -0.507 56.675 57.345 -0.271 0.000 1.210 356 W CB 0.808 30.151 29.460 -0.196 0.000 1.325 356 W HN 0.364 nan 8.180 nan 0.000 0.496 357 Y N 2.664 122.893 120.300 -0.119 0.000 2.352 357 Y HA 0.389 4.939 4.550 -0.000 0.000 0.339 357 Y C -0.538 175.091 175.900 -0.451 0.000 0.992 357 Y CA -1.116 56.849 58.100 -0.225 0.000 1.100 357 Y CB 1.015 39.342 38.460 -0.222 0.000 1.192 357 Y HN 0.255 nan 8.280 nan 0.000 0.458 358 Y N 0.014 120.390 120.300 0.126 0.000 2.446 358 Y HA 0.349 4.899 4.550 -0.000 0.000 0.338 358 Y C 1.049 176.967 175.900 0.029 0.000 1.055 358 Y CA -0.857 57.279 58.100 0.061 0.000 1.101 358 Y CB 1.876 40.374 38.460 0.062 0.000 1.221 358 Y HN 0.633 nan 8.280 nan 0.000 0.460 359 T N -3.523 111.125 114.554 0.157 0.000 3.044 359 T HA 0.111 4.461 4.350 -0.000 0.000 0.260 359 T C 0.249 175.036 174.700 0.145 0.000 1.019 359 T CA -0.186 61.993 62.100 0.131 0.000 0.921 359 T CB -0.349 68.566 68.868 0.080 0.000 1.053 359 T HN 0.490 nan 8.240 nan 0.000 0.533 360 S N 0.906 116.692 115.700 0.143 0.000 2.528 360 S HA 0.604 5.074 4.470 -0.000 0.000 0.277 360 S C 1.236 175.893 174.600 0.095 0.000 1.297 360 S CA -0.020 58.239 58.200 0.099 0.000 1.052 360 S CB 0.397 63.640 63.200 0.072 0.000 0.917 360 S HN 1.245 nan 8.310 nan 0.000 0.492 361 G N 2.916 111.764 108.800 0.080 0.000 2.531 361 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.274 361 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.274 361 G C 0.621 175.582 174.900 0.102 0.000 1.159 361 G CA 0.065 45.211 45.100 0.076 0.000 0.969 361 G HN 1.305 nan 8.290 nan 0.000 0.554 362 S N 2.113 117.875 115.700 0.103 0.000 2.660 362 S HA 0.493 4.963 4.470 -0.000 0.000 0.227 362 S C 1.039 175.736 174.600 0.162 0.000 0.948 362 S CA 1.458 59.732 58.200 0.124 0.000 0.948 362 S CB -0.503 62.758 63.200 0.102 0.000 0.779 362 S HN 2.413 nan 8.310 nan 0.000 0.487 363 G N 1.241 110.148 108.800 0.178 0.000 2.746 363 G HA2 0.034 3.993 3.960 -0.000 0.000 0.685 363 G HA3 0.034 3.993 3.960 -0.000 0.000 0.685 363 G C -1.265 173.771 174.900 0.227 0.000 1.350 363 G CA -0.472 44.770 45.100 0.236 0.000 0.837 363 G HN 0.345 nan 8.290 nan 0.000 0.564 364 D N -2.096 118.487 120.400 0.305 0.000 2.671 364 D HA 0.686 5.325 4.640 -0.000 0.000 0.273 364 D C -1.228 175.293 176.300 0.368 0.000 1.264 364 D CA 0.527 54.698 54.000 0.285 0.000 0.788 364 D CB 2.083 42.989 40.800 0.176 0.000 1.324 364 D HN 1.278 nan 8.370 nan 0.000 0.424 365 V N 1.126 121.188 119.914 0.245 0.000 2.888 365 V HA 0.721 4.841 4.120 -0.000 0.000 0.309 365 V C -1.656 174.514 176.094 0.127 0.000 1.114 365 V CA -0.453 61.888 62.300 0.068 0.000 0.940 365 V CB 1.938 33.703 31.823 -0.097 0.000 1.021 365 V HN 0.605 nan 8.190 nan 0.000 0.426 366 K N 3.173 123.655 120.400 0.137 0.000 2.498 366 K HA 0.549 4.869 4.320 -0.000 0.000 0.254 366 K C -0.877 175.813 176.600 0.149 0.000 0.933 366 K CA -0.419 55.981 56.287 0.188 0.000 0.806 366 K CB 2.153 34.847 32.500 0.324 0.000 1.301 366 K HN 0.744 nan 8.250 nan 0.000 0.432 367 S N 1.804 117.571 115.700 0.112 0.000 2.533 367 S HA 0.268 4.738 4.470 -0.000 0.000 0.282 367 S C 0.452 175.152 174.600 0.166 0.000 1.304 367 S CA 0.103 58.352 58.200 0.082 0.000 1.063 367 S CB 0.688 63.922 63.200 0.055 0.000 0.881 367 S HN 0.626 nan 8.310 nan 0.000 0.493 368 A N 4.116 127.006 122.820 0.116 0.000 2.465 368 A HA 0.638 4.958 4.320 -0.000 0.000 0.255 368 A C 1.077 178.728 177.584 0.112 0.000 1.274 368 A CA 0.289 52.432 52.037 0.178 0.000 0.920 368 A CB -1.004 18.031 19.000 0.058 0.000 1.033 368 A HN 1.856 nan 8.150 nan 0.000 0.516 369 G N -0.044 108.796 108.800 0.067 0.000 2.728 369 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.294 369 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.294 369 G C -0.564 174.341 174.900 0.008 0.000 1.342 369 G CA -0.454 44.673 45.100 0.044 0.000 0.866 369 G HN 0.489 nan 8.290 nan 0.000 0.534 370 K N -0.192 120.210 120.400 0.004 0.000 2.110 370 K HA 0.475 4.795 4.320 -0.000 0.000 0.263 370 K C 0.682 177.267 176.600 -0.025 0.000 0.975 370 K CA -0.779 55.495 56.287 -0.021 0.000 0.895 370 K CB 1.542 34.033 32.500 -0.015 0.000 1.060 370 K HN 0.595 nan 8.250 nan 0.000 0.448 371 R N 3.330 123.789 120.500 -0.069 0.000 2.288 371 R HA -0.011 4.329 4.340 -0.000 0.000 0.330 371 R C -0.418 175.796 176.300 -0.144 0.000 1.069 371 R CA 0.322 56.347 56.100 -0.124 0.000 0.941 371 R CB 0.200 30.392 30.300 -0.179 0.000 0.998 371 R HN 0.731 nan 8.270 nan 0.000 0.452 372 Q N 1.903 121.671 119.800 -0.053 0.000 2.831 372 Q HA 0.587 4.927 4.340 -0.000 0.000 0.322 372 Q C -1.424 174.717 176.000 0.234 0.000 0.923 372 Q CA -1.035 54.814 55.803 0.076 0.000 0.767 372 Q CB 1.838 30.615 28.738 0.066 0.000 1.469 372 Q HN 0.598 nan 8.270 nan 0.000 0.496 373 S N -1.250 114.600 115.700 0.250 0.000 2.755 373 S HA 0.288 4.758 4.470 -0.000 0.000 0.286 373 S C -0.079 174.594 174.600 0.122 0.000 1.207 373 S CA -0.252 58.093 58.200 0.242 0.000 0.892 373 S CB 0.117 63.554 63.200 0.395 0.000 1.240 373 S HN 0.825 nan 8.310 nan 0.000 0.525 374 N N 0.377 119.121 118.700 0.072 0.000 2.494 374 N HA -0.040 4.700 4.740 -0.000 0.000 0.182 374 N C 1.048 176.536 175.510 -0.037 0.000 1.076 374 N CA 0.181 53.239 53.050 0.015 0.000 0.908 374 N CB -0.158 38.331 38.487 0.004 0.000 0.967 374 N HN 0.468 nan 8.380 nan 0.000 0.449 375 R N 0.606 121.058 120.500 -0.081 0.000 2.310 375 R HA 0.178 4.518 4.340 -0.000 0.000 0.202 375 R C 0.752 177.013 176.300 -0.065 0.000 0.933 375 R CA 0.387 56.389 56.100 -0.164 0.000 1.054 375 R CB 0.308 30.340 30.300 -0.447 0.000 0.985 375 R HN 0.307 nan 8.270 nan 0.000 0.489 376 G N -0.063 108.743 108.800 0.010 0.000 2.384 376 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.668 376 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.668 376 G C -1.025 173.923 174.900 0.080 0.000 1.280 376 G CA -1.002 44.118 45.100 0.033 0.000 0.992 376 G HN -0.063 nan 8.290 nan 0.000 0.512 377 V N 1.251 121.198 119.914 0.056 0.000 2.488 377 V HA 0.548 4.668 4.120 -0.000 0.000 0.277 377 V C 1.263 177.395 176.094 0.064 0.000 1.046 377 V CA 0.310 62.640 62.300 0.050 0.000 0.986 377 V CB 0.817 32.653 31.823 0.021 0.000 0.989 377 V HN 1.869 nan 8.190 nan 0.000 0.475 378 A N 9.115 131.971 122.820 0.060 0.000 2.454 378 A HA 0.576 4.896 4.320 -0.000 0.000 0.260 378 A C -1.627 175.966 177.584 0.016 0.000 1.106 378 A CA -1.037 51.042 52.037 0.070 0.000 0.780 378 A CB -0.110 18.870 19.000 -0.033 0.000 1.044 378 A HN 0.694 nan 8.150 nan 0.000 0.498 379 P HA 0.145 nan 4.420 nan 0.000 0.277 379 P C -0.807 176.474 177.300 -0.031 0.000 1.276 379 P CA -0.521 62.578 63.100 -0.003 0.000 0.788 379 P CB 0.471 32.176 31.700 0.009 0.000 1.114 380 D N -0.443 119.924 120.400 -0.055 0.000 2.458 380 D HA 0.247 4.887 4.640 -0.000 0.000 0.243 380 D C 0.110 176.366 176.300 -0.073 0.000 1.146 380 D CA 0.582 54.524 54.000 -0.097 0.000 0.877 380 D CB 0.098 40.842 40.800 -0.092 0.000 1.176 380 D HN 0.332 nan 8.370 nan 0.000 0.461 381 A N 3.137 125.895 122.820 -0.103 0.000 3.204 381 A HA 0.244 4.564 4.320 -0.000 0.000 0.327 381 A C 0.037 177.628 177.584 0.011 0.000 0.998 381 A CA -0.710 51.331 52.037 0.006 0.000 0.891 381 A CB 0.075 19.185 19.000 0.184 0.000 1.061 381 A HN 0.419 nan 8.150 nan 0.000 0.478 382 M N 0.756 120.318 119.600 -0.065 0.000 2.238 382 M HA 0.279 4.759 4.480 -0.000 0.000 0.350 382 M C 0.705 176.965 176.300 -0.068 0.000 1.321 382 M CA 0.603 55.861 55.300 -0.070 0.000 1.097 382 M CB -0.798 31.748 32.600 -0.090 0.000 1.713 382 M HN 0.889 nan 8.290 nan 0.000 0.455 383 C N 3.308 122.627 119.300 0.031 0.000 4.456 383 C HA -0.098 4.362 4.460 -0.000 0.000 0.288 383 C C 0.895 175.893 174.990 0.013 0.000 1.374 383 C CA 0.404 59.429 59.018 0.011 0.000 1.956 383 C CB -2.839 24.829 27.740 -0.121 0.000 1.255 383 C HN 1.150 nan 8.230 nan 0.000 0.788 384 G N 0.213 109.127 108.800 0.190 0.000 2.451 384 G HA2 0.573 4.533 3.960 -0.000 0.000 0.303 384 G HA3 0.573 4.533 3.960 -0.000 0.000 0.303 384 G C -0.431 174.219 174.900 -0.417 0.000 1.166 384 G CA -0.367 44.774 45.100 0.069 0.000 0.884 384 G HN 0.667 nan 8.290 nan 0.000 0.514 385 N N -0.815 117.334 118.700 -0.919 0.000 2.482 385 N HA 0.616 5.356 4.740 -0.000 0.000 0.279 385 N C -0.506 174.091 175.510 -1.522 0.000 1.182 385 N CA -0.542 51.805 53.050 -1.171 0.000 0.969 385 N CB 1.881 39.758 38.487 -1.016 0.000 1.201 385 N HN 0.662 nan 8.380 nan 0.000 0.523 386 A N 0.922 123.113 122.820 -1.048 0.000 2.429 386 A HA 0.534 4.854 4.320 -0.000 0.000 0.289 386 A C -1.306 176.273 177.584 -0.008 0.000 1.043 386 A CA -0.494 51.188 52.037 -0.592 0.000 0.722 386 A CB 0.839 19.536 19.000 -0.505 0.000 1.243 386 A HN 0.367 nan 8.150 nan 0.000 0.415 387 V N 3.209 123.195 119.914 0.119 0.000 2.588 387 V HA 0.499 4.619 4.120 -0.000 0.000 0.304 387 V C -0.031 176.182 176.094 0.199 0.000 1.042 387 V CA -0.396 62.062 62.300 0.262 0.000 0.877 387 V CB 1.977 33.972 31.823 0.286 0.000 0.996 387 V HN 0.961 nan 8.190 nan 0.000 0.425 388 M N 5.223 124.919 119.600 0.160 0.000 2.111 388 M HA 0.297 4.777 4.480 -0.000 0.000 0.351 388 M C 0.368 176.721 176.300 0.088 0.000 1.214 388 M CA -0.522 54.737 55.300 -0.067 0.000 1.120 388 M CB 0.396 32.906 32.600 -0.151 0.000 1.443 388 M HN 0.881 nan 8.290 nan 0.000 0.429 389 Y N 1.197 121.532 120.300 0.058 0.000 2.490 389 Y HA 0.349 4.899 4.550 -0.000 0.000 0.285 389 Y C 0.062 176.014 175.900 0.087 0.000 1.117 389 Y CA -0.211 57.942 58.100 0.089 0.000 1.262 389 Y CB 0.271 38.792 38.460 0.102 0.000 1.043 389 Y HN 0.443 nan 8.280 nan 0.000 0.553 390 D N 0.654 120.898 120.400 -0.261 0.000 2.330 390 D HA 0.383 5.023 4.640 -0.000 0.000 0.249 390 D C 0.434 176.686 176.300 -0.080 0.000 1.306 390 D CA 0.028 53.958 54.000 -0.117 0.000 0.956 390 D CB 1.661 42.366 40.800 -0.158 0.000 1.261 390 D HN 0.235 nan 8.370 nan 0.000 0.544 391 A N 2.494 125.361 122.820 0.079 0.000 2.066 391 A HA -0.021 4.299 4.320 -0.000 0.000 0.218 391 A C 1.998 179.736 177.584 0.258 0.000 1.157 391 A CA 0.883 53.049 52.037 0.215 0.000 0.670 391 A CB 0.056 19.247 19.000 0.318 0.000 0.804 391 A HN 0.432 nan 8.150 nan 0.000 0.453 392 V N 0.199 120.199 119.914 0.144 0.000 2.358 392 V HA -0.139 3.981 4.120 -0.000 0.000 0.246 392 V C 1.856 178.024 176.094 0.124 0.000 1.047 392 V CA 1.831 64.198 62.300 0.111 0.000 1.035 392 V CB -0.414 31.445 31.823 0.061 0.000 0.658 392 V HN 0.390 nan 8.190 nan 0.000 0.452 393 K N 0.067 120.514 120.400 0.079 0.000 2.374 393 K HA 0.296 4.616 4.320 -0.000 0.000 0.196 393 K C 1.357 177.965 176.600 0.014 0.000 1.023 393 K CA 0.640 56.956 56.287 0.048 0.000 1.103 393 K CB 0.133 32.637 32.500 0.007 0.000 0.848 393 K HN 0.502 nan 8.250 nan 0.000 0.528 394 G N 2.817 111.642 108.800 0.042 0.000 2.273 394 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.280 394 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.280 394 G C -0.338 174.342 174.900 -0.367 0.000 1.047 394 G CA 0.140 45.129 45.100 -0.185 0.000 0.869 394 G HN 0.109 nan 8.290 nan 0.000 0.502 395 K N 0.126 120.294 120.400 -0.387 0.000 2.285 395 K HA 0.525 4.845 4.320 -0.000 0.000 0.286 395 K C 0.483 176.705 176.600 -0.629 0.000 1.072 395 K CA -0.228 55.738 56.287 -0.535 0.000 0.913 395 K CB 1.231 33.266 32.500 -0.775 0.000 1.067 395 K HN 0.386 nan 8.250 nan 0.000 0.479 396 I N 3.682 124.016 120.570 -0.393 0.000 2.465 396 I HA 0.237 4.407 4.170 -0.000 0.000 0.291 396 I C -0.606 175.515 176.117 0.007 0.000 1.014 396 I CA -1.221 59.911 61.300 -0.280 0.000 1.093 396 I CB 1.669 39.412 38.000 -0.429 0.000 1.267 396 I HN 0.259 nan 8.210 nan 0.000 0.431 397 L N 7.157 128.480 121.223 0.167 0.000 2.280 397 L HA 0.563 4.903 4.340 -0.000 0.000 0.287 397 L C 0.085 177.013 176.870 0.097 0.000 1.023 397 L CA 0.208 55.164 54.840 0.194 0.000 0.819 397 L CB 1.370 43.573 42.059 0.240 0.000 1.212 397 L HN 0.708 nan 8.230 nan 0.000 0.420 398 T N 2.136 116.709 114.554 0.031 0.000 2.855 398 T HA 0.828 5.178 4.350 -0.000 0.000 0.281 398 T C -0.549 174.140 174.700 -0.018 0.000 1.007 398 T CA -0.514 61.459 62.100 -0.212 0.000 1.009 398 T CB 1.138 69.952 68.868 -0.090 0.000 0.983 398 T HN 0.502 nan 8.240 nan 0.000 0.455 399 F N -0.967 118.895 119.950 -0.147 0.000 2.678 399 F HA 0.785 5.312 4.527 -0.000 0.000 0.308 399 F C 0.383 176.211 175.800 0.046 0.000 1.118 399 F CA -0.401 57.565 58.000 -0.056 0.000 0.959 399 F CB 0.772 39.738 39.000 -0.057 0.000 1.305 399 F HN 1.177 nan 8.300 nan 0.000 0.443 400 G N 0.425 109.331 108.800 0.177 0.000 2.598 400 G HA2 0.457 4.417 3.960 -0.000 0.000 0.244 400 G HA3 0.457 4.417 3.960 -0.000 0.000 0.244 400 G C 0.262 175.237 174.900 0.125 0.000 1.302 400 G CA 0.398 45.547 45.100 0.081 0.000 0.903 400 G HN 3.218 nan 8.290 nan 0.000 0.575 401 G N -2.661 106.198 108.800 0.098 0.000 2.707 401 G HA2 0.507 4.467 3.960 -0.000 0.000 0.686 401 G HA3 0.507 4.467 3.960 -0.000 0.000 0.686 401 G C -0.044 174.826 174.900 -0.049 0.000 1.315 401 G CA 0.739 45.865 45.100 0.043 0.000 0.832 401 G HN 2.894 nan 8.290 nan 0.000 0.573 402 S N -0.134 115.505 115.700 -0.102 0.000 2.569 402 S HA 0.820 5.290 4.470 -0.000 0.000 0.280 402 S C -1.770 172.781 174.600 -0.083 0.000 1.111 402 S CA -0.829 57.305 58.200 -0.111 0.000 0.887 402 S CB 2.889 65.978 63.200 -0.185 0.000 1.095 402 S HN 0.422 nan 8.310 nan 0.000 0.476 403 P HA -0.015 nan 4.420 nan 0.000 0.216 403 P C -0.309 176.969 177.300 -0.038 0.000 1.153 403 P CA 1.479 64.552 63.100 -0.045 0.000 0.858 403 P CB 0.017 31.698 31.700 -0.033 0.000 0.789 404 D N -3.553 116.828 120.400 -0.032 0.000 2.340 404 D HA 0.103 4.743 4.640 -0.000 0.000 0.243 404 D C 0.638 176.949 176.300 0.018 0.000 0.988 404 D CA -0.662 53.344 54.000 0.010 0.000 0.959 404 D CB 0.665 41.479 40.800 0.023 0.000 1.226 404 D HN -0.068 nan 8.370 nan 0.000 0.509 405 Y N 0.646 120.924 120.300 -0.036 0.000 2.114 405 Y HA -0.174 4.376 4.550 -0.000 0.000 0.284 405 Y C 1.112 177.007 175.900 -0.009 0.000 1.143 405 Y CA 1.613 59.711 58.100 -0.003 0.000 1.135 405 Y CB 0.400 38.876 38.460 0.026 0.000 0.980 405 Y HN 0.385 nan 8.280 nan 0.000 0.499 406 Q N -0.937 119.004 119.800 0.234 0.000 2.399 406 Q HA 0.257 4.597 4.340 -0.000 0.000 0.276 406 Q C -0.932 175.096 176.000 0.046 0.000 1.098 406 Q CA -0.541 55.341 55.803 0.132 0.000 0.827 406 Q CB 1.875 30.693 28.738 0.133 0.000 1.386 406 Q HN 0.245 nan 8.270 nan 0.000 0.443 407 D N 0.182 120.593 120.400 0.018 0.000 2.697 407 D HA -0.157 4.483 4.640 -0.000 0.000 0.238 407 D C -1.122 175.167 176.300 -0.017 0.000 1.152 407 D CA 1.399 55.399 54.000 0.000 0.000 0.666 407 D CB -0.908 39.900 40.800 0.013 0.000 1.037 407 D HN 0.507 nan 8.370 nan 0.000 0.423 408 S N -0.291 115.381 115.700 -0.047 0.000 2.541 408 S HA 0.281 4.751 4.470 -0.000 0.000 0.271 408 S C -1.261 173.288 174.600 -0.086 0.000 1.133 408 S CA -0.841 57.324 58.200 -0.058 0.000 0.876 408 S CB 1.846 65.011 63.200 -0.060 0.000 1.105 408 S HN 0.016 nan 8.310 nan 0.000 0.470 409 D N 2.605 122.964 120.400 -0.069 0.000 2.350 409 D HA 0.503 5.143 4.640 -0.000 0.000 0.249 409 D C 0.313 176.561 176.300 -0.086 0.000 1.119 409 D CA 0.145 54.101 54.000 -0.073 0.000 0.886 409 D CB 1.513 42.283 40.800 -0.050 0.000 1.195 409 D HN 0.645 nan 8.370 nan 0.000 0.437 410 A N 1.867 124.626 122.820 -0.103 0.000 2.286 410 A HA 0.607 4.927 4.320 -0.000 0.000 0.286 410 A C 0.541 178.084 177.584 -0.069 0.000 1.097 410 A CA -0.428 51.545 52.037 -0.106 0.000 0.821 410 A CB 0.559 19.471 19.000 -0.145 0.000 1.076 410 A HN 0.582 nan 8.150 nan 0.000 0.490 411 T N -2.744 111.779 114.554 -0.052 0.000 2.940 411 T HA 0.550 4.900 4.350 -0.000 0.000 0.288 411 T C 0.639 175.314 174.700 -0.042 0.000 1.045 411 T CA 0.197 62.281 62.100 -0.028 0.000 1.018 411 T CB 1.127 70.004 68.868 0.015 0.000 1.151 411 T HN 0.939 nan 8.240 nan 0.000 0.529 412 T N -1.903 112.629 114.554 -0.037 0.000 3.144 412 T HA 0.208 4.558 4.350 -0.000 0.000 0.249 412 T C 0.336 175.000 174.700 -0.060 0.000 1.089 412 T CA -0.506 61.542 62.100 -0.086 0.000 0.989 412 T CB -1.070 67.730 68.868 -0.114 0.000 0.992 412 T HN 0.622 nan 8.240 nan 0.000 0.540 413 N N 2.103 120.821 118.700 0.030 0.000 2.359 413 N HA 0.410 5.150 4.740 -0.000 0.000 0.261 413 N C -0.490 174.913 175.510 -0.178 0.000 1.267 413 N CA 0.410 53.481 53.050 0.034 0.000 0.864 413 N CB 0.290 38.902 38.487 0.209 0.000 1.063 413 N HN 0.598 nan 8.380 nan 0.000 0.474 414 A N 2.522 124.907 122.820 -0.724 0.000 2.437 414 A HA 0.578 4.898 4.320 -0.000 0.000 0.293 414 A C -1.465 175.498 177.584 -1.035 0.000 1.038 414 A CA -0.638 51.051 52.037 -0.581 0.000 0.708 414 A CB 0.800 19.565 19.000 -0.392 0.000 1.251 414 A HN 0.795 nan 8.150 nan 0.000 0.409 415 H N 0.832 119.720 119.070 -0.304 0.000 2.865 415 H HA 0.679 5.235 4.556 -0.000 0.000 0.372 415 H C -0.782 174.500 175.328 -0.078 0.000 1.173 415 H CA -0.757 55.178 56.048 -0.189 0.000 1.147 415 H CB 1.634 31.362 29.762 -0.055 0.000 1.805 415 H HN 0.479 nan 8.280 nan 0.000 0.553 416 I N 2.932 123.564 120.570 0.103 0.000 2.389 416 I HA 0.289 4.459 4.170 -0.000 0.000 0.288 416 I C -0.402 175.766 176.117 0.085 0.000 0.999 416 I CA -0.295 61.065 61.300 0.100 0.000 1.129 416 I CB 0.854 38.929 38.000 0.124 0.000 1.288 416 I HN 0.471 nan 8.210 nan 0.000 0.444 417 I N 5.484 126.069 120.570 0.025 0.000 2.378 417 I HA 0.300 4.470 4.170 -0.000 0.000 0.291 417 I C 0.021 176.051 176.117 -0.145 0.000 0.992 417 I CA -0.351 60.926 61.300 -0.038 0.000 1.154 417 I CB 1.893 39.877 38.000 -0.026 0.000 1.315 417 I HN 0.435 nan 8.210 nan 0.000 0.448 418 T N 7.188 121.661 114.554 -0.135 0.000 2.770 418 T HA 0.482 4.832 4.350 -0.000 0.000 0.297 418 T C -0.008 174.558 174.700 -0.223 0.000 0.997 418 T CA -0.467 61.536 62.100 -0.161 0.000 0.949 418 T CB 0.550 69.380 68.868 -0.063 0.000 0.941 418 T HN 0.276 nan 8.240 nan 0.000 0.457 419 L N 2.720 123.727 121.223 -0.359 0.000 2.350 419 L HA 0.637 4.977 4.340 -0.000 0.000 0.275 419 L C 1.139 177.969 176.870 -0.066 0.000 1.099 419 L CA -0.225 54.370 54.840 -0.409 0.000 0.808 419 L CB 0.959 42.436 42.059 -0.970 0.000 1.149 419 L HN 0.793 nan 8.230 nan 0.000 0.442 420 G N 1.777 110.630 108.800 0.090 0.000 3.407 420 G HA2 0.287 4.247 3.960 -0.000 0.000 0.187 420 G HA3 0.287 4.247 3.960 -0.000 0.000 0.187 420 G C -0.560 174.530 174.900 0.317 0.000 1.262 420 G CA -0.268 44.948 45.100 0.194 0.000 0.808 420 G HN 0.429 nan 8.290 nan 0.000 0.687 421 E N 1.164 121.453 120.200 0.147 0.000 2.319 421 E HA 0.355 4.705 4.350 -0.000 0.000 0.268 421 E C -2.345 174.109 176.600 -0.243 0.000 1.050 421 E CA -1.749 54.674 56.400 0.039 0.000 0.878 421 E CB 1.366 31.058 29.700 -0.013 0.000 1.066 421 E HN 0.002 nan 8.360 nan 0.000 0.406 422 P HA 0.095 nan 4.420 nan 0.000 0.267 422 P C 0.563 177.428 177.300 -0.726 0.000 1.209 422 P CA 0.791 63.215 63.100 -1.128 0.000 0.763 422 P CB 0.516 31.918 31.700 -0.497 0.000 0.816 423 G N 1.765 109.932 108.800 -1.056 0.000 2.238 423 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.217 423 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.217 423 G C 0.217 175.074 174.900 -0.072 0.000 0.996 423 G CA 0.147 45.065 45.100 -0.304 0.000 0.632 423 G HN 0.754 nan 8.290 nan 0.000 0.503 424 T N -0.510 114.019 114.554 -0.042 0.000 2.867 424 T HA 0.682 5.032 4.350 -0.000 0.000 0.282 424 T C 0.203 175.106 174.700 0.339 0.000 1.000 424 T CA 0.259 62.438 62.100 0.132 0.000 1.042 424 T CB 1.983 70.897 68.868 0.077 0.000 0.973 424 T HN 0.412 nan 8.240 nan 0.000 0.465 425 S N 4.683 120.531 115.700 0.247 0.000 2.455 425 S HA 0.326 4.796 4.470 -0.000 0.000 0.278 425 S C -1.623 173.071 174.600 0.158 0.000 1.216 425 S CA -0.853 57.486 58.200 0.231 0.000 1.055 425 S CB -0.120 63.171 63.200 0.153 0.000 0.939 425 S HN 0.709 nan 8.310 nan 0.000 0.494 426 P HA 0.141 nan 4.420 nan 0.000 0.272 426 P C -0.596 176.721 177.300 0.029 0.000 1.223 426 P CA -0.550 62.563 63.100 0.021 0.000 0.784 426 P CB 0.444 32.062 31.700 -0.136 0.000 0.923 427 N N 0.885 119.595 118.700 0.016 0.000 2.430 427 N HA 0.208 4.948 4.740 -0.000 0.000 0.265 427 N C -0.732 174.803 175.510 0.041 0.000 1.100 427 N CA -0.127 52.944 53.050 0.035 0.000 0.961 427 N CB 0.164 38.671 38.487 0.034 0.000 1.075 427 N HN 0.375 nan 8.380 nan 0.000 0.478 428 T N 0.964 115.561 114.554 0.071 0.000 2.809 428 T HA 0.601 4.951 4.350 -0.000 0.000 0.284 428 T C -0.056 174.740 174.700 0.159 0.000 0.992 428 T CA -0.828 61.337 62.100 0.107 0.000 0.957 428 T CB 0.455 69.382 68.868 0.098 0.000 0.942 428 T HN 0.274 nan 8.240 nan 0.000 0.439 429 V N 0.568 120.591 119.914 0.182 0.000 3.126 429 V HA 0.824 4.944 4.120 -0.000 0.000 0.314 429 V C -0.674 175.564 176.094 0.239 0.000 1.138 429 V CA -1.559 60.864 62.300 0.205 0.000 1.034 429 V CB 1.595 33.506 31.823 0.147 0.000 1.075 429 V HN 0.789 nan 8.190 nan 0.000 0.442 430 F N 1.668 121.637 119.950 0.031 0.000 2.396 430 F HA 0.716 5.242 4.527 -0.000 0.000 0.343 430 F C 0.843 176.619 175.800 -0.041 0.000 1.104 430 F CA -0.045 57.890 58.000 -0.109 0.000 1.161 430 F CB 1.131 40.056 39.000 -0.126 0.000 1.146 430 F HN 0.868 nan 8.300 nan 0.000 0.522 431 A N 5.056 127.709 122.820 -0.278 0.000 2.437 431 A HA 0.471 4.791 4.320 -0.000 0.000 0.303 431 A C 0.754 178.432 177.584 0.157 0.000 1.324 431 A CA 0.693 52.678 52.037 -0.086 0.000 0.983 431 A CB -0.224 18.587 19.000 -0.314 0.000 1.142 431 A HN 1.153 nan 8.150 nan 0.000 0.541 432 S N 2.002 117.847 115.700 0.241 0.000 4.114 432 S HA -0.343 4.127 4.470 -0.000 0.000 0.618 432 S C 1.124 175.888 174.600 0.274 0.000 1.937 432 S CA 1.943 60.291 58.200 0.247 0.000 4.228 432 S CB -1.173 62.211 63.200 0.307 0.000 0.216 432 S HN 1.356 nan 8.310 nan 0.000 0.528 433 N N 1.804 120.617 118.700 0.188 0.000 2.200 433 N HA 0.421 5.161 4.740 -0.000 0.000 0.224 433 N C 0.260 175.839 175.510 0.115 0.000 1.179 433 N CA 1.803 54.920 53.050 0.113 0.000 0.877 433 N CB 0.790 39.245 38.487 -0.055 0.000 1.072 433 N HN 1.365 nan 8.380 nan 0.000 0.519 434 G N 0.042 108.878 108.800 0.059 0.000 2.627 434 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.214 434 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.214 434 G C -0.830 173.575 174.900 -0.825 0.000 1.331 434 G CA -0.455 44.479 45.100 -0.277 0.000 0.891 434 G HN 0.182 nan 8.290 nan 0.000 0.539 435 L N -0.203 120.554 121.223 -0.777 0.000 2.436 435 L HA 0.378 4.718 4.340 -0.000 0.000 0.265 435 L C 1.562 178.104 176.870 -0.546 0.000 1.168 435 L CA -0.585 53.773 54.840 -0.803 0.000 0.815 435 L CB 0.522 42.292 42.059 -0.482 0.000 1.109 435 L HN 0.645 nan 8.230 nan 0.000 0.462 436 Y N 0.610 120.592 120.300 -0.529 0.000 2.263 436 Y HA 0.000 4.550 4.550 -0.000 0.000 0.292 436 Y C 0.374 175.770 175.900 -0.840 0.000 1.130 436 Y CA 1.130 58.837 58.100 -0.654 0.000 1.179 436 Y CB 0.153 38.175 38.460 -0.731 0.000 0.998 436 Y HN 0.236 nan 8.280 nan 0.000 0.532 437 F N -0.794 119.140 119.950 -0.026 0.000 2.529 437 F HA 0.606 5.133 4.527 -0.000 0.000 0.320 437 F C 0.071 175.781 175.800 -0.150 0.000 1.118 437 F CA -1.980 55.971 58.000 -0.081 0.000 0.915 437 F CB 0.910 39.861 39.000 -0.082 0.000 1.161 437 F HN -0.284 nan 8.300 nan 0.000 0.445 438 A N 4.588 127.425 122.820 0.029 0.000 2.492 438 A HA 0.638 4.958 4.320 -0.000 0.000 0.254 438 A C 0.033 177.555 177.584 -0.103 0.000 1.091 438 A CA -0.332 51.667 52.037 -0.063 0.000 0.768 438 A CB -0.032 18.937 19.000 -0.053 0.000 1.028 438 A HN 0.872 nan 8.150 nan 0.000 0.498 439 R N 0.948 121.323 120.500 -0.208 0.000 2.626 439 R HA 0.786 5.126 4.340 -0.000 0.000 0.274 439 R C -0.991 175.108 176.300 -0.335 0.000 1.031 439 R CA -0.545 55.380 56.100 -0.293 0.000 0.898 439 R CB 1.637 31.717 30.300 -0.367 0.000 1.222 439 R HN 0.496 nan 8.270 nan 0.000 0.455 440 T N 1.219 115.660 114.554 -0.188 0.000 2.903 440 T HA 0.537 4.887 4.350 -0.000 0.000 0.299 440 T C -0.685 173.986 174.700 -0.048 0.000 1.093 440 T CA -0.275 61.736 62.100 -0.148 0.000 1.002 440 T CB 0.566 69.136 68.868 -0.497 0.000 1.127 440 T HN 0.556 nan 8.240 nan 0.000 0.488 441 F N 1.761 121.769 119.950 0.096 0.000 2.884 441 F HA -0.151 4.376 4.527 -0.000 0.000 0.294 441 F C 0.682 176.485 175.800 0.005 0.000 0.723 441 F CA 0.830 58.826 58.000 -0.007 0.000 1.294 441 F CB -2.819 36.169 39.000 -0.020 0.000 1.551 441 F HN 0.820 nan 8.300 nan 0.000 0.363 442 H N -0.278 118.822 119.070 0.049 0.000 2.508 442 H HA 0.770 5.326 4.556 -0.000 0.000 0.358 442 H C 0.481 175.810 175.328 0.002 0.000 1.212 442 H CA 0.196 56.249 56.048 0.007 0.000 1.356 442 H CB 1.110 30.875 29.762 0.004 0.000 1.525 442 H HN 0.172 nan 8.280 nan 0.000 0.578 443 T N -1.161 113.375 114.554 -0.030 0.000 2.916 443 T HA 0.629 4.979 4.350 -0.000 0.000 0.292 443 T C -0.448 174.261 174.700 0.016 0.000 1.055 443 T CA -0.768 61.289 62.100 -0.072 0.000 1.009 443 T CB 1.583 70.432 68.868 -0.032 0.000 1.118 443 T HN 0.916 nan 8.240 nan 0.000 0.497 444 S N -0.363 115.366 115.700 0.048 0.000 2.570 444 S HA 0.823 5.293 4.470 -0.000 0.000 0.270 444 S C -0.880 173.821 174.600 0.169 0.000 1.149 444 S CA -0.649 57.638 58.200 0.145 0.000 0.837 444 S CB 1.291 64.699 63.200 0.348 0.000 1.124 444 S HN 1.824 nan 8.310 nan 0.000 0.465 445 V N -1.465 118.588 119.914 0.230 0.000 3.049 445 V HA 0.880 5.000 4.120 -0.000 0.000 0.309 445 V C -0.388 175.843 176.094 0.229 0.000 1.148 445 V CA -0.957 61.477 62.300 0.224 0.000 0.990 445 V CB 1.298 33.262 31.823 0.236 0.000 1.039 445 V HN 1.097 nan 8.190 nan 0.000 0.430 446 V N 4.820 124.848 119.914 0.189 0.000 2.461 446 V HA 0.515 4.635 4.120 -0.000 0.000 0.275 446 V C -0.012 176.155 176.094 0.122 0.000 1.047 446 V CA -0.153 62.252 62.300 0.175 0.000 0.955 446 V CB 0.798 32.734 31.823 0.189 0.000 0.988 446 V HN 0.791 nan 8.190 nan 0.000 0.471 447 L N 7.952 129.242 121.223 0.111 0.000 2.421 447 L HA 0.410 4.750 4.340 -0.000 0.000 0.263 447 L C -1.338 175.488 176.870 -0.073 0.000 1.122 447 L CA -1.733 53.138 54.840 0.052 0.000 0.804 447 L CB 0.828 42.995 42.059 0.181 0.000 1.150 447 L HN 0.409 nan 8.230 nan 0.000 0.457 448 P HA -0.191 nan 4.420 nan 0.000 0.217 448 P C 0.514 177.677 177.300 -0.227 0.000 1.148 448 P CA 1.227 64.076 63.100 -0.419 0.000 0.828 448 P CB 0.027 31.203 31.700 -0.874 0.000 0.783 449 D N -2.446 117.841 120.400 -0.189 0.000 2.328 449 D HA 0.086 4.726 4.640 -0.000 0.000 0.226 449 D C 1.416 177.700 176.300 -0.027 0.000 1.066 449 D CA 0.641 54.579 54.000 -0.104 0.000 0.861 449 D CB -0.786 39.961 40.800 -0.088 0.000 0.912 449 D HN 0.243 nan 8.370 nan 0.000 0.521 450 G N 0.258 109.066 108.800 0.013 0.000 2.194 450 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.236 450 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.236 450 G C 0.389 175.297 174.900 0.013 0.000 0.987 450 G CA 0.285 45.427 45.100 0.071 0.000 0.635 450 G HN 0.795 nan 8.290 nan 0.000 0.520 451 S N 0.088 115.788 115.700 -0.000 0.000 2.601 451 S HA 0.654 5.124 4.470 -0.000 0.000 0.271 451 S C -0.011 174.629 174.600 0.066 0.000 1.305 451 S CA 0.561 58.750 58.200 -0.018 0.000 1.022 451 S CB 1.903 65.110 63.200 0.011 0.000 0.940 451 S HN 0.596 nan 8.310 nan 0.000 0.525 452 T N 3.383 117.978 114.554 0.068 0.000 2.770 452 T HA 0.376 4.726 4.350 -0.000 0.000 0.283 452 T C -0.860 173.933 174.700 0.155 0.000 0.988 452 T CA -0.305 61.874 62.100 0.131 0.000 0.957 452 T CB 0.183 69.119 68.868 0.112 0.000 0.930 452 T HN 0.565 nan 8.240 nan 0.000 0.443 453 F N 5.240 125.214 119.950 0.039 0.000 2.421 453 F HA 0.566 5.093 4.527 -0.000 0.000 0.358 453 F C -0.604 175.208 175.800 0.019 0.000 1.115 453 F CA -1.554 56.448 58.000 0.004 0.000 1.160 453 F CB 0.073 39.070 39.000 -0.006 0.000 1.123 453 F HN 0.427 nan 8.300 nan 0.000 0.508 454 I N 5.773 126.019 120.570 -0.540 0.000 2.378 454 I HA 0.406 4.576 4.170 -0.000 0.000 0.291 454 I C -0.041 175.696 176.117 -0.634 0.000 0.992 454 I CA -0.441 60.609 61.300 -0.416 0.000 1.154 454 I CB 1.889 39.708 38.000 -0.302 0.000 1.315 454 I HN 0.549 nan 8.210 nan 0.000 0.448 455 T N 3.555 117.849 114.554 -0.433 0.000 2.894 455 T HA 0.729 5.079 4.350 -0.000 0.000 0.309 455 T C -0.147 174.498 174.700 -0.091 0.000 1.208 455 T CA 0.524 62.438 62.100 -0.312 0.000 1.016 455 T CB 1.546 70.210 68.868 -0.339 0.000 1.192 455 T HN 1.166 nan 8.240 nan 0.000 0.491 456 G N 1.148 109.889 108.800 -0.099 0.000 2.642 456 G HA2 0.400 4.360 3.960 -0.000 0.000 0.231 456 G HA3 0.400 4.360 3.960 -0.000 0.000 0.231 456 G C 0.587 175.443 174.900 -0.072 0.000 1.338 456 G CA 0.277 45.316 45.100 -0.101 0.000 0.883 456 G HN 2.506 nan 8.290 nan 0.000 0.570 457 G N -1.895 106.876 108.800 -0.047 0.000 2.655 457 G HA2 0.557 4.517 3.960 -0.000 0.000 0.680 457 G HA3 0.557 4.517 3.960 -0.000 0.000 0.680 457 G C -0.415 174.421 174.900 -0.107 0.000 1.302 457 G CA 0.828 45.921 45.100 -0.011 0.000 0.872 457 G HN 2.469 nan 8.290 nan 0.000 0.540 458 Q N -1.256 118.492 119.800 -0.086 0.000 2.456 458 Q HA 0.717 5.057 4.340 -0.000 0.000 0.284 458 Q C 0.935 176.856 176.000 -0.131 0.000 1.061 458 Q CA -0.930 54.801 55.803 -0.119 0.000 0.799 458 Q CB 2.040 30.741 28.738 -0.062 0.000 1.445 458 Q HN 0.643 nan 8.270 nan 0.000 0.411 459 R N 0.229 120.658 120.500 -0.119 0.000 2.092 459 R HA 0.020 4.360 4.340 -0.000 0.000 0.231 459 R C 0.213 176.451 176.300 -0.104 0.000 1.119 459 R CA 1.100 57.141 56.100 -0.098 0.000 0.970 459 R CB 0.413 30.673 30.300 -0.067 0.000 0.864 459 R HN 0.623 nan 8.270 nan 0.000 0.440 460 R N -0.425 120.017 120.500 -0.097 0.000 2.476 460 R HA 0.231 4.571 4.340 -0.000 0.000 0.305 460 R C -1.092 175.148 176.300 -0.101 0.000 0.965 460 R CA -0.367 55.677 56.100 -0.095 0.000 0.867 460 R CB 1.828 32.093 30.300 -0.059 0.000 1.176 460 R HN 0.191 nan 8.270 nan 0.000 0.447 461 G N 5.871 114.569 108.800 -0.170 0.000 2.588 461 G HA2 0.262 4.222 3.960 -0.000 0.000 0.297 461 G HA3 0.262 4.222 3.960 -0.000 0.000 0.297 461 G C -0.165 174.761 174.900 0.043 0.000 0.874 461 G CA -0.185 44.807 45.100 -0.180 0.000 1.607 461 G HN 0.544 nan 8.290 nan 0.000 0.486 462 I N 3.992 124.629 120.570 0.111 0.000 2.437 462 I HA 0.214 4.384 4.170 -0.000 0.000 0.279 462 I C -2.328 173.777 176.117 -0.020 0.000 1.028 462 I CA -2.155 59.172 61.300 0.045 0.000 1.142 462 I CB 2.645 40.656 38.000 0.019 0.000 1.266 462 I HN 0.208 nan 8.210 nan 0.000 0.461 463 P HA 0.116 nan 4.420 nan 0.000 0.266 463 P C -0.245 176.796 177.300 -0.431 0.000 1.195 463 P CA 0.229 62.918 63.100 -0.684 0.000 0.768 463 P CB 0.125 31.140 31.700 -1.141 0.000 0.838 464 F N -1.236 118.722 119.950 0.013 0.000 2.914 464 F HA -0.222 4.305 4.527 -0.000 0.000 0.304 464 F C 0.548 176.355 175.800 0.012 0.000 0.712 464 F CA 0.838 58.862 58.000 0.040 0.000 1.211 464 F CB -2.252 36.793 39.000 0.074 0.000 1.515 464 F HN 0.361 nan 8.300 nan 0.000 0.350 465 E N 0.329 120.594 120.200 0.108 0.000 2.248 465 E HA 0.370 4.720 4.350 -0.000 0.000 0.267 465 E C -0.321 176.303 176.600 0.039 0.000 0.877 465 E CA -0.572 55.869 56.400 0.067 0.000 0.759 465 E CB 1.078 30.808 29.700 0.049 0.000 1.182 465 E HN 0.004 nan 8.360 nan 0.000 0.418 466 D N 2.271 122.688 120.400 0.028 0.000 2.538 466 D HA 0.053 4.693 4.640 -0.000 0.000 0.234 466 D C -0.283 175.999 176.300 -0.030 0.000 1.191 466 D CA 0.150 54.154 54.000 0.006 0.000 0.828 466 D CB 0.086 40.905 40.800 0.032 0.000 0.981 466 D HN 0.290 nan 8.370 nan 0.000 0.490 467 S N -0.189 115.497 115.700 -0.024 0.000 2.580 467 S HA 0.252 4.722 4.470 -0.000 0.000 0.274 467 S C 0.768 175.326 174.600 -0.070 0.000 1.329 467 S CA -0.330 57.847 58.200 -0.037 0.000 1.036 467 S CB 0.961 64.150 63.200 -0.018 0.000 0.919 467 S HN 0.314 nan 8.310 nan 0.000 0.515 468 T N -1.154 113.351 114.554 -0.083 0.000 3.626 468 T HA -0.119 4.231 4.350 -0.000 0.000 0.393 468 T C -1.849 172.733 174.700 -0.197 0.000 0.765 468 T CA 0.239 62.271 62.100 -0.113 0.000 2.006 468 T CB -2.390 66.430 68.868 -0.080 0.000 1.739 468 T HN 0.693 nan 8.240 nan 0.000 0.720 469 P HA 0.545 nan 4.420 nan 0.000 0.276 469 P C -0.228 176.681 177.300 -0.653 0.000 1.244 469 P CA -0.598 62.188 63.100 -0.524 0.000 0.801 469 P CB 1.348 32.584 31.700 -0.774 0.000 1.006 470 V N 3.306 122.854 119.914 -0.610 0.000 2.313 470 V HA 0.155 4.275 4.120 -0.000 0.000 0.278 470 V C 0.749 176.508 176.094 -0.557 0.000 1.017 470 V CA -0.035 61.928 62.300 -0.562 0.000 0.823 470 V CB 0.163 31.759 31.823 -0.377 0.000 1.010 470 V HN 0.413 nan 8.190 nan 0.000 0.443 471 F N 1.306 121.050 119.950 -0.343 0.000 2.569 471 F HA 0.099 4.626 4.527 -0.000 0.000 0.295 471 F C 1.546 177.191 175.800 -0.258 0.000 1.115 471 F CA 0.262 58.084 58.000 -0.296 0.000 1.450 471 F CB 0.050 38.893 39.000 -0.261 0.000 1.107 471 F HN 0.354 nan 8.300 nan 0.000 0.563 472 T N 3.266 117.737 114.554 -0.140 0.000 2.728 472 T HA 0.306 4.656 4.350 -0.000 0.000 0.296 472 T C -2.384 172.309 174.700 -0.011 0.000 0.940 472 T CA -1.337 60.729 62.100 -0.058 0.000 1.013 472 T CB 1.317 70.142 68.868 -0.071 0.000 0.912 472 T HN -0.232 nan 8.240 nan 0.000 0.484 473 P HA 0.424 nan 4.420 nan 0.000 0.276 473 P C -0.404 176.900 177.300 0.007 0.000 1.252 473 P CA -0.672 62.403 63.100 -0.041 0.000 0.802 473 P CB 0.904 32.586 31.700 -0.030 0.000 1.035 474 E N 0.356 120.521 120.200 -0.058 0.000 2.293 474 E HA 0.571 4.921 4.350 -0.000 0.000 0.270 474 E C -0.835 175.835 176.600 0.117 0.000 0.879 474 E CA -0.611 55.841 56.400 0.087 0.000 0.756 474 E CB 1.895 31.674 29.700 0.131 0.000 1.208 474 E HN 0.293 nan 8.360 nan 0.000 0.428 475 I N 2.560 123.279 120.570 0.250 0.000 2.466 475 I HA 0.243 4.413 4.170 -0.000 0.000 0.289 475 I C -1.363 174.881 176.117 0.212 0.000 1.026 475 I CA -0.941 60.499 61.300 0.233 0.000 1.078 475 I CB 1.343 39.484 38.000 0.236 0.000 1.249 475 I HN 0.531 nan 8.210 nan 0.000 0.429 476 Y N 7.215 127.441 120.300 -0.125 0.000 2.342 476 Y HA 0.522 5.072 4.550 -0.000 0.000 0.338 476 Y C -0.852 174.875 175.900 -0.288 0.000 0.965 476 Y CA -0.664 57.167 58.100 -0.448 0.000 1.159 476 Y CB 1.224 39.192 38.460 -0.820 0.000 1.157 476 Y HN 0.205 nan 8.280 nan 0.000 0.486 477 V N 10.217 129.726 119.914 -0.675 0.000 2.333 477 V HA 0.226 4.346 4.120 -0.000 0.000 0.274 477 V C -1.549 174.007 176.094 -0.896 0.000 1.028 477 V CA -1.465 60.522 62.300 -0.522 0.000 0.851 477 V CB 1.312 33.054 31.823 -0.135 0.000 1.000 477 V HN 0.752 nan 8.190 nan 0.000 0.456 478 P HA -0.131 nan 4.420 nan 0.000 0.218 478 P C 1.013 178.156 177.300 -0.262 0.000 1.149 478 P CA 1.085 63.836 63.100 -0.581 0.000 0.817 478 P CB 0.675 32.182 31.700 -0.321 0.000 0.785 479 E N -0.024 120.067 120.200 -0.181 0.000 2.204 479 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 479 E C 2.159 178.708 176.600 -0.085 0.000 0.989 479 E CA 1.213 57.562 56.400 -0.087 0.000 0.824 479 E CB -0.476 29.189 29.700 -0.058 0.000 0.756 479 E HN 0.466 nan 8.360 nan 0.000 0.477 480 Q N -0.389 119.331 119.800 -0.133 0.000 2.350 480 Q HA 0.041 4.381 4.340 -0.000 0.000 0.225 480 Q C -0.284 175.634 176.000 -0.136 0.000 0.878 480 Q CA 0.284 56.030 55.803 -0.094 0.000 0.935 480 Q CB 0.694 29.412 28.738 -0.033 0.000 1.099 480 Q HN 0.069 nan 8.270 nan 0.000 0.527 481 D N 1.072 121.319 120.400 -0.255 0.000 2.746 481 D HA -0.122 4.518 4.640 -0.000 0.000 0.241 481 D C -1.361 174.838 176.300 -0.167 0.000 1.140 481 D CA 0.965 54.843 54.000 -0.203 0.000 0.707 481 D CB -0.904 39.893 40.800 -0.006 0.000 1.034 481 D HN 0.131 nan 8.370 nan 0.000 0.423 482 T N 0.879 115.209 114.554 -0.374 0.000 2.933 482 T HA 0.573 4.923 4.350 -0.000 0.000 0.305 482 T C -0.344 174.122 174.700 -0.390 0.000 1.092 482 T CA -0.599 61.314 62.100 -0.312 0.000 1.008 482 T CB 0.824 69.445 68.868 -0.412 0.000 1.102 482 T HN 0.031 nan 8.240 nan 0.000 0.469 483 F N 1.855 121.713 119.950 -0.154 0.000 2.421 483 F HA 0.616 5.143 4.527 -0.000 0.000 0.337 483 F C -0.488 175.298 175.800 -0.023 0.000 1.105 483 F CA -0.605 57.415 58.000 0.034 0.000 1.049 483 F CB 1.076 40.139 39.000 0.104 0.000 1.139 483 F HN 0.483 nan 8.300 nan 0.000 0.479 484 Y N 1.869 122.373 120.300 0.341 0.000 2.376 484 Y HA 0.377 4.927 4.550 -0.000 0.000 0.340 484 Y C -0.168 175.774 175.900 0.069 0.000 0.965 484 Y CA -1.235 56.973 58.100 0.181 0.000 1.078 484 Y CB 1.649 40.163 38.460 0.090 0.000 1.193 484 Y HN 0.368 nan 8.280 nan 0.000 0.452 485 K N 3.578 123.992 120.400 0.022 0.000 2.276 485 K HA 0.246 4.566 4.320 -0.000 0.000 0.283 485 K C -0.278 176.368 176.600 0.077 0.000 1.044 485 K CA -0.613 55.631 56.287 -0.071 0.000 0.944 485 K CB 0.729 33.057 32.500 -0.288 0.000 1.012 485 K HN 0.579 nan 8.250 nan 0.000 0.472 486 Q N 1.174 121.050 119.800 0.127 0.000 2.207 486 Q HA 0.243 4.583 4.340 -0.000 0.000 0.237 486 Q C -0.152 175.971 176.000 0.205 0.000 0.998 486 Q CA -0.814 55.103 55.803 0.191 0.000 0.951 486 Q CB 0.543 29.439 28.738 0.263 0.000 1.213 486 Q HN 0.459 nan 8.270 nan 0.000 0.499 487 N N 2.750 121.616 118.700 0.277 0.000 2.483 487 N HA 0.153 4.893 4.740 -0.000 0.000 0.264 487 N C -2.181 173.573 175.510 0.408 0.000 1.197 487 N CA -0.700 52.519 53.050 0.283 0.000 0.927 487 N CB 0.247 38.896 38.487 0.270 0.000 1.065 487 N HN 0.251 nan 8.380 nan 0.000 0.461 488 P HA 0.039 nan 4.420 nan 0.000 0.272 488 P C -0.413 176.844 177.300 -0.071 0.000 1.230 488 P CA -0.324 62.838 63.100 0.103 0.000 0.788 488 P CB 0.887 32.591 31.700 0.006 0.000 0.949 489 N N -0.237 118.243 118.700 -0.366 0.000 2.671 489 N HA 0.215 4.955 4.740 -0.000 0.000 0.303 489 N C 0.055 175.300 175.510 -0.441 0.000 1.277 489 N CA -0.733 51.919 53.050 -0.664 0.000 0.933 489 N CB 0.694 38.341 38.487 -1.400 0.000 1.190 489 N HN 0.229 nan 8.380 nan 0.000 0.600 490 S N -1.100 114.360 115.700 -0.400 0.000 2.578 490 S HA 0.386 4.856 4.470 -0.000 0.000 0.228 490 S C 0.438 174.922 174.600 -0.194 0.000 1.022 490 S CA -0.398 57.544 58.200 -0.431 0.000 0.967 490 S CB 0.092 63.106 63.200 -0.309 0.000 0.914 490 S HN 0.479 nan 8.310 nan 0.000 0.515 491 I N 2.141 122.632 120.570 -0.132 0.000 2.377 491 I HA 0.326 4.496 4.170 -0.000 0.000 0.293 491 I C -0.448 175.601 176.117 -0.113 0.000 0.987 491 I CA -0.867 60.363 61.300 -0.116 0.000 1.185 491 I CB 1.718 39.589 38.000 -0.214 0.000 1.341 491 I HN -0.170 nan 8.210 nan 0.000 0.455 492 V N 6.979 126.803 119.914 -0.150 0.000 2.470 492 V HA 0.211 4.331 4.120 -0.000 0.000 0.276 492 V C 0.350 176.212 176.094 -0.388 0.000 1.040 492 V CA -0.372 61.783 62.300 -0.242 0.000 1.008 492 V CB 0.239 31.986 31.823 -0.127 0.000 0.990 492 V HN 0.588 nan 8.190 nan 0.000 0.477 493 R N 4.703 125.035 120.500 -0.280 0.000 2.396 493 R HA 0.401 4.741 4.340 -0.000 0.000 0.292 493 R C -0.069 176.163 176.300 -0.114 0.000 1.240 493 R CA -0.163 55.809 56.100 -0.215 0.000 1.270 493 R CB 1.064 31.257 30.300 -0.178 0.000 1.108 493 R HN 0.671 nan 8.270 nan 0.000 0.573 494 V N -0.777 119.095 119.914 -0.069 0.000 6.942 494 V HA 0.419 4.539 4.120 -0.000 0.000 0.217 494 V C 0.364 176.446 176.094 -0.019 0.000 1.638 494 V CA -0.642 61.668 62.300 0.016 0.000 0.756 494 V CB -0.454 31.394 31.823 0.042 0.000 1.773 494 V HN 0.349 nan 8.190 nan 0.000 0.336 495 Y N 1.882 121.966 120.300 -0.360 0.000 2.620 495 Y HA 0.248 4.798 4.550 -0.000 0.000 0.330 495 Y C 0.882 176.513 175.900 -0.448 0.000 1.186 495 Y CA 0.790 58.436 58.100 -0.756 0.000 1.467 495 Y CB -1.220 36.523 38.460 -1.195 0.000 1.262 495 Y HN 0.774 nan 8.280 nan 0.000 0.550 496 H N 1.307 119.882 119.070 -0.826 0.000 2.976 496 H HA -0.143 4.412 4.556 -0.000 0.000 0.273 496 H C -0.202 174.898 175.328 -0.381 0.000 1.259 496 H CA 0.241 55.858 56.048 -0.718 0.000 1.122 496 H CB -1.394 28.032 29.762 -0.560 0.000 1.298 496 H HN 0.538 nan 8.280 nan 0.000 0.379 497 S N 0.752 116.335 115.700 -0.196 0.000 2.593 497 S HA 0.796 5.266 4.470 -0.000 0.000 0.297 497 S C 0.247 174.776 174.600 -0.119 0.000 1.112 497 S CA -0.581 57.542 58.200 -0.129 0.000 1.043 497 S CB 2.833 65.973 63.200 -0.101 0.000 1.054 497 S HN 0.431 nan 8.310 nan 0.000 0.516 498 I N -1.533 118.992 120.570 -0.074 0.000 3.145 498 I HA 0.838 5.008 4.170 -0.000 0.000 0.313 498 I C -1.123 175.019 176.117 0.042 0.000 1.122 498 I CA -0.927 60.355 61.300 -0.030 0.000 0.987 498 I CB 1.391 39.376 38.000 -0.025 0.000 1.236 498 I HN 0.679 nan 8.210 nan 0.000 0.453 499 S N 3.398 119.153 115.700 0.093 0.000 2.603 499 S HA 0.759 5.229 4.470 -0.000 0.000 0.274 499 S C -0.833 173.890 174.600 0.205 0.000 1.168 499 S CA -0.520 57.786 58.200 0.177 0.000 0.963 499 S CB 1.713 65.019 63.200 0.177 0.000 1.078 499 S HN 0.562 nan 8.310 nan 0.000 0.477 500 L N 2.545 123.940 121.223 0.287 0.000 2.388 500 L HA 0.627 4.967 4.340 -0.000 0.000 0.264 500 L C -1.115 175.911 176.870 0.259 0.000 0.998 500 L CA -1.045 53.943 54.840 0.248 0.000 0.817 500 L CB 1.731 43.928 42.059 0.230 0.000 1.338 500 L HN 0.472 nan 8.230 nan 0.000 0.414 501 L N 2.835 124.179 121.223 0.201 0.000 2.276 501 L HA 0.444 4.784 4.340 -0.000 0.000 0.286 501 L C -0.532 176.451 176.870 0.190 0.000 1.061 501 L CA 0.218 55.166 54.840 0.181 0.000 0.807 501 L CB 0.755 42.895 42.059 0.134 0.000 1.177 501 L HN 0.382 nan 8.230 nan 0.000 0.429 502 L N 7.087 128.437 121.223 0.210 0.000 2.418 502 L HA 0.319 4.659 4.340 -0.000 0.000 0.265 502 L C -1.303 175.701 176.870 0.224 0.000 1.143 502 L CA -1.556 53.411 54.840 0.211 0.000 0.809 502 L CB 0.548 42.748 42.059 0.236 0.000 1.124 502 L HN 0.518 nan 8.230 nan 0.000 0.456 503 P HA -0.148 nan 4.420 nan 0.000 0.222 503 P C 0.339 177.752 177.300 0.188 0.000 1.147 503 P CA 0.955 64.142 63.100 0.145 0.000 0.790 503 P CB 0.027 31.785 31.700 0.097 0.000 0.780 504 D N -2.790 117.724 120.400 0.189 0.000 2.340 504 D HA 0.158 4.798 4.640 -0.000 0.000 0.220 504 D C 1.397 177.833 176.300 0.227 0.000 1.039 504 D CA 0.495 54.601 54.000 0.176 0.000 0.866 504 D CB -0.758 40.102 40.800 0.101 0.000 0.913 504 D HN 0.130 nan 8.370 nan 0.000 0.523 505 G N -0.137 108.834 108.800 0.285 0.000 2.195 505 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.246 505 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.246 505 G C 0.442 175.405 174.900 0.104 0.000 0.984 505 G CA -0.063 45.104 45.100 0.111 0.000 0.633 505 G HN 0.423 nan 8.290 nan 0.000 0.525 506 R N -0.657 119.903 120.500 0.100 0.000 2.549 506 R HA 0.665 5.005 4.340 -0.000 0.000 0.259 506 R C -0.122 176.231 176.300 0.088 0.000 1.095 506 R CA -0.449 55.673 56.100 0.036 0.000 1.148 506 R CB 1.259 31.584 30.300 0.043 0.000 1.181 506 R HN 0.098 nan 8.270 nan 0.000 0.571 507 V N 1.540 121.485 119.914 0.053 0.000 2.459 507 V HA 0.287 4.407 4.120 -0.000 0.000 0.295 507 V C -0.899 175.348 176.094 0.255 0.000 1.029 507 V CA -0.641 61.744 62.300 0.142 0.000 0.874 507 V CB 1.414 33.253 31.823 0.027 0.000 0.985 507 V HN 0.493 nan 8.190 nan 0.000 0.438 508 F N 5.175 125.220 119.950 0.158 0.000 2.361 508 F HA 0.468 4.995 4.527 -0.000 0.000 0.364 508 F C 0.190 176.091 175.800 0.168 0.000 1.120 508 F CA -0.142 57.947 58.000 0.148 0.000 1.102 508 F CB 0.592 39.688 39.000 0.160 0.000 1.183 508 F HN 0.581 nan 8.300 nan 0.000 0.476 509 N N 4.588 123.224 118.700 -0.107 0.000 2.399 509 N HA 0.656 5.396 4.740 -0.000 0.000 0.280 509 N C -0.739 174.622 175.510 -0.250 0.000 1.008 509 N CA -0.257 52.784 53.050 -0.014 0.000 0.894 509 N CB 1.553 40.224 38.487 0.307 0.000 1.273 509 N HN 0.859 nan 8.380 nan 0.000 0.486 510 G N 0.988 109.647 108.800 -0.235 0.000 2.782 510 G HA2 0.721 4.681 3.960 -0.000 0.000 0.304 510 G HA3 0.721 4.681 3.960 -0.000 0.000 0.304 510 G C -0.226 174.596 174.900 -0.130 0.000 1.315 510 G CA -0.070 44.888 45.100 -0.236 0.000 0.791 510 G HN 0.861 nan 8.290 nan 0.000 0.519 511 G N -1.806 106.935 108.800 -0.098 0.000 2.681 511 G HA2 0.544 4.504 3.960 -0.000 0.000 0.220 511 G HA3 0.544 4.504 3.960 -0.000 0.000 0.220 511 G C 0.687 175.558 174.900 -0.047 0.000 1.353 511 G CA 0.984 46.042 45.100 -0.070 0.000 0.872 511 G HN 2.969 nan 8.290 nan 0.000 0.557 512 G N -2.028 106.758 108.800 -0.023 0.000 3.438 512 G HA2 0.589 4.549 3.960 -0.000 0.000 0.684 512 G HA3 0.589 4.549 3.960 -0.000 0.000 0.684 512 G C 0.928 175.892 174.900 0.107 0.000 1.192 512 G CA 0.631 45.763 45.100 0.052 0.000 1.013 512 G HN 3.166 nan 8.290 nan 0.000 0.530 513 G N 0.906 109.776 108.800 0.116 0.000 2.433 513 G HA2 0.396 4.356 3.960 -0.000 0.000 0.211 513 G HA3 0.396 4.356 3.960 -0.000 0.000 0.211 513 G C 0.388 175.457 174.900 0.283 0.000 1.214 513 G CA 0.637 45.825 45.100 0.146 0.000 1.271 513 G HN 2.558 nan 8.290 nan 0.000 0.503 514 L N -0.390 120.854 121.223 0.035 0.000 3.573 514 L HA -0.166 4.174 4.340 -0.000 0.000 0.578 514 L C 1.071 177.968 176.870 0.045 0.000 1.299 514 L CA 1.557 56.402 54.840 0.009 0.000 0.914 514 L CB -1.288 40.762 42.059 -0.014 0.000 1.563 514 L HN 1.870 nan 8.230 nan 0.000 0.860 515 C N -1.037 118.157 119.300 -0.177 0.000 3.626 515 C HA 0.804 5.264 4.460 -0.000 0.000 0.276 515 C C 1.962 176.752 174.990 -0.333 0.000 1.694 515 C CA -0.199 58.570 59.018 -0.415 0.000 1.785 515 C CB -0.368 26.965 27.740 -0.680 0.000 3.152 515 C HN 1.818 nan 8.230 nan 0.000 0.571 516 G N 2.445 111.099 108.800 -0.244 0.000 2.889 516 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.308 516 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.308 516 G C 0.489 175.305 174.900 -0.139 0.000 1.248 516 G CA 1.076 46.060 45.100 -0.194 0.000 0.982 516 G HN 0.356 nan 8.290 nan 0.000 0.571 517 D N 1.810 122.128 120.400 -0.136 0.000 2.378 517 D HA 0.065 4.705 4.640 -0.000 0.000 0.222 517 D C 1.854 178.102 176.300 -0.087 0.000 0.980 517 D CA 1.139 55.081 54.000 -0.096 0.000 0.907 517 D CB -0.935 39.812 40.800 -0.088 0.000 0.899 517 D HN 0.888 nan 8.370 nan 0.000 0.527 518 C N 0.220 119.453 119.300 -0.111 0.000 2.656 518 C HA 0.380 4.840 4.460 -0.000 0.000 0.391 518 C C 2.021 176.956 174.990 -0.091 0.000 1.300 518 C CA -0.320 58.643 59.018 -0.093 0.000 2.302 518 C CB 0.435 28.113 27.740 -0.103 0.000 2.655 518 C HN 0.307 nan 8.230 nan 0.000 0.656 519 T N -2.625 111.875 114.554 -0.089 0.000 3.086 519 T HA 0.056 4.406 4.350 -0.000 0.000 0.250 519 T C 0.951 175.536 174.700 -0.191 0.000 1.074 519 T CA 0.695 62.721 62.100 -0.123 0.000 0.988 519 T CB -0.813 67.991 68.868 -0.107 0.000 0.988 519 T HN 1.000 nan 8.240 nan 0.000 0.530 520 T N -0.328 114.124 114.554 -0.171 0.000 3.206 520 T HA 0.220 4.570 4.350 -0.000 0.000 0.253 520 T C 0.316 174.789 174.700 -0.378 0.000 1.042 520 T CA -0.711 61.256 62.100 -0.222 0.000 0.931 520 T CB -0.413 68.431 68.868 -0.039 0.000 1.029 520 T HN 0.137 nan 8.240 nan 0.000 0.564 521 N N 2.912 121.367 118.700 -0.407 0.000 2.458 521 N HA 0.133 4.873 4.740 -0.000 0.000 0.270 521 N C -0.735 174.370 175.510 -0.675 0.000 1.102 521 N CA -0.085 52.655 53.050 -0.517 0.000 0.967 521 N CB 0.437 38.580 38.487 -0.572 0.000 1.078 521 N HN 0.431 nan 8.380 nan 0.000 0.471 522 H N 2.708 121.571 119.070 -0.345 0.000 2.691 522 H HA 0.183 4.739 4.556 -0.000 0.000 0.281 522 H C -0.004 175.199 175.328 -0.207 0.000 1.121 522 H CA -0.364 55.566 56.048 -0.195 0.000 1.254 522 H CB 0.148 29.835 29.762 -0.124 0.000 1.390 522 H HN 0.441 nan 8.280 nan 0.000 0.491 523 F N 2.483 122.493 119.950 0.100 0.000 2.869 523 F HA 0.059 4.586 4.527 -0.000 0.000 0.298 523 F C 0.311 176.199 175.800 0.146 0.000 1.235 523 F CA -0.364 57.706 58.000 0.117 0.000 1.402 523 F CB -0.234 38.852 39.000 0.143 0.000 1.142 523 F HN 0.504 nan 8.300 nan 0.000 0.529 524 D N -0.712 119.817 120.400 0.215 0.000 2.664 524 D HA 0.782 5.422 4.640 -0.000 0.000 0.292 524 D C -1.154 175.124 176.300 -0.037 0.000 1.214 524 D CA -1.091 52.982 54.000 0.121 0.000 0.932 524 D CB 1.395 42.287 40.800 0.153 0.000 1.420 524 D HN -0.026 nan 8.370 nan 0.000 0.471 525 A N -0.521 122.212 122.820 -0.145 0.000 2.594 525 A HA 0.668 4.988 4.320 -0.000 0.000 0.295 525 A C -1.505 175.899 177.584 -0.300 0.000 1.071 525 A CA -0.787 51.024 52.037 -0.376 0.000 0.685 525 A CB 1.811 20.326 19.000 -0.809 0.000 1.285 525 A HN 0.457 nan 8.150 nan 0.000 0.405 526 Q N 0.319 119.977 119.800 -0.236 0.000 2.387 526 Q HA 0.661 5.001 4.340 -0.000 0.000 0.273 526 Q C -1.315 174.744 176.000 0.098 0.000 1.089 526 Q CA -0.664 55.155 55.803 0.026 0.000 0.824 526 Q CB 2.626 31.501 28.738 0.227 0.000 1.367 526 Q HN 0.692 nan 8.270 nan 0.000 0.443 527 I N 1.572 122.246 120.570 0.174 0.000 2.377 527 I HA 0.347 4.517 4.170 -0.000 0.000 0.293 527 I C -0.897 175.279 176.117 0.098 0.000 0.987 527 I CA -0.640 60.747 61.300 0.145 0.000 1.185 527 I CB 0.909 38.989 38.000 0.133 0.000 1.341 527 I HN 0.445 nan 8.210 nan 0.000 0.455 528 F N 5.010 124.769 119.950 -0.318 0.000 2.444 528 F HA 0.475 5.002 4.527 -0.000 0.000 0.342 528 F C -0.203 175.315 175.800 -0.470 0.000 1.121 528 F CA -0.295 57.266 58.000 -0.732 0.000 0.997 528 F CB 1.462 39.645 39.000 -1.361 0.000 1.130 528 F HN 0.295 nan 8.300 nan 0.000 0.454 529 T N 8.072 122.035 114.554 -0.985 0.000 2.801 529 T HA 0.366 4.716 4.350 -0.000 0.000 0.306 529 T C -2.565 171.490 174.700 -1.075 0.000 1.020 529 T CA -1.289 60.386 62.100 -0.708 0.000 0.948 529 T CB 1.124 69.814 68.868 -0.296 0.000 0.962 529 T HN 0.318 nan 8.240 nan 0.000 0.465 530 P HA 0.184 nan 4.420 nan 0.000 0.273 530 P C 0.938 177.900 177.300 -0.564 0.000 1.250 530 P CA -0.450 62.075 63.100 -0.959 0.000 0.793 530 P CB 0.640 31.594 31.700 -1.244 0.000 1.011 531 N N 0.538 118.999 118.700 -0.398 0.000 2.205 531 N HA -0.220 4.520 4.740 -0.000 0.000 0.186 531 N C 1.442 176.930 175.510 -0.037 0.000 1.015 531 N CA 1.428 54.407 53.050 -0.118 0.000 0.862 531 N CB -0.763 37.651 38.487 -0.122 0.000 0.986 531 N HN 0.463 nan 8.380 nan 0.000 0.429 532 Y N -0.963 119.293 120.300 -0.072 0.000 2.569 532 Y HA 0.112 4.662 4.550 -0.000 0.000 0.293 532 Y C 1.410 177.232 175.900 -0.130 0.000 1.144 532 Y CA 0.383 58.425 58.100 -0.097 0.000 1.321 532 Y CB -0.877 37.511 38.460 -0.119 0.000 0.982 532 Y HN 0.063 nan 8.280 nan 0.000 0.558 533 L N -1.001 120.247 121.223 0.042 0.000 2.607 533 L HA 0.170 4.510 4.340 -0.000 0.000 0.228 533 L C -0.525 176.094 176.870 -0.418 0.000 1.123 533 L CA -0.119 54.608 54.840 -0.188 0.000 0.890 533 L CB -0.110 41.760 42.059 -0.315 0.000 1.103 533 L HN 0.100 nan 8.230 nan 0.000 0.468 534 Y N -0.097 120.173 120.300 -0.052 0.000 2.487 534 Y HA 0.272 4.822 4.550 -0.000 0.000 0.337 534 Y C 0.552 176.430 175.900 -0.037 0.000 1.076 534 Y CA -1.396 56.670 58.100 -0.056 0.000 1.115 534 Y CB 0.992 39.399 38.460 -0.088 0.000 1.235 534 Y HN 0.030 nan 8.280 nan 0.000 0.468 535 N N -1.309 117.477 118.700 0.142 0.000 2.645 535 N HA 0.242 4.982 4.740 -0.000 0.000 0.308 535 N C 0.469 176.014 175.510 0.058 0.000 1.335 535 N CA -0.320 52.773 53.050 0.071 0.000 0.909 535 N CB -0.175 38.339 38.487 0.044 0.000 1.109 535 N HN 0.379 nan 8.380 nan 0.000 0.555 536 S N -1.192 114.528 115.700 0.033 0.000 2.436 536 S HA 0.001 4.471 4.470 -0.000 0.000 0.228 536 S C 1.023 175.631 174.600 0.014 0.000 1.014 536 S CA 0.610 58.821 58.200 0.017 0.000 0.950 536 S CB -0.703 62.504 63.200 0.011 0.000 0.784 536 S HN 0.552 nan 8.310 nan 0.000 0.504 537 N N 0.456 119.171 118.700 0.024 0.000 2.422 537 N HA 0.221 4.961 4.740 -0.000 0.000 0.181 537 N C 1.129 176.650 175.510 0.019 0.000 1.080 537 N CA 0.507 53.569 53.050 0.019 0.000 0.893 537 N CB 0.275 38.776 38.487 0.023 0.000 0.973 537 N HN 0.446 nan 8.380 nan 0.000 0.456 538 G N -0.127 108.694 108.800 0.034 0.000 2.157 538 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.239 538 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.239 538 G C -0.299 174.671 174.900 0.118 0.000 0.982 538 G CA -0.427 44.677 45.100 0.007 0.000 0.650 538 G HN 0.241 nan 8.290 nan 0.000 0.527 539 N N -0.287 118.515 118.700 0.170 0.000 2.485 539 N HA 0.531 5.271 4.740 -0.000 0.000 0.280 539 N C 0.416 176.048 175.510 0.203 0.000 1.205 539 N CA -0.622 52.543 53.050 0.192 0.000 0.959 539 N CB 0.912 39.453 38.487 0.089 0.000 1.206 539 N HN 0.145 nan 8.380 nan 0.000 0.545 540 L N 1.603 122.866 121.223 0.066 0.000 2.500 540 L HA 0.134 4.474 4.340 -0.000 0.000 0.272 540 L C 0.989 177.815 176.870 -0.074 0.000 1.149 540 L CA -0.302 54.462 54.840 -0.128 0.000 0.897 540 L CB 0.105 42.079 42.059 -0.143 0.000 1.178 540 L HN 0.516 nan 8.230 nan 0.000 0.473 541 A N 3.289 126.053 122.820 -0.093 0.000 2.346 541 A HA 0.356 4.676 4.320 -0.000 0.000 0.252 541 A C 0.395 177.950 177.584 -0.047 0.000 1.089 541 A CA -0.369 51.641 52.037 -0.046 0.000 0.797 541 A CB 0.171 19.151 19.000 -0.033 0.000 1.047 541 A HN 0.656 nan 8.150 nan 0.000 0.494 542 T N 2.429 116.968 114.554 -0.026 0.000 2.799 542 T HA 0.303 4.653 4.350 -0.000 0.000 0.296 542 T C 0.260 174.945 174.700 -0.024 0.000 0.947 542 T CA 0.252 62.339 62.100 -0.021 0.000 1.141 542 T CB -0.081 68.780 68.868 -0.011 0.000 0.891 542 T HN 0.559 nan 8.240 nan 0.000 0.533 543 R N 4.165 124.650 120.500 -0.024 0.000 2.368 543 R HA 0.379 4.719 4.340 -0.000 0.000 0.302 543 R C -2.207 174.085 176.300 -0.012 0.000 1.002 543 R CA -1.872 54.215 56.100 -0.022 0.000 0.929 543 R CB 0.523 30.812 30.300 -0.019 0.000 1.073 543 R HN 0.453 nan 8.270 nan 0.000 0.464 544 P HA 0.099 nan 4.420 nan 0.000 0.272 544 P C -1.077 176.223 177.300 -0.000 0.000 1.223 544 P CA -0.196 62.901 63.100 -0.006 0.000 0.784 544 P CB 0.927 32.618 31.700 -0.015 0.000 0.923 545 K N 1.731 122.135 120.400 0.007 0.000 2.345 545 K HA 0.495 4.815 4.320 -0.000 0.000 0.255 545 K C -0.222 176.389 176.600 0.018 0.000 0.934 545 K CA -0.814 55.478 56.287 0.008 0.000 0.801 545 K CB 1.727 34.231 32.500 0.007 0.000 1.137 545 K HN 0.404 nan 8.250 nan 0.000 0.424 546 I N 3.378 123.956 120.570 0.014 0.000 2.308 546 I HA -0.029 4.141 4.170 -0.000 0.000 0.293 546 I C 1.641 177.774 176.117 0.026 0.000 1.078 546 I CA -0.051 61.266 61.300 0.029 0.000 1.292 546 I CB 0.856 38.870 38.000 0.023 0.000 1.423 546 I HN 0.818 nan 8.210 nan 0.000 0.493 547 T N 3.150 117.724 114.554 0.034 0.000 2.942 547 T HA 0.034 4.384 4.350 -0.000 0.000 0.265 547 T C 0.955 175.669 174.700 0.023 0.000 1.062 547 T CA 0.481 62.596 62.100 0.025 0.000 1.139 547 T CB 0.270 69.154 68.868 0.026 0.000 0.883 547 T HN 0.537 nan 8.240 nan 0.000 0.468 548 R N 0.717 121.236 120.500 0.031 0.000 2.707 548 R HA 0.501 4.841 4.340 -0.000 0.000 0.272 548 R C -1.628 174.692 176.300 0.033 0.000 1.011 548 R CA -0.461 55.654 56.100 0.025 0.000 0.893 548 R CB 2.099 32.409 30.300 0.018 0.000 1.233 548 R HN 0.370 nan 8.270 nan 0.000 0.464 549 T N -0.857 113.711 114.554 0.023 0.000 2.893 549 T HA 0.207 4.557 4.350 -0.000 0.000 0.293 549 T C 0.919 175.617 174.700 -0.003 0.000 1.027 549 T CA -0.454 61.658 62.100 0.021 0.000 0.988 549 T CB 1.770 70.658 68.868 0.033 0.000 1.043 549 T HN 0.590 nan 8.240 nan 0.000 0.461 550 S N 1.285 116.970 115.700 -0.026 0.000 2.387 550 S HA 0.150 4.620 4.470 -0.000 0.000 0.226 550 S C 0.920 175.499 174.600 -0.035 0.000 1.026 550 S CA 0.833 59.009 58.200 -0.040 0.000 0.972 550 S CB -0.301 62.858 63.200 -0.069 0.000 0.814 550 S HN 1.105 nan 8.310 nan 0.000 0.477 551 T N -0.551 113.983 114.554 -0.034 0.000 2.942 551 T HA 0.352 4.702 4.350 -0.000 0.000 0.327 551 T C -0.813 173.888 174.700 0.000 0.000 1.360 551 T CA -0.654 61.433 62.100 -0.022 0.000 1.055 551 T CB 1.763 70.609 68.868 -0.037 0.000 1.261 551 T HN 0.013 nan 8.240 nan 0.000 0.485 552 Q N 1.110 120.920 119.800 0.017 0.000 2.384 552 Q HA 0.269 4.609 4.340 -0.000 0.000 0.207 552 Q C 0.259 176.290 176.000 0.053 0.000 0.904 552 Q CA 0.155 55.987 55.803 0.047 0.000 0.933 552 Q CB 1.021 29.792 28.738 0.055 0.000 1.077 552 Q HN 0.474 nan 8.270 nan 0.000 0.522 553 S N 0.253 115.966 115.700 0.021 0.000 2.605 553 S HA 0.575 5.045 4.470 -0.000 0.000 0.308 553 S C -1.275 173.315 174.600 -0.017 0.000 1.113 553 S CA -0.499 57.705 58.200 0.006 0.000 1.049 553 S CB 1.451 64.650 63.200 -0.002 0.000 1.001 553 S HN 0.022 nan 8.310 nan 0.000 0.480 554 V N 4.850 124.749 119.914 -0.026 0.000 3.078 554 V HA 0.656 4.776 4.120 -0.000 0.000 0.311 554 V C -0.870 175.192 176.094 -0.053 0.000 1.138 554 V CA -0.765 61.506 62.300 -0.048 0.000 1.007 554 V CB 2.296 34.081 31.823 -0.063 0.000 1.045 554 V HN 0.915 nan 8.190 nan 0.000 0.432 555 K N 1.389 121.755 120.400 -0.057 0.000 2.139 555 K HA 0.627 4.947 4.320 -0.000 0.000 0.243 555 K C -0.810 175.751 176.600 -0.065 0.000 0.983 555 K CA -0.641 55.613 56.287 -0.054 0.000 0.890 555 K CB 1.886 34.358 32.500 -0.046 0.000 1.090 555 K HN 0.692 nan 8.250 nan 0.000 0.445 556 V N -0.129 119.749 119.914 -0.060 0.000 2.450 556 V HA 0.351 4.471 4.120 -0.000 0.000 0.281 556 V C 0.839 176.896 176.094 -0.061 0.000 1.019 556 V CA 0.590 62.849 62.300 -0.068 0.000 1.062 556 V CB -0.140 31.647 31.823 -0.059 0.000 0.979 556 V HN 1.079 nan 8.190 nan 0.000 0.477 557 G N 2.757 111.519 108.800 -0.064 0.000 2.195 557 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.224 557 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.224 557 G C 0.569 175.435 174.900 -0.057 0.000 0.990 557 G CA -0.100 44.968 45.100 -0.054 0.000 0.639 557 G HN 1.647 nan 8.290 nan 0.000 0.514 558 G N -0.266 108.493 108.800 -0.068 0.000 2.537 558 G HA2 0.599 4.559 3.960 -0.000 0.000 0.273 558 G HA3 0.599 4.559 3.960 -0.000 0.000 0.273 558 G C -0.031 174.803 174.900 -0.110 0.000 1.189 558 G CA -0.528 44.524 45.100 -0.080 0.000 0.881 558 G HN 0.438 nan 8.290 nan 0.000 0.535 559 R N -0.440 119.979 120.500 -0.135 0.000 2.604 559 R HA 0.561 4.900 4.340 -0.000 0.000 0.287 559 R C -0.638 175.488 176.300 -0.291 0.000 0.970 559 R CA -0.586 55.386 56.100 -0.213 0.000 0.946 559 R CB 1.894 32.097 30.300 -0.162 0.000 1.127 559 R HN 0.381 nan 8.270 nan 0.000 0.473 560 I N 0.802 121.053 120.570 -0.532 0.000 2.545 560 I HA 0.305 4.475 4.170 -0.000 0.000 0.292 560 I C -0.415 175.380 176.117 -0.536 0.000 1.040 560 I CA -0.657 60.319 61.300 -0.539 0.000 1.068 560 I CB 2.575 40.177 38.000 -0.664 0.000 1.251 560 I HN 0.447 nan 8.210 nan 0.000 0.424 561 T N 6.508 120.907 114.554 -0.259 0.000 2.786 561 T HA 0.649 4.999 4.350 -0.000 0.000 0.283 561 T C -0.238 174.440 174.700 -0.036 0.000 0.992 561 T CA -0.414 61.608 62.100 -0.129 0.000 0.954 561 T CB 1.054 69.871 68.868 -0.085 0.000 0.934 561 T HN 0.462 nan 8.240 nan 0.000 0.440 562 I N -0.501 120.107 120.570 0.064 0.000 2.910 562 I HA 0.899 5.069 4.170 -0.000 0.000 0.310 562 I C -0.409 175.787 176.117 0.132 0.000 1.043 562 I CA -0.863 60.509 61.300 0.121 0.000 1.053 562 I CB 2.233 40.360 38.000 0.211 0.000 1.242 562 I HN 0.359 nan 8.210 nan 0.000 0.452 563 S N 1.143 116.910 115.700 0.112 0.000 2.557 563 S HA 0.657 5.127 4.470 -0.000 0.000 0.291 563 S C -0.298 174.369 174.600 0.112 0.000 1.116 563 S CA -0.654 57.606 58.200 0.101 0.000 0.992 563 S CB 1.892 65.122 63.200 0.049 0.000 1.028 563 S HN 0.910 nan 8.310 nan 0.000 0.484 564 T N -1.312 113.327 114.554 0.142 0.000 2.927 564 T HA 0.520 4.870 4.350 -0.000 0.000 0.286 564 T C 0.172 174.922 174.700 0.084 0.000 1.040 564 T CA -0.738 61.431 62.100 0.115 0.000 1.010 564 T CB 1.204 70.159 68.868 0.144 0.000 1.177 564 T HN 0.506 nan 8.240 nan 0.000 0.546 565 D N -0.670 119.766 120.400 0.060 0.000 2.360 565 D HA 0.140 4.780 4.640 -0.000 0.000 0.210 565 D C 0.652 176.979 176.300 0.046 0.000 1.047 565 D CA -0.083 53.943 54.000 0.043 0.000 0.854 565 D CB -0.043 40.773 40.800 0.027 0.000 0.936 565 D HN 0.638 nan 8.370 nan 0.000 0.514 566 S N -1.540 114.196 115.700 0.060 0.000 2.671 566 S HA 0.460 4.930 4.470 -0.000 0.000 0.277 566 S C -0.709 173.947 174.600 0.093 0.000 1.165 566 S CA -0.912 57.323 58.200 0.058 0.000 0.822 566 S CB 1.608 64.826 63.200 0.031 0.000 1.150 566 S HN -0.017 nan 8.310 nan 0.000 0.479 567 S N 0.629 116.380 115.700 0.085 0.000 2.528 567 S HA 0.513 4.983 4.470 -0.000 0.000 0.277 567 S C 0.033 174.649 174.600 0.027 0.000 1.297 567 S CA -0.833 57.438 58.200 0.117 0.000 1.052 567 S CB -1.102 62.156 63.200 0.098 0.000 0.917 567 S HN 0.724 nan 8.310 nan 0.000 0.492 568 I N 2.120 122.652 120.570 -0.064 0.000 2.750 568 I HA 0.624 4.794 4.170 -0.000 0.000 0.308 568 I C 0.462 176.461 176.117 -0.197 0.000 1.016 568 I CA -0.656 60.521 61.300 -0.205 0.000 1.098 568 I CB 2.093 39.874 38.000 -0.365 0.000 1.279 568 I HN 0.485 nan 8.210 nan 0.000 0.454 569 S N 2.015 117.625 115.700 -0.150 0.000 2.620 569 S HA 0.282 4.752 4.470 -0.000 0.000 0.234 569 S C 0.414 174.944 174.600 -0.117 0.000 1.064 569 S CA 0.176 58.316 58.200 -0.100 0.000 0.920 569 S CB 0.187 63.350 63.200 -0.060 0.000 0.826 569 S HN 0.599 nan 8.310 nan 0.000 0.557 570 K N 0.388 120.711 120.400 -0.130 0.000 2.350 570 K HA 0.828 5.147 4.320 -0.000 0.000 0.241 570 K C -1.288 175.220 176.600 -0.153 0.000 0.994 570 K CA -0.675 55.539 56.287 -0.122 0.000 0.839 570 K CB 2.166 34.610 32.500 -0.093 0.000 1.244 570 K HN 0.246 nan 8.250 nan 0.000 0.443 571 A N 0.615 123.345 122.820 -0.151 0.000 2.574 571 A HA 0.688 5.008 4.320 -0.000 0.000 0.297 571 A C -1.330 176.157 177.584 -0.162 0.000 1.062 571 A CA -0.681 51.248 52.037 -0.181 0.000 0.686 571 A CB 1.573 20.404 19.000 -0.282 0.000 1.285 571 A HN 0.663 nan 8.150 nan 0.000 0.403 572 S N 0.559 116.192 115.700 -0.112 0.000 2.579 572 S HA 0.812 5.282 4.470 -0.000 0.000 0.272 572 S C -1.304 173.313 174.600 0.029 0.000 1.141 572 S CA -0.695 57.481 58.200 -0.041 0.000 0.843 572 S CB 1.293 64.505 63.200 0.020 0.000 1.122 572 S HN 0.795 nan 8.310 nan 0.000 0.468 573 L N 1.886 123.168 121.223 0.098 0.000 2.342 573 L HA 0.568 4.908 4.340 -0.000 0.000 0.276 573 L C -1.555 175.618 176.870 0.506 0.000 0.997 573 L CA -0.690 54.304 54.840 0.257 0.000 0.838 573 L CB 1.297 43.428 42.059 0.120 0.000 1.224 573 L HN 0.624 nan 8.230 nan 0.000 0.416 574 I N 3.569 124.397 120.570 0.431 0.000 2.378 574 I HA 0.368 4.538 4.170 -0.000 0.000 0.291 574 I C 0.275 176.394 176.117 0.004 0.000 0.992 574 I CA -0.252 61.196 61.300 0.247 0.000 1.154 574 I CB 1.676 39.787 38.000 0.186 0.000 1.315 574 I HN 0.450 nan 8.210 nan 0.000 0.448 575 R N 4.771 125.016 120.500 -0.425 0.000 2.438 575 R HA 0.271 4.611 4.340 -0.000 0.000 0.287 575 R C -0.987 175.152 176.300 -0.268 0.000 1.077 575 R CA -0.419 55.221 56.100 -0.766 0.000 1.034 575 R CB 0.461 30.003 30.300 -1.264 0.000 0.993 575 R HN 0.420 nan 8.270 nan 0.000 0.459 576 Y N 1.465 121.676 120.300 -0.148 0.000 2.717 576 Y HA 0.075 4.625 4.550 -0.000 0.000 0.330 576 Y C 1.270 177.162 175.900 -0.014 0.000 1.217 576 Y CA 1.082 59.170 58.100 -0.019 0.000 1.506 576 Y CB 0.749 39.223 38.460 0.022 0.000 1.268 576 Y HN 0.685 nan 8.280 nan 0.000 0.561 577 G N 1.391 110.294 108.800 0.172 0.000 2.462 577 G HA2 0.586 4.546 3.960 -0.000 0.000 0.319 577 G HA3 0.586 4.546 3.960 -0.000 0.000 0.319 577 G C -0.862 174.112 174.900 0.122 0.000 1.171 577 G CA -0.690 44.481 45.100 0.118 0.000 0.920 577 G HN 0.597 nan 8.290 nan 0.000 0.499 578 T N -2.740 111.865 114.554 0.085 0.000 2.916 578 T HA 0.746 5.096 4.350 -0.000 0.000 0.298 578 T C -0.580 174.129 174.700 0.015 0.000 1.031 578 T CA -0.467 61.673 62.100 0.067 0.000 0.993 578 T CB 1.918 70.848 68.868 0.104 0.000 1.045 578 T HN 1.468 nan 8.240 nan 0.000 0.454 579 A N 1.881 124.678 122.820 -0.038 0.000 2.422 579 A HA 0.915 5.235 4.320 -0.000 0.000 0.302 579 A C -0.297 177.199 177.584 -0.148 0.000 1.041 579 A CA -0.877 51.116 52.037 -0.073 0.000 0.708 579 A CB 2.056 21.036 19.000 -0.033 0.000 1.257 579 A HN 1.177 nan 8.150 nan 0.000 0.414 580 T N 0.669 115.142 114.554 -0.135 0.000 3.225 580 T HA 0.478 4.828 4.350 -0.000 0.000 0.356 580 T C -0.896 173.754 174.700 -0.083 0.000 1.460 580 T CA -0.236 61.797 62.100 -0.112 0.000 1.126 580 T CB 0.200 68.989 68.868 -0.132 0.000 1.321 580 T HN 1.316 nan 8.240 nan 0.000 0.478 581 H N 2.450 121.290 119.070 -0.382 0.000 2.557 581 H HA -0.218 4.338 4.556 -0.000 0.000 0.319 581 H C 1.416 176.448 175.328 -0.494 0.000 1.102 581 H CA 2.654 58.408 56.048 -0.490 0.000 1.126 581 H CB -2.090 27.215 29.762 -0.761 0.000 1.498 581 H HN 1.331 nan 8.280 nan 0.000 0.411 582 T N -6.434 107.985 114.554 -0.225 0.000 7.679 582 T HA -0.275 4.075 4.350 -0.000 0.000 0.300 582 T C 0.363 174.935 174.700 -0.213 0.000 2.098 582 T CA 0.832 62.800 62.100 -0.221 0.000 3.313 582 T CB -2.161 66.574 68.868 -0.222 0.000 1.898 582 T HN 0.499 nan 8.240 nan 0.000 1.144 583 V N 2.184 121.979 119.914 -0.197 0.000 2.498 583 V HA 0.724 4.843 4.120 -0.000 0.000 0.279 583 V C 0.429 176.455 176.094 -0.114 0.000 1.048 583 V CA -0.348 61.867 62.300 -0.142 0.000 0.967 583 V CB 1.508 33.266 31.823 -0.109 0.000 0.988 583 V HN 0.600 nan 8.190 nan 0.000 0.473 584 N N 2.363 120.996 118.700 -0.113 0.000 2.701 584 N HA 0.129 4.869 4.740 -0.000 0.000 0.258 584 N C 0.485 175.938 175.510 -0.095 0.000 1.262 584 N CA 0.250 53.260 53.050 -0.067 0.000 0.780 584 N CB 1.911 40.378 38.487 -0.032 0.000 1.380 584 N HN 0.771 nan 8.380 nan 0.000 0.548 585 T N -1.996 112.505 114.554 -0.089 0.000 3.065 585 T HA 0.128 4.478 4.350 -0.000 0.000 0.252 585 T C 0.797 175.492 174.700 -0.009 0.000 1.099 585 T CA 0.512 62.533 62.100 -0.132 0.000 1.063 585 T CB 0.392 69.196 68.868 -0.106 0.000 0.948 585 T HN 0.130 nan 8.240 nan 0.000 0.506 586 D N 2.065 122.480 120.400 0.025 0.000 2.213 586 D HA -0.001 4.639 4.640 -0.000 0.000 0.205 586 D C 1.242 177.547 176.300 0.009 0.000 0.961 586 D CA 0.495 54.519 54.000 0.040 0.000 0.853 586 D CB 0.022 40.858 40.800 0.059 0.000 0.967 586 D HN 0.745 nan 8.370 nan 0.000 0.496 587 Q N 1.410 121.231 119.800 0.034 0.000 2.327 587 Q HA 0.340 4.680 4.340 -0.000 0.000 0.254 587 Q C -0.206 175.846 176.000 0.087 0.000 0.952 587 Q CA -0.340 55.480 55.803 0.028 0.000 0.884 587 Q CB 1.056 29.835 28.738 0.069 0.000 1.224 587 Q HN 0.036 nan 8.270 nan 0.000 0.422 588 R N 0.433 120.955 120.500 0.037 0.000 2.739 588 R HA 0.461 4.801 4.340 -0.000 0.000 0.266 588 R C -1.811 174.586 176.300 0.162 0.000 1.044 588 R CA -1.048 55.132 56.100 0.134 0.000 0.885 588 R CB 1.217 31.640 30.300 0.205 0.000 1.260 588 R HN 0.777 nan 8.270 nan 0.000 0.477 589 R N 2.241 122.883 120.500 0.236 0.000 2.670 589 R HA 0.582 4.922 4.340 -0.000 0.000 0.289 589 R C -1.119 175.349 176.300 0.280 0.000 0.965 589 R CA -0.748 55.516 56.100 0.275 0.000 0.899 589 R CB 1.653 32.075 30.300 0.203 0.000 1.173 589 R HN 0.715 nan 8.270 nan 0.000 0.456 590 I N 6.148 126.890 120.570 0.286 0.000 2.411 590 I HA 0.341 4.511 4.170 -0.000 0.000 0.284 590 I C -2.130 174.028 176.117 0.069 0.000 1.012 590 I CA -2.421 58.975 61.300 0.159 0.000 1.119 590 I CB 2.327 40.377 38.000 0.084 0.000 1.261 590 I HN 0.426 nan 8.210 nan 0.000 0.448 591 P HA 0.235 nan 4.420 nan 0.000 0.282 591 P C -0.913 176.368 177.300 -0.031 0.000 1.262 591 P CA -0.186 62.918 63.100 0.007 0.000 0.773 591 P CB 0.964 32.680 31.700 0.027 0.000 0.879 592 L N 3.423 124.592 121.223 -0.090 0.000 2.312 592 L HA 0.349 4.689 4.340 -0.000 0.000 0.281 592 L C 1.095 177.934 176.870 -0.052 0.000 1.070 592 L CA -0.441 54.329 54.840 -0.117 0.000 0.805 592 L CB 0.920 42.776 42.059 -0.338 0.000 1.174 592 L HN 0.370 nan 8.230 nan 0.000 0.434 593 T N 1.563 116.123 114.554 0.010 0.000 2.811 593 T HA 0.528 4.878 4.350 -0.000 0.000 0.309 593 T C -0.116 174.637 174.700 0.087 0.000 1.005 593 T CA -0.684 61.439 62.100 0.039 0.000 0.955 593 T CB 0.030 68.924 68.868 0.043 0.000 0.970 593 T HN 0.275 nan 8.240 nan 0.000 0.496 594 L N 3.137 124.410 121.223 0.084 0.000 2.418 594 L HA 0.463 4.803 4.340 -0.000 0.000 0.265 594 L C 0.596 177.565 176.870 0.164 0.000 1.143 594 L CA -0.567 54.367 54.840 0.156 0.000 0.809 594 L CB 0.917 43.057 42.059 0.135 0.000 1.124 594 L HN 0.642 nan 8.230 nan 0.000 0.456 595 T N 1.399 116.071 114.554 0.197 0.000 2.815 595 T HA 0.194 4.544 4.350 -0.000 0.000 0.289 595 T C -0.277 174.503 174.700 0.132 0.000 1.000 595 T CA -0.573 61.605 62.100 0.130 0.000 0.958 595 T CB 0.823 69.738 68.868 0.079 0.000 0.944 595 T HN 0.364 nan 8.240 nan 0.000 0.442 596 N N 2.418 121.170 118.700 0.085 0.000 2.411 596 N HA 0.164 4.904 4.740 -0.000 0.000 0.259 596 N C 0.530 175.965 175.510 -0.124 0.000 1.103 596 N CA -0.064 52.944 53.050 -0.071 0.000 0.954 596 N CB 0.537 39.016 38.487 -0.014 0.000 1.085 596 N HN 0.556 nan 8.380 nan 0.000 0.485 597 N N 1.588 120.161 118.700 -0.212 0.000 2.392 597 N HA 0.183 4.923 4.740 -0.000 0.000 0.177 597 N C 0.302 175.720 175.510 -0.153 0.000 1.066 597 N CA 0.190 53.153 53.050 -0.145 0.000 0.895 597 N CB 0.304 38.716 38.487 -0.124 0.000 0.988 597 N HN 0.677 nan 8.380 nan 0.000 0.457 598 G N -0.396 108.269 108.800 -0.226 0.000 2.719 598 G HA2 0.226 4.186 3.960 -0.000 0.000 0.686 598 G HA3 0.226 4.186 3.960 -0.000 0.000 0.686 598 G C 0.379 175.185 174.900 -0.158 0.000 1.201 598 G CA -0.551 44.449 45.100 -0.168 0.000 0.768 598 G HN 0.570 nan 8.290 nan 0.000 0.629 599 G N 0.304 109.033 108.800 -0.119 0.000 2.225 599 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.264 599 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.264 599 G C 0.571 175.422 174.900 -0.082 0.000 1.060 599 G CA 0.975 46.028 45.100 -0.078 0.000 0.833 599 G HN 2.400 nan 8.290 nan 0.000 0.498 600 N N -1.814 116.811 118.700 -0.124 0.000 2.754 600 N HA -0.191 4.549 4.740 -0.000 0.000 0.248 600 N C 0.121 175.570 175.510 -0.102 0.000 1.093 600 N CA 0.890 53.907 53.050 -0.055 0.000 0.699 600 N CB -0.893 37.645 38.487 0.086 0.000 1.016 600 N HN 0.816 nan 8.380 nan 0.000 0.552 601 S N 0.228 115.723 115.700 -0.343 0.000 2.498 601 S HA 0.638 5.108 4.470 -0.000 0.000 0.317 601 S C -1.064 173.276 174.600 -0.433 0.000 1.090 601 S CA -0.493 57.576 58.200 -0.218 0.000 1.089 601 S CB 0.629 63.748 63.200 -0.135 0.000 0.997 601 S HN 0.261 nan 8.310 nan 0.000 0.470 602 Y N 1.613 121.940 120.300 0.045 0.000 2.536 602 Y HA 0.642 5.192 4.550 -0.000 0.000 0.347 602 Y C 0.444 176.391 175.900 0.079 0.000 1.000 602 Y CA -0.782 57.361 58.100 0.073 0.000 1.051 602 Y CB 2.362 40.886 38.460 0.106 0.000 1.259 602 Y HN 0.524 nan 8.280 nan 0.000 0.468 603 S N 2.245 118.087 115.700 0.237 0.000 2.548 603 S HA 0.809 5.279 4.470 -0.000 0.000 0.286 603 S C -1.502 173.223 174.600 0.209 0.000 1.098 603 S CA -0.795 57.461 58.200 0.094 0.000 0.930 603 S CB 1.337 64.535 63.200 -0.003 0.000 1.070 603 S HN 0.523 nan 8.310 nan 0.000 0.480 604 F N -0.278 119.689 119.950 0.028 0.000 2.662 604 F HA 0.697 5.224 4.527 -0.000 0.000 0.312 604 F C -0.951 174.839 175.800 -0.016 0.000 1.113 604 F CA -1.021 56.984 58.000 0.008 0.000 0.951 604 F CB 1.399 40.401 39.000 0.004 0.000 1.344 604 F HN 0.464 nan 8.300 nan 0.000 0.462 605 Q N 1.831 121.755 119.800 0.207 0.000 2.333 605 Q HA 0.627 4.967 4.340 -0.000 0.000 0.267 605 Q C -1.662 174.413 176.000 0.125 0.000 1.012 605 Q CA -1.024 54.825 55.803 0.077 0.000 0.824 605 Q CB 2.549 31.303 28.738 0.027 0.000 1.290 605 Q HN 0.772 nan 8.270 nan 0.000 0.449 606 V N 5.943 125.887 119.914 0.049 0.000 2.488 606 V HA 0.217 4.337 4.120 -0.000 0.000 0.277 606 V C -2.110 173.949 176.094 -0.058 0.000 1.046 606 V CA -1.463 60.826 62.300 -0.019 0.000 0.986 606 V CB 0.782 32.554 31.823 -0.085 0.000 0.989 606 V HN 0.791 nan 8.190 nan 0.000 0.475 607 P HA -0.038 nan 4.420 nan 0.000 0.261 607 P C 0.976 178.230 177.300 -0.077 0.000 1.165 607 P CA 0.495 63.554 63.100 -0.069 0.000 0.759 607 P CB 0.488 32.144 31.700 -0.075 0.000 0.772 608 S N 1.344 117.005 115.700 -0.064 0.000 2.399 608 S HA -0.135 4.335 4.470 -0.000 0.000 0.231 608 S C 0.829 175.385 174.600 -0.074 0.000 1.022 608 S CA 0.820 58.982 58.200 -0.063 0.000 0.983 608 S CB -0.468 62.700 63.200 -0.053 0.000 0.803 608 S HN 0.449 nan 8.310 nan 0.000 0.480 609 D N 2.024 122.368 120.400 -0.094 0.000 2.317 609 D HA 0.228 4.868 4.640 -0.000 0.000 0.252 609 D C 0.954 177.188 176.300 -0.110 0.000 1.174 609 D CA 0.266 54.192 54.000 -0.123 0.000 0.866 609 D CB 1.578 42.265 40.800 -0.188 0.000 1.127 609 D HN 0.401 nan 8.370 nan 0.000 0.467 610 S N 1.765 117.418 115.700 -0.079 0.000 2.561 610 S HA -0.001 4.469 4.470 -0.000 0.000 0.225 610 S C 1.723 176.318 174.600 -0.009 0.000 0.977 610 S CA 0.347 58.531 58.200 -0.027 0.000 0.926 610 S CB 0.281 63.478 63.200 -0.005 0.000 0.769 610 S HN 0.486 nan 8.310 nan 0.000 0.533 611 G N 0.865 109.598 108.800 -0.110 0.000 2.551 611 G HA2 0.115 4.075 3.960 -0.000 0.000 0.216 611 G HA3 0.115 4.075 3.960 -0.000 0.000 0.216 611 G C 1.175 175.976 174.900 -0.164 0.000 1.137 611 G CA 0.587 45.599 45.100 -0.146 0.000 0.798 611 G HN 0.463 nan 8.290 nan 0.000 0.536 612 V N 0.684 120.474 119.914 -0.207 0.000 2.436 612 V HA 0.327 4.447 4.120 -0.000 0.000 0.240 612 V C 1.852 178.042 176.094 0.161 0.000 1.040 612 V CA 1.275 63.533 62.300 -0.070 0.000 1.052 612 V CB -0.040 31.693 31.823 -0.149 0.000 0.707 612 V HN 0.316 nan 8.190 nan 0.000 0.469 613 A N 1.185 124.048 122.820 0.072 0.000 3.016 613 A HA 0.499 4.819 4.320 -0.000 0.000 0.303 613 A C -0.036 177.701 177.584 0.255 0.000 1.507 613 A CA -0.249 51.836 52.037 0.079 0.000 1.196 613 A CB -0.746 18.147 19.000 -0.178 0.000 1.169 613 A HN 0.451 nan 8.150 nan 0.000 0.544 614 L N 3.648 125.186 121.223 0.524 0.000 2.499 614 L HA 0.150 4.490 4.340 -0.000 0.000 0.273 614 L C -1.671 175.489 176.870 0.482 0.000 1.195 614 L CA -1.252 53.841 54.840 0.421 0.000 0.882 614 L CB 0.600 42.878 42.059 0.365 0.000 1.133 614 L HN 0.442 nan 8.230 nan 0.000 0.483 615 P HA 0.182 nan 4.420 nan 0.000 0.268 615 P C 0.100 177.535 177.300 0.226 0.000 1.204 615 P CA 0.296 63.533 63.100 0.229 0.000 0.768 615 P CB 1.358 33.123 31.700 0.108 0.000 0.842 616 G N 2.149 111.076 108.800 0.211 0.000 2.373 616 G HA2 0.118 4.078 3.960 -0.000 0.000 0.250 616 G HA3 0.118 4.078 3.960 -0.000 0.000 0.250 616 G C -1.978 172.998 174.900 0.127 0.000 1.304 616 G CA -0.721 44.435 45.100 0.094 0.000 0.948 616 G HN 0.310 nan 8.290 nan 0.000 0.474 617 Y N -0.210 120.231 120.300 0.235 0.000 2.330 617 Y HA 0.690 5.240 4.550 -0.000 0.000 0.336 617 Y C -0.233 175.927 175.900 0.432 0.000 1.036 617 Y CA -0.140 58.157 58.100 0.329 0.000 1.125 617 Y CB 1.501 40.036 38.460 0.125 0.000 1.194 617 Y HN 0.563 nan 8.280 nan 0.000 0.469 618 W N 2.920 124.497 121.300 0.462 0.000 2.882 618 W HA 0.695 5.355 4.660 -0.000 0.000 0.345 618 W C -0.965 175.636 176.519 0.137 0.000 1.125 618 W CA -1.085 56.416 57.345 0.260 0.000 1.167 618 W CB 1.314 30.871 29.460 0.163 0.000 1.431 618 W HN 0.216 nan 8.180 nan 0.000 0.543 619 M N 2.958 122.637 119.600 0.132 0.000 2.205 619 M HA 0.358 4.838 4.480 -0.000 0.000 0.344 619 M C -0.977 175.289 176.300 -0.057 0.000 1.085 619 M CA -1.085 54.140 55.300 -0.126 0.000 1.001 619 M CB 1.231 33.635 32.600 -0.327 0.000 1.626 619 M HN 0.176 nan 8.290 nan 0.000 0.442 620 L N 4.699 125.812 121.223 -0.182 0.000 2.265 620 L HA 0.597 4.937 4.340 -0.000 0.000 0.289 620 L C -1.816 174.868 176.870 -0.310 0.000 1.033 620 L CA 0.232 54.993 54.840 -0.131 0.000 0.814 620 L CB 0.264 42.311 42.059 -0.020 0.000 1.203 620 L HN 0.435 nan 8.230 nan 0.000 0.423 621 F N 4.769 124.673 119.950 -0.077 0.000 2.520 621 F HA 0.658 5.185 4.527 -0.000 0.000 0.322 621 F C -0.105 175.609 175.800 -0.143 0.000 1.103 621 F CA -0.742 57.195 58.000 -0.105 0.000 0.926 621 F CB 2.190 41.116 39.000 -0.124 0.000 1.154 621 F HN 0.354 nan 8.300 nan 0.000 0.453 622 V N 1.343 121.294 119.914 0.062 0.000 2.604 622 V HA 0.762 4.882 4.120 -0.000 0.000 0.305 622 V C -0.650 175.405 176.094 -0.065 0.000 1.043 622 V CA -0.889 61.380 62.300 -0.051 0.000 0.888 622 V CB 1.763 33.532 31.823 -0.089 0.000 0.995 622 V HN 0.770 nan 8.190 nan 0.000 0.429 623 M N 4.821 124.354 119.600 -0.112 0.000 2.383 623 M HA 0.525 5.005 4.480 -0.000 0.000 0.325 623 M C -0.025 176.209 176.300 -0.110 0.000 1.092 623 M CA -0.398 54.831 55.300 -0.120 0.000 0.961 623 M CB 1.907 34.420 32.600 -0.144 0.000 1.672 623 M HN 0.997 nan 8.290 nan 0.000 0.438 624 N N 0.371 119.020 118.700 -0.085 0.000 2.374 624 N HA 0.243 4.983 4.740 -0.000 0.000 0.284 624 N C 0.686 176.164 175.510 -0.053 0.000 1.280 624 N CA -0.253 52.759 53.050 -0.064 0.000 0.963 624 N CB -0.111 38.352 38.487 -0.041 0.000 1.141 624 N HN 0.647 nan 8.380 nan 0.000 0.565 625 S N -2.570 113.110 115.700 -0.034 0.000 2.423 625 S HA -0.044 4.426 4.470 -0.000 0.000 0.231 625 S C 1.652 176.238 174.600 -0.023 0.000 1.014 625 S CA 0.576 58.762 58.200 -0.024 0.000 0.965 625 S CB -0.882 62.312 63.200 -0.011 0.000 0.785 625 S HN 0.760 nan 8.310 nan 0.000 0.495 626 A N 0.885 123.691 122.820 -0.023 0.000 2.123 626 A HA 0.550 4.869 4.320 -0.000 0.000 0.214 626 A C 1.845 179.416 177.584 -0.022 0.000 1.152 626 A CA 0.683 52.709 52.037 -0.017 0.000 0.728 626 A CB -0.960 18.033 19.000 -0.011 0.000 0.814 626 A HN 1.511 nan 8.150 nan 0.000 0.464 627 G N -1.677 107.099 108.800 -0.040 0.000 2.157 627 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.239 627 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.239 627 G C 0.093 174.944 174.900 -0.081 0.000 0.982 627 G CA 0.021 45.087 45.100 -0.057 0.000 0.650 627 G HN 0.819 nan 8.290 nan 0.000 0.527 628 V N 3.109 122.982 119.914 -0.067 0.000 2.455 628 V HA 0.445 4.565 4.120 -0.000 0.000 0.273 628 V C -0.916 175.104 176.094 -0.123 0.000 1.045 628 V CA -1.000 61.255 62.300 -0.076 0.000 0.976 628 V CB 1.193 32.992 31.823 -0.041 0.000 0.993 628 V HN 0.298 nan 8.190 nan 0.000 0.475 629 P HA 0.321 nan 4.420 nan 0.000 0.278 629 P C -0.339 176.949 177.300 -0.020 0.000 1.266 629 P CA -0.360 62.646 63.100 -0.157 0.000 0.807 629 P CB 1.511 32.990 31.700 -0.369 0.000 1.094 630 S N -0.298 115.448 115.700 0.077 0.000 2.719 630 S HA 0.510 4.980 4.470 -0.000 0.000 0.285 630 S C 0.589 175.279 174.600 0.151 0.000 1.137 630 S CA -0.701 57.544 58.200 0.074 0.000 1.012 630 S CB 0.165 63.383 63.200 0.030 0.000 1.134 630 S HN 0.444 nan 8.310 nan 0.000 0.544 631 V N -1.437 118.504 119.914 0.045 0.000 2.953 631 V HA 0.784 4.904 4.120 -0.000 0.000 0.304 631 V C 0.534 176.497 176.094 -0.219 0.000 1.073 631 V CA -0.805 61.497 62.300 0.004 0.000 1.064 631 V CB -0.111 31.708 31.823 -0.007 0.000 1.047 631 V HN 1.200 nan 8.190 nan 0.000 0.478 632 A N 2.972 125.533 122.820 -0.432 0.000 2.388 632 A HA 0.607 4.927 4.320 -0.000 0.000 0.257 632 A C 0.490 177.906 177.584 -0.279 0.000 1.095 632 A CA -0.192 51.440 52.037 -0.676 0.000 0.791 632 A CB 0.021 18.494 19.000 -0.877 0.000 1.029 632 A HN 1.040 nan 8.150 nan 0.000 0.489 633 S N 1.256 116.823 115.700 -0.222 0.000 2.433 633 S HA 0.400 4.870 4.470 -0.000 0.000 0.310 633 S C -0.007 174.603 174.600 0.017 0.000 1.097 633 S CA -0.417 57.747 58.200 -0.061 0.000 1.103 633 S CB 1.162 64.348 63.200 -0.024 0.000 0.992 633 S HN 0.724 nan 8.310 nan 0.000 0.469 634 T N 4.776 119.386 114.554 0.095 0.000 2.769 634 T HA 0.258 4.608 4.350 -0.000 0.000 0.293 634 T C -0.019 174.820 174.700 0.231 0.000 0.931 634 T CA -0.077 62.157 62.100 0.222 0.000 1.139 634 T CB -0.270 68.724 68.868 0.209 0.000 0.881 634 T HN 0.331 nan 8.240 nan 0.000 0.532 635 I N 3.448 124.195 120.570 0.294 0.000 2.433 635 I HA 0.409 4.579 4.170 -0.000 0.000 0.292 635 I C 0.360 176.664 176.117 0.312 0.000 1.001 635 I CA -0.816 60.632 61.300 0.247 0.000 1.119 635 I CB 1.746 39.869 38.000 0.204 0.000 1.289 635 I HN 0.504 nan 8.210 nan 0.000 0.438 636 R N 5.148 125.761 120.500 0.189 0.000 2.255 636 R HA 0.634 4.974 4.340 -0.000 0.000 0.326 636 R C -1.385 174.937 176.300 0.036 0.000 0.986 636 R CA -0.440 55.703 56.100 0.072 0.000 0.847 636 R CB 1.404 31.635 30.300 -0.115 0.000 1.111 636 R HN 0.429 nan 8.270 nan 0.000 0.452 637 V N 4.554 124.513 119.914 0.075 0.000 2.394 637 V HA 0.364 4.484 4.120 -0.000 0.000 0.282 637 V C 0.284 176.385 176.094 0.012 0.000 1.031 637 V CA -0.429 61.871 62.300 0.000 0.000 0.881 637 V CB 1.560 33.313 31.823 -0.117 0.000 0.982 637 V HN 1.001 nan 8.190 nan 0.000 0.451 638 T N 2.622 117.163 114.554 -0.021 0.000 2.910 638 T HA 0.899 5.249 4.350 -0.000 0.000 0.287 638 T C -0.666 174.023 174.700 -0.018 0.000 1.050 638 T CA -0.867 61.222 62.100 -0.020 0.000 1.011 638 T CB 2.279 71.125 68.868 -0.037 0.000 1.195 638 T HN 0.687 nan 8.240 nan 0.000 0.540 639 Q N 0.000 119.791 119.800 -0.015 0.000 2.315 639 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 639 Q CA 0.000 55.793 55.803 -0.017 0.000 1.022 639 Q CB 0.000 28.734 28.738 -0.006 0.000 1.108 639 Q HN 0.000 nan 8.270 nan 0.000 0.481