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 2vz1_1_A DATA FIRST_RESID 1 DATA SEQUENCE ASAPIGSAIS RNNWAVTcDS AQSGNEcNKA IDGNKDTFWH TFYGANGDPK DATA SEQUENCE PPHTYTIDMK TTQNVNGLSM LPRQDGNQNG WIGRHEVYLS SDGTNWGSPV DATA SEQUENCE ASGSWFADST TKYSNFETRP ARYVRLVAIT EANGQPWTSI AEINVFQASS DATA SEQUENCE YTAPQPGLGR WGPTIDLPIV PAAAAIEPTS GRVLMWSSYR NDAFGGSPGG DATA SEQUENCE ITLTSSWDPS TGIVSDRTVT VTKHDMFCPG ISMDGNGQIV VTGGNDAKKT DATA SEQUENCE SLYDSSSDSW IPGPDMQVAR GYQSSATMSD GRVFTIGGSW SGGVFEKNGE DATA SEQUENCE VYSPSSKTWT SLPNAKVNPM LTADKQGLYR SDNHAWLFGW KKGSVFQAGP DATA SEQUENCE STAMNWYYTS GSGDVKSAGK RQSNRGVAPD AMCGNAVMYD AVKGKILTFG DATA SEQUENCE GSPDYQDSDA TTNAHIITLG EPGTSPNTVF ASNGLYFART FHTSVVLPDG DATA SEQUENCE STFITGGQRR GIPFEDSTPV FTPEIYVPEQ DTFYKQNPNS IVRVYHSISL DATA SEQUENCE LLPDGRVFNG GGGLCGDCTT NHFDAQIFTP NYLYNSNGNL ATRPKITRTS DATA SEQUENCE TQSVKVGGRI TISTDSSISK ASLIRYGTAT HTVNTDQRRI PLTLTNNGGN DATA SEQUENCE SYSFQVPSDS GVALPGYWML FVMNSAGVPS VASTIRVTQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.630 177.584 0.077 0.000 1.274 1 A CA 0.000 52.057 52.037 0.034 0.000 0.836 1 A CB 0.000 18.992 19.000 -0.014 0.000 0.831 2 S N -1.922 113.787 115.700 0.015 0.000 2.880 2 S HA 0.967 5.438 4.470 0.002 0.000 0.308 2 S C -1.130 173.147 174.600 -0.539 0.000 1.195 2 S CA 0.394 58.471 58.200 -0.206 0.000 0.866 2 S CB 1.539 64.717 63.200 -0.036 0.000 1.254 2 S HN 2.571 nan 8.310 nan 0.000 0.571 3 A N 1.662 123.918 122.820 -0.940 0.000 2.604 3 A HA 0.789 5.110 4.320 0.002 0.000 0.295 3 A C -3.143 173.861 177.584 -0.966 0.000 1.067 3 A CA -1.285 50.248 52.037 -0.841 0.000 0.683 3 A CB 1.366 20.127 19.000 -0.398 0.000 1.281 3 A HN 0.504 nan 8.150 nan 0.000 0.407 4 P HA 0.335 nan 4.420 nan 0.000 0.274 4 P C 0.695 177.735 177.300 -0.432 0.000 1.231 4 P CA -0.320 62.369 63.100 -0.686 0.000 0.790 4 P CB 0.617 31.487 31.700 -1.383 0.000 0.951 5 I N -1.350 119.027 120.570 -0.322 0.000 3.030 5 I HA 0.242 4.413 4.170 0.002 0.000 0.270 5 I C 0.961 176.996 176.117 -0.136 0.000 1.211 5 I CA 0.342 61.532 61.300 -0.184 0.000 1.479 5 I CB -0.392 37.521 38.000 -0.145 0.000 1.105 5 I HN 0.231 nan 8.210 nan 0.000 0.447 6 G N 0.952 109.680 108.800 -0.121 0.000 2.971 6 G HA2 0.603 4.564 3.960 0.002 0.000 0.235 6 G HA3 0.603 4.564 3.960 0.002 0.000 0.235 6 G C -0.903 174.120 174.900 0.206 0.000 1.351 6 G CA -0.048 45.080 45.100 0.047 0.000 1.039 6 G HN 0.363 nan 8.290 nan 0.000 0.563 7 S N -1.371 114.508 115.700 0.298 0.000 2.513 7 S HA 0.685 5.156 4.470 0.002 0.000 0.299 7 S C 0.030 174.789 174.600 0.264 0.000 1.087 7 S CA -0.073 58.320 58.200 0.323 0.000 1.012 7 S CB 1.569 64.854 63.200 0.141 0.000 1.044 7 S HN 1.523 nan 8.310 nan 0.000 0.485 8 A N 3.450 126.347 122.820 0.128 0.000 2.548 8 A HA 0.348 4.669 4.320 0.002 0.000 0.247 8 A C 0.316 177.784 177.584 -0.193 0.000 1.067 8 A CA -0.261 51.558 52.037 -0.364 0.000 0.757 8 A CB -0.728 18.109 19.000 -0.272 0.000 0.996 8 A HN 0.856 nan 8.150 nan 0.000 0.504 9 I N 2.689 123.148 120.570 -0.186 0.000 2.588 9 I HA 0.045 4.216 4.170 0.002 0.000 0.283 9 I C 1.194 177.209 176.117 -0.171 0.000 1.119 9 I CA 0.179 61.463 61.300 -0.027 0.000 1.419 9 I CB 1.022 39.153 38.000 0.218 0.000 1.394 9 I HN 0.802 nan 8.210 nan 0.000 0.562 10 S N 6.425 122.036 115.700 -0.149 0.000 2.525 10 S HA 0.146 4.617 4.470 0.002 0.000 0.285 10 S C 0.654 174.931 174.600 -0.539 0.000 1.283 10 S CA -0.439 57.601 58.200 -0.268 0.000 1.072 10 S CB 0.556 63.667 63.200 -0.148 0.000 0.867 10 S HN 0.632 nan 8.310 nan 0.000 0.492 11 R N 2.099 122.107 120.500 -0.821 0.000 2.427 11 R HA 0.149 4.490 4.340 0.002 0.000 0.262 11 R C 0.609 176.485 176.300 -0.707 0.000 0.943 11 R CA -0.082 55.137 56.100 -1.469 0.000 1.081 11 R CB -0.241 29.215 30.300 -1.407 0.000 1.166 11 R HN 0.624 nan 8.270 nan 0.000 0.534 12 N N 1.192 119.668 118.700 -0.374 0.000 2.223 12 N HA -0.138 4.604 4.740 0.002 0.000 0.185 12 N C 0.840 176.310 175.510 -0.066 0.000 1.016 12 N CA 1.134 54.082 53.050 -0.170 0.000 0.863 12 N CB -0.035 38.384 38.487 -0.113 0.000 0.983 12 N HN 0.200 nan 8.380 nan 0.000 0.429 13 N N -0.909 117.789 118.700 -0.004 0.000 2.236 13 N HA -0.001 4.740 4.740 0.002 0.000 0.196 13 N C -0.585 175.062 175.510 0.230 0.000 1.114 13 N CA -0.072 53.038 53.050 0.101 0.000 0.859 13 N CB 0.052 38.601 38.487 0.103 0.000 0.982 13 N HN 0.200 nan 8.380 nan 0.000 0.493 14 W N 2.084 123.372 121.300 -0.020 0.000 2.223 14 W HA 0.345 5.007 4.660 0.004 0.000 0.334 14 W C 0.560 177.073 176.519 -0.010 0.000 1.334 14 W CA -1.364 55.971 57.345 -0.016 0.000 1.246 14 W CB -0.087 29.375 29.460 0.003 0.000 1.184 14 W HN -0.118 nan 8.180 nan 0.000 0.563 15 A N 3.857 126.777 122.820 0.167 0.000 2.304 15 A HA 0.769 5.090 4.320 0.002 0.000 0.323 15 A C -0.760 176.847 177.584 0.039 0.000 1.195 15 A CA -0.684 51.404 52.037 0.085 0.000 0.826 15 A CB 0.809 19.837 19.000 0.046 0.000 1.184 15 A HN 0.633 nan 8.150 nan 0.000 0.496 16 V N 0.103 120.013 119.914 -0.006 0.000 2.715 16 V HA 0.945 5.066 4.120 0.002 0.000 0.310 16 V C -0.324 175.612 176.094 -0.263 0.000 1.054 16 V CA -0.468 61.742 62.300 -0.150 0.000 0.928 16 V CB 1.532 33.266 31.823 -0.148 0.000 1.007 16 V HN 0.805 nan 8.190 nan 0.000 0.437 17 T N 2.200 116.509 114.554 -0.408 0.000 2.921 17 T HA 0.608 4.959 4.350 0.002 0.000 0.297 17 T C -0.737 173.638 174.700 -0.543 0.000 1.013 17 T CA -0.319 61.570 62.100 -0.351 0.000 0.990 17 T CB 1.253 70.014 68.868 -0.178 0.000 1.023 17 T HN 0.971 nan 8.240 nan 0.000 0.447 18 c N 2.735 121.058 118.600 -0.461 0.000 2.563 18 c HA 0.428 4.999 4.570 0.002 0.000 0.314 18 c C 1.768 175.763 174.090 -0.158 0.000 1.199 18 c CA -0.825 55.227 56.329 -0.462 0.000 1.564 18 c CB 1.641 43.750 42.510 -0.669 0.000 2.173 18 c HN 1.087 nan 8.230 nan 0.000 0.485 19 D N 1.571 121.959 120.400 -0.020 0.000 2.149 19 D HA -0.103 4.538 4.640 0.002 0.000 0.198 19 D C 0.632 176.907 176.300 -0.042 0.000 0.990 19 D CA 1.646 55.661 54.000 0.025 0.000 0.839 19 D CB 0.094 40.965 40.800 0.119 0.000 0.948 19 D HN 0.643 nan 8.370 nan 0.000 0.460 20 S N -1.415 114.250 115.700 -0.059 0.000 2.596 20 S HA 0.705 5.176 4.470 0.002 0.000 0.270 20 S C -1.455 173.061 174.600 -0.139 0.000 1.155 20 S CA -0.461 57.453 58.200 -0.478 0.000 0.827 20 S CB 2.307 64.808 63.200 -1.165 0.000 1.130 20 S HN 0.623 nan 8.310 nan 0.000 0.467 21 A N 1.494 124.165 122.820 -0.248 0.000 2.480 21 A HA 0.626 4.948 4.320 0.002 0.000 0.289 21 A C -0.869 176.933 177.584 0.363 0.000 1.044 21 A CA -0.708 51.480 52.037 0.252 0.000 0.761 21 A CB 1.327 20.551 19.000 0.373 0.000 1.289 21 A HN 0.687 nan 8.150 nan 0.000 0.401 22 Q N 1.447 121.494 119.800 0.412 0.000 2.364 22 Q HA 0.249 4.590 4.340 0.002 0.000 0.267 22 Q C 0.794 176.919 176.000 0.208 0.000 0.999 22 Q CA 0.398 56.392 55.803 0.319 0.000 0.886 22 Q CB 0.995 29.847 28.738 0.190 0.000 1.243 22 Q HN 0.964 nan 8.270 nan 0.000 0.415 23 S N -0.050 115.725 115.700 0.125 0.000 2.562 23 S HA 0.389 4.861 4.470 0.002 0.000 0.281 23 S C 1.094 175.716 174.600 0.036 0.000 1.333 23 S CA 0.096 58.340 58.200 0.074 0.000 1.052 23 S CB 0.985 64.206 63.200 0.035 0.000 0.884 23 S HN 0.925 nan 8.310 nan 0.000 0.506 24 G N 2.782 111.597 108.800 0.025 0.000 2.241 24 G HA2 -0.263 3.698 3.960 0.002 0.000 0.244 24 G HA3 -0.263 3.698 3.960 0.002 0.000 0.244 24 G C 0.052 174.926 174.900 -0.042 0.000 0.998 24 G CA 0.192 45.280 45.100 -0.019 0.000 0.621 24 G HN 0.834 nan 8.290 nan 0.000 0.519 25 N N 0.616 119.343 118.700 0.045 0.000 2.588 25 N HA 0.370 5.111 4.740 0.002 0.000 0.298 25 N C -0.540 175.138 175.510 0.280 0.000 1.718 25 N CA -0.496 52.611 53.050 0.094 0.000 0.888 25 N CB 0.833 39.403 38.487 0.137 0.000 1.389 25 N HN 0.315 nan 8.380 nan 0.000 0.491 26 E N -0.016 120.309 120.200 0.209 0.000 2.436 26 E HA -0.062 4.289 4.350 0.002 0.000 0.262 26 E C 0.877 177.637 176.600 0.267 0.000 1.063 26 E CA -0.065 56.467 56.400 0.218 0.000 0.944 26 E CB 0.517 30.288 29.700 0.118 0.000 0.950 26 E HN 0.207 nan 8.360 nan 0.000 0.444 27 c N 2.475 121.140 118.600 0.109 0.000 2.396 27 c HA -0.197 4.374 4.570 0.002 0.000 0.277 27 c C 1.984 176.112 174.090 0.063 0.000 1.231 27 c CA 1.659 57.891 56.329 -0.162 0.000 1.775 27 c CB -1.113 41.158 42.510 -0.399 0.000 2.036 27 c HN 0.852 nan 8.230 nan 0.000 0.484 28 N N -0.293 118.459 118.700 0.087 0.000 2.515 28 N HA -0.081 4.660 4.740 0.002 0.000 0.185 28 N C 1.210 176.812 175.510 0.155 0.000 1.109 28 N CA 0.691 53.816 53.050 0.126 0.000 0.903 28 N CB -0.493 38.041 38.487 0.078 0.000 0.969 28 N HN 0.436 nan 8.380 nan 0.000 0.450 29 K N 0.857 121.368 120.400 0.185 0.000 2.283 29 K HA 0.096 4.418 4.320 0.002 0.000 0.202 29 K C 1.665 178.386 176.600 0.202 0.000 1.048 29 K CA 0.859 57.246 56.287 0.166 0.000 0.948 29 K CB -0.340 32.251 32.500 0.151 0.000 0.742 29 K HN 0.372 nan 8.250 nan 0.000 0.458 30 A N 1.158 124.146 122.820 0.279 0.000 2.169 30 A HA 0.019 4.340 4.320 0.002 0.000 0.212 30 A C 1.681 179.347 177.584 0.138 0.000 1.153 30 A CA 0.450 52.616 52.037 0.215 0.000 0.756 30 A CB -0.441 18.662 19.000 0.171 0.000 0.813 30 A HN 0.390 nan 8.150 nan 0.000 0.471 31 I N -3.530 117.136 120.570 0.160 0.000 3.833 31 I HA 0.269 4.440 4.170 0.002 0.000 0.328 31 I C 0.367 176.493 176.117 0.015 0.000 1.554 31 I CA 0.109 61.463 61.300 0.091 0.000 1.116 31 I CB 0.519 38.628 38.000 0.183 0.000 1.182 31 I HN 0.045 nan 8.210 nan 0.000 0.459 32 D N 1.024 121.444 120.400 0.033 0.000 2.339 32 D HA 0.139 4.780 4.640 0.002 0.000 0.217 32 D C 1.672 177.963 176.300 -0.016 0.000 1.050 32 D CA 0.650 54.654 54.000 0.007 0.000 0.856 32 D CB 0.155 40.970 40.800 0.026 0.000 0.922 32 D HN 0.456 nan 8.370 nan 0.000 0.518 33 G N 0.332 109.119 108.800 -0.021 0.000 2.159 33 G HA2 -0.303 3.658 3.960 0.002 0.000 0.256 33 G HA3 -0.303 3.658 3.960 0.002 0.000 0.256 33 G C -0.020 174.877 174.900 -0.006 0.000 0.977 33 G CA 0.112 45.194 45.100 -0.030 0.000 0.652 33 G HN 0.596 nan 8.290 nan 0.000 0.531 34 N N 0.587 119.295 118.700 0.013 0.000 2.446 34 N HA 0.351 5.092 4.740 0.002 0.000 0.265 34 N C 1.397 176.936 175.510 0.048 0.000 0.975 34 N CA -0.256 52.809 53.050 0.025 0.000 0.928 34 N CB 0.996 39.496 38.487 0.022 0.000 1.160 34 N HN 0.472 nan 8.380 nan 0.000 0.495 35 K N 1.653 122.080 120.400 0.044 0.000 2.442 35 K HA 0.001 4.322 4.320 0.002 0.000 0.198 35 K C -0.390 176.271 176.600 0.101 0.000 1.042 35 K CA 1.014 57.337 56.287 0.059 0.000 0.958 35 K CB 0.359 32.879 32.500 0.033 0.000 0.766 35 K HN 0.267 nan 8.250 nan 0.000 0.474 36 D N 1.523 121.981 120.400 0.096 0.000 2.379 36 D HA -0.011 4.630 4.640 0.002 0.000 0.208 36 D C 0.023 176.405 176.300 0.137 0.000 1.065 36 D CA 0.580 54.655 54.000 0.126 0.000 0.848 36 D CB 0.785 41.631 40.800 0.076 0.000 0.949 36 D HN 0.409 nan 8.370 nan 0.000 0.509 37 T N -0.678 113.935 114.554 0.099 0.000 2.824 37 T HA 0.628 4.979 4.350 0.002 0.000 0.280 37 T C -0.297 174.487 174.700 0.140 0.000 0.995 37 T CA -0.933 61.168 62.100 0.001 0.000 1.009 37 T CB 1.075 69.932 68.868 -0.017 0.000 0.955 37 T HN -0.011 nan 8.240 nan 0.000 0.452 38 F N -0.056 119.964 119.950 0.117 0.000 2.569 38 F HA 0.696 5.224 4.527 0.002 0.000 0.312 38 F C -0.687 175.262 175.800 0.248 0.000 1.109 38 F CA -2.236 55.859 58.000 0.159 0.000 0.919 38 F CB 0.772 39.837 39.000 0.108 0.000 1.211 38 F HN 0.830 nan 8.300 nan 0.000 0.446 39 W N 5.158 126.641 121.300 0.305 0.000 2.193 39 W HA 0.391 5.051 4.660 0.000 0.000 0.338 39 W C -1.146 175.622 176.519 0.414 0.000 1.310 39 W CA 0.313 57.838 57.345 0.299 0.000 1.243 39 W CB 0.196 29.855 29.460 0.331 0.000 1.165 39 W HN 0.776 nan 8.180 nan 0.000 0.566 40 H N 3.875 122.776 119.070 -0.282 0.000 2.865 40 H HA 0.222 4.780 4.556 0.002 0.000 0.362 40 H C -0.060 175.030 175.328 -0.397 0.000 1.114 40 H CA 0.043 55.859 56.048 -0.387 0.000 1.208 40 H CB 1.692 31.505 29.762 0.085 0.000 1.727 40 H HN 0.524 nan 8.280 nan 0.000 0.534 41 T N 0.737 115.048 114.554 -0.404 0.000 2.698 41 T HA 0.207 4.559 4.350 0.002 0.000 0.295 41 T C 0.610 175.543 174.700 0.389 0.000 1.007 41 T CA -0.600 61.431 62.100 -0.115 0.000 0.980 41 T CB 0.341 68.898 68.868 -0.518 0.000 1.036 41 T HN 0.190 nan 8.240 nan 0.000 0.526 42 F N 2.491 122.589 119.950 0.247 0.000 2.608 42 F HA 0.337 4.866 4.527 0.002 0.000 0.380 42 F C 0.334 176.402 175.800 0.448 0.000 1.083 42 F CA -0.890 57.260 58.000 0.250 0.000 1.266 42 F CB -1.064 38.042 39.000 0.177 0.000 1.076 42 F HN 0.671 nan 8.300 nan 0.000 0.574 43 Y N -0.235 120.279 120.300 0.357 0.000 2.615 43 Y HA 0.709 5.260 4.550 0.001 0.000 0.341 43 Y C 0.543 176.509 175.900 0.110 0.000 1.089 43 Y CA -1.327 56.940 58.100 0.278 0.000 1.049 43 Y CB 0.733 39.145 38.460 -0.079 0.000 1.296 43 Y HN 0.816 nan 8.280 nan 0.000 0.470 44 G N 1.436 110.364 108.800 0.214 0.000 2.752 44 G HA2 -0.407 3.554 3.960 0.002 0.000 0.349 44 G HA3 -0.407 3.554 3.960 0.002 0.000 0.349 44 G C 1.499 176.358 174.900 -0.069 0.000 1.181 44 G CA 2.327 47.458 45.100 0.052 0.000 0.949 44 G HN 1.942 nan 8.290 nan 0.000 0.562 45 A N -0.046 122.662 122.820 -0.187 0.000 1.923 45 A HA -0.257 4.064 4.320 0.002 0.000 0.222 45 A C 1.976 179.431 177.584 -0.215 0.000 1.258 45 A CA 2.919 54.839 52.037 -0.197 0.000 0.670 45 A CB -0.629 18.221 19.000 -0.250 0.000 0.834 45 A HN 0.782 nan 8.150 nan 0.000 0.470 46 N N -0.123 118.395 118.700 -0.303 0.000 2.322 46 N HA 0.314 5.055 4.740 0.002 0.000 0.194 46 N C 0.882 176.286 175.510 -0.178 0.000 1.126 46 N CA 1.036 53.825 53.050 -0.436 0.000 0.845 46 N CB 0.186 37.978 38.487 -1.159 0.000 0.976 46 N HN 0.861 nan 8.380 nan 0.000 0.475 47 G N 1.104 109.890 108.800 -0.024 0.000 2.796 47 G HA2 -0.199 3.762 3.960 0.002 0.000 0.571 47 G HA3 -0.199 3.762 3.960 0.002 0.000 0.571 47 G C -1.287 173.760 174.900 0.245 0.000 1.370 47 G CA -0.675 44.484 45.100 0.098 0.000 0.856 47 G HN 0.242 nan 8.290 nan 0.000 0.538 48 D N 1.809 122.365 120.400 0.260 0.000 2.517 48 D HA 0.337 4.978 4.640 0.002 0.000 0.301 48 D C -2.241 174.174 176.300 0.192 0.000 1.202 48 D CA -0.767 53.428 54.000 0.325 0.000 0.910 48 D CB 1.317 42.296 40.800 0.298 0.000 1.021 48 D HN 0.349 nan 8.370 nan 0.000 0.499 49 P HA 0.062 nan 4.420 nan 0.000 0.268 49 P C 0.144 177.588 177.300 0.239 0.000 1.204 49 P CA -0.053 63.192 63.100 0.242 0.000 0.768 49 P CB 1.604 33.502 31.700 0.331 0.000 0.842 50 K N 3.927 124.366 120.400 0.064 0.000 2.102 50 K HA 0.370 4.691 4.320 0.002 0.000 0.244 50 K C -2.098 174.319 176.600 -0.304 0.000 1.021 50 K CA -1.681 54.580 56.287 -0.044 0.000 0.913 50 K CB -0.417 32.029 32.500 -0.091 0.000 1.062 50 K HN 0.346 nan 8.250 nan 0.000 0.485 51 P HA 0.149 nan 4.420 nan 0.000 0.274 51 P C -2.529 174.581 177.300 -0.316 0.000 1.256 51 P CA -1.217 61.514 63.100 -0.615 0.000 0.795 51 P CB -0.253 31.323 31.700 -0.207 0.000 1.038 52 P HA 0.121 nan 4.420 nan 0.000 0.268 52 P C -0.697 176.404 177.300 -0.332 0.000 1.204 52 P CA 0.651 63.627 63.100 -0.206 0.000 0.768 52 P CB 0.211 31.862 31.700 -0.081 0.000 0.842 53 H N 0.573 119.711 119.070 0.113 0.000 2.524 53 H HA 0.442 5.000 4.556 0.003 0.000 0.353 53 H C -0.283 175.192 175.328 0.246 0.000 1.136 53 H CA -0.256 55.907 56.048 0.191 0.000 1.193 53 H CB 1.651 31.550 29.762 0.228 0.000 1.558 53 H HN 0.227 nan 8.280 nan 0.000 0.515 54 T N 2.936 117.694 114.554 0.341 0.000 2.812 54 T HA 0.170 4.521 4.350 0.002 0.000 0.282 54 T C -0.859 173.871 174.700 0.051 0.000 0.990 54 T CA -0.563 61.627 62.100 0.150 0.000 0.960 54 T CB 0.801 69.654 68.868 -0.025 0.000 0.948 54 T HN 0.375 nan 8.240 nan 0.000 0.438 55 Y N 2.796 123.053 120.300 -0.071 0.000 2.369 55 Y HA 0.451 5.001 4.550 0.001 0.000 0.337 55 Y C 0.008 175.811 175.900 -0.163 0.000 0.961 55 Y CA -0.406 57.539 58.100 -0.259 0.000 1.186 55 Y CB 0.890 39.221 38.460 -0.215 0.000 1.139 55 Y HN 0.539 nan 8.280 nan 0.000 0.494 56 T N 7.493 121.874 114.554 -0.288 0.000 2.779 56 T HA 0.543 4.894 4.350 0.002 0.000 0.280 56 T C -0.510 174.141 174.700 -0.082 0.000 0.987 56 T CA -0.443 61.583 62.100 -0.124 0.000 0.966 56 T CB 0.590 69.375 68.868 -0.139 0.000 0.933 56 T HN 0.441 nan 8.240 nan 0.000 0.442 57 I N 2.863 123.463 120.570 0.050 0.000 2.378 57 I HA 0.305 4.476 4.170 0.002 0.000 0.291 57 I C -0.334 175.729 176.117 -0.091 0.000 0.992 57 I CA -0.760 60.499 61.300 -0.069 0.000 1.154 57 I CB 1.582 39.432 38.000 -0.251 0.000 1.315 57 I HN 0.469 nan 8.210 nan 0.000 0.448 58 D N 6.982 127.295 120.400 -0.146 0.000 2.359 58 D HA 0.295 4.936 4.640 0.002 0.000 0.230 58 D C 0.432 176.449 176.300 -0.472 0.000 1.118 58 D CA -0.238 53.556 54.000 -0.344 0.000 0.844 58 D CB 1.209 41.918 40.800 -0.152 0.000 1.059 58 D HN 0.445 nan 8.370 nan 0.000 0.493 59 M N 2.859 122.080 119.600 -0.631 0.000 2.628 59 M HA -0.008 4.473 4.480 0.002 0.000 0.232 59 M C 0.840 177.026 176.300 -0.189 0.000 1.128 59 M CA -0.077 54.882 55.300 -0.568 0.000 1.040 59 M CB 0.115 32.413 32.600 -0.505 0.000 1.608 59 M HN 0.271 nan 8.290 nan 0.000 0.507 60 K N -1.450 118.793 120.400 -0.263 0.000 3.443 60 K HA -0.182 4.139 4.320 0.002 0.000 0.323 60 K C 0.597 177.117 176.600 -0.133 0.000 0.757 60 K CA 2.052 58.249 56.287 -0.149 0.000 1.417 60 K CB -1.734 30.755 32.500 -0.019 0.000 1.338 60 K HN 0.486 nan 8.250 nan 0.000 0.459 61 T N 0.294 114.781 114.554 -0.112 0.000 2.906 61 T HA 0.441 4.792 4.350 0.002 0.000 0.295 61 T C -0.836 173.815 174.700 -0.083 0.000 1.061 61 T CA -0.085 61.972 62.100 -0.071 0.000 1.000 61 T CB 1.737 70.597 68.868 -0.013 0.000 1.103 61 T HN 0.085 nan 8.240 nan 0.000 0.486 62 T N 4.966 119.484 114.554 -0.060 0.000 2.853 62 T HA 0.291 4.642 4.350 0.002 0.000 0.298 62 T C -0.323 174.363 174.700 -0.023 0.000 0.978 62 T CA -0.174 61.895 62.100 -0.052 0.000 1.152 62 T CB 0.257 69.099 68.868 -0.043 0.000 0.914 62 T HN 0.443 nan 8.240 nan 0.000 0.539 63 Q N 2.440 122.229 119.800 -0.017 0.000 2.413 63 Q HA 0.337 4.678 4.340 0.002 0.000 0.276 63 Q C -0.505 175.506 176.000 0.018 0.000 1.099 63 Q CA -0.952 54.862 55.803 0.019 0.000 0.814 63 Q CB 1.424 30.194 28.738 0.053 0.000 1.379 63 Q HN 0.448 nan 8.270 nan 0.000 0.436 64 N N 1.180 119.905 118.700 0.042 0.000 2.968 64 N HA 0.126 4.867 4.740 0.002 0.000 0.271 64 N C -0.576 174.994 175.510 0.100 0.000 1.174 64 N CA 0.036 53.118 53.050 0.053 0.000 1.096 64 N CB 0.332 38.879 38.487 0.100 0.000 1.403 64 N HN 0.228 nan 8.380 nan 0.000 0.522 65 V N 2.648 122.637 119.914 0.125 0.000 2.521 65 V HA 0.044 4.165 4.120 0.002 0.000 0.286 65 V C 1.192 177.414 176.094 0.212 0.000 1.034 65 V CA -0.254 62.164 62.300 0.197 0.000 1.045 65 V CB 0.624 32.618 31.823 0.286 0.000 0.974 65 V HN 0.609 nan 8.190 nan 0.000 0.480 66 N N 2.786 121.500 118.700 0.023 0.000 2.241 66 N HA 0.375 5.116 4.740 0.002 0.000 0.238 66 N C -0.094 174.944 175.510 -0.786 0.000 1.244 66 N CA 0.423 53.318 53.050 -0.259 0.000 0.880 66 N CB 1.501 39.934 38.487 -0.091 0.000 1.179 66 N HN 0.777 nan 8.380 nan 0.000 0.513 67 G N 0.012 108.385 108.800 -0.711 0.000 2.328 67 G HA2 0.475 4.436 3.960 0.002 0.000 0.295 67 G HA3 0.475 4.436 3.960 0.002 0.000 0.295 67 G C -2.259 172.736 174.900 0.157 0.000 1.413 67 G CA -0.652 44.070 45.100 -0.630 0.000 0.817 67 G HN 0.386 nan 8.290 nan 0.000 0.546 68 L N -1.403 120.024 121.223 0.341 0.000 2.376 68 L HA 0.999 5.340 4.340 0.002 0.000 0.258 68 L C 0.059 177.185 176.870 0.426 0.000 1.013 68 L CA -1.172 53.961 54.840 0.488 0.000 0.822 68 L CB 1.701 44.007 42.059 0.411 0.000 1.388 68 L HN 1.141 nan 8.230 nan 0.000 0.413 69 S N 1.375 117.320 115.700 0.408 0.000 2.566 69 S HA 0.884 5.355 4.470 0.002 0.000 0.298 69 S C -0.590 173.935 174.600 -0.125 0.000 1.083 69 S CA -0.668 57.537 58.200 0.008 0.000 0.978 69 S CB 1.857 65.053 63.200 -0.006 0.000 1.073 69 S HN 0.977 nan 8.310 nan 0.000 0.491 70 M N 3.268 122.613 119.600 -0.425 0.000 2.067 70 M HA 0.443 4.924 4.480 0.002 0.000 0.286 70 M C -2.141 173.885 176.300 -0.456 0.000 0.922 70 M CA -0.987 54.080 55.300 -0.388 0.000 0.937 70 M CB 1.143 33.467 32.600 -0.460 0.000 1.550 70 M HN 0.897 nan 8.290 nan 0.000 0.433 71 L N 9.023 130.085 121.223 -0.269 0.000 2.260 71 L HA 0.592 4.933 4.340 0.002 0.000 0.289 71 L C -2.417 174.366 176.870 -0.146 0.000 1.057 71 L CA -0.996 53.710 54.840 -0.224 0.000 0.811 71 L CB 0.977 42.958 42.059 -0.129 0.000 1.184 71 L HN 0.434 nan 8.230 nan 0.000 0.429 72 P HA 0.136 nan 4.420 nan 0.000 0.272 72 P C -1.189 176.099 177.300 -0.021 0.000 1.240 72 P CA -0.501 62.557 63.100 -0.070 0.000 0.791 72 P CB 0.297 31.910 31.700 -0.144 0.000 0.978 73 R N 1.516 121.986 120.500 -0.050 0.000 2.619 73 R HA -0.028 4.313 4.340 0.002 0.000 0.268 73 R C -0.048 176.227 176.300 -0.042 0.000 0.990 73 R CA 0.299 56.282 56.100 -0.195 0.000 1.092 73 R CB -0.317 29.532 30.300 -0.753 0.000 0.935 73 R HN 0.389 nan 8.270 nan 0.000 0.415 74 Q N 1.792 121.591 119.800 -0.001 0.000 2.165 74 Q HA 0.022 4.363 4.340 0.002 0.000 0.245 74 Q C -0.420 175.603 176.000 0.039 0.000 0.841 74 Q CA 0.081 55.903 55.803 0.033 0.000 1.078 74 Q CB 0.951 29.712 28.738 0.038 0.000 1.169 74 Q HN 0.804 nan 8.270 nan 0.000 0.475 75 D N -1.279 119.129 120.400 0.012 0.000 2.340 75 D HA 0.115 4.756 4.640 0.002 0.000 0.217 75 D C 1.162 177.461 176.300 -0.001 0.000 1.081 75 D CA 0.421 54.434 54.000 0.022 0.000 0.842 75 D CB 0.267 41.100 40.800 0.055 0.000 0.934 75 D HN 0.246 nan 8.370 nan 0.000 0.511 76 G N 0.508 109.314 108.800 0.010 0.000 2.179 76 G HA2 -0.293 3.668 3.960 0.002 0.000 0.260 76 G HA3 -0.293 3.668 3.960 0.002 0.000 0.260 76 G C -0.008 174.863 174.900 -0.048 0.000 0.977 76 G CA 0.049 45.157 45.100 0.014 0.000 0.641 76 G HN 0.570 nan 8.290 nan 0.000 0.533 77 N N 0.692 119.320 118.700 -0.120 0.000 2.421 77 N HA 0.343 5.084 4.740 0.002 0.000 0.285 77 N C 1.519 176.765 175.510 -0.440 0.000 1.027 77 N CA 0.095 52.995 53.050 -0.250 0.000 0.918 77 N CB 1.082 39.410 38.487 -0.264 0.000 1.152 77 N HN 0.559 nan 8.380 nan 0.000 0.485 78 Q N 1.687 121.065 119.800 -0.703 0.000 2.451 78 Q HA 0.102 4.443 4.340 0.002 0.000 0.206 78 Q C -0.565 174.717 176.000 -1.196 0.000 0.947 78 Q CA 0.168 55.020 55.803 -1.585 0.000 0.937 78 Q CB -0.011 27.730 28.738 -1.663 0.000 1.025 78 Q HN 0.315 nan 8.270 nan 0.000 0.511 79 N N 1.613 119.946 118.700 -0.612 0.000 2.434 79 N HA 0.169 4.910 4.740 0.002 0.000 0.268 79 N C 0.557 175.913 175.510 -0.256 0.000 1.256 79 N CA 1.373 54.244 53.050 -0.299 0.000 0.914 79 N CB 0.964 39.256 38.487 -0.324 0.000 1.088 79 N HN 0.534 nan 8.380 nan 0.000 0.478 80 G N 1.224 109.972 108.800 -0.088 0.000 2.159 80 G HA2 -0.222 3.739 3.960 0.002 0.000 0.227 80 G HA3 -0.222 3.739 3.960 0.002 0.000 0.227 80 G C -0.465 174.462 174.900 0.045 0.000 0.986 80 G CA -0.640 44.401 45.100 -0.097 0.000 0.651 80 G HN 0.462 nan 8.290 nan 0.000 0.523 81 W N 1.062 122.330 121.300 -0.054 0.000 2.385 81 W HA 0.450 5.111 4.660 0.001 0.000 0.336 81 W C 1.046 177.597 176.519 0.054 0.000 1.351 81 W CA -0.877 56.455 57.345 -0.022 0.000 1.295 81 W CB -0.301 29.146 29.460 -0.022 0.000 1.239 81 W HN 0.164 nan 8.180 nan 0.000 0.565 82 I N 4.276 125.044 120.570 0.330 0.000 2.471 82 I HA 0.149 4.321 4.170 0.002 0.000 0.286 82 I C 1.307 177.644 176.117 0.367 0.000 1.079 82 I CA 0.435 61.937 61.300 0.336 0.000 1.398 82 I CB 0.493 38.737 38.000 0.405 0.000 1.403 82 I HN 0.549 nan 8.210 nan 0.000 0.530 83 G N 6.341 115.305 108.800 0.272 0.000 2.766 83 G HA2 0.213 4.174 3.960 0.002 0.000 0.206 83 G HA3 0.213 4.174 3.960 0.002 0.000 0.206 83 G C 0.362 175.399 174.900 0.228 0.000 2.072 83 G CA -0.470 44.772 45.100 0.236 0.000 0.798 83 G HN 0.463 nan 8.290 nan 0.000 0.703 84 R N 1.568 122.140 120.500 0.121 0.000 2.570 84 R HA 0.312 4.653 4.340 0.002 0.000 0.277 84 R C -0.246 176.076 176.300 0.038 0.000 1.039 84 R CA 0.345 56.453 56.100 0.014 0.000 1.065 84 R CB 0.203 30.504 30.300 0.001 0.000 0.964 84 R HN 0.786 nan 8.270 nan 0.000 0.428 85 H N -0.167 118.800 119.070 -0.172 0.000 3.014 85 H HA 0.426 4.985 4.556 0.004 0.000 0.337 85 H C -1.276 173.951 175.328 -0.170 0.000 1.320 85 H CA -1.067 54.868 56.048 -0.188 0.000 1.128 85 H CB 1.543 31.067 29.762 -0.397 0.000 1.862 85 H HN 0.540 nan 8.280 nan 0.000 0.536 86 E N 0.778 120.976 120.200 -0.004 0.000 2.340 86 E HA 0.492 4.843 4.350 0.002 0.000 0.273 86 E C -1.176 175.424 176.600 -0.001 0.000 0.891 86 E CA -1.176 55.167 56.400 -0.095 0.000 0.757 86 E CB 3.607 33.238 29.700 -0.116 0.000 1.231 86 E HN 0.298 nan 8.360 nan 0.000 0.439 87 V N 2.859 122.707 119.914 -0.111 0.000 2.417 87 V HA 0.372 4.493 4.120 0.002 0.000 0.291 87 V C -1.204 174.775 176.094 -0.192 0.000 1.024 87 V CA -0.673 61.613 62.300 -0.023 0.000 0.861 87 V CB 0.332 32.186 31.823 0.052 0.000 0.985 87 V HN 0.556 nan 8.190 nan 0.000 0.436 88 Y N 4.399 124.712 120.300 0.021 0.000 2.487 88 Y HA 0.737 5.286 4.550 -0.002 0.000 0.337 88 Y C 0.064 176.127 175.900 0.272 0.000 1.076 88 Y CA -0.865 57.308 58.100 0.121 0.000 1.115 88 Y CB 1.714 40.271 38.460 0.162 0.000 1.235 88 Y HN 0.392 nan 8.280 nan 0.000 0.468 89 L N 1.258 122.736 121.223 0.424 0.000 2.323 89 L HA 0.787 5.128 4.340 0.002 0.000 0.265 89 L C -0.436 176.566 176.870 0.219 0.000 1.012 89 L CA -0.856 54.182 54.840 0.331 0.000 0.820 89 L CB 2.220 44.359 42.059 0.134 0.000 1.334 89 L HN 0.593 nan 8.230 nan 0.000 0.427 90 S N -0.960 114.750 115.700 0.016 0.000 2.535 90 S HA 0.352 4.823 4.470 0.002 0.000 0.272 90 S C 0.037 174.584 174.600 -0.088 0.000 1.149 90 S CA -0.447 57.564 58.200 -0.314 0.000 0.888 90 S CB 1.956 64.386 63.200 -1.283 0.000 1.110 90 S HN 0.587 nan 8.310 nan 0.000 0.463 91 S N 1.898 117.522 115.700 -0.127 0.000 2.486 91 S HA 0.026 4.497 4.470 0.002 0.000 0.220 91 S C 0.858 175.474 174.600 0.027 0.000 1.011 91 S CA 0.918 59.107 58.200 -0.019 0.000 0.921 91 S CB -0.124 63.041 63.200 -0.058 0.000 0.785 91 S HN 0.870 nan 8.310 nan 0.000 0.517 92 D N -0.776 119.482 120.400 -0.235 0.000 2.473 92 D HA 0.301 4.942 4.640 0.002 0.000 0.230 92 D C 1.285 177.074 176.300 -0.851 0.000 1.097 92 D CA 0.783 54.592 54.000 -0.318 0.000 0.861 92 D CB -0.465 40.182 40.800 -0.255 0.000 1.114 92 D HN 0.295 nan 8.370 nan 0.000 0.500 93 G N -0.796 107.143 108.800 -1.435 0.000 2.176 93 G HA2 -0.292 3.669 3.960 0.002 0.000 0.232 93 G HA3 -0.292 3.669 3.960 0.002 0.000 0.232 93 G C 1.065 175.449 174.900 -0.860 0.000 0.986 93 G CA 0.779 44.864 45.100 -1.690 0.000 0.643 93 G HN 0.411 nan 8.290 nan 0.000 0.522 94 T N -0.500 113.601 114.554 -0.756 0.000 3.098 94 T HA 0.181 4.532 4.350 0.002 0.000 0.246 94 T C 0.720 175.203 174.700 -0.362 0.000 0.983 94 T CA 0.618 62.504 62.100 -0.357 0.000 1.094 94 T CB 0.232 68.962 68.868 -0.231 0.000 1.035 94 T HN 0.384 nan 8.240 nan 0.000 0.456 95 N N 0.471 118.884 118.700 -0.477 0.000 2.426 95 N HA 0.269 5.011 4.740 0.002 0.000 0.257 95 N C -0.704 174.544 175.510 -0.436 0.000 1.002 95 N CA -0.411 52.458 53.050 -0.301 0.000 0.942 95 N CB 1.008 39.380 38.487 -0.191 0.000 1.112 95 N HN 0.333 nan 8.380 nan 0.000 0.499 96 W N 2.119 123.381 121.300 -0.063 0.000 2.993 96 W HA 0.307 4.965 4.660 -0.003 0.000 0.290 96 W C 1.523 178.117 176.519 0.125 0.000 1.203 96 W CA 0.205 57.542 57.345 -0.013 0.000 1.582 96 W CB 0.267 29.622 29.460 -0.174 0.000 1.033 96 W HN 0.738 nan 8.180 nan 0.000 0.594 97 G N 0.990 109.942 108.800 0.254 0.000 2.564 97 G HA2 -0.320 3.641 3.960 0.002 0.000 0.273 97 G HA3 -0.320 3.641 3.960 0.002 0.000 0.273 97 G C 0.030 175.122 174.900 0.319 0.000 1.242 97 G CA 0.112 45.341 45.100 0.216 0.000 0.951 97 G HN 0.146 nan 8.290 nan 0.000 0.564 98 S N 1.324 117.145 115.700 0.202 0.000 2.608 98 S HA 0.706 5.177 4.470 0.002 0.000 0.291 98 S C -2.328 172.219 174.600 -0.088 0.000 1.146 98 S CA -0.727 57.544 58.200 0.118 0.000 1.043 98 S CB 1.281 64.517 63.200 0.060 0.000 1.037 98 S HN 0.592 nan 8.310 nan 0.000 0.520 99 P HA 0.033 nan 4.420 nan 0.000 0.265 99 P C 0.789 177.894 177.300 -0.326 0.000 1.193 99 P CA -0.252 62.458 63.100 -0.651 0.000 0.765 99 P CB 0.366 31.693 31.700 -0.622 0.000 0.823 100 V N 0.276 119.969 119.914 -0.368 0.000 3.129 100 V HA 0.393 4.514 4.120 0.002 0.000 0.259 100 V C 0.627 176.528 176.094 -0.321 0.000 1.116 100 V CA 1.078 63.146 62.300 -0.387 0.000 1.127 100 V CB -1.010 30.379 31.823 -0.724 0.000 0.742 100 V HN 0.572 nan 8.190 nan 0.000 0.474 101 A N 0.103 122.761 122.820 -0.269 0.000 2.574 101 A HA 0.856 5.177 4.320 0.002 0.000 0.297 101 A C -0.403 177.095 177.584 -0.143 0.000 1.062 101 A CA 0.233 52.220 52.037 -0.082 0.000 0.686 101 A CB 1.708 20.795 19.000 0.145 0.000 1.285 101 A HN 1.290 nan 8.150 nan 0.000 0.403 102 S N 0.180 115.781 115.700 -0.166 0.000 2.567 102 S HA 0.963 5.434 4.470 0.002 0.000 0.270 102 S C -0.093 174.288 174.600 -0.365 0.000 1.152 102 S CA 0.373 58.390 58.200 -0.305 0.000 0.835 102 S CB 1.041 64.128 63.200 -0.189 0.000 1.115 102 S HN 2.851 nan 8.310 nan 0.000 0.459 103 G N 0.753 109.200 108.800 -0.590 0.000 2.288 103 G HA2 0.412 4.373 3.960 0.002 0.000 0.227 103 G HA3 0.412 4.373 3.960 0.002 0.000 0.227 103 G C -1.294 173.264 174.900 -0.569 0.000 1.339 103 G CA -0.152 44.724 45.100 -0.373 0.000 1.057 103 G HN 1.500 nan 8.290 nan 0.000 0.470 104 S N -0.295 115.291 115.700 -0.190 0.000 2.538 104 S HA 0.677 5.148 4.470 0.002 0.000 0.288 104 S C -1.218 173.523 174.600 0.235 0.000 1.108 104 S CA -0.515 57.700 58.200 0.024 0.000 0.971 104 S CB 1.419 64.676 63.200 0.095 0.000 1.041 104 S HN 0.522 nan 8.310 nan 0.000 0.483 105 W N 2.162 123.654 121.300 0.321 0.000 2.381 105 W HA 0.461 5.125 4.660 0.007 0.000 0.329 105 W C 0.117 176.695 176.519 0.099 0.000 1.157 105 W CA -1.901 55.536 57.345 0.155 0.000 1.240 105 W CB 0.357 29.815 29.460 -0.003 0.000 1.199 105 W HN 0.623 nan 8.180 nan 0.000 0.579 106 F N 1.954 121.990 119.950 0.144 0.000 2.545 106 F HA 0.307 4.835 4.527 0.001 0.000 0.348 106 F C 0.731 176.490 175.800 -0.068 0.000 1.163 106 F CA -0.072 57.935 58.000 0.012 0.000 1.331 106 F CB 0.717 39.656 39.000 -0.101 0.000 1.138 106 F HN 0.340 nan 8.300 nan 0.000 0.602 107 A N 4.942 127.345 122.820 -0.695 0.000 2.805 107 A HA 0.425 4.746 4.320 0.002 0.000 0.301 107 A C -1.016 176.209 177.584 -0.597 0.000 1.557 107 A CA 0.079 51.880 52.037 -0.393 0.000 1.254 107 A CB -1.137 17.768 19.000 -0.158 0.000 1.114 107 A HN 0.753 nan 8.150 nan 0.000 0.553 108 D N -0.926 118.882 120.400 -0.986 0.000 2.779 108 D HA 0.212 4.853 4.640 0.002 0.000 0.331 108 D C 0.362 175.708 176.300 -1.589 0.000 1.331 108 D CA 0.194 53.452 54.000 -1.237 0.000 0.866 108 D CB 0.020 40.682 40.800 -0.229 0.000 1.409 108 D HN 0.172 nan 8.370 nan 0.000 0.486 109 S N -1.651 113.538 115.700 -0.851 0.000 2.605 109 S HA 0.177 4.648 4.470 0.002 0.000 0.217 109 S C 0.787 175.176 174.600 -0.351 0.000 0.958 109 S CA 0.311 58.218 58.200 -0.488 0.000 0.919 109 S CB -1.180 61.992 63.200 -0.046 0.000 0.780 109 S HN 0.808 nan 8.310 nan 0.000 0.507 110 T N 0.741 115.073 114.554 -0.370 0.000 2.898 110 T HA 0.278 4.629 4.350 0.002 0.000 0.301 110 T C 0.178 174.647 174.700 -0.384 0.000 1.049 110 T CA -0.363 61.556 62.100 -0.302 0.000 1.095 110 T CB 0.254 68.955 68.868 -0.278 0.000 0.976 110 T HN 0.182 nan 8.240 nan 0.000 0.539 111 T N 4.283 118.630 114.554 -0.344 0.000 2.908 111 T HA 0.161 4.512 4.350 0.002 0.000 0.301 111 T C 0.356 174.610 174.700 -0.743 0.000 1.019 111 T CA -0.224 61.568 62.100 -0.515 0.000 1.152 111 T CB 0.033 68.635 68.868 -0.443 0.000 0.966 111 T HN 0.477 nan 8.240 nan 0.000 0.540 112 K N 2.420 122.207 120.400 -1.022 0.000 2.166 112 K HA 0.540 4.862 4.320 0.002 0.000 0.245 112 K C -0.935 174.936 176.600 -1.215 0.000 0.967 112 K CA -0.632 54.914 56.287 -1.235 0.000 0.863 112 K CB 1.451 32.674 32.500 -2.128 0.000 1.107 112 K HN 0.555 nan 8.250 nan 0.000 0.436 113 Y N -0.950 119.131 120.300 -0.365 0.000 2.545 113 Y HA 0.333 4.884 4.550 0.001 0.000 0.348 113 Y C -0.063 176.060 175.900 0.372 0.000 1.002 113 Y CA -0.805 57.289 58.100 -0.011 0.000 1.039 113 Y CB 2.473 40.907 38.460 -0.043 0.000 1.271 113 Y HN 0.324 nan 8.280 nan 0.000 0.467 114 S N 2.661 118.677 115.700 0.526 0.000 2.669 114 S HA 0.381 4.852 4.470 0.002 0.000 0.315 114 S C -1.053 173.723 174.600 0.293 0.000 1.106 114 S CA -0.868 57.663 58.200 0.552 0.000 1.107 114 S CB 0.048 63.657 63.200 0.681 0.000 0.990 114 S HN 0.476 nan 8.310 nan 0.000 0.471 115 N N 3.337 122.160 118.700 0.205 0.000 2.421 115 N HA 0.714 5.455 4.740 0.002 0.000 0.285 115 N C -0.798 174.751 175.510 0.067 0.000 1.027 115 N CA -0.251 52.770 53.050 -0.049 0.000 0.918 115 N CB 1.202 39.683 38.487 -0.010 0.000 1.152 115 N HN 0.557 nan 8.380 nan 0.000 0.485 116 F N -1.590 118.411 119.950 0.085 0.000 2.711 116 F HA 0.475 5.005 4.527 0.005 0.000 0.313 116 F C -0.144 175.691 175.800 0.059 0.000 1.141 116 F CA -1.257 56.786 58.000 0.071 0.000 0.941 116 F CB 0.665 39.721 39.000 0.093 0.000 1.349 116 F HN -0.032 nan 8.300 nan 0.000 0.464 117 E N 1.277 121.694 120.200 0.360 0.000 2.414 117 E HA 0.136 4.487 4.350 0.002 0.000 0.263 117 E C -0.267 176.530 176.600 0.329 0.000 1.000 117 E CA 0.065 56.611 56.400 0.243 0.000 0.914 117 E CB 0.641 30.483 29.700 0.237 0.000 0.948 117 E HN 0.661 nan 8.360 nan 0.000 0.444 118 T N 3.835 118.529 114.554 0.233 0.000 2.905 118 T HA 0.025 4.376 4.350 0.002 0.000 0.299 118 T C 0.651 175.544 174.700 0.320 0.000 1.024 118 T CA 0.562 62.827 62.100 0.275 0.000 1.151 118 T CB 0.323 69.359 68.868 0.279 0.000 0.987 118 T HN 0.255 nan 8.240 nan 0.000 0.535 119 R N 3.801 124.414 120.500 0.188 0.000 2.512 119 R HA 0.302 4.643 4.340 0.002 0.000 0.291 119 R C -3.118 173.108 176.300 -0.122 0.000 1.097 119 R CA -2.154 53.938 56.100 -0.013 0.000 0.940 119 R CB 1.602 31.950 30.300 0.080 0.000 1.198 119 R HN 0.325 nan 8.270 nan 0.000 0.429 120 P HA 0.080 nan 4.420 nan 0.000 0.263 120 P C -1.379 175.851 177.300 -0.116 0.000 1.195 120 P CA 0.277 63.228 63.100 -0.249 0.000 0.762 120 P CB 1.120 32.603 31.700 -0.362 0.000 0.799 121 A N 3.411 126.201 122.820 -0.049 0.000 2.574 121 A HA 0.542 4.863 4.320 0.002 0.000 0.297 121 A C 0.611 178.168 177.584 -0.044 0.000 1.062 121 A CA -0.640 51.388 52.037 -0.016 0.000 0.686 121 A CB 1.513 20.542 19.000 0.048 0.000 1.285 121 A HN 0.495 nan 8.150 nan 0.000 0.403 122 R N -0.135 120.325 120.500 -0.065 0.000 2.195 122 R HA 0.218 4.559 4.340 0.002 0.000 0.197 122 R C -0.864 175.189 176.300 -0.411 0.000 0.990 122 R CA 0.675 56.625 56.100 -0.251 0.000 1.048 122 R CB 0.121 30.222 30.300 -0.331 0.000 0.997 122 R HN 0.679 nan 8.270 nan 0.000 0.502 123 Y N 0.104 120.343 120.300 -0.100 0.000 2.409 123 Y HA 0.486 5.037 4.550 0.002 0.000 0.339 123 Y C -0.486 175.509 175.900 0.158 0.000 1.033 123 Y CA -0.979 57.115 58.100 -0.010 0.000 1.094 123 Y CB 2.237 40.662 38.460 -0.059 0.000 1.210 123 Y HN -0.317 nan 8.280 nan 0.000 0.456 124 V N 3.829 123.934 119.914 0.319 0.000 2.531 124 V HA 0.543 4.664 4.120 0.002 0.000 0.301 124 V C -0.656 175.604 176.094 0.277 0.000 1.034 124 V CA -1.114 61.371 62.300 0.308 0.000 0.865 124 V CB 1.875 33.781 31.823 0.138 0.000 0.995 124 V HN 0.747 nan 8.190 nan 0.000 0.424 125 R N 3.898 124.530 120.500 0.219 0.000 2.480 125 R HA 0.718 5.059 4.340 0.002 0.000 0.306 125 R C -1.782 174.592 176.300 0.123 0.000 0.958 125 R CA -0.749 55.338 56.100 -0.022 0.000 0.861 125 R CB 1.702 31.627 30.300 -0.626 0.000 1.171 125 R HN 0.593 nan 8.270 nan 0.000 0.445 126 L N 5.607 126.931 121.223 0.168 0.000 2.280 126 L HA 0.411 4.752 4.340 0.002 0.000 0.287 126 L C -1.390 175.606 176.870 0.210 0.000 1.023 126 L CA -0.464 54.510 54.840 0.223 0.000 0.819 126 L CB 1.845 44.067 42.059 0.271 0.000 1.212 126 L HN 0.391 nan 8.230 nan 0.000 0.420 127 V N 5.082 125.116 119.914 0.199 0.000 2.407 127 V HA 0.679 4.800 4.120 0.002 0.000 0.278 127 V C 0.560 176.777 176.094 0.205 0.000 1.037 127 V CA -0.475 61.931 62.300 0.176 0.000 0.900 127 V CB 1.078 32.994 31.823 0.154 0.000 0.983 127 V HN 0.943 nan 8.190 nan 0.000 0.459 128 A N 5.691 128.655 122.820 0.240 0.000 2.316 128 A HA 0.551 4.872 4.320 0.002 0.000 0.311 128 A C 0.903 178.569 177.584 0.136 0.000 1.339 128 A CA -0.384 51.788 52.037 0.225 0.000 0.960 128 A CB -0.010 19.165 19.000 0.291 0.000 1.152 128 A HN 0.720 nan 8.150 nan 0.000 0.547 129 I N 1.627 122.254 120.570 0.095 0.000 2.480 129 I HA -0.007 4.165 4.170 0.002 0.000 0.251 129 I C 1.373 177.503 176.117 0.022 0.000 1.124 129 I CA 1.741 63.063 61.300 0.036 0.000 1.444 129 I CB -0.982 37.031 38.000 0.021 0.000 1.098 129 I HN 0.717 nan 8.210 nan 0.000 0.428 130 T N -1.997 112.592 114.554 0.058 0.000 2.883 130 T HA 0.387 4.738 4.350 0.002 0.000 0.301 130 T C -0.473 174.288 174.700 0.101 0.000 1.158 130 T CA -0.776 61.356 62.100 0.053 0.000 1.007 130 T CB 3.078 71.970 68.868 0.041 0.000 1.186 130 T HN 0.016 nan 8.240 nan 0.000 0.499 131 E N 0.317 120.566 120.200 0.081 0.000 2.301 131 E HA 0.473 4.824 4.350 0.002 0.000 0.275 131 E C 1.239 177.907 176.600 0.115 0.000 1.030 131 E CA -0.317 56.149 56.400 0.109 0.000 0.852 131 E CB 1.624 31.363 29.700 0.064 0.000 1.060 131 E HN 0.850 nan 8.360 nan 0.000 0.401 132 A N 4.337 127.267 122.820 0.184 0.000 2.076 132 A HA -0.192 4.129 4.320 0.002 0.000 0.220 132 A C 1.246 178.903 177.584 0.121 0.000 1.160 132 A CA 1.720 53.867 52.037 0.184 0.000 0.653 132 A CB -0.262 18.918 19.000 0.301 0.000 0.801 132 A HN 0.708 nan 8.150 nan 0.000 0.455 133 N N -2.167 116.586 118.700 0.089 0.000 2.200 133 N HA 0.372 5.113 4.740 0.002 0.000 0.224 133 N C 0.703 176.215 175.510 0.005 0.000 1.179 133 N CA 0.577 53.648 53.050 0.036 0.000 0.877 133 N CB 0.833 39.324 38.487 0.006 0.000 1.072 133 N HN 0.479 nan 8.380 nan 0.000 0.519 134 G N 0.237 109.038 108.800 0.002 0.000 2.143 134 G HA2 -0.266 3.695 3.960 0.002 0.000 0.249 134 G HA3 -0.266 3.695 3.960 0.002 0.000 0.249 134 G C -0.001 174.844 174.900 -0.092 0.000 0.981 134 G CA -0.122 44.959 45.100 -0.031 0.000 0.665 134 G HN 0.201 nan 8.290 nan 0.000 0.528 135 Q N -0.489 119.240 119.800 -0.119 0.000 2.317 135 Q HA 0.315 4.656 4.340 0.002 0.000 0.229 135 Q C -1.400 174.331 176.000 -0.448 0.000 0.984 135 Q CA -1.295 54.319 55.803 -0.315 0.000 0.911 135 Q CB 0.883 29.493 28.738 -0.213 0.000 1.217 135 Q HN 0.130 nan 8.270 nan 0.000 0.501 136 P HA -0.093 nan 4.420 nan 0.000 0.222 136 P C -0.317 176.770 177.300 -0.354 0.000 1.147 136 P CA 1.128 63.823 63.100 -0.676 0.000 0.790 136 P CB 0.235 31.383 31.700 -0.920 0.000 0.780 137 W N -0.685 120.646 121.300 0.051 0.000 2.436 137 W HA 0.439 5.100 4.660 0.003 0.000 0.347 137 W C -0.106 176.275 176.519 -0.229 0.000 1.136 137 W CA -0.202 57.062 57.345 -0.136 0.000 1.286 137 W CB 0.128 29.476 29.460 -0.187 0.000 1.253 137 W HN -0.360 nan 8.180 nan 0.000 0.617 138 T N 1.728 116.108 114.554 -0.290 0.000 2.841 138 T HA 0.394 4.745 4.350 0.002 0.000 0.285 138 T C -0.390 173.799 174.700 -0.852 0.000 0.991 138 T CA -0.527 61.340 62.100 -0.388 0.000 0.966 138 T CB 1.406 70.158 68.868 -0.193 0.000 0.962 138 T HN 0.339 nan 8.240 nan 0.000 0.438 139 S N 2.885 118.252 115.700 -0.555 0.000 2.538 139 S HA 0.821 5.293 4.470 0.002 0.000 0.288 139 S C -0.885 173.661 174.600 -0.091 0.000 1.108 139 S CA -0.897 57.035 58.200 -0.448 0.000 0.971 139 S CB 1.034 63.986 63.200 -0.412 0.000 1.041 139 S HN 0.625 nan 8.310 nan 0.000 0.483 140 I N 2.297 122.948 120.570 0.136 0.000 2.468 140 I HA 0.443 4.614 4.170 0.002 0.000 0.285 140 I C 0.957 177.235 176.117 0.269 0.000 1.039 140 I CA -1.094 60.331 61.300 0.208 0.000 1.074 140 I CB 1.886 40.049 38.000 0.273 0.000 1.228 140 I HN 0.863 nan 8.210 nan 0.000 0.436 141 A N 4.936 127.864 122.820 0.181 0.000 1.872 141 A HA 0.095 4.416 4.320 0.002 0.000 0.214 141 A C 0.739 178.406 177.584 0.139 0.000 1.187 141 A CA 1.403 53.572 52.037 0.219 0.000 0.614 141 A CB 0.114 19.209 19.000 0.157 0.000 0.826 141 A HN 0.659 nan 8.150 nan 0.000 0.442 142 E N -1.171 119.061 120.200 0.054 0.000 2.290 142 E HA 0.519 4.870 4.350 0.002 0.000 0.274 142 E C -1.711 174.873 176.600 -0.028 0.000 0.889 142 E CA -0.284 56.127 56.400 0.019 0.000 0.760 142 E CB 1.849 31.550 29.700 0.000 0.000 1.206 142 E HN 0.377 nan 8.360 nan 0.000 0.419 143 I N 2.775 123.326 120.570 -0.032 0.000 2.433 143 I HA 0.385 4.556 4.170 0.002 0.000 0.292 143 I C -0.934 175.224 176.117 0.068 0.000 1.001 143 I CA -0.473 60.807 61.300 -0.033 0.000 1.119 143 I CB 0.784 38.663 38.000 -0.200 0.000 1.289 143 I HN 0.249 nan 8.210 nan 0.000 0.438 144 N N 5.701 124.451 118.700 0.084 0.000 2.265 144 N HA 0.568 5.310 4.740 0.002 0.000 0.300 144 N C -1.524 174.012 175.510 0.043 0.000 1.148 144 N CA -0.420 52.634 53.050 0.006 0.000 0.772 144 N CB 2.844 41.215 38.487 -0.193 0.000 1.434 144 N HN 0.238 nan 8.380 nan 0.000 0.481 145 V N 2.070 121.976 119.914 -0.013 0.000 2.656 145 V HA 0.563 4.684 4.120 0.002 0.000 0.307 145 V C -0.930 175.042 176.094 -0.203 0.000 1.051 145 V CA -0.641 61.713 62.300 0.091 0.000 0.893 145 V CB 1.248 33.208 31.823 0.228 0.000 0.999 145 V HN 0.468 nan 8.190 nan 0.000 0.426 146 F N 2.503 122.527 119.950 0.123 0.000 2.538 146 F HA 0.697 5.225 4.527 0.001 0.000 0.325 146 F C 0.281 176.105 175.800 0.040 0.000 1.066 146 F CA -0.590 57.448 58.000 0.063 0.000 0.946 146 F CB 1.965 40.971 39.000 0.011 0.000 1.199 146 F HN 0.548 nan 8.300 nan 0.000 0.473 147 Q N 1.619 121.542 119.800 0.205 0.000 2.394 147 Q HA 0.866 5.207 4.340 0.002 0.000 0.273 147 Q C -1.294 174.766 176.000 0.099 0.000 1.089 147 Q CA -1.381 54.499 55.803 0.128 0.000 0.812 147 Q CB 2.299 31.098 28.738 0.101 0.000 1.353 147 Q HN 0.741 nan 8.270 nan 0.000 0.438 148 A N 1.411 124.274 122.820 0.072 0.000 2.313 148 A HA 0.296 4.617 4.320 0.002 0.000 0.261 148 A C 0.957 178.568 177.584 0.046 0.000 1.090 148 A CA -0.012 52.048 52.037 0.039 0.000 0.807 148 A CB 0.409 19.429 19.000 0.033 0.000 1.055 148 A HN 0.997 nan 8.150 nan 0.000 0.492 149 S N -0.294 115.420 115.700 0.023 0.000 2.555 149 S HA 0.199 4.670 4.470 0.002 0.000 0.230 149 S C 0.569 175.188 174.600 0.032 0.000 0.978 149 S CA 0.625 58.840 58.200 0.025 0.000 0.934 149 S CB -0.866 62.340 63.200 0.011 0.000 0.766 149 S HN 1.881 nan 8.310 nan 0.000 0.533 150 S N -0.861 114.865 115.700 0.043 0.000 2.636 150 S HA 0.598 5.069 4.470 0.002 0.000 0.268 150 S C -1.617 173.058 174.600 0.125 0.000 1.159 150 S CA -1.032 57.207 58.200 0.064 0.000 0.815 150 S CB 0.862 64.076 63.200 0.023 0.000 1.130 150 S HN 0.402 nan 8.310 nan 0.000 0.471 151 Y N 0.793 121.095 120.300 0.004 0.000 2.406 151 Y HA 0.661 5.211 4.550 0.000 0.000 0.340 151 Y C -1.119 174.785 175.900 0.006 0.000 0.975 151 Y CA -0.217 57.888 58.100 0.009 0.000 1.056 151 Y CB 2.196 40.669 38.460 0.023 0.000 1.210 151 Y HN 0.898 nan 8.280 nan 0.000 0.448 152 T N 5.562 119.686 114.554 -0.717 0.000 2.792 152 T HA 0.702 5.053 4.350 0.002 0.000 0.280 152 T C -0.197 173.900 174.700 -1.005 0.000 0.990 152 T CA -0.525 61.191 62.100 -0.641 0.000 0.960 152 T CB 1.178 69.868 68.868 -0.296 0.000 0.939 152 T HN 0.909 nan 8.240 nan 0.000 0.439 153 A N 5.418 127.800 122.820 -0.729 0.000 2.561 153 A HA 0.436 4.757 4.320 0.002 0.000 0.234 153 A C -1.714 175.749 177.584 -0.202 0.000 1.055 153 A CA -0.890 50.946 52.037 -0.335 0.000 0.756 153 A CB -0.557 18.418 19.000 -0.043 0.000 0.986 153 A HN 0.595 nan 8.150 nan 0.000 0.505 154 P HA 0.062 nan 4.420 nan 0.000 0.269 154 P C -0.664 176.602 177.300 -0.057 0.000 1.209 154 P CA 0.046 63.114 63.100 -0.053 0.000 0.776 154 P CB 0.394 32.084 31.700 -0.017 0.000 0.876 155 Q N 2.732 122.509 119.800 -0.038 0.000 2.313 155 Q HA 0.191 4.532 4.340 0.002 0.000 0.266 155 Q C -1.971 173.996 176.000 -0.055 0.000 0.989 155 Q CA -1.513 54.269 55.803 -0.036 0.000 0.890 155 Q CB -0.316 28.415 28.738 -0.012 0.000 1.200 155 Q HN 0.354 nan 8.270 nan 0.000 0.396 156 P HA -0.018 nan 4.420 nan 0.000 0.268 156 P C 0.579 177.837 177.300 -0.069 0.000 1.205 156 P CA 0.637 63.686 63.100 -0.085 0.000 0.771 156 P CB 0.581 32.245 31.700 -0.060 0.000 0.858 157 G N 1.975 110.718 108.800 -0.094 0.000 2.199 157 G HA2 -0.241 3.720 3.960 0.002 0.000 0.254 157 G HA3 -0.241 3.720 3.960 0.002 0.000 0.254 157 G C 0.355 175.225 174.900 -0.049 0.000 0.982 157 G CA -0.033 45.030 45.100 -0.062 0.000 0.632 157 G HN 0.508 nan 8.290 nan 0.000 0.529 158 L N 0.996 122.195 121.223 -0.040 0.000 3.017 158 L HA 0.512 4.853 4.340 0.002 0.000 0.255 158 L C 1.463 178.375 176.870 0.070 0.000 1.247 158 L CA 0.119 54.982 54.840 0.037 0.000 1.038 158 L CB -0.234 41.868 42.059 0.072 0.000 1.380 158 L HN 1.025 nan 8.230 nan 0.000 0.548 159 G N 1.202 109.945 108.800 -0.096 0.000 2.782 159 G HA2 -0.177 3.784 3.960 0.002 0.000 0.228 159 G HA3 -0.177 3.784 3.960 0.002 0.000 0.228 159 G C -0.671 174.028 174.900 -0.334 0.000 1.372 159 G CA -0.814 44.085 45.100 -0.335 0.000 0.862 159 G HN 0.232 nan 8.290 nan 0.000 0.547 160 R N -1.541 118.631 120.500 -0.547 0.000 2.584 160 R HA 0.398 4.739 4.340 0.002 0.000 0.276 160 R C -1.376 174.780 176.300 -0.240 0.000 1.046 160 R CA -0.674 55.288 56.100 -0.230 0.000 0.906 160 R CB 1.383 31.603 30.300 -0.134 0.000 1.215 160 R HN 0.555 nan 8.270 nan 0.000 0.449 161 W N 0.848 122.199 121.300 0.085 0.000 2.417 161 W HA 0.605 5.268 4.660 0.005 0.000 0.317 161 W C 0.679 177.247 176.519 0.081 0.000 1.121 161 W CA 0.380 57.812 57.345 0.145 0.000 1.208 161 W CB 2.074 31.652 29.460 0.197 0.000 1.253 161 W HN 0.853 nan 8.180 nan 0.000 0.533 162 G N 3.657 112.654 108.800 0.328 0.000 2.402 162 G HA2 0.036 3.997 3.960 0.002 0.000 0.666 162 G HA3 0.036 3.997 3.960 0.002 0.000 0.666 162 G C -3.009 171.954 174.900 0.105 0.000 1.402 162 G CA -1.462 43.757 45.100 0.199 0.000 0.920 162 G HN 0.243 nan 8.290 nan 0.000 0.651 163 P HA 0.498 nan 4.420 nan 0.000 0.279 163 P C 0.062 177.386 177.300 0.040 0.000 1.282 163 P CA -0.068 63.057 63.100 0.041 0.000 0.788 163 P CB 0.731 32.424 31.700 -0.012 0.000 1.139 164 T N 0.939 115.522 114.554 0.047 0.000 2.889 164 T HA 0.343 4.694 4.350 0.002 0.000 0.291 164 T C 0.226 174.882 174.700 -0.073 0.000 0.995 164 T CA -0.123 61.995 62.100 0.029 0.000 1.092 164 T CB -0.015 68.954 68.868 0.167 0.000 0.954 164 T HN 0.146 nan 8.240 nan 0.000 0.506 165 I N 3.751 124.217 120.570 -0.174 0.000 2.328 165 I HA 0.265 4.436 4.170 0.002 0.000 0.287 165 I C 0.062 176.137 176.117 -0.070 0.000 1.012 165 I CA -0.974 60.179 61.300 -0.244 0.000 1.195 165 I CB 0.825 38.500 38.000 -0.541 0.000 1.350 165 I HN 0.509 nan 8.210 nan 0.000 0.464 166 D N 7.182 127.577 120.400 -0.009 0.000 2.350 166 D HA 0.512 5.153 4.640 0.002 0.000 0.249 166 D C 0.021 176.408 176.300 0.145 0.000 1.119 166 D CA 0.129 54.214 54.000 0.141 0.000 0.886 166 D CB 1.750 42.666 40.800 0.194 0.000 1.195 166 D HN 0.310 nan 8.370 nan 0.000 0.437 167 L N 2.889 124.288 121.223 0.293 0.000 2.354 167 L HA 0.332 4.673 4.340 0.002 0.000 0.264 167 L C -1.680 175.441 176.870 0.420 0.000 1.008 167 L CA -1.803 53.227 54.840 0.317 0.000 0.819 167 L CB 2.849 45.089 42.059 0.301 0.000 1.339 167 L HN 0.153 nan 8.230 nan 0.000 0.420 168 P HA 0.026 nan 4.420 nan 0.000 0.236 168 P C -0.113 177.479 177.300 0.487 0.000 1.177 168 P CA 0.889 64.264 63.100 0.458 0.000 0.773 168 P CB 0.316 32.285 31.700 0.449 0.000 0.878 169 I N -5.172 115.680 120.570 0.469 0.000 3.145 169 I HA 0.494 4.665 4.170 0.002 0.000 0.313 169 I C -0.764 175.509 176.117 0.260 0.000 1.122 169 I CA -1.764 59.765 61.300 0.381 0.000 0.987 169 I CB 2.454 40.598 38.000 0.241 0.000 1.236 169 I HN -0.502 nan 8.210 nan 0.000 0.453 170 V N 3.821 123.712 119.914 -0.038 0.000 2.389 170 V HA 0.261 4.382 4.120 0.002 0.000 0.264 170 V C -1.967 174.102 176.094 -0.042 0.000 1.049 170 V CA -1.192 61.001 62.300 -0.179 0.000 0.932 170 V CB 0.405 32.030 31.823 -0.330 0.000 1.011 170 V HN 0.599 nan 8.190 nan 0.000 0.475 171 P HA 0.174 nan 4.420 nan 0.000 0.244 171 P C 0.565 177.810 177.300 -0.092 0.000 1.769 171 P CA -0.035 63.068 63.100 0.005 0.000 1.102 171 P CB 0.794 32.559 31.700 0.109 0.000 1.937 172 A N 2.253 124.982 122.820 -0.152 0.000 2.167 172 A HA 0.360 4.681 4.320 0.002 0.000 0.214 172 A C 1.103 178.484 177.584 -0.340 0.000 1.151 172 A CA 0.806 52.709 52.037 -0.225 0.000 0.735 172 A CB -0.051 18.802 19.000 -0.245 0.000 0.802 172 A HN 0.504 nan 8.150 nan 0.000 0.467 173 A N -1.577 120.927 122.820 -0.525 0.000 2.515 173 A HA 0.812 5.133 4.320 0.002 0.000 0.298 173 A C -0.497 176.548 177.584 -0.898 0.000 1.059 173 A CA 0.069 51.595 52.037 -0.851 0.000 0.698 173 A CB 1.158 19.280 19.000 -1.462 0.000 1.289 173 A HN 1.636 nan 8.150 nan 0.000 0.404 174 A N -0.114 122.308 122.820 -0.664 0.000 2.612 174 A HA 1.018 5.339 4.320 0.002 0.000 0.293 174 A C -0.645 176.862 177.584 -0.129 0.000 1.075 174 A CA 0.050 51.900 52.037 -0.312 0.000 0.680 174 A CB 1.011 19.964 19.000 -0.079 0.000 1.279 174 A HN 2.691 nan 8.150 nan 0.000 0.411 175 A N 0.678 123.504 122.820 0.009 0.000 2.594 175 A HA 0.707 5.028 4.320 0.002 0.000 0.295 175 A C -1.146 176.452 177.584 0.024 0.000 1.071 175 A CA -0.517 51.559 52.037 0.064 0.000 0.685 175 A CB 0.755 19.843 19.000 0.145 0.000 1.285 175 A HN 0.853 nan 8.150 nan 0.000 0.405 176 I N 1.259 121.863 120.570 0.058 0.000 2.474 176 I HA 0.194 4.365 4.170 0.002 0.000 0.287 176 I C 0.319 176.394 176.117 -0.070 0.000 1.048 176 I CA 0.021 61.341 61.300 0.033 0.000 1.383 176 I CB 0.765 38.893 38.000 0.213 0.000 1.412 176 I HN 0.708 nan 8.210 nan 0.000 0.531 177 E N 7.740 127.869 120.200 -0.118 0.000 2.001 177 E HA 0.192 4.543 4.350 0.002 0.000 0.279 177 E C -1.798 174.585 176.600 -0.363 0.000 1.045 177 E CA -1.430 54.881 56.400 -0.148 0.000 0.833 177 E CB 0.602 30.284 29.700 -0.029 0.000 1.077 177 E HN 0.361 nan 8.360 nan 0.000 0.397 178 P HA -0.168 nan 4.420 nan 0.000 0.221 178 P C 1.469 178.312 177.300 -0.761 0.000 1.150 178 P CA 1.131 63.510 63.100 -1.202 0.000 0.800 178 P CB 0.178 30.768 31.700 -1.850 0.000 0.787 179 T N -3.734 110.439 114.554 -0.636 0.000 2.985 179 T HA -0.046 4.305 4.350 0.002 0.000 0.266 179 T C 1.791 176.368 174.700 -0.205 0.000 1.076 179 T CA 1.402 63.287 62.100 -0.358 0.000 1.135 179 T CB -0.914 67.790 68.868 -0.275 0.000 0.890 179 T HN 0.166 nan 8.240 nan 0.000 0.480 180 S N -0.108 115.475 115.700 -0.196 0.000 2.502 180 S HA 0.492 4.963 4.470 0.002 0.000 0.215 180 S C 2.005 176.530 174.600 -0.125 0.000 1.009 180 S CA 0.462 58.584 58.200 -0.129 0.000 0.908 180 S CB -0.253 62.889 63.200 -0.097 0.000 0.801 180 S HN 1.159 nan 8.310 nan 0.000 0.505 181 G N 1.734 110.451 108.800 -0.140 0.000 2.179 181 G HA2 -0.270 3.691 3.960 0.002 0.000 0.260 181 G HA3 -0.270 3.691 3.960 0.002 0.000 0.260 181 G C 0.169 174.997 174.900 -0.121 0.000 0.977 181 G CA 0.123 45.169 45.100 -0.090 0.000 0.641 181 G HN 0.594 nan 8.290 nan 0.000 0.533 182 R N -0.507 119.911 120.500 -0.136 0.000 2.560 182 R HA 0.519 4.860 4.340 0.002 0.000 0.270 182 R C 0.039 176.272 176.300 -0.111 0.000 1.074 182 R CA -0.427 55.582 56.100 -0.151 0.000 1.140 182 R CB 1.266 31.498 30.300 -0.114 0.000 1.073 182 R HN 0.075 nan 8.270 nan 0.000 0.527 183 V N 3.695 123.547 119.914 -0.104 0.000 2.350 183 V HA 0.156 4.278 4.120 0.002 0.000 0.276 183 V C -0.332 175.730 176.094 -0.053 0.000 1.028 183 V CA -0.636 61.584 62.300 -0.132 0.000 0.860 183 V CB 1.076 32.663 31.823 -0.393 0.000 0.990 183 V HN 0.426 nan 8.190 nan 0.000 0.453 184 L N 7.200 128.398 121.223 -0.041 0.000 2.292 184 L HA 0.704 5.045 4.340 0.002 0.000 0.284 184 L C -0.296 176.651 176.870 0.129 0.000 1.065 184 L CA 0.420 55.280 54.840 0.033 0.000 0.806 184 L CB 1.073 43.070 42.059 -0.103 0.000 1.175 184 L HN 0.652 nan 8.230 nan 0.000 0.431 185 M N 4.908 124.640 119.600 0.219 0.000 2.572 185 M HA 0.570 5.051 4.480 0.002 0.000 0.299 185 M C -1.626 174.897 176.300 0.373 0.000 1.205 185 M CA -0.324 55.083 55.300 0.179 0.000 0.876 185 M CB 2.146 34.839 32.600 0.155 0.000 1.728 185 M HN 0.725 nan 8.290 nan 0.000 0.458 186 W N -0.061 121.289 121.300 0.084 0.000 3.118 186 W HA 0.817 5.477 4.660 0.000 0.000 0.328 186 W C -0.454 176.100 176.519 0.058 0.000 1.239 186 W CA -0.544 56.837 57.345 0.061 0.000 1.176 186 W CB 0.318 29.788 29.460 0.016 0.000 1.433 186 W HN 0.715 nan 8.180 nan 0.000 0.562 187 S N 0.674 116.554 115.700 0.299 0.000 3.037 187 S HA 0.706 5.177 4.470 0.002 0.000 0.173 187 S C 0.454 175.239 174.600 0.307 0.000 0.681 187 S CA 0.734 59.046 58.200 0.188 0.000 0.807 187 S CB 0.353 63.610 63.200 0.095 0.000 0.789 187 S HN 0.904 nan 8.310 nan 0.000 0.637 188 S N -0.927 114.914 115.700 0.234 0.000 3.319 188 S HA 0.308 4.779 4.470 0.002 0.000 0.310 188 S C 0.033 174.765 174.600 0.221 0.000 1.223 188 S CA 0.158 58.522 58.200 0.272 0.000 1.189 188 S CB -0.650 62.704 63.200 0.256 0.000 1.514 188 S HN 0.672 nan 8.310 nan 0.000 0.554 189 Y N 1.817 122.148 120.300 0.051 0.000 2.439 189 Y HA 0.487 5.038 4.550 0.002 0.000 0.292 189 Y C 0.719 176.634 175.900 0.024 0.000 1.130 189 Y CA 0.556 58.674 58.100 0.030 0.000 1.254 189 Y CB -0.241 38.232 38.460 0.022 0.000 1.000 189 Y HN 0.229 nan 8.280 nan 0.000 0.554 190 R N 1.060 121.260 120.500 -0.500 0.000 2.892 190 R HA 0.185 4.526 4.340 0.002 0.000 0.265 190 R C 0.869 177.033 176.300 -0.227 0.000 1.025 190 R CA -0.167 55.636 56.100 -0.496 0.000 0.982 190 R CB 0.736 30.569 30.300 -0.779 0.000 1.185 190 R HN 0.250 nan 8.270 nan 0.000 0.484 191 N N 0.567 119.124 118.700 -0.240 0.000 2.453 191 N HA -0.166 4.575 4.740 0.002 0.000 0.183 191 N C 0.298 175.773 175.510 -0.058 0.000 1.041 191 N CA 1.506 54.475 53.050 -0.135 0.000 0.900 191 N CB 0.036 38.285 38.487 -0.396 0.000 0.961 191 N HN 0.649 nan 8.380 nan 0.000 0.443 192 D N -1.961 118.356 120.400 -0.138 0.000 2.525 192 D HA 0.367 5.009 4.640 0.002 0.000 0.231 192 D C -0.248 175.950 176.300 -0.170 0.000 1.216 192 D CA -0.335 53.588 54.000 -0.128 0.000 0.813 192 D CB 0.090 40.901 40.800 0.019 0.000 1.108 192 D HN 0.309 nan 8.370 nan 0.000 0.524 193 A N -0.181 122.520 122.820 -0.199 0.000 2.572 193 A HA 0.582 4.903 4.320 0.002 0.000 0.295 193 A C -0.797 176.720 177.584 -0.112 0.000 1.072 193 A CA -0.808 51.097 52.037 -0.220 0.000 0.691 193 A CB 0.689 19.534 19.000 -0.258 0.000 1.291 193 A HN 0.133 nan 8.150 nan 0.000 0.404 194 F N -0.156 119.668 119.950 -0.211 0.000 2.740 194 F HA 0.495 5.023 4.527 0.002 0.000 0.304 194 F C 1.003 176.788 175.800 -0.026 0.000 1.098 194 F CA -0.039 57.829 58.000 -0.219 0.000 1.258 194 F CB -0.294 38.028 39.000 -1.130 0.000 1.061 194 F HN 0.682 nan 8.300 nan 0.000 0.598 195 G N 0.581 108.831 108.800 -0.917 0.000 2.343 195 G HA2 0.378 4.339 3.960 0.002 0.000 0.254 195 G HA3 0.378 4.339 3.960 0.002 0.000 0.254 195 G C 1.004 175.788 174.900 -0.193 0.000 1.277 195 G CA 0.164 44.904 45.100 -0.601 0.000 0.909 195 G HN 1.316 nan 8.290 nan 0.000 0.502 196 G N 0.867 109.556 108.800 -0.185 0.000 2.157 196 G HA2 -0.214 3.747 3.960 0.002 0.000 0.239 196 G HA3 -0.214 3.747 3.960 0.002 0.000 0.239 196 G C 0.768 175.382 174.900 -0.477 0.000 0.982 196 G CA 0.562 45.557 45.100 -0.174 0.000 0.650 196 G HN 1.517 nan 8.290 nan 0.000 0.527 197 S N 1.276 116.480 115.700 -0.827 0.000 2.552 197 S HA 0.412 4.883 4.470 0.002 0.000 0.289 197 S C 0.141 174.391 174.600 -0.584 0.000 1.304 197 S CA 0.093 57.475 58.200 -1.363 0.000 1.063 197 S CB 1.019 63.767 63.200 -0.753 0.000 0.848 197 S HN 0.311 nan 8.310 nan 0.000 0.499 198 P HA 0.244 nan 4.420 nan 0.000 0.255 198 P C 0.692 177.927 177.300 -0.109 0.000 1.248 198 P CA 0.507 63.499 63.100 -0.178 0.000 0.807 198 P CB -0.667 30.980 31.700 -0.089 0.000 1.150 199 G N -0.302 108.425 108.800 -0.121 0.000 2.795 199 G HA2 0.141 4.102 3.960 0.002 0.000 0.664 199 G HA3 0.141 4.102 3.960 0.002 0.000 0.664 199 G C 0.488 175.395 174.900 0.012 0.000 1.381 199 G CA -0.118 44.967 45.100 -0.026 0.000 0.853 199 G HN 0.623 nan 8.290 nan 0.000 0.545 200 G N -1.382 107.442 108.800 0.039 0.000 2.176 200 G HA2 0.070 4.031 3.960 0.002 0.000 0.253 200 G HA3 0.070 4.031 3.960 0.002 0.000 0.253 200 G C 0.472 175.391 174.900 0.031 0.000 0.979 200 G CA 1.312 46.434 45.100 0.037 0.000 0.641 200 G HN 2.401 nan 8.290 nan 0.000 0.530 201 I N 0.026 120.621 120.570 0.043 0.000 2.752 201 I HA 0.683 4.854 4.170 0.002 0.000 0.295 201 I C -1.262 174.866 176.117 0.018 0.000 1.219 201 I CA -0.572 60.743 61.300 0.026 0.000 1.030 201 I CB 2.171 40.217 38.000 0.076 0.000 1.259 201 I HN -0.005 nan 8.210 nan 0.000 0.423 202 T N 7.478 121.986 114.554 -0.077 0.000 2.879 202 T HA 0.485 4.836 4.350 0.002 0.000 0.290 202 T C -0.765 173.903 174.700 -0.054 0.000 0.993 202 T CA -0.410 61.635 62.100 -0.092 0.000 0.975 202 T CB 1.433 70.098 68.868 -0.339 0.000 0.981 202 T HN 0.307 nan 8.240 nan 0.000 0.439 203 L N 4.072 125.329 121.223 0.056 0.000 2.331 203 L HA 0.545 4.886 4.340 0.002 0.000 0.278 203 L C 1.088 178.052 176.870 0.158 0.000 1.106 203 L CA 0.196 55.099 54.840 0.105 0.000 0.824 203 L CB 0.806 42.952 42.059 0.145 0.000 1.142 203 L HN 0.873 nan 8.230 nan 0.000 0.443 204 T N -0.324 114.324 114.554 0.156 0.000 2.930 204 T HA 0.829 5.180 4.350 0.002 0.000 0.290 204 T C -0.369 174.470 174.700 0.232 0.000 1.052 204 T CA -0.781 61.459 62.100 0.234 0.000 1.017 204 T CB 1.870 70.873 68.868 0.225 0.000 1.137 204 T HN 0.462 nan 8.240 nan 0.000 0.511 205 S N 0.049 115.899 115.700 0.250 0.000 2.541 205 S HA 0.717 5.188 4.470 0.002 0.000 0.271 205 S C -1.349 173.377 174.600 0.209 0.000 1.133 205 S CA -0.656 57.681 58.200 0.227 0.000 0.876 205 S CB 1.577 64.924 63.200 0.245 0.000 1.105 205 S HN 0.923 nan 8.310 nan 0.000 0.470 206 S N 2.078 117.891 115.700 0.188 0.000 2.542 206 S HA 0.665 5.136 4.470 0.002 0.000 0.293 206 S C -1.839 172.895 174.600 0.223 0.000 1.089 206 S CA -0.602 57.693 58.200 0.158 0.000 0.961 206 S CB 1.241 64.500 63.200 0.098 0.000 1.062 206 S HN 0.709 nan 8.310 nan 0.000 0.483 207 W N 3.002 124.293 121.300 -0.014 0.000 2.656 207 W HA 0.514 5.176 4.660 0.004 0.000 0.327 207 W C -1.369 175.130 176.519 -0.034 0.000 1.041 207 W CA -0.595 56.747 57.345 -0.004 0.000 1.229 207 W CB 0.963 30.438 29.460 0.025 0.000 1.397 207 W HN 0.496 nan 8.180 nan 0.000 0.479 208 D N 7.682 127.720 120.400 -0.603 0.000 2.373 208 D HA 0.251 4.893 4.640 0.002 0.000 0.227 208 D C -1.597 173.997 176.300 -1.176 0.000 1.091 208 D CA -2.151 51.441 54.000 -0.679 0.000 0.840 208 D CB 2.323 42.924 40.800 -0.333 0.000 1.060 208 D HN 0.114 nan 8.370 nan 0.000 0.502 209 P HA -0.156 nan 4.420 nan 0.000 0.218 209 P C 1.389 178.408 177.300 -0.469 0.000 1.148 209 P CA 1.090 63.488 63.100 -1.170 0.000 0.822 209 P CB 0.229 31.527 31.700 -0.670 0.000 0.784 210 S N -1.279 114.219 115.700 -0.338 0.000 2.371 210 S HA -0.114 4.357 4.470 0.002 0.000 0.224 210 S C 1.921 176.441 174.600 -0.135 0.000 1.029 210 S CA 1.883 59.978 58.200 -0.175 0.000 0.978 210 S CB -1.893 61.227 63.200 -0.134 0.000 0.833 210 S HN 0.301 nan 8.310 nan 0.000 0.466 211 T N -3.345 111.108 114.554 -0.168 0.000 3.014 211 T HA 0.493 4.844 4.350 0.002 0.000 0.250 211 T C 1.683 176.347 174.700 -0.061 0.000 1.060 211 T CA 0.801 62.843 62.100 -0.096 0.000 1.040 211 T CB -0.195 68.622 68.868 -0.086 0.000 0.971 211 T HN 1.226 nan 8.240 nan 0.000 0.497 212 G N 1.654 110.393 108.800 -0.101 0.000 2.189 212 G HA2 -0.231 3.730 3.960 0.002 0.000 0.267 212 G HA3 -0.231 3.730 3.960 0.002 0.000 0.267 212 G C 0.033 175.022 174.900 0.150 0.000 0.975 212 G CA 0.267 45.432 45.100 0.108 0.000 0.644 212 G HN 0.681 nan 8.290 nan 0.000 0.537 213 I N 1.042 121.626 120.570 0.024 0.000 2.416 213 I HA 0.359 4.530 4.170 0.002 0.000 0.288 213 I C 0.620 176.824 176.117 0.145 0.000 1.051 213 I CA -0.624 60.714 61.300 0.063 0.000 1.375 213 I CB 1.518 39.526 38.000 0.014 0.000 1.407 213 I HN -0.116 nan 8.210 nan 0.000 0.516 214 V N 6.566 126.592 119.914 0.187 0.000 2.383 214 V HA 0.339 4.460 4.120 0.002 0.000 0.275 214 V C 0.285 176.465 176.094 0.144 0.000 1.036 214 V CA -0.199 62.233 62.300 0.220 0.000 0.889 214 V CB 1.217 33.164 31.823 0.208 0.000 0.985 214 V HN 0.930 nan 8.190 nan 0.000 0.459 215 S N 3.388 119.174 115.700 0.143 0.000 2.759 215 S HA 0.920 5.391 4.470 0.002 0.000 0.310 215 S C -1.119 173.568 174.600 0.145 0.000 1.123 215 S CA -0.954 57.318 58.200 0.120 0.000 0.959 215 S CB 2.270 65.527 63.200 0.094 0.000 1.172 215 S HN 0.811 nan 8.310 nan 0.000 0.539 216 D N -1.294 119.184 120.400 0.130 0.000 2.596 216 D HA 0.667 5.308 4.640 0.002 0.000 0.234 216 D C -0.851 175.527 176.300 0.129 0.000 1.181 216 D CA -0.746 53.343 54.000 0.148 0.000 0.856 216 D CB 1.246 42.143 40.800 0.160 0.000 1.498 216 D HN 0.750 nan 8.370 nan 0.000 0.446 217 R N 0.014 120.598 120.500 0.139 0.000 2.535 217 R HA 0.544 4.886 4.340 0.002 0.000 0.274 217 R C -1.583 174.770 176.300 0.088 0.000 1.090 217 R CA -0.523 55.648 56.100 0.119 0.000 0.930 217 R CB 1.917 32.310 30.300 0.154 0.000 1.223 217 R HN 0.515 nan 8.270 nan 0.000 0.441 218 T N 3.619 118.210 114.554 0.062 0.000 2.744 218 T HA 0.291 4.642 4.350 0.002 0.000 0.291 218 T C -0.562 174.121 174.700 -0.027 0.000 0.957 218 T CA -0.347 61.769 62.100 0.026 0.000 1.002 218 T CB 1.175 70.073 68.868 0.050 0.000 0.919 218 T HN 0.262 nan 8.240 nan 0.000 0.468 219 V N 4.883 124.718 119.914 -0.131 0.000 2.333 219 V HA 0.334 4.455 4.120 0.002 0.000 0.274 219 V C 1.276 177.269 176.094 -0.169 0.000 1.028 219 V CA -0.400 61.760 62.300 -0.234 0.000 0.851 219 V CB 0.914 32.346 31.823 -0.653 0.000 1.000 219 V HN 1.141 nan 8.190 nan 0.000 0.456 220 T N 0.569 115.076 114.554 -0.078 0.000 2.975 220 T HA 0.011 4.362 4.350 0.002 0.000 0.261 220 T C 1.515 176.209 174.700 -0.011 0.000 0.984 220 T CA 0.707 62.787 62.100 -0.034 0.000 0.911 220 T CB 0.672 69.541 68.868 0.001 0.000 1.127 220 T HN 0.274 nan 8.240 nan 0.000 0.514 221 V N 3.643 123.556 119.914 -0.000 0.000 2.594 221 V HA -0.099 4.022 4.120 0.002 0.000 0.253 221 V C 2.446 178.567 176.094 0.044 0.000 1.069 221 V CA 2.532 64.854 62.300 0.036 0.000 1.082 221 V CB -0.789 31.075 31.823 0.068 0.000 0.680 221 V HN 0.850 nan 8.190 nan 0.000 0.469 222 T N -3.552 111.021 114.554 0.031 0.000 3.107 222 T HA 0.141 4.492 4.350 0.002 0.000 0.249 222 T C 0.858 175.593 174.700 0.058 0.000 1.096 222 T CA 0.159 62.297 62.100 0.064 0.000 1.012 222 T CB -0.334 68.593 68.868 0.099 0.000 0.977 222 T HN 0.571 nan 8.240 nan 0.000 0.527 223 K N 1.000 121.420 120.400 0.035 0.000 3.077 223 K HA -0.239 4.082 4.320 0.002 0.000 0.264 223 K C -0.335 176.307 176.600 0.070 0.000 1.008 223 K CA 0.684 56.991 56.287 0.033 0.000 0.740 223 K CB -2.082 30.429 32.500 0.018 0.000 1.273 223 K HN 0.855 nan 8.250 nan 0.000 0.477 224 H N 0.092 119.118 119.070 -0.074 0.000 2.924 224 H HA 0.141 4.698 4.556 0.002 0.000 0.333 224 H C -1.322 173.946 175.328 -0.100 0.000 0.979 224 H CA -1.025 54.971 56.048 -0.086 0.000 1.326 224 H CB 1.212 30.907 29.762 -0.112 0.000 1.600 224 H HN 0.141 nan 8.280 nan 0.000 0.520 225 D N 5.668 126.164 120.400 0.160 0.000 2.365 225 D HA 0.062 4.703 4.640 0.002 0.000 0.237 225 D C 0.395 176.695 176.300 -0.000 0.000 1.190 225 D CA -0.270 53.769 54.000 0.065 0.000 0.867 225 D CB 0.802 41.681 40.800 0.131 0.000 1.050 225 D HN 0.656 nan 8.370 nan 0.000 0.491 226 M N 3.787 123.224 119.600 -0.271 0.000 2.608 226 M HA 0.111 4.592 4.480 0.002 0.000 0.224 226 M C 0.305 176.696 176.300 0.152 0.000 1.204 226 M CA -0.554 54.513 55.300 -0.390 0.000 0.984 226 M CB -0.061 32.055 32.600 -0.806 0.000 1.691 226 M HN 0.301 nan 8.290 nan 0.000 0.469 227 F N 1.445 121.439 119.950 0.072 0.000 2.563 227 F HA 0.073 4.601 4.527 0.001 0.000 0.363 227 F C 1.289 177.026 175.800 -0.106 0.000 1.123 227 F CA -0.377 57.648 58.000 0.041 0.000 1.307 227 F CB 0.387 39.404 39.000 0.030 0.000 1.115 227 F HN 0.559 nan 8.300 nan 0.000 0.592 228 C N 4.448 122.975 119.300 -1.288 0.000 4.056 228 C HA -0.100 4.361 4.460 0.002 0.000 0.302 228 C C -2.741 171.809 174.990 -0.732 0.000 1.356 228 C CA -0.842 57.344 59.018 -1.386 0.000 2.074 228 C CB -3.196 23.157 27.740 -2.313 0.000 1.328 228 C HN 0.770 nan 8.230 nan 0.000 0.684 229 P HA 0.619 nan 4.420 nan 0.000 0.287 229 P C 0.565 177.824 177.300 -0.068 0.000 1.292 229 P CA 0.795 63.826 63.100 -0.116 0.000 0.879 229 P CB 0.861 32.615 31.700 0.090 0.000 1.214 230 G N 0.352 109.136 108.800 -0.027 0.000 2.442 230 G HA2 0.516 4.477 3.960 0.002 0.000 0.249 230 G HA3 0.516 4.477 3.960 0.002 0.000 0.249 230 G C -0.494 174.481 174.900 0.125 0.000 1.263 230 G CA -0.461 44.658 45.100 0.032 0.000 0.846 230 G HN 0.398 nan 8.290 nan 0.000 0.555 231 I N 0.616 121.271 120.570 0.141 0.000 2.534 231 I HA 0.405 4.576 4.170 0.002 0.000 0.288 231 I C -0.374 175.842 176.117 0.165 0.000 1.077 231 I CA -0.473 60.946 61.300 0.199 0.000 1.051 231 I CB 2.443 40.589 38.000 0.243 0.000 1.234 231 I HN 0.349 nan 8.210 nan 0.000 0.425 232 S N 5.405 121.211 115.700 0.177 0.000 2.536 232 S HA 0.535 5.006 4.470 0.002 0.000 0.271 232 S C -0.795 173.904 174.600 0.163 0.000 1.134 232 S CA -0.582 57.717 58.200 0.164 0.000 0.897 232 S CB 2.127 65.434 63.200 0.179 0.000 1.094 232 S HN 0.598 nan 8.310 nan 0.000 0.473 233 M N 4.222 123.915 119.600 0.154 0.000 2.105 233 M HA 0.336 4.817 4.480 0.002 0.000 0.350 233 M C -0.411 175.978 176.300 0.149 0.000 1.308 233 M CA -0.484 54.910 55.300 0.156 0.000 1.108 233 M CB -0.205 32.494 32.600 0.166 0.000 1.622 233 M HN 0.663 nan 8.290 nan 0.000 0.468 234 D N 3.090 123.579 120.400 0.149 0.000 2.433 234 D HA 0.336 4.977 4.640 0.002 0.000 0.255 234 D C 1.074 177.431 176.300 0.094 0.000 1.226 234 D CA -0.158 53.928 54.000 0.143 0.000 1.015 234 D CB 0.100 41.017 40.800 0.195 0.000 1.091 234 D HN 0.666 nan 8.370 nan 0.000 0.527 235 G N -0.918 107.924 108.800 0.069 0.000 2.534 235 G HA2 -0.210 3.751 3.960 0.002 0.000 0.217 235 G HA3 -0.210 3.751 3.960 0.002 0.000 0.217 235 G C 0.930 175.825 174.900 -0.009 0.000 1.128 235 G CA 0.026 45.145 45.100 0.031 0.000 0.784 235 G HN 0.435 nan 8.290 nan 0.000 0.542 236 N N 0.623 119.327 118.700 0.006 0.000 2.434 236 N HA 0.176 4.917 4.740 0.002 0.000 0.196 236 N C 1.582 177.091 175.510 -0.003 0.000 1.183 236 N CA 0.659 53.705 53.050 -0.008 0.000 0.849 236 N CB 0.045 38.536 38.487 0.006 0.000 0.992 236 N HN 0.324 nan 8.380 nan 0.000 0.460 237 G N 0.239 109.036 108.800 -0.005 0.000 2.179 237 G HA2 -0.294 3.667 3.960 0.002 0.000 0.257 237 G HA3 -0.294 3.667 3.960 0.002 0.000 0.257 237 G C -0.200 174.796 174.900 0.161 0.000 1.010 237 G CA -0.001 45.146 45.100 0.077 0.000 0.736 237 G HN 0.411 nan 8.290 nan 0.000 0.513 238 Q N -0.781 119.075 119.800 0.094 0.000 2.312 238 Q HA 0.618 4.959 4.340 0.002 0.000 0.263 238 Q C 0.234 176.288 176.000 0.090 0.000 0.995 238 Q CA -0.886 54.946 55.803 0.049 0.000 0.853 238 Q CB 1.895 30.649 28.738 0.027 0.000 1.300 238 Q HN 0.412 nan 8.270 nan 0.000 0.448 239 I N 2.370 122.987 120.570 0.079 0.000 2.379 239 I HA 0.128 4.300 4.170 0.002 0.000 0.290 239 I C -0.330 175.848 176.117 0.102 0.000 1.063 239 I CA -0.543 60.829 61.300 0.120 0.000 1.351 239 I CB 0.780 38.871 38.000 0.152 0.000 1.410 239 I HN 0.212 nan 8.210 nan 0.000 0.505 240 V N 7.984 127.969 119.914 0.119 0.000 2.364 240 V HA 0.247 4.368 4.120 0.002 0.000 0.272 240 V C 0.118 176.310 176.094 0.164 0.000 1.036 240 V CA -0.510 61.837 62.300 0.078 0.000 0.880 240 V CB 1.462 33.284 31.823 -0.001 0.000 0.991 240 V HN 0.403 nan 8.190 nan 0.000 0.460 241 V N 4.869 124.901 119.914 0.197 0.000 2.378 241 V HA 0.527 4.648 4.120 0.002 0.000 0.288 241 V C 0.234 176.489 176.094 0.269 0.000 1.016 241 V CA -0.425 62.012 62.300 0.228 0.000 0.840 241 V CB 1.999 33.917 31.823 0.158 0.000 0.994 241 V HN 0.977 nan 8.190 nan 0.000 0.431 242 T N 1.508 116.184 114.554 0.203 0.000 2.792 242 T HA 0.770 5.121 4.350 0.002 0.000 0.280 242 T C 0.561 175.289 174.700 0.047 0.000 0.990 242 T CA 0.160 62.318 62.100 0.097 0.000 0.960 242 T CB 1.475 70.316 68.868 -0.045 0.000 0.939 242 T HN 1.577 nan 8.240 nan 0.000 0.439 243 G N 2.483 111.270 108.800 -0.022 0.000 2.566 243 G HA2 0.235 4.196 3.960 0.002 0.000 0.280 243 G HA3 0.235 4.196 3.960 0.002 0.000 0.280 243 G C 0.587 175.532 174.900 0.076 0.000 1.225 243 G CA 0.685 45.745 45.100 -0.068 0.000 0.966 243 G HN 2.552 nan 8.290 nan 0.000 0.560 244 G N -1.179 107.571 108.800 -0.084 0.000 2.545 244 G HA2 -0.113 3.848 3.960 0.002 0.000 0.240 244 G HA3 -0.113 3.848 3.960 0.002 0.000 0.240 244 G C 0.876 175.767 174.900 -0.015 0.000 1.172 244 G CA 0.838 45.848 45.100 -0.150 0.000 0.949 244 G HN 1.735 nan 8.290 nan 0.000 0.574 245 N N 1.649 120.411 118.700 0.104 0.000 2.149 245 N HA -0.006 4.735 4.740 0.002 0.000 0.188 245 N C 0.439 176.013 175.510 0.106 0.000 1.019 245 N CA 1.659 54.810 53.050 0.170 0.000 0.857 245 N CB -0.117 38.520 38.487 0.249 0.000 0.997 245 N HN 0.508 nan 8.380 nan 0.000 0.426 246 D N -0.135 120.339 120.400 0.124 0.000 2.467 246 D HA 0.239 4.881 4.640 0.002 0.000 0.220 246 D C 0.344 176.611 176.300 -0.056 0.000 1.103 246 D CA -0.126 53.895 54.000 0.034 0.000 0.886 246 D CB 1.228 42.053 40.800 0.041 0.000 1.025 246 D HN 0.102 nan 8.370 nan 0.000 0.514 247 A N 2.714 125.503 122.820 -0.053 0.000 2.121 247 A HA -0.126 4.195 4.320 0.002 0.000 0.218 247 A C 1.784 179.278 177.584 -0.150 0.000 1.154 247 A CA 1.051 53.037 52.037 -0.085 0.000 0.679 247 A CB 0.142 19.113 19.000 -0.050 0.000 0.795 247 A HN 0.287 nan 8.150 nan 0.000 0.458 248 K N -0.482 119.821 120.400 -0.163 0.000 2.353 248 K HA 0.084 4.405 4.320 0.002 0.000 0.195 248 K C -0.236 176.205 176.600 -0.265 0.000 1.031 248 K CA -0.077 56.090 56.287 -0.200 0.000 1.079 248 K CB 0.315 32.738 32.500 -0.128 0.000 0.857 248 K HN 0.151 nan 8.250 nan 0.000 0.535 249 K N 1.583 121.758 120.400 -0.375 0.000 2.237 249 K HA 0.144 4.465 4.320 0.002 0.000 0.270 249 K C -0.101 176.215 176.600 -0.474 0.000 1.015 249 K CA 0.183 56.159 56.287 -0.520 0.000 0.949 249 K CB 1.240 33.207 32.500 -0.888 0.000 0.976 249 K HN -0.158 nan 8.250 nan 0.000 0.472 250 T N 1.033 115.478 114.554 -0.180 0.000 2.812 250 T HA 0.317 4.668 4.350 0.002 0.000 0.282 250 T C -0.396 174.397 174.700 0.154 0.000 0.990 250 T CA -0.642 61.491 62.100 0.054 0.000 0.960 250 T CB 1.115 70.114 68.868 0.219 0.000 0.948 250 T HN 0.307 nan 8.240 nan 0.000 0.438 251 S N 2.926 118.818 115.700 0.319 0.000 2.509 251 S HA 0.638 5.109 4.470 0.002 0.000 0.297 251 S C -0.466 174.322 174.600 0.313 0.000 1.118 251 S CA -0.845 57.561 58.200 0.343 0.000 1.074 251 S CB 0.697 64.107 63.200 0.350 0.000 1.038 251 S HN 0.491 nan 8.310 nan 0.000 0.498 252 L N 3.253 124.644 121.223 0.280 0.000 2.305 252 L HA 0.456 4.797 4.340 0.002 0.000 0.284 252 L C -1.066 175.789 176.870 -0.025 0.000 1.013 252 L CA -0.822 54.091 54.840 0.122 0.000 0.819 252 L CB 0.751 42.847 42.059 0.062 0.000 1.227 252 L HN 0.667 nan 8.230 nan 0.000 0.417 253 Y N 2.574 122.614 120.300 -0.433 0.000 2.341 253 Y HA 0.302 4.852 4.550 0.000 0.000 0.340 253 Y C -0.397 175.231 175.900 -0.454 0.000 0.997 253 Y CA -0.612 56.939 58.100 -0.916 0.000 1.149 253 Y CB 1.283 38.806 38.460 -1.561 0.000 1.171 253 Y HN 0.574 nan 8.280 nan 0.000 0.494 254 D N 3.598 123.298 120.400 -1.167 0.000 2.329 254 D HA 0.164 4.805 4.640 0.002 0.000 0.232 254 D C 0.704 176.358 176.300 -1.078 0.000 1.088 254 D CA -0.041 53.490 54.000 -0.781 0.000 0.835 254 D CB 1.606 42.160 40.800 -0.411 0.000 1.078 254 D HN 0.577 nan 8.370 nan 0.000 0.495 255 S N 2.291 117.591 115.700 -0.666 0.000 2.355 255 S HA -0.153 4.318 4.470 0.002 0.000 0.222 255 S C 1.856 176.296 174.600 -0.266 0.000 1.031 255 S CA 1.483 59.456 58.200 -0.377 0.000 0.993 255 S CB -0.098 62.965 63.200 -0.230 0.000 0.859 255 S HN 0.514 nan 8.310 nan 0.000 0.453 256 S N 1.319 116.899 115.700 -0.199 0.000 2.368 256 S HA -0.128 4.343 4.470 0.002 0.000 0.226 256 S C 2.056 176.581 174.600 -0.126 0.000 1.044 256 S CA 1.868 59.996 58.200 -0.120 0.000 1.062 256 S CB -0.500 62.664 63.200 -0.060 0.000 0.931 256 S HN 0.854 nan 8.310 nan 0.000 0.440 257 S N 0.232 115.831 115.700 -0.170 0.000 2.575 257 S HA 0.154 4.625 4.470 0.002 0.000 0.215 257 S C 0.309 174.823 174.600 -0.143 0.000 0.966 257 S CA 0.595 58.716 58.200 -0.133 0.000 0.911 257 S CB -0.192 62.937 63.200 -0.119 0.000 0.780 257 S HN 0.393 nan 8.310 nan 0.000 0.514 258 D N 1.704 121.971 120.400 -0.221 0.000 2.697 258 D HA -0.164 4.477 4.640 0.002 0.000 0.235 258 D C -0.219 176.020 176.300 -0.101 0.000 1.167 258 D CA 0.996 54.913 54.000 -0.138 0.000 0.656 258 D CB -1.417 39.397 40.800 0.024 0.000 1.025 258 D HN 0.710 nan 8.370 nan 0.000 0.419 259 S N -1.167 114.326 115.700 -0.346 0.000 2.588 259 S HA 0.762 5.234 4.470 0.002 0.000 0.275 259 S C -0.796 173.643 174.600 -0.269 0.000 1.130 259 S CA -1.178 56.942 58.200 -0.134 0.000 0.855 259 S CB 0.978 64.141 63.200 -0.062 0.000 1.116 259 S HN 0.212 nan 8.310 nan 0.000 0.472 260 W N 1.028 122.337 121.300 0.015 0.000 2.478 260 W HA 0.715 5.376 4.660 0.002 0.000 0.318 260 W C -0.464 176.058 176.519 0.004 0.000 1.062 260 W CA -0.700 56.661 57.345 0.027 0.000 1.210 260 W CB 1.090 30.580 29.460 0.051 0.000 1.325 260 W HN 0.538 nan 8.180 nan 0.000 0.496 261 I N 4.721 125.419 120.570 0.213 0.000 2.509 261 I HA 0.336 4.507 4.170 0.002 0.000 0.293 261 I C -2.174 174.040 176.117 0.162 0.000 1.020 261 I CA -2.665 58.718 61.300 0.139 0.000 1.088 261 I CB 1.759 39.799 38.000 0.067 0.000 1.267 261 I HN -0.001 nan 8.210 nan 0.000 0.430 262 P HA 0.065 nan 4.420 nan 0.000 0.265 262 P C -0.034 177.335 177.300 0.115 0.000 1.193 262 P CA 0.110 63.280 63.100 0.118 0.000 0.765 262 P CB 0.580 32.332 31.700 0.087 0.000 0.823 263 G N 3.249 112.120 108.800 0.119 0.000 2.667 263 G HA2 0.630 4.591 3.960 0.002 0.000 0.310 263 G HA3 0.630 4.591 3.960 0.002 0.000 0.310 263 G C -2.729 172.264 174.900 0.155 0.000 1.259 263 G CA -1.650 43.525 45.100 0.125 0.000 1.019 263 G HN 0.299 nan 8.290 nan 0.000 0.496 264 P HA 0.208 nan 4.420 nan 0.000 0.275 264 P C -0.851 176.637 177.300 0.314 0.000 1.228 264 P CA -0.437 62.824 63.100 0.268 0.000 0.786 264 P CB 1.021 32.922 31.700 0.336 0.000 0.927 265 D N 1.782 122.282 120.400 0.167 0.000 2.472 265 D HA 0.059 4.700 4.640 0.002 0.000 0.237 265 D C 0.883 177.189 176.300 0.010 0.000 1.141 265 D CA 0.626 54.650 54.000 0.041 0.000 0.875 265 D CB 0.136 40.934 40.800 -0.003 0.000 1.192 265 D HN 0.270 nan 8.370 nan 0.000 0.450 266 M N 1.827 121.200 119.600 -0.378 0.000 2.207 266 M HA -0.026 4.455 4.480 0.002 0.000 0.311 266 M C 1.514 177.658 176.300 -0.259 0.000 1.127 266 M CA -0.218 54.642 55.300 -0.734 0.000 1.181 266 M CB 0.542 32.569 32.600 -0.956 0.000 1.409 266 M HN 0.256 nan 8.290 nan 0.000 0.461 267 Q N 0.496 120.197 119.800 -0.165 0.000 2.172 267 Q HA 0.080 4.421 4.340 0.002 0.000 0.200 267 Q C -0.103 175.865 176.000 -0.053 0.000 0.964 267 Q CA 0.881 56.662 55.803 -0.036 0.000 0.855 267 Q CB 0.009 28.772 28.738 0.041 0.000 0.918 267 Q HN 0.517 nan 8.270 nan 0.000 0.444 268 V N 0.695 120.540 119.914 -0.116 0.000 2.540 268 V HA 0.536 4.657 4.120 0.002 0.000 0.302 268 V C -0.425 175.596 176.094 -0.121 0.000 1.035 268 V CA -1.222 61.048 62.300 -0.049 0.000 0.873 268 V CB 1.608 33.413 31.823 -0.029 0.000 0.992 268 V HN 0.110 nan 8.190 nan 0.000 0.428 269 A N 5.860 128.657 122.820 -0.038 0.000 2.492 269 A HA 0.656 4.977 4.320 0.002 0.000 0.254 269 A C 0.279 177.785 177.584 -0.130 0.000 1.091 269 A CA 0.115 52.107 52.037 -0.075 0.000 0.768 269 A CB -0.011 18.992 19.000 0.006 0.000 1.028 269 A HN 0.880 nan 8.150 nan 0.000 0.498 270 R N 1.219 121.617 120.500 -0.170 0.000 2.740 270 R HA 0.703 5.044 4.340 0.002 0.000 0.273 270 R C -0.217 175.977 176.300 -0.177 0.000 0.998 270 R CA -0.416 55.567 56.100 -0.195 0.000 0.900 270 R CB 2.623 32.774 30.300 -0.247 0.000 1.223 270 R HN 0.916 nan 8.270 nan 0.000 0.466 271 G N 0.116 108.810 108.800 -0.176 0.000 2.696 271 G HA2 0.455 4.416 3.960 0.002 0.000 0.295 271 G HA3 0.455 4.416 3.960 0.002 0.000 0.295 271 G C -1.038 173.720 174.900 -0.237 0.000 1.398 271 G CA -0.624 44.309 45.100 -0.277 0.000 0.920 271 G HN 0.708 nan 8.290 nan 0.000 0.492 272 Y N -1.471 118.615 120.300 -0.356 0.000 4.604 272 Y HA -0.260 4.291 4.550 0.002 0.000 0.230 272 Y C 1.593 177.239 175.900 -0.424 0.000 1.066 272 Y CA 0.999 58.825 58.100 -0.456 0.000 1.990 272 Y CB -1.887 36.221 38.460 -0.586 0.000 1.619 272 Y HN 0.787 nan 8.280 nan 0.000 0.649 273 Q N 0.755 120.441 119.800 -0.191 0.000 2.312 273 Q HA 0.559 4.900 4.340 0.002 0.000 0.236 273 Q C -0.069 175.883 176.000 -0.079 0.000 0.965 273 Q CA -0.161 55.542 55.803 -0.166 0.000 0.894 273 Q CB 1.796 30.413 28.738 -0.201 0.000 1.225 273 Q HN 0.242 nan 8.270 nan 0.000 0.478 274 S N 1.070 116.736 115.700 -0.057 0.000 2.578 274 S HA 0.518 4.989 4.470 0.002 0.000 0.283 274 S C -0.543 174.040 174.600 -0.030 0.000 1.195 274 S CA -0.527 57.669 58.200 -0.007 0.000 1.050 274 S CB 1.186 64.396 63.200 0.017 0.000 1.012 274 S HN 0.740 nan 8.310 nan 0.000 0.511 275 S N 0.927 116.644 115.700 0.028 0.000 2.566 275 S HA 0.906 5.377 4.470 0.002 0.000 0.298 275 S C -0.858 173.821 174.600 0.132 0.000 1.083 275 S CA -0.947 57.303 58.200 0.084 0.000 0.978 275 S CB 1.795 65.079 63.200 0.140 0.000 1.073 275 S HN 0.930 nan 8.310 nan 0.000 0.491 276 A N 1.623 124.571 122.820 0.215 0.000 2.408 276 A HA 0.698 5.019 4.320 0.002 0.000 0.295 276 A C -0.051 177.688 177.584 0.257 0.000 1.040 276 A CA -0.779 51.387 52.037 0.214 0.000 0.707 276 A CB 0.960 20.096 19.000 0.227 0.000 1.235 276 A HN 0.802 nan 8.150 nan 0.000 0.418 277 T N 3.409 118.092 114.554 0.216 0.000 2.928 277 T HA 0.358 4.709 4.350 0.002 0.000 0.305 277 T C 0.541 175.377 174.700 0.226 0.000 1.035 277 T CA 0.744 62.971 62.100 0.211 0.000 1.145 277 T CB 0.008 68.985 68.868 0.181 0.000 0.963 277 T HN 0.591 nan 8.240 nan 0.000 0.545 278 M N 1.372 121.094 119.600 0.204 0.000 2.792 278 M HA 0.274 4.755 4.480 0.002 0.000 0.294 278 M C 1.917 178.313 176.300 0.160 0.000 1.215 278 M CA -0.737 54.679 55.300 0.193 0.000 0.883 278 M CB 1.158 33.860 32.600 0.169 0.000 1.620 278 M HN 0.707 nan 8.290 nan 0.000 0.511 279 S N -0.530 115.252 115.700 0.136 0.000 2.442 279 S HA -0.141 4.330 4.470 0.002 0.000 0.236 279 S C 0.798 175.440 174.600 0.070 0.000 1.007 279 S CA 1.492 59.749 58.200 0.095 0.000 0.965 279 S CB -0.668 62.561 63.200 0.048 0.000 0.773 279 S HN 0.814 nan 8.310 nan 0.000 0.504 280 D N -0.219 120.221 120.400 0.066 0.000 2.368 280 D HA 0.330 4.971 4.640 0.002 0.000 0.218 280 D C 1.327 177.648 176.300 0.035 0.000 1.112 280 D CA 0.320 54.344 54.000 0.039 0.000 0.834 280 D CB -0.455 40.360 40.800 0.026 0.000 0.953 280 D HN 0.480 nan 8.370 nan 0.000 0.505 281 G N 0.402 109.240 108.800 0.064 0.000 2.212 281 G HA2 -0.355 3.606 3.960 0.002 0.000 0.266 281 G HA3 -0.355 3.606 3.960 0.002 0.000 0.266 281 G C 0.534 175.466 174.900 0.053 0.000 0.978 281 G CA 0.135 45.272 45.100 0.061 0.000 0.632 281 G HN 0.463 nan 8.290 nan 0.000 0.537 282 R N -0.669 119.855 120.500 0.041 0.000 2.652 282 R HA 0.555 4.896 4.340 0.002 0.000 0.271 282 R C -0.145 176.234 176.300 0.131 0.000 1.129 282 R CA -0.076 56.036 56.100 0.020 0.000 1.200 282 R CB 0.917 31.215 30.300 -0.004 0.000 1.146 282 R HN 0.117 nan 8.270 nan 0.000 0.581 283 V N 2.173 122.186 119.914 0.164 0.000 2.487 283 V HA 0.276 4.397 4.120 0.002 0.000 0.298 283 V C -0.876 175.429 176.094 0.352 0.000 1.028 283 V CA -0.659 61.796 62.300 0.259 0.000 0.860 283 V CB 1.361 33.345 31.823 0.268 0.000 0.991 283 V HN 0.492 nan 8.190 nan 0.000 0.427 284 F N 3.722 123.810 119.950 0.230 0.000 2.422 284 F HA 0.784 5.312 4.527 0.001 0.000 0.333 284 F C 0.163 176.094 175.800 0.219 0.000 1.095 284 F CA 0.212 58.356 58.000 0.240 0.000 1.038 284 F CB 1.926 41.027 39.000 0.168 0.000 1.156 284 F HN 0.518 nan 8.300 nan 0.000 0.483 285 T N 6.788 120.946 114.554 -0.660 0.000 2.900 285 T HA 0.684 5.035 4.350 0.002 0.000 0.303 285 T C -1.731 172.398 174.700 -0.951 0.000 1.142 285 T CA -0.529 61.212 62.100 -0.598 0.000 1.007 285 T CB 1.129 69.851 68.868 -0.242 0.000 1.156 285 T HN 0.739 nan 8.240 nan 0.000 0.490 286 I N 1.499 121.691 120.570 -0.630 0.000 3.004 286 I HA 0.625 4.796 4.170 0.002 0.000 0.305 286 I C 0.386 176.309 176.117 -0.322 0.000 1.312 286 I CA 0.540 61.535 61.300 -0.508 0.000 0.992 286 I CB 1.682 39.342 38.000 -0.567 0.000 1.282 286 I HN 1.070 nan 8.210 nan 0.000 0.449 287 G N 3.247 111.890 108.800 -0.261 0.000 2.569 287 G HA2 0.230 4.191 3.960 0.002 0.000 0.259 287 G HA3 0.230 4.191 3.960 0.002 0.000 0.259 287 G C 0.600 175.352 174.900 -0.246 0.000 1.263 287 G CA -0.032 44.931 45.100 -0.227 0.000 0.928 287 G HN 2.391 nan 8.290 nan 0.000 0.572 288 G N -2.960 105.699 108.800 -0.235 0.000 2.414 288 G HA2 0.152 4.113 3.960 0.002 0.000 0.256 288 G HA3 0.152 4.113 3.960 0.002 0.000 0.256 288 G C 0.637 175.403 174.900 -0.223 0.000 1.128 288 G CA 0.842 45.807 45.100 -0.224 0.000 0.944 288 G HN 1.899 nan 8.290 nan 0.000 0.500 289 S N -1.496 114.063 115.700 -0.235 0.000 2.754 289 S HA 0.237 4.708 4.470 0.002 0.000 0.223 289 S C 2.296 176.840 174.600 -0.093 0.000 0.951 289 S CA 1.252 59.331 58.200 -0.202 0.000 0.954 289 S CB -0.455 62.631 63.200 -0.190 0.000 0.780 289 S HN 1.326 nan 8.310 nan 0.000 0.509 290 W N 2.148 123.383 121.300 -0.109 0.000 2.374 290 W HA 0.101 4.762 4.660 0.002 0.000 0.288 290 W C 1.324 178.009 176.519 0.276 0.000 1.218 290 W CA 0.521 57.900 57.345 0.057 0.000 1.245 290 W CB -0.815 nan 29.460 nan 0.000 1.126 290 W HN 0.534 nan 8.180 nan 0.000 0.545 291 S N -3.560 112.211 115.700 0.117 0.000 2.685 291 S HA 0.586 5.057 4.470 0.002 0.000 0.282 291 S C 0.954 175.565 174.600 0.018 0.000 1.159 291 S CA 0.005 58.263 58.200 0.096 0.000 0.833 291 S CB 1.061 64.306 63.200 0.074 0.000 1.151 291 S HN 2.103 nan 8.310 nan 0.000 0.485 292 G N -0.438 108.387 108.800 0.043 0.000 2.179 292 G HA2 0.324 4.285 3.960 0.002 0.000 0.257 292 G HA3 0.324 4.285 3.960 0.002 0.000 0.257 292 G C 1.195 176.177 174.900 0.138 0.000 1.010 292 G CA 0.533 45.668 45.100 0.059 0.000 0.736 292 G HN 2.581 nan 8.290 nan 0.000 0.513 293 G N -3.100 105.769 108.800 0.115 0.000 2.619 293 G HA2 0.297 4.258 3.960 0.002 0.000 0.686 293 G HA3 0.297 4.258 3.960 0.002 0.000 0.686 293 G C -0.585 174.299 174.900 -0.027 0.000 1.256 293 G CA -0.130 45.088 45.100 0.196 0.000 0.826 293 G HN 1.508 nan 8.290 nan 0.000 0.619 294 V N 2.023 121.991 119.914 0.089 0.000 2.350 294 V HA 0.857 4.978 4.120 0.002 0.000 0.285 294 V C 0.163 176.335 176.094 0.130 0.000 1.014 294 V CA 0.487 62.775 62.300 -0.020 0.000 0.831 294 V CB -0.059 31.796 31.823 0.054 0.000 1.000 294 V HN 1.504 nan 8.190 nan 0.000 0.433 295 F N 1.083 121.035 119.950 0.004 0.000 2.900 295 F HA 0.544 5.072 4.527 0.002 0.000 0.321 295 F C -0.494 175.303 175.800 -0.006 0.000 1.160 295 F CA -1.443 56.556 58.000 -0.000 0.000 0.890 295 F CB 1.090 40.088 39.000 -0.002 0.000 1.334 295 F HN 0.225 nan 8.300 nan 0.000 0.459 296 E N 1.555 121.904 120.200 0.248 0.000 2.292 296 E HA 0.143 4.495 4.350 0.002 0.000 0.265 296 E C -1.004 175.668 176.600 0.121 0.000 1.093 296 E CA 0.021 56.491 56.400 0.118 0.000 0.922 296 E CB 0.512 30.285 29.700 0.122 0.000 1.001 296 E HN 0.348 nan 8.360 nan 0.000 0.444 297 K N 4.012 124.365 120.400 -0.079 0.000 2.356 297 K HA 0.223 4.544 4.320 0.002 0.000 0.243 297 K C -0.367 176.188 176.600 -0.074 0.000 1.072 297 K CA -0.559 55.660 56.287 -0.112 0.000 1.014 297 K CB 0.538 32.857 32.500 -0.302 0.000 1.523 297 K HN 0.384 nan 8.250 nan 0.000 0.455 298 N N 0.664 119.368 118.700 0.006 0.000 2.322 298 N HA 0.093 4.834 4.740 0.002 0.000 0.270 298 N C 0.680 176.163 175.510 -0.044 0.000 1.286 298 N CA -0.168 52.897 53.050 0.024 0.000 0.948 298 N CB 0.398 38.946 38.487 0.102 0.000 1.164 298 N HN 0.483 nan 8.380 nan 0.000 0.551 299 G N -0.996 107.811 108.800 0.012 0.000 2.606 299 G HA2 0.381 4.342 3.960 0.002 0.000 0.252 299 G HA3 0.381 4.342 3.960 0.002 0.000 0.252 299 G C -0.305 174.571 174.900 -0.040 0.000 1.206 299 G CA -0.189 44.826 45.100 -0.143 0.000 0.861 299 G HN 0.688 nan 8.290 nan 0.000 0.561 300 E N -2.154 117.968 120.200 -0.130 0.000 2.430 300 E HA 0.584 4.935 4.350 0.002 0.000 0.279 300 E C -1.961 174.847 176.600 0.347 0.000 1.003 300 E CA -1.055 55.438 56.400 0.156 0.000 0.801 300 E CB 2.255 32.041 29.700 0.142 0.000 1.313 300 E HN 0.608 nan 8.360 nan 0.000 0.459 301 V N 1.684 121.893 119.914 0.491 0.000 2.686 301 V HA 0.454 4.575 4.120 0.002 0.000 0.306 301 V C -1.953 174.212 176.094 0.119 0.000 1.065 301 V CA -0.617 61.921 62.300 0.396 0.000 0.894 301 V CB 1.615 33.633 31.823 0.325 0.000 1.004 301 V HN 0.737 nan 8.190 nan 0.000 0.424 302 Y N 5.183 125.172 120.300 -0.519 0.000 2.328 302 Y HA 0.685 5.236 4.550 0.001 0.000 0.337 302 Y C 0.221 175.856 175.900 -0.442 0.000 1.008 302 Y CA -0.074 57.406 58.100 -1.034 0.000 1.129 302 Y CB 1.797 39.154 38.460 -1.838 0.000 1.185 302 Y HN 0.693 nan 8.280 nan 0.000 0.476 303 S N 8.135 123.280 115.700 -0.926 0.000 2.422 303 S HA 0.393 4.864 4.470 0.002 0.000 0.308 303 S C -2.031 171.868 174.600 -1.170 0.000 1.097 303 S CA -1.767 55.970 58.200 -0.771 0.000 1.099 303 S CB 1.052 64.025 63.200 -0.378 0.000 0.976 303 S HN 0.645 nan 8.310 nan 0.000 0.471 304 P HA -0.062 nan 4.420 nan 0.000 0.223 304 P C 1.444 178.578 177.300 -0.275 0.000 1.151 304 P CA 0.825 63.608 63.100 -0.529 0.000 0.787 304 P CB -0.039 31.549 31.700 -0.186 0.000 0.788 305 S N -0.183 115.370 115.700 -0.245 0.000 2.345 305 S HA -0.102 4.369 4.470 0.002 0.000 0.219 305 S C 2.056 176.579 174.600 -0.128 0.000 1.031 305 S CA 1.472 59.586 58.200 -0.143 0.000 0.984 305 S CB -1.565 61.570 63.200 -0.108 0.000 0.874 305 S HN 0.252 nan 8.310 nan 0.000 0.451 306 S N 0.729 116.335 115.700 -0.157 0.000 2.528 306 S HA 0.220 4.691 4.470 0.002 0.000 0.219 306 S C 0.327 174.868 174.600 -0.099 0.000 0.985 306 S CA -0.044 58.092 58.200 -0.107 0.000 0.914 306 S CB -0.474 62.673 63.200 -0.088 0.000 0.776 306 S HN 0.306 nan 8.310 nan 0.000 0.526 307 K N 2.002 122.299 120.400 -0.171 0.000 3.150 307 K HA -0.114 4.207 4.320 0.002 0.000 0.267 307 K C -0.072 176.531 176.600 0.005 0.000 1.028 307 K CA 1.294 57.543 56.287 -0.064 0.000 0.753 307 K CB -2.933 29.588 32.500 0.036 0.000 1.288 307 K HN 0.886 nan 8.250 nan 0.000 0.473 308 T N -3.616 110.876 114.554 -0.103 0.000 2.906 308 T HA 0.681 5.032 4.350 0.002 0.000 0.295 308 T C -0.470 174.215 174.700 -0.025 0.000 1.061 308 T CA -0.894 61.214 62.100 0.012 0.000 1.000 308 T CB 1.581 70.457 68.868 0.014 0.000 1.103 308 T HN 0.261 nan 8.240 nan 0.000 0.486 309 W N 1.213 122.613 121.300 0.168 0.000 2.433 309 W HA 0.563 5.224 4.660 0.001 0.000 0.315 309 W C -0.119 176.457 176.519 0.095 0.000 1.087 309 W CA -0.420 57.017 57.345 0.153 0.000 1.205 309 W CB 2.028 31.560 29.460 0.120 0.000 1.288 309 W HN 0.658 nan 8.180 nan 0.000 0.504 310 T N 2.390 117.146 114.554 0.337 0.000 2.812 310 T HA 0.224 4.575 4.350 0.002 0.000 0.282 310 T C -0.181 174.661 174.700 0.237 0.000 0.990 310 T CA -0.664 61.571 62.100 0.225 0.000 0.960 310 T CB 1.494 70.452 68.868 0.150 0.000 0.948 310 T HN 0.299 nan 8.240 nan 0.000 0.438 311 S N 2.721 118.529 115.700 0.180 0.000 2.562 311 S HA 0.341 4.812 4.470 0.002 0.000 0.281 311 S C -0.046 174.652 174.600 0.164 0.000 1.333 311 S CA -0.498 57.793 58.200 0.152 0.000 1.052 311 S CB -0.128 63.138 63.200 0.110 0.000 0.884 311 S HN 0.574 nan 8.310 nan 0.000 0.506 312 L N 6.987 128.317 121.223 0.179 0.000 2.581 312 L HA 0.333 4.674 4.340 0.002 0.000 0.241 312 L C -1.632 175.353 176.870 0.192 0.000 1.265 312 L CA -1.522 53.446 54.840 0.214 0.000 0.954 312 L CB 1.383 43.636 42.059 0.323 0.000 1.269 312 L HN 0.552 nan 8.230 nan 0.000 0.475 313 P HA -0.102 nan 4.420 nan 0.000 0.225 313 P C 0.584 177.971 177.300 0.146 0.000 1.148 313 P CA 1.113 64.291 63.100 0.130 0.000 0.779 313 P CB 0.327 32.087 31.700 0.101 0.000 0.780 314 N N -0.177 118.620 118.700 0.163 0.000 2.353 314 N HA 0.070 4.811 4.740 0.002 0.000 0.185 314 N C 0.704 176.351 175.510 0.229 0.000 1.098 314 N CA 0.120 53.269 53.050 0.164 0.000 0.872 314 N CB -0.103 38.462 38.487 0.130 0.000 0.970 314 N HN 0.054 nan 8.380 nan 0.000 0.467 315 A N 1.881 124.884 122.820 0.305 0.000 2.906 315 A HA 0.102 4.424 4.320 0.002 0.000 0.289 315 A C 0.224 178.073 177.584 0.442 0.000 1.675 315 A CA -0.174 52.149 52.037 0.477 0.000 1.372 315 A CB -0.197 19.164 19.000 0.601 0.000 1.091 315 A HN -0.126 nan 8.150 nan 0.000 0.579 316 K N 1.725 122.360 120.400 0.392 0.000 2.322 316 K HA 0.094 4.415 4.320 0.002 0.000 0.283 316 K C 1.113 177.910 176.600 0.328 0.000 1.042 316 K CA -0.247 56.204 56.287 0.273 0.000 0.958 316 K CB 1.788 34.397 32.500 0.182 0.000 0.984 316 K HN 0.308 nan 8.250 nan 0.000 0.473 317 V N 3.465 123.488 119.914 0.182 0.000 2.667 317 V HA -0.232 3.889 4.120 0.002 0.000 0.252 317 V C 1.491 177.647 176.094 0.104 0.000 1.065 317 V CA 1.612 63.982 62.300 0.117 0.000 1.083 317 V CB -0.320 31.503 31.823 -0.000 0.000 0.692 317 V HN 0.651 nan 8.190 nan 0.000 0.468 318 N N 0.778 119.532 118.700 0.090 0.000 2.061 318 N HA -0.121 4.620 4.740 0.002 0.000 0.193 318 N C -0.660 174.877 175.510 0.045 0.000 1.030 318 N CA 2.281 55.364 53.050 0.054 0.000 0.856 318 N CB -1.455 37.063 38.487 0.051 0.000 1.023 318 N HN 0.434 nan 8.380 nan 0.000 0.424 319 P HA -0.099 nan 4.420 nan 0.000 0.221 319 P C 1.079 178.380 177.300 0.001 0.000 1.145 319 P CA 1.158 64.272 63.100 0.024 0.000 0.795 319 P CB -0.107 31.599 31.700 0.010 0.000 0.775 320 M N -3.689 115.936 119.600 0.040 0.000 2.383 320 M HA 0.188 4.669 4.480 0.002 0.000 0.247 320 M C 0.017 176.276 176.300 -0.070 0.000 1.117 320 M CA 0.269 55.558 55.300 -0.018 0.000 0.995 320 M CB -0.343 32.288 32.600 0.051 0.000 1.480 320 M HN -0.281 nan 8.290 nan 0.000 0.485 321 L N 3.074 124.268 121.223 -0.048 0.000 2.455 321 L HA 0.193 4.534 4.340 0.002 0.000 0.272 321 L C 0.982 177.804 176.870 -0.080 0.000 1.174 321 L CA -0.246 54.556 54.840 -0.064 0.000 0.869 321 L CB 0.517 42.553 42.059 -0.039 0.000 1.130 321 L HN 0.430 nan 8.230 nan 0.000 0.474 322 T N -0.167 114.331 114.554 -0.092 0.000 2.754 322 T HA 0.347 4.698 4.350 0.002 0.000 0.286 322 T C 0.729 175.397 174.700 -0.054 0.000 0.997 322 T CA -0.290 61.758 62.100 -0.087 0.000 0.982 322 T CB 1.229 70.042 68.868 -0.091 0.000 1.027 322 T HN 0.650 nan 8.240 nan 0.000 0.529 323 A N 0.251 123.045 122.820 -0.045 0.000 2.579 323 A HA 0.216 4.537 4.320 0.002 0.000 0.273 323 A C 0.666 178.241 177.584 -0.016 0.000 1.363 323 A CA -0.489 51.532 52.037 -0.027 0.000 0.953 323 A CB -0.961 18.024 19.000 -0.025 0.000 1.034 323 A HN 0.902 nan 8.150 nan 0.000 0.536 324 D N 0.692 121.083 120.400 -0.014 0.000 2.533 324 D HA -0.029 4.612 4.640 0.002 0.000 0.236 324 D C 0.857 177.164 176.300 0.011 0.000 1.137 324 D CA 0.491 54.493 54.000 0.004 0.000 0.867 324 D CB 0.688 41.496 40.800 0.014 0.000 1.170 324 D HN 0.334 nan 8.370 nan 0.000 0.474 325 K N 2.223 122.633 120.400 0.017 0.000 2.113 325 K HA -0.205 4.116 4.320 0.002 0.000 0.208 325 K C 1.818 178.432 176.600 0.023 0.000 1.047 325 K CA 1.260 57.557 56.287 0.016 0.000 0.928 325 K CB 0.096 32.606 32.500 0.017 0.000 0.716 325 K HN 0.534 nan 8.250 nan 0.000 0.446 326 Q N -0.291 119.533 119.800 0.040 0.000 2.472 326 Q HA 0.032 4.373 4.340 0.002 0.000 0.208 326 Q C 0.814 176.851 176.000 0.061 0.000 0.958 326 Q CA 0.329 56.167 55.803 0.059 0.000 0.932 326 Q CB 0.354 29.158 28.738 0.111 0.000 1.007 326 Q HN 0.441 nan 8.270 nan 0.000 0.508 327 G N 0.855 109.677 108.800 0.036 0.000 2.553 327 G HA2 -0.332 3.630 3.960 0.002 0.000 0.242 327 G HA3 -0.332 3.630 3.960 0.002 0.000 0.242 327 G C 0.167 175.082 174.900 0.025 0.000 1.277 327 G CA -0.137 44.978 45.100 0.026 0.000 0.910 327 G HN 0.223 nan 8.290 nan 0.000 0.576 328 L N -0.301 120.934 121.223 0.020 0.000 2.265 328 L HA 0.062 4.403 4.340 0.002 0.000 0.215 328 L C 2.479 179.340 176.870 -0.016 0.000 1.117 328 L CA 2.742 57.575 54.840 -0.011 0.000 0.782 328 L CB -1.006 41.044 42.059 -0.015 0.000 0.914 328 L HN 0.724 nan 8.230 nan 0.000 0.441 329 Y N 0.219 120.457 120.300 -0.103 0.000 2.139 329 Y HA -0.304 4.247 4.550 0.002 0.000 0.282 329 Y C 2.253 178.037 175.900 -0.193 0.000 1.179 329 Y CA 2.003 60.022 58.100 -0.135 0.000 1.161 329 Y CB 0.006 38.394 38.460 -0.120 0.000 0.970 329 Y HN 0.152 nan 8.280 nan 0.000 0.511 330 R N -1.014 119.330 120.500 -0.260 0.000 2.250 330 R HA 0.109 4.450 4.340 0.002 0.000 0.194 330 R C 2.400 178.610 176.300 -0.150 0.000 0.927 330 R CA 0.957 56.866 56.100 -0.318 0.000 1.052 330 R CB -0.948 29.265 30.300 -0.145 0.000 1.055 330 R HN 0.458 nan 8.270 nan 0.000 0.537 331 S N 1.779 117.419 115.700 -0.099 0.000 2.447 331 S HA -0.120 4.351 4.470 0.002 0.000 0.233 331 S C 1.039 175.576 174.600 -0.105 0.000 1.006 331 S CA 1.382 59.537 58.200 -0.075 0.000 0.957 331 S CB -0.190 62.978 63.200 -0.053 0.000 0.773 331 S HN 0.312 nan 8.310 nan 0.000 0.507 332 D N 0.265 120.582 120.400 -0.139 0.000 2.424 332 D HA 0.186 4.827 4.640 0.002 0.000 0.220 332 D C -0.394 175.791 176.300 -0.190 0.000 1.150 332 D CA -0.575 53.333 54.000 -0.153 0.000 0.831 332 D CB -0.692 40.016 40.800 -0.154 0.000 0.981 332 D HN 0.148 nan 8.370 nan 0.000 0.500 333 N N 1.066 119.636 118.700 -0.215 0.000 2.513 333 N HA 0.098 4.839 4.740 0.002 0.000 0.274 333 N C 0.087 175.483 175.510 -0.189 0.000 1.189 333 N CA -0.125 52.726 53.050 -0.331 0.000 0.975 333 N CB 0.111 38.318 38.487 -0.466 0.000 1.157 333 N HN 0.071 nan 8.380 nan 0.000 0.465 334 H N -2.036 117.053 119.070 0.031 0.000 2.626 334 H HA -0.179 4.378 4.556 0.002 0.000 0.317 334 H C -0.104 175.262 175.328 0.063 0.000 1.140 334 H CA 0.508 56.596 56.048 0.067 0.000 1.134 334 H CB -2.001 27.841 29.762 0.134 0.000 1.486 334 H HN 0.641 nan 8.280 nan 0.000 0.417 335 A N 0.119 122.968 122.820 0.049 0.000 2.561 335 A HA 0.075 4.396 4.320 0.002 0.000 0.234 335 A C 0.387 178.055 177.584 0.139 0.000 1.055 335 A CA 0.006 52.032 52.037 -0.020 0.000 0.756 335 A CB 0.165 19.122 19.000 -0.072 0.000 0.986 335 A HN 0.403 nan 8.150 nan 0.000 0.505 336 W N 3.596 124.828 121.300 -0.113 0.000 1.836 336 W HA 0.395 5.058 4.660 0.003 0.000 0.449 336 W C -0.403 175.956 176.519 -0.266 0.000 0.787 336 W CA -0.613 56.628 57.345 -0.174 0.000 1.729 336 W CB -1.026 28.413 29.460 -0.036 0.000 1.802 336 W HN 0.350 nan 8.180 nan 0.000 0.257 337 L N 2.487 123.607 121.223 -0.171 0.000 2.334 337 L HA 0.556 4.897 4.340 0.002 0.000 0.277 337 L C -0.528 176.082 176.870 -0.433 0.000 1.075 337 L CA -0.610 54.150 54.840 -0.132 0.000 0.804 337 L CB 0.672 42.743 42.059 0.020 0.000 1.174 337 L HN -0.086 nan 8.230 nan 0.000 0.438 338 F N 0.076 120.148 119.950 0.203 0.000 2.562 338 F HA 0.406 4.933 4.527 0.001 0.000 0.319 338 F C 0.794 176.773 175.800 0.299 0.000 1.154 338 F CA -0.741 57.397 58.000 0.229 0.000 0.931 338 F CB 1.697 40.810 39.000 0.188 0.000 1.198 338 F HN 0.461 nan 8.300 nan 0.000 0.444 339 G N 2.753 111.820 108.800 0.446 0.000 2.353 339 G HA2 0.114 4.075 3.960 0.002 0.000 0.239 339 G HA3 0.114 4.075 3.960 0.002 0.000 0.239 339 G C -0.770 174.497 174.900 0.612 0.000 1.295 339 G CA -0.092 45.266 45.100 0.431 0.000 0.884 339 G HN 0.752 nan 8.290 nan 0.000 0.537 340 W N 1.352 122.804 121.300 0.254 0.000 3.483 340 W HA 0.431 5.091 4.660 0.001 0.000 0.378 340 W C -0.351 176.269 176.519 0.167 0.000 1.097 340 W CA -0.901 56.592 57.345 0.247 0.000 1.075 340 W CB 1.118 30.805 29.460 0.379 0.000 1.534 340 W HN 0.344 nan 8.180 nan 0.000 0.610 341 K N 2.036 122.231 120.400 -0.342 0.000 2.382 341 K HA 0.048 4.369 4.320 0.002 0.000 0.275 341 K C -0.181 176.377 176.600 -0.071 0.000 1.009 341 K CA 0.428 56.514 56.287 -0.335 0.000 0.970 341 K CB 0.292 32.486 32.500 -0.510 0.000 0.934 341 K HN 0.293 nan 8.250 nan 0.000 0.479 342 K N 0.895 121.263 120.400 -0.052 0.000 3.150 342 K HA -0.256 4.065 4.320 0.002 0.000 0.267 342 K C 0.559 177.195 176.600 0.061 0.000 1.028 342 K CA 0.400 56.689 56.287 0.003 0.000 0.753 342 K CB -1.942 30.557 32.500 -0.002 0.000 1.288 342 K HN 1.177 nan 8.250 nan 0.000 0.473 343 G N -0.449 108.395 108.800 0.073 0.000 2.184 343 G HA2 -0.397 3.564 3.960 0.002 0.000 0.264 343 G HA3 -0.397 3.564 3.960 0.002 0.000 0.264 343 G C 0.169 175.129 174.900 0.100 0.000 0.975 343 G CA 0.608 45.765 45.100 0.095 0.000 0.642 343 G HN 0.964 nan 8.290 nan 0.000 0.536 344 S N -1.121 114.657 115.700 0.129 0.000 2.603 344 S HA 0.709 5.180 4.470 0.002 0.000 0.268 344 S C -0.042 174.689 174.600 0.218 0.000 1.317 344 S CA -0.034 58.240 58.200 0.123 0.000 1.012 344 S CB 2.529 65.828 63.200 0.167 0.000 0.926 344 S HN 1.119 nan 8.310 nan 0.000 0.539 345 V N 2.474 122.483 119.914 0.157 0.000 2.577 345 V HA 0.458 4.580 4.120 0.002 0.000 0.303 345 V C -0.915 175.352 176.094 0.289 0.000 1.042 345 V CA -0.743 61.687 62.300 0.216 0.000 0.872 345 V CB 1.360 33.157 31.823 -0.043 0.000 0.998 345 V HN 0.895 nan 8.190 nan 0.000 0.423 346 F N 4.270 124.289 119.950 0.115 0.000 2.404 346 F HA 0.486 5.014 4.527 0.001 0.000 0.345 346 F C 0.254 176.044 175.800 -0.017 0.000 1.110 346 F CA -0.043 57.801 58.000 -0.260 0.000 1.130 346 F CB 1.269 39.928 39.000 -0.568 0.000 1.129 346 F HN 0.520 nan 8.300 nan 0.000 0.500 347 Q N 5.845 125.146 119.800 -0.831 0.000 2.394 347 Q HA 0.440 4.781 4.340 0.002 0.000 0.259 347 Q C -0.499 174.942 176.000 -0.932 0.000 1.021 347 Q CA -0.241 55.250 55.803 -0.520 0.000 0.805 347 Q CB 1.614 30.285 28.738 -0.112 0.000 1.226 347 Q HN 0.940 nan 8.270 nan 0.000 0.476 348 A N 2.843 125.405 122.820 -0.431 0.000 2.218 348 A HA 0.508 4.829 4.320 0.002 0.000 0.209 348 A C 0.773 178.286 177.584 -0.118 0.000 1.168 348 A CA 0.945 52.918 52.037 -0.107 0.000 0.804 348 A CB 0.218 19.585 19.000 0.611 0.000 0.834 348 A HN 0.872 nan 8.150 nan 0.000 0.482 349 G N -1.545 106.940 108.800 -0.525 0.000 2.351 349 G HA2 0.253 4.214 3.960 0.002 0.000 0.279 349 G HA3 0.253 4.214 3.960 0.002 0.000 0.279 349 G C -2.614 171.416 174.900 -1.449 0.000 1.297 349 G CA 0.111 44.459 45.100 -1.253 0.000 0.886 349 G HN -0.172 nan 8.290 nan 0.000 0.493 350 P HA 0.045 nan 4.420 nan 0.000 0.226 350 P C 1.219 178.057 177.300 -0.770 0.000 1.153 350 P CA 1.329 63.565 63.100 -1.440 0.000 0.777 350 P CB -0.198 31.164 31.700 -0.563 0.000 0.794 351 S N -0.911 114.468 115.700 -0.535 0.000 2.573 351 S HA 0.044 4.515 4.470 0.002 0.000 0.277 351 S C 1.385 175.798 174.600 -0.313 0.000 1.346 351 S CA -0.022 57.986 58.200 -0.321 0.000 1.034 351 S CB -0.198 62.863 63.200 -0.231 0.000 0.879 351 S HN 0.004 nan 8.310 nan 0.000 0.528 352 T N 1.990 116.424 114.554 -0.201 0.000 2.665 352 T HA -0.064 4.287 4.350 0.002 0.000 0.268 352 T C 1.029 175.636 174.700 -0.155 0.000 1.035 352 T CA 1.608 63.614 62.100 -0.155 0.000 1.151 352 T CB -0.719 68.092 68.868 -0.095 0.000 0.862 352 T HN 1.000 nan 8.240 nan 0.000 0.438 353 A N 1.840 124.573 122.820 -0.145 0.000 2.454 353 A HA 0.549 4.870 4.320 0.002 0.000 0.260 353 A C 0.182 177.651 177.584 -0.191 0.000 1.106 353 A CA -0.174 51.785 52.037 -0.129 0.000 0.780 353 A CB -0.161 18.781 19.000 -0.097 0.000 1.044 353 A HN 0.422 nan 8.150 nan 0.000 0.498 354 M N 2.777 122.262 119.600 -0.192 0.000 2.409 354 M HA 0.366 4.847 4.480 0.002 0.000 0.329 354 M C -0.197 175.899 176.300 -0.340 0.000 1.180 354 M CA -0.241 54.863 55.300 -0.327 0.000 1.053 354 M CB 1.175 33.619 32.600 -0.261 0.000 1.586 354 M HN 0.710 nan 8.290 nan 0.000 0.461 355 N N 0.745 119.117 118.700 -0.547 0.000 2.277 355 N HA 0.371 5.112 4.740 0.002 0.000 0.286 355 N C -2.101 173.035 175.510 -0.623 0.000 1.140 355 N CA -0.503 52.274 53.050 -0.456 0.000 0.799 355 N CB 1.893 40.137 38.487 -0.405 0.000 1.596 355 N HN 0.588 nan 8.380 nan 0.000 0.473 356 W N 1.150 122.284 121.300 -0.277 0.000 2.390 356 W HA 0.399 5.060 4.660 0.001 0.000 0.312 356 W C -0.368 175.763 176.519 -0.647 0.000 1.123 356 W CA -0.415 56.735 57.345 -0.324 0.000 1.202 356 W CB 0.616 29.905 29.460 -0.284 0.000 1.251 356 W HN 0.370 nan 8.180 nan 0.000 0.511 357 Y N 2.480 122.691 120.300 -0.148 0.000 2.360 357 Y HA 0.400 4.951 4.550 0.002 0.000 0.337 357 Y C -0.525 175.126 175.900 -0.416 0.000 1.039 357 Y CA -1.062 56.904 58.100 -0.223 0.000 1.109 357 Y CB 0.998 39.259 38.460 -0.332 0.000 1.201 357 Y HN 0.263 nan 8.280 nan 0.000 0.458 358 Y N -0.171 120.198 120.300 0.115 0.000 2.468 358 Y HA 0.366 4.918 4.550 0.002 0.000 0.342 358 Y C 0.885 176.823 175.900 0.064 0.000 1.021 358 Y CA -0.877 57.267 58.100 0.073 0.000 1.079 358 Y CB 2.109 40.614 38.460 0.075 0.000 1.226 358 Y HN 0.621 nan 8.280 nan 0.000 0.460 359 T N -3.549 111.128 114.554 0.205 0.000 3.040 359 T HA 0.142 4.493 4.350 0.002 0.000 0.266 359 T C 0.248 175.050 174.700 0.171 0.000 1.005 359 T CA -0.199 62.008 62.100 0.179 0.000 0.906 359 T CB -0.339 68.611 68.868 0.137 0.000 1.082 359 T HN 0.485 nan 8.240 nan 0.000 0.531 360 S N 0.803 116.599 115.700 0.161 0.000 2.592 360 S HA 0.608 5.079 4.470 0.002 0.000 0.271 360 S C 1.340 176.004 174.600 0.107 0.000 1.326 360 S CA -0.077 58.190 58.200 0.112 0.000 1.024 360 S CB 0.413 63.663 63.200 0.083 0.000 0.921 360 S HN 1.179 nan 8.310 nan 0.000 0.527 361 G N 2.011 110.861 108.800 0.083 0.000 2.614 361 G HA2 -0.293 3.668 3.960 0.002 0.000 0.303 361 G HA3 -0.293 3.668 3.960 0.002 0.000 0.303 361 G C 0.639 175.602 174.900 0.105 0.000 1.270 361 G CA 0.261 45.408 45.100 0.078 0.000 0.988 361 G HN 1.310 nan 8.290 nan 0.000 0.551 362 S N 1.937 117.700 115.700 0.105 0.000 2.660 362 S HA 0.499 4.970 4.470 0.002 0.000 0.227 362 S C 0.955 175.654 174.600 0.165 0.000 0.948 362 S CA 1.428 59.704 58.200 0.125 0.000 0.948 362 S CB -0.449 62.812 63.200 0.101 0.000 0.779 362 S HN 2.383 nan 8.310 nan 0.000 0.487 363 G N 1.234 110.145 108.800 0.184 0.000 2.699 363 G HA2 0.047 4.008 3.960 0.002 0.000 0.686 363 G HA3 0.047 4.008 3.960 0.002 0.000 0.686 363 G C -1.377 173.663 174.900 0.234 0.000 1.301 363 G CA -0.564 44.686 45.100 0.251 0.000 0.816 363 G HN 0.309 nan 8.290 nan 0.000 0.595 364 D N -1.995 118.593 120.400 0.314 0.000 2.639 364 D HA 0.699 5.340 4.640 0.002 0.000 0.271 364 D C -1.198 175.327 176.300 0.376 0.000 1.254 364 D CA 0.461 54.627 54.000 0.276 0.000 0.810 364 D CB 2.151 43.026 40.800 0.125 0.000 1.351 364 D HN 1.263 nan 8.370 nan 0.000 0.427 365 V N 1.091 121.144 119.914 0.232 0.000 2.808 365 V HA 0.659 4.780 4.120 0.002 0.000 0.308 365 V C -1.649 174.510 176.094 0.108 0.000 1.099 365 V CA -0.505 61.797 62.300 0.002 0.000 0.920 365 V CB 1.877 33.595 31.823 -0.175 0.000 1.014 365 V HN 0.574 nan 8.190 nan 0.000 0.425 366 K N 3.973 124.470 120.400 0.161 0.000 2.443 366 K HA 0.587 4.908 4.320 0.002 0.000 0.252 366 K C -0.479 176.210 176.600 0.148 0.000 0.933 366 K CA -0.476 55.940 56.287 0.214 0.000 0.792 366 K CB 2.074 34.811 32.500 0.395 0.000 1.185 366 K HN 0.735 nan 8.250 nan 0.000 0.425 367 S N 1.845 117.601 115.700 0.093 0.000 2.546 367 S HA 0.043 4.514 4.470 0.002 0.000 0.290 367 S C 0.560 175.250 174.600 0.151 0.000 1.290 367 S CA -0.012 58.225 58.200 0.061 0.000 1.069 367 S CB 1.012 64.239 63.200 0.045 0.000 0.846 367 S HN 0.662 nan 8.310 nan 0.000 0.495 368 A N 2.982 125.855 122.820 0.088 0.000 2.500 368 A HA 0.631 4.952 4.320 0.002 0.000 0.267 368 A C 1.022 178.675 177.584 0.114 0.000 1.290 368 A CA 0.163 52.304 52.037 0.174 0.000 0.928 368 A CB -0.856 18.174 19.000 0.051 0.000 1.066 368 A HN 1.541 nan 8.150 nan 0.000 0.516 369 G N 0.032 108.870 108.800 0.064 0.000 2.796 369 G HA2 -0.166 3.795 3.960 0.002 0.000 0.571 369 G HA3 -0.166 3.795 3.960 0.002 0.000 0.571 369 G C -0.541 174.358 174.900 -0.001 0.000 1.370 369 G CA -0.479 44.645 45.100 0.040 0.000 0.856 369 G HN 0.498 nan 8.290 nan 0.000 0.538 370 K N 0.069 120.465 120.400 -0.007 0.000 2.172 370 K HA 0.391 4.712 4.320 0.002 0.000 0.276 370 K C 0.872 177.445 176.600 -0.044 0.000 1.013 370 K CA -0.706 55.559 56.287 -0.037 0.000 0.913 370 K CB 1.386 33.869 32.500 -0.028 0.000 1.055 370 K HN 0.613 nan 8.250 nan 0.000 0.461 371 R N 3.425 123.869 120.500 -0.093 0.000 2.458 371 R HA -0.060 4.282 4.340 0.002 0.000 0.303 371 R C -0.388 175.793 176.300 -0.197 0.000 1.013 371 R CA 0.767 56.770 56.100 -0.162 0.000 1.026 371 R CB 0.255 30.429 30.300 -0.209 0.000 0.948 371 R HN 0.786 nan 8.270 nan 0.000 0.417 372 Q N 1.648 121.363 119.800 -0.142 0.000 2.782 372 Q HA 0.492 4.833 4.340 0.002 0.000 0.308 372 Q C -1.691 174.444 176.000 0.225 0.000 0.883 372 Q CA -1.078 54.748 55.803 0.038 0.000 0.755 372 Q CB 1.528 30.293 28.738 0.046 0.000 1.454 372 Q HN 0.643 nan 8.270 nan 0.000 0.452 373 S N -0.776 115.072 115.700 0.247 0.000 2.703 373 S HA 0.314 4.785 4.470 0.002 0.000 0.273 373 S C -0.271 174.397 174.600 0.113 0.000 1.178 373 S CA -0.098 58.242 58.200 0.233 0.000 0.838 373 S CB 0.298 63.718 63.200 0.366 0.000 1.178 373 S HN 0.884 nan 8.310 nan 0.000 0.494 374 N N 0.691 119.432 118.700 0.069 0.000 2.520 374 N HA -0.066 4.675 4.740 0.002 0.000 0.185 374 N C 1.092 176.581 175.510 -0.034 0.000 1.068 374 N CA 0.686 53.745 53.050 0.015 0.000 0.911 374 N CB -0.597 37.895 38.487 0.008 0.000 0.961 374 N HN 0.607 nan 8.380 nan 0.000 0.446 375 R N -0.603 119.852 120.500 -0.076 0.000 2.299 375 R HA 0.273 4.614 4.340 0.002 0.000 0.197 375 R C 0.597 176.859 176.300 -0.063 0.000 0.971 375 R CA 0.514 56.520 56.100 -0.156 0.000 1.030 375 R CB -0.045 30.002 30.300 -0.422 0.000 0.932 375 R HN 0.369 nan 8.270 nan 0.000 0.477 376 G N -0.129 108.678 108.800 0.012 0.000 2.343 376 G HA2 -0.144 3.817 3.960 0.002 0.000 0.465 376 G HA3 -0.144 3.817 3.960 0.002 0.000 0.465 376 G C -1.050 173.895 174.900 0.075 0.000 1.282 376 G CA -1.005 44.114 45.100 0.031 0.000 0.996 376 G HN -0.071 nan 8.290 nan 0.000 0.521 377 V N 1.254 121.197 119.914 0.048 0.000 2.572 377 V HA 0.491 4.612 4.120 0.002 0.000 0.291 377 V C 1.367 177.495 176.094 0.057 0.000 1.039 377 V CA 0.457 62.779 62.300 0.038 0.000 1.055 377 V CB 0.902 32.732 31.823 0.011 0.000 0.969 377 V HN 1.867 nan 8.190 nan 0.000 0.482 378 A N 9.192 132.037 122.820 0.042 0.000 2.450 378 A HA 0.525 4.846 4.320 0.002 0.000 0.255 378 A C -1.779 175.820 177.584 0.025 0.000 1.096 378 A CA -1.044 51.039 52.037 0.077 0.000 0.778 378 A CB -0.153 18.814 19.000 -0.055 0.000 1.031 378 A HN 0.687 nan 8.150 nan 0.000 0.494 379 P HA 0.109 nan 4.420 nan 0.000 0.274 379 P C -0.686 176.602 177.300 -0.019 0.000 1.256 379 P CA -0.488 62.616 63.100 0.008 0.000 0.795 379 P CB 0.442 32.154 31.700 0.019 0.000 1.038 380 D N -0.139 120.231 120.400 -0.050 0.000 2.548 380 D HA 0.147 4.788 4.640 0.002 0.000 0.231 380 D C 0.320 176.591 176.300 -0.049 0.000 1.142 380 D CA 0.904 54.852 54.000 -0.087 0.000 0.866 380 D CB 0.004 40.756 40.800 -0.080 0.000 1.190 380 D HN 0.356 nan 8.370 nan 0.000 0.469 381 A N 2.829 125.611 122.820 -0.064 0.000 3.253 381 A HA 0.219 4.540 4.320 0.002 0.000 0.290 381 A C 0.054 177.696 177.584 0.096 0.000 0.950 381 A CA -0.671 51.410 52.037 0.073 0.000 0.986 381 A CB 0.069 19.236 19.000 0.278 0.000 1.104 381 A HN 0.414 nan 8.150 nan 0.000 0.481 382 M N 0.518 120.109 119.600 -0.016 0.000 2.260 382 M HA 0.227 4.708 4.480 0.002 0.000 0.348 382 M C 0.839 177.106 176.300 -0.055 0.000 1.342 382 M CA 0.891 56.175 55.300 -0.028 0.000 1.040 382 M CB -0.911 31.647 32.600 -0.069 0.000 1.810 382 M HN 0.907 nan 8.290 nan 0.000 0.453 383 C N 2.936 122.251 119.300 0.024 0.000 4.400 383 C HA -0.137 4.324 4.460 0.002 0.000 0.275 383 C C 1.114 176.064 174.990 -0.066 0.000 1.391 383 C CA 0.356 59.337 59.018 -0.062 0.000 1.816 383 C CB -2.867 24.758 27.740 -0.192 0.000 1.404 383 C HN 1.212 nan 8.230 nan 0.000 0.754 384 G N 0.481 109.354 108.800 0.121 0.000 2.636 384 G HA2 0.407 4.369 3.960 0.002 0.000 0.246 384 G HA3 0.407 4.369 3.960 0.002 0.000 0.246 384 G C -0.229 174.337 174.900 -0.556 0.000 1.216 384 G CA -0.035 45.060 45.100 -0.009 0.000 0.854 384 G HN 0.718 nan 8.290 nan 0.000 0.572 385 N N -0.770 117.312 118.700 -1.029 0.000 2.443 385 N HA 0.613 5.354 4.740 0.002 0.000 0.293 385 N C -0.589 174.027 175.510 -1.490 0.000 1.159 385 N CA -0.556 51.763 53.050 -1.220 0.000 0.904 385 N CB 1.938 39.717 38.487 -1.180 0.000 1.214 385 N HN 0.673 nan 8.380 nan 0.000 0.513 386 A N 1.061 123.323 122.820 -0.931 0.000 2.427 386 A HA 0.587 4.909 4.320 0.002 0.000 0.298 386 A C -1.301 176.344 177.584 0.102 0.000 1.036 386 A CA -0.463 51.306 52.037 -0.446 0.000 0.701 386 A CB 1.189 20.031 19.000 -0.263 0.000 1.250 386 A HN 0.356 nan 8.150 nan 0.000 0.412 387 V N 3.204 123.259 119.914 0.234 0.000 2.569 387 V HA 0.399 4.520 4.120 0.002 0.000 0.301 387 V C -0.136 176.096 176.094 0.230 0.000 1.044 387 V CA -0.248 62.247 62.300 0.325 0.000 0.874 387 V CB 1.847 33.883 31.823 0.356 0.000 1.002 387 V HN 0.987 nan 8.190 nan 0.000 0.424 388 M N 5.950 125.647 119.600 0.162 0.000 2.497 388 M HA 0.255 4.736 4.480 0.002 0.000 0.336 388 M C 0.488 176.819 176.300 0.053 0.000 1.378 388 M CA -0.291 54.950 55.300 -0.100 0.000 1.375 388 M CB -0.001 32.518 32.600 -0.134 0.000 1.337 388 M HN 0.849 nan 8.290 nan 0.000 0.461 389 Y N 0.624 120.957 120.300 0.055 0.000 2.523 389 Y HA 0.362 4.912 4.550 0.001 0.000 0.279 389 Y C -0.009 175.943 175.900 0.087 0.000 1.139 389 Y CA -0.410 57.745 58.100 0.091 0.000 1.296 389 Y CB 0.212 38.733 38.460 0.101 0.000 1.045 389 Y HN 0.471 nan 8.280 nan 0.000 0.538 390 D N 0.760 120.967 120.400 -0.321 0.000 2.330 390 D HA 0.368 5.009 4.640 0.002 0.000 0.249 390 D C 0.653 176.903 176.300 -0.083 0.000 1.306 390 D CA -0.006 53.921 54.000 -0.120 0.000 0.956 390 D CB 1.434 42.162 40.800 -0.121 0.000 1.261 390 D HN 0.208 nan 8.370 nan 0.000 0.544 391 A N 2.474 125.341 122.820 0.077 0.000 1.933 391 A HA -0.076 4.245 4.320 0.002 0.000 0.218 391 A C 2.098 179.833 177.584 0.251 0.000 1.175 391 A CA 1.399 53.567 52.037 0.218 0.000 0.628 391 A CB -0.260 18.941 19.000 0.334 0.000 0.814 391 A HN 0.440 nan 8.150 nan 0.000 0.444 392 V N 0.239 120.235 119.914 0.137 0.000 2.332 392 V HA -0.207 3.914 4.120 0.002 0.000 0.248 392 V C 1.965 178.129 176.094 0.116 0.000 1.055 392 V CA 2.110 64.469 62.300 0.098 0.000 1.038 392 V CB -0.505 31.347 31.823 0.047 0.000 0.651 392 V HN 0.390 nan 8.190 nan 0.000 0.450 393 K N -0.148 120.295 120.400 0.071 0.000 2.387 393 K HA 0.291 4.612 4.320 0.002 0.000 0.198 393 K C 1.389 177.999 176.600 0.016 0.000 1.022 393 K CA 0.637 56.951 56.287 0.044 0.000 1.128 393 K CB 0.041 32.543 32.500 0.003 0.000 0.853 393 K HN 0.565 nan 8.250 nan 0.000 0.523 394 G N 2.219 111.050 108.800 0.052 0.000 2.176 394 G HA2 -0.252 3.709 3.960 0.002 0.000 0.252 394 G HA3 -0.252 3.709 3.960 0.002 0.000 0.252 394 G C -0.257 174.411 174.900 -0.387 0.000 1.024 394 G CA 0.057 45.060 45.100 -0.162 0.000 0.755 394 G HN 0.111 nan 8.290 nan 0.000 0.507 395 K N 0.151 120.309 120.400 -0.404 0.000 2.276 395 K HA 0.580 4.901 4.320 0.002 0.000 0.285 395 K C 0.357 176.558 176.600 -0.666 0.000 1.062 395 K CA -0.244 55.704 56.287 -0.565 0.000 0.918 395 K CB 1.265 33.257 32.500 -0.847 0.000 1.055 395 K HN 0.370 nan 8.250 nan 0.000 0.477 396 I N 3.675 123.999 120.570 -0.410 0.000 2.465 396 I HA 0.234 4.405 4.170 0.002 0.000 0.291 396 I C -0.697 175.443 176.117 0.038 0.000 1.014 396 I CA -1.192 59.940 61.300 -0.281 0.000 1.093 396 I CB 1.754 39.484 38.000 -0.450 0.000 1.267 396 I HN 0.265 nan 8.210 nan 0.000 0.431 397 L N 7.128 128.488 121.223 0.228 0.000 2.296 397 L HA 0.655 4.996 4.340 0.002 0.000 0.286 397 L C 0.030 177.015 176.870 0.192 0.000 1.023 397 L CA 0.307 55.281 54.840 0.224 0.000 0.812 397 L CB 1.472 43.644 42.059 0.188 0.000 1.223 397 L HN 0.731 nan 8.230 nan 0.000 0.421 398 T N 1.782 116.403 114.554 0.111 0.000 2.908 398 T HA 0.874 5.225 4.350 0.002 0.000 0.290 398 T C -0.696 173.997 174.700 -0.012 0.000 1.034 398 T CA -0.560 61.414 62.100 -0.210 0.000 1.010 398 T CB 1.442 70.221 68.868 -0.149 0.000 1.068 398 T HN 0.580 nan 8.240 nan 0.000 0.481 399 F N -1.514 118.332 119.950 -0.172 0.000 2.690 399 F HA 0.719 5.247 4.527 0.001 0.000 0.311 399 F C 0.275 176.084 175.800 0.015 0.000 1.111 399 F CA -0.295 57.656 58.000 -0.081 0.000 1.003 399 F CB 0.671 39.618 39.000 -0.089 0.000 1.283 399 F HN 1.253 nan 8.300 nan 0.000 0.442 400 G N 0.704 109.555 108.800 0.086 0.000 2.593 400 G HA2 0.476 4.437 3.960 0.002 0.000 0.237 400 G HA3 0.476 4.437 3.960 0.002 0.000 0.237 400 G C 0.392 175.336 174.900 0.073 0.000 1.312 400 G CA 0.526 45.616 45.100 -0.017 0.000 0.896 400 G HN 3.234 nan 8.290 nan 0.000 0.574 401 G N -2.356 106.483 108.800 0.065 0.000 2.796 401 G HA2 0.467 4.428 3.960 0.002 0.000 0.571 401 G HA3 0.467 4.428 3.960 0.002 0.000 0.571 401 G C 0.147 175.012 174.900 -0.059 0.000 1.370 401 G CA 0.908 46.015 45.100 0.011 0.000 0.856 401 G HN 2.975 nan 8.290 nan 0.000 0.538 402 S N -0.891 114.753 115.700 -0.094 0.000 2.588 402 S HA 0.833 5.304 4.470 0.002 0.000 0.275 402 S C -1.975 172.588 174.600 -0.063 0.000 1.130 402 S CA -0.523 57.621 58.200 -0.094 0.000 0.855 402 S CB 2.884 65.991 63.200 -0.156 0.000 1.116 402 S HN 0.533 nan 8.310 nan 0.000 0.472 403 P HA 0.123 nan 4.420 nan 0.000 0.219 403 P C -0.409 176.876 177.300 -0.026 0.000 1.150 403 P CA 1.194 64.275 63.100 -0.032 0.000 0.814 403 P CB -0.093 31.593 31.700 -0.023 0.000 0.787 404 D N -2.392 117.996 120.400 -0.020 0.000 2.340 404 D HA 0.086 4.727 4.640 0.002 0.000 0.240 404 D C 0.578 176.901 176.300 0.037 0.000 1.001 404 D CA -0.736 53.276 54.000 0.020 0.000 0.888 404 D CB 1.202 42.019 40.800 0.028 0.000 1.310 404 D HN -0.107 nan 8.370 nan 0.000 0.474 405 Y N 1.035 121.318 120.300 -0.029 0.000 2.151 405 Y HA -0.239 4.312 4.550 0.002 0.000 0.284 405 Y C 1.104 177.009 175.900 0.008 0.000 1.166 405 Y CA 1.759 59.858 58.100 -0.002 0.000 1.163 405 Y CB 0.408 38.852 38.460 -0.026 0.000 0.974 405 Y HN 0.436 nan 8.280 nan 0.000 0.511 406 Q N -1.934 118.000 119.800 0.223 0.000 2.501 406 Q HA 0.281 4.622 4.340 0.002 0.000 0.288 406 Q C -0.960 175.075 176.000 0.057 0.000 1.051 406 Q CA -0.416 55.471 55.803 0.139 0.000 0.788 406 Q CB 2.015 30.841 28.738 0.146 0.000 1.469 406 Q HN 0.131 nan 8.270 nan 0.000 0.416 407 D N -0.278 120.142 120.400 0.032 0.000 2.800 407 D HA -0.141 4.500 4.640 0.002 0.000 0.232 407 D C -1.162 175.135 176.300 -0.004 0.000 1.137 407 D CA 1.619 55.627 54.000 0.013 0.000 0.718 407 D CB -1.210 39.603 40.800 0.021 0.000 1.084 407 D HN 0.485 nan 8.370 nan 0.000 0.432 408 S N -0.430 115.253 115.700 -0.027 0.000 2.547 408 S HA 0.337 4.808 4.470 0.002 0.000 0.281 408 S C -1.140 173.418 174.600 -0.071 0.000 1.118 408 S CA -0.792 57.383 58.200 -0.042 0.000 0.947 408 S CB 1.611 64.785 63.200 -0.044 0.000 1.053 408 S HN -0.046 nan 8.310 nan 0.000 0.482 409 D N 3.057 123.423 120.400 -0.058 0.000 2.383 409 D HA 0.484 5.125 4.640 0.002 0.000 0.252 409 D C 0.504 176.754 176.300 -0.084 0.000 1.166 409 D CA 0.304 54.264 54.000 -0.066 0.000 0.879 409 D CB 1.338 42.111 40.800 -0.046 0.000 1.164 409 D HN 0.670 nan 8.370 nan 0.000 0.462 410 A N 2.461 125.213 122.820 -0.114 0.000 2.327 410 A HA 0.555 4.876 4.320 0.002 0.000 0.255 410 A C 0.697 178.231 177.584 -0.083 0.000 1.099 410 A CA -0.250 51.713 52.037 -0.124 0.000 0.801 410 A CB 0.325 19.220 19.000 -0.175 0.000 1.062 410 A HN 0.601 nan 8.150 nan 0.000 0.496 411 T N -3.490 111.021 114.554 -0.071 0.000 2.888 411 T HA 0.550 4.901 4.350 0.002 0.000 0.288 411 T C 0.543 175.202 174.700 -0.069 0.000 1.063 411 T CA 0.219 62.292 62.100 -0.044 0.000 1.010 411 T CB 1.125 69.997 68.868 0.007 0.000 1.214 411 T HN 1.046 nan 8.240 nan 0.000 0.533 412 T N -1.661 112.857 114.554 -0.060 0.000 3.122 412 T HA 0.231 4.582 4.350 0.002 0.000 0.250 412 T C 0.391 175.043 174.700 -0.080 0.000 1.067 412 T CA -0.509 61.522 62.100 -0.116 0.000 0.966 412 T CB -1.075 67.709 68.868 -0.140 0.000 1.002 412 T HN 0.689 nan 8.240 nan 0.000 0.542 413 N N 1.831 120.549 118.700 0.030 0.000 2.407 413 N HA 0.412 5.153 4.740 0.002 0.000 0.250 413 N C -0.474 174.920 175.510 -0.194 0.000 1.236 413 N CA -0.054 53.035 53.050 0.065 0.000 0.879 413 N CB 0.351 38.988 38.487 0.250 0.000 1.088 413 N HN 0.530 nan 8.380 nan 0.000 0.450 414 A N 1.873 124.243 122.820 -0.749 0.000 2.547 414 A HA 0.559 4.880 4.320 0.002 0.000 0.297 414 A C -1.621 175.387 177.584 -0.961 0.000 1.056 414 A CA -0.667 51.048 52.037 -0.537 0.000 0.688 414 A CB 1.069 19.863 19.000 -0.343 0.000 1.282 414 A HN 0.791 nan 8.150 nan 0.000 0.400 415 H N 0.537 119.468 119.070 -0.232 0.000 2.865 415 H HA 0.680 5.237 4.556 0.002 0.000 0.372 415 H C -0.798 174.492 175.328 -0.063 0.000 1.173 415 H CA -0.682 55.288 56.048 -0.130 0.000 1.147 415 H CB 1.630 31.402 29.762 0.017 0.000 1.805 415 H HN 0.488 nan 8.280 nan 0.000 0.553 416 I N 3.036 123.665 120.570 0.099 0.000 2.362 416 I HA 0.287 4.458 4.170 0.002 0.000 0.289 416 I C -0.241 175.929 176.117 0.089 0.000 0.994 416 I CA -0.287 61.068 61.300 0.093 0.000 1.158 416 I CB 0.777 38.841 38.000 0.108 0.000 1.315 416 I HN 0.460 nan 8.210 nan 0.000 0.451 417 I N 5.360 125.948 120.570 0.030 0.000 2.377 417 I HA 0.318 4.490 4.170 0.002 0.000 0.293 417 I C 0.019 176.043 176.117 -0.155 0.000 0.987 417 I CA -0.335 60.941 61.300 -0.040 0.000 1.185 417 I CB 1.925 39.904 38.000 -0.035 0.000 1.341 417 I HN 0.454 nan 8.210 nan 0.000 0.455 418 T N 7.063 121.527 114.554 -0.150 0.000 2.842 418 T HA 0.442 4.793 4.350 0.002 0.000 0.308 418 T C -0.030 174.533 174.700 -0.230 0.000 1.041 418 T CA -0.487 61.510 62.100 -0.171 0.000 0.964 418 T CB 0.478 69.307 68.868 -0.065 0.000 0.972 418 T HN 0.277 nan 8.240 nan 0.000 0.460 419 L N 3.060 124.052 121.223 -0.386 0.000 2.367 419 L HA 0.486 4.827 4.340 0.002 0.000 0.275 419 L C 1.253 178.105 176.870 -0.029 0.000 1.129 419 L CA -0.128 54.463 54.840 -0.416 0.000 0.839 419 L CB 0.617 42.074 42.059 -1.003 0.000 1.133 419 L HN 0.761 nan 8.230 nan 0.000 0.453 420 G N 2.866 111.734 108.800 0.114 0.000 3.271 420 G HA2 0.238 4.199 3.960 0.002 0.000 0.174 420 G HA3 0.238 4.199 3.960 0.002 0.000 0.174 420 G C -0.289 174.802 174.900 0.318 0.000 1.385 420 G CA -0.342 44.881 45.100 0.204 0.000 0.979 420 G HN 0.463 nan 8.290 nan 0.000 0.610 421 E N 1.387 121.664 120.200 0.129 0.000 2.343 421 E HA 0.297 4.648 4.350 0.002 0.000 0.269 421 E C -2.199 174.206 176.600 -0.324 0.000 1.047 421 E CA -1.853 54.550 56.400 0.005 0.000 0.874 421 E CB 0.968 30.639 29.700 -0.048 0.000 1.033 421 E HN 0.029 nan 8.360 nan 0.000 0.409 422 P HA -0.011 nan 4.420 nan 0.000 0.265 422 P C 0.754 177.461 177.300 -0.988 0.000 1.187 422 P CA 0.991 63.193 63.100 -1.497 0.000 0.766 422 P CB 0.396 31.722 31.700 -0.622 0.000 0.820 423 G N 1.080 109.039 108.800 -1.403 0.000 2.199 423 G HA2 -0.210 3.751 3.960 0.002 0.000 0.254 423 G HA3 -0.210 3.751 3.960 0.002 0.000 0.254 423 G C 0.270 175.117 174.900 -0.089 0.000 0.982 423 G CA 0.391 45.282 45.100 -0.348 0.000 0.632 423 G HN 0.861 nan 8.290 nan 0.000 0.529 424 T N -1.066 113.445 114.554 -0.071 0.000 2.902 424 T HA 0.681 5.032 4.350 0.002 0.000 0.283 424 T C 0.197 175.141 174.700 0.406 0.000 1.009 424 T CA 0.297 62.490 62.100 0.155 0.000 1.051 424 T CB 1.984 70.906 68.868 0.090 0.000 0.999 424 T HN 0.456 nan 8.240 nan 0.000 0.474 425 S N 4.455 120.321 115.700 0.277 0.000 2.422 425 S HA 0.355 4.826 4.470 0.002 0.000 0.283 425 S C -1.924 172.782 174.600 0.176 0.000 1.163 425 S CA -0.872 57.482 58.200 0.257 0.000 1.054 425 S CB -0.043 63.258 63.200 0.167 0.000 0.967 425 S HN 0.691 nan 8.310 nan 0.000 0.499 426 P HA 0.034 nan 4.420 nan 0.000 0.272 426 P C -0.174 177.147 177.300 0.034 0.000 1.223 426 P CA -0.545 62.571 63.100 0.028 0.000 0.784 426 P CB 0.454 32.056 31.700 -0.164 0.000 0.923 427 N N 1.188 119.902 118.700 0.023 0.000 2.458 427 N HA 0.064 4.805 4.740 0.002 0.000 0.258 427 N C -0.599 174.934 175.510 0.039 0.000 1.219 427 N CA 0.466 53.539 53.050 0.037 0.000 0.902 427 N CB 0.398 38.907 38.487 0.036 0.000 1.076 427 N HN 0.470 nan 8.380 nan 0.000 0.455 428 T N -0.064 114.533 114.554 0.072 0.000 2.921 428 T HA 0.551 4.902 4.350 0.002 0.000 0.297 428 T C -0.148 174.651 174.700 0.164 0.000 1.013 428 T CA -0.845 61.321 62.100 0.109 0.000 0.990 428 T CB 1.113 70.037 68.868 0.093 0.000 1.023 428 T HN 0.322 nan 8.240 nan 0.000 0.447 429 V N 0.330 120.365 119.914 0.202 0.000 3.141 429 V HA 0.844 4.965 4.120 0.002 0.000 0.312 429 V C -0.637 175.619 176.094 0.269 0.000 1.157 429 V CA -1.513 60.923 62.300 0.226 0.000 1.041 429 V CB 1.558 33.473 31.823 0.153 0.000 1.071 429 V HN 0.863 nan 8.190 nan 0.000 0.441 430 F N 1.766 121.741 119.950 0.042 0.000 2.429 430 F HA 0.692 5.220 4.527 0.003 0.000 0.348 430 F C 0.851 176.616 175.800 -0.058 0.000 1.109 430 F CA 0.276 58.198 58.000 -0.131 0.000 1.232 430 F CB 1.006 39.928 39.000 -0.130 0.000 1.157 430 F HN 0.913 nan 8.300 nan 0.000 0.564 431 A N 4.787 127.343 122.820 -0.441 0.000 2.310 431 A HA 0.491 4.812 4.320 0.002 0.000 0.300 431 A C 0.683 178.304 177.584 0.062 0.000 1.269 431 A CA 0.506 52.422 52.037 -0.202 0.000 0.909 431 A CB 0.152 18.913 19.000 -0.400 0.000 1.144 431 A HN 1.130 nan 8.150 nan 0.000 0.540 432 S N 1.858 117.678 115.700 0.200 0.000 3.927 432 S HA -0.344 4.127 4.470 0.002 0.000 0.618 432 S C 1.084 175.845 174.600 0.269 0.000 2.201 432 S CA 1.958 60.298 58.200 0.235 0.000 4.160 432 S CB -0.987 62.410 63.200 0.327 0.000 0.266 432 S HN 1.430 nan 8.310 nan 0.000 0.760 433 N N 1.869 120.686 118.700 0.194 0.000 2.273 433 N HA 0.417 5.158 4.740 0.002 0.000 0.231 433 N C 0.200 175.802 175.510 0.153 0.000 1.134 433 N CA 1.651 54.794 53.050 0.154 0.000 0.856 433 N CB 0.253 38.721 38.487 -0.030 0.000 1.068 433 N HN 1.306 nan 8.380 nan 0.000 0.510 434 G N 0.022 108.869 108.800 0.078 0.000 2.760 434 G HA2 -0.222 3.740 3.960 0.002 0.000 0.246 434 G HA3 -0.222 3.740 3.960 0.002 0.000 0.246 434 G C -0.618 173.815 174.900 -0.779 0.000 1.359 434 G CA -0.459 44.469 45.100 -0.286 0.000 0.861 434 G HN 0.241 nan 8.290 nan 0.000 0.541 435 L N -0.111 120.610 121.223 -0.836 0.000 2.483 435 L HA 0.200 4.541 4.340 0.002 0.000 0.275 435 L C 1.767 178.263 176.870 -0.623 0.000 1.220 435 L CA -0.358 53.933 54.840 -0.914 0.000 0.833 435 L CB 0.263 42.010 42.059 -0.520 0.000 1.102 435 L HN 0.650 nan 8.230 nan 0.000 0.490 436 Y N 1.026 120.984 120.300 -0.571 0.000 2.224 436 Y HA -0.097 4.455 4.550 0.002 0.000 0.289 436 Y C 0.500 175.887 175.900 -0.856 0.000 1.146 436 Y CA 1.389 59.081 58.100 -0.680 0.000 1.182 436 Y CB 0.036 38.044 38.460 -0.752 0.000 0.983 436 Y HN 0.245 nan 8.280 nan 0.000 0.524 437 F N -0.841 119.065 119.950 -0.074 0.000 2.518 437 F HA 0.589 5.117 4.527 0.001 0.000 0.323 437 F C 0.144 175.834 175.800 -0.184 0.000 1.129 437 F CA -1.869 56.065 58.000 -0.109 0.000 0.920 437 F CB 0.816 39.755 39.000 -0.102 0.000 1.160 437 F HN -0.266 nan 8.300 nan 0.000 0.440 438 A N 4.799 127.612 122.820 -0.012 0.000 2.520 438 A HA 0.612 4.933 4.320 0.002 0.000 0.245 438 A C 0.090 177.599 177.584 -0.126 0.000 1.072 438 A CA -0.196 51.787 52.037 -0.091 0.000 0.761 438 A CB 0.048 19.006 19.000 -0.071 0.000 1.004 438 A HN 0.896 nan 8.150 nan 0.000 0.499 439 R N 0.772 121.128 120.500 -0.240 0.000 2.594 439 R HA 0.710 5.051 4.340 0.002 0.000 0.265 439 R C -1.018 175.089 176.300 -0.323 0.000 1.070 439 R CA -0.549 55.373 56.100 -0.297 0.000 0.909 439 R CB 1.295 31.385 30.300 -0.350 0.000 1.243 439 R HN 0.525 nan 8.270 nan 0.000 0.455 440 T N 1.128 115.544 114.554 -0.229 0.000 2.916 440 T HA 0.560 4.911 4.350 0.002 0.000 0.292 440 T C -0.371 174.195 174.700 -0.222 0.000 1.055 440 T CA -0.245 61.701 62.100 -0.258 0.000 1.009 440 T CB 0.472 68.949 68.868 -0.652 0.000 1.118 440 T HN 0.563 nan 8.240 nan 0.000 0.497 441 F N 0.877 120.863 119.950 0.059 0.000 2.871 441 F HA -0.189 4.338 4.527 0.001 0.000 0.326 441 F C 0.878 176.654 175.800 -0.041 0.000 0.675 441 F CA 0.790 58.761 58.000 -0.047 0.000 1.188 441 F CB -3.032 35.951 39.000 -0.029 0.000 1.567 441 F HN 0.815 nan 8.300 nan 0.000 0.325 442 H N 0.480 119.553 119.070 0.005 0.000 2.801 442 H HA 0.590 5.147 4.556 0.001 0.000 0.377 442 H C 0.667 175.993 175.328 -0.003 0.000 1.304 442 H CA 0.623 56.662 56.048 -0.015 0.000 1.451 442 H CB 0.462 30.216 29.762 -0.014 0.000 1.474 442 H HN 0.278 nan 8.280 nan 0.000 0.620 443 T N -1.823 112.736 114.554 0.008 0.000 2.887 443 T HA 0.644 4.995 4.350 0.002 0.000 0.292 443 T C -0.598 174.154 174.700 0.086 0.000 1.087 443 T CA -0.559 61.525 62.100 -0.026 0.000 1.009 443 T CB 1.626 70.500 68.868 0.010 0.000 1.203 443 T HN 0.997 nan 8.240 nan 0.000 0.518 444 S N -0.639 115.134 115.700 0.121 0.000 2.552 444 S HA 0.734 5.205 4.470 0.002 0.000 0.272 444 S C -0.968 173.768 174.600 0.226 0.000 1.150 444 S CA -0.475 57.854 58.200 0.215 0.000 0.849 444 S CB 1.072 64.517 63.200 0.408 0.000 1.113 444 S HN 2.030 nan 8.310 nan 0.000 0.458 445 V N -1.211 118.867 119.914 0.274 0.000 2.971 445 V HA 0.911 5.032 4.120 0.002 0.000 0.309 445 V C -0.262 175.972 176.094 0.233 0.000 1.130 445 V CA -0.928 61.515 62.300 0.238 0.000 0.964 445 V CB 1.308 33.266 31.823 0.226 0.000 1.029 445 V HN 1.235 nan 8.190 nan 0.000 0.427 446 V N 5.082 125.115 119.914 0.199 0.000 2.530 446 V HA 0.488 4.609 4.120 0.002 0.000 0.282 446 V C 0.025 176.193 176.094 0.124 0.000 1.048 446 V CA -0.060 62.349 62.300 0.181 0.000 0.997 446 V CB 0.804 32.754 31.823 0.210 0.000 0.987 446 V HN 0.813 nan 8.190 nan 0.000 0.477 447 L N 7.751 129.036 121.223 0.103 0.000 2.387 447 L HA 0.438 4.779 4.340 0.002 0.000 0.266 447 L C -1.378 175.430 176.870 -0.104 0.000 1.059 447 L CA -1.854 53.005 54.840 0.033 0.000 0.801 447 L CB 1.058 43.219 42.059 0.170 0.000 1.223 447 L HN 0.406 nan 8.230 nan 0.000 0.456 448 P HA -0.204 nan 4.420 nan 0.000 0.217 448 P C 0.490 177.629 177.300 -0.268 0.000 1.151 448 P CA 1.304 64.101 63.100 -0.505 0.000 0.849 448 P CB -0.022 31.049 31.700 -1.048 0.000 0.787 449 D N -2.298 117.956 120.400 -0.244 0.000 2.336 449 D HA 0.099 4.740 4.640 0.002 0.000 0.229 449 D C 1.413 177.689 176.300 -0.040 0.000 1.061 449 D CA 0.518 54.437 54.000 -0.136 0.000 0.875 449 D CB -1.002 39.723 40.800 -0.125 0.000 0.904 449 D HN 0.250 nan 8.370 nan 0.000 0.525 450 G N 0.201 109.004 108.800 0.005 0.000 2.205 450 G HA2 -0.312 3.650 3.960 0.002 0.000 0.261 450 G HA3 -0.312 3.650 3.960 0.002 0.000 0.261 450 G C 0.469 175.386 174.900 0.029 0.000 0.980 450 G CA 0.480 45.629 45.100 0.082 0.000 0.632 450 G HN 0.860 nan 8.290 nan 0.000 0.533 451 S N -0.181 115.518 115.700 -0.001 0.000 2.593 451 S HA 0.616 5.087 4.470 0.002 0.000 0.269 451 S C 0.071 174.700 174.600 0.048 0.000 1.334 451 S CA 0.722 58.904 58.200 -0.030 0.000 1.015 451 S CB 1.789 64.987 63.200 -0.004 0.000 0.912 451 S HN 0.617 nan 8.310 nan 0.000 0.541 452 T N 2.901 117.477 114.554 0.036 0.000 2.779 452 T HA 0.425 4.776 4.350 0.002 0.000 0.280 452 T C -0.915 173.855 174.700 0.118 0.000 0.987 452 T CA -0.313 61.845 62.100 0.097 0.000 0.966 452 T CB 0.335 69.235 68.868 0.052 0.000 0.933 452 T HN 0.562 nan 8.240 nan 0.000 0.442 453 F N 4.859 124.820 119.950 0.019 0.000 2.410 453 F HA 0.678 5.210 4.527 0.008 0.000 0.349 453 F C -0.832 174.971 175.800 0.004 0.000 1.117 453 F CA -1.244 56.744 58.000 -0.021 0.000 1.104 453 F CB 0.352 39.326 39.000 -0.043 0.000 1.122 453 F HN 0.427 nan 8.300 nan 0.000 0.483 454 I N 5.603 125.764 120.570 -0.682 0.000 2.466 454 I HA 0.391 4.562 4.170 0.002 0.000 0.289 454 I C -0.399 175.358 176.117 -0.600 0.000 1.026 454 I CA -0.467 60.586 61.300 -0.412 0.000 1.078 454 I CB 2.133 39.959 38.000 -0.289 0.000 1.249 454 I HN 0.577 nan 8.210 nan 0.000 0.429 455 T N 3.610 117.964 114.554 -0.333 0.000 2.923 455 T HA 0.727 5.078 4.350 0.002 0.000 0.311 455 T C -0.126 174.536 174.700 -0.063 0.000 1.183 455 T CA 0.574 62.517 62.100 -0.262 0.000 1.020 455 T CB 1.538 70.273 68.868 -0.222 0.000 1.165 455 T HN 1.173 nan 8.240 nan 0.000 0.482 456 G N 1.685 110.420 108.800 -0.109 0.000 2.593 456 G HA2 0.398 4.359 3.960 0.002 0.000 0.237 456 G HA3 0.398 4.359 3.960 0.002 0.000 0.237 456 G C 0.580 175.426 174.900 -0.089 0.000 1.312 456 G CA 0.302 45.325 45.100 -0.128 0.000 0.896 456 G HN 2.507 nan 8.290 nan 0.000 0.574 457 G N -1.845 106.925 108.800 -0.051 0.000 2.712 457 G HA2 0.549 4.510 3.960 0.002 0.000 0.683 457 G HA3 0.549 4.510 3.960 0.002 0.000 0.683 457 G C -0.386 174.446 174.900 -0.112 0.000 1.320 457 G CA 0.868 45.967 45.100 -0.001 0.000 0.847 457 G HN 2.440 nan 8.290 nan 0.000 0.553 458 Q N -1.062 118.681 119.800 -0.094 0.000 2.495 458 Q HA 0.704 5.045 4.340 0.002 0.000 0.287 458 Q C 1.000 176.917 176.000 -0.140 0.000 1.078 458 Q CA -0.928 54.798 55.803 -0.128 0.000 0.793 458 Q CB 1.898 30.597 28.738 -0.065 0.000 1.459 458 Q HN 0.643 nan 8.270 nan 0.000 0.422 459 R N -0.015 120.415 120.500 -0.117 0.000 2.115 459 R HA -0.005 4.336 4.340 0.002 0.000 0.226 459 R C 0.035 176.273 176.300 -0.104 0.000 1.100 459 R CA 1.117 57.158 56.100 -0.099 0.000 0.980 459 R CB 0.381 30.645 30.300 -0.060 0.000 0.875 459 R HN 0.599 nan 8.270 nan 0.000 0.445 460 R N -0.403 120.043 120.500 -0.091 0.000 2.451 460 R HA 0.248 4.589 4.340 0.002 0.000 0.307 460 R C -1.138 175.117 176.300 -0.074 0.000 0.965 460 R CA -0.269 55.783 56.100 -0.079 0.000 0.865 460 R CB 1.647 31.921 30.300 -0.044 0.000 1.174 460 R HN 0.136 nan 8.270 nan 0.000 0.455 461 G N 5.284 114.004 108.800 -0.132 0.000 2.363 461 G HA2 0.289 4.250 3.960 0.002 0.000 0.285 461 G HA3 0.289 4.250 3.960 0.002 0.000 0.285 461 G C -0.207 174.759 174.900 0.110 0.000 1.084 461 G CA -0.156 44.891 45.100 -0.089 0.000 1.216 461 G HN 0.650 nan 8.290 nan 0.000 0.429 462 I N 4.452 125.127 120.570 0.175 0.000 2.623 462 I HA 0.178 4.349 4.170 0.002 0.000 0.275 462 I C -2.365 173.736 176.117 -0.026 0.000 1.108 462 I CA -1.937 59.404 61.300 0.068 0.000 1.120 462 I CB 2.386 40.413 38.000 0.044 0.000 1.249 462 I HN 0.223 nan 8.210 nan 0.000 0.500 463 P HA -0.019 nan 4.420 nan 0.000 0.261 463 P C -0.164 176.874 177.300 -0.437 0.000 1.165 463 P CA 0.748 63.334 63.100 -0.857 0.000 0.759 463 P CB 0.025 30.909 31.700 -1.359 0.000 0.772 464 F N -0.589 119.367 119.950 0.010 0.000 2.544 464 F HA -0.198 4.329 4.527 0.001 0.000 0.389 464 F C 0.649 176.467 175.800 0.031 0.000 0.588 464 F CA 0.779 58.816 58.000 0.062 0.000 1.461 464 F CB -1.849 37.202 39.000 0.086 0.000 1.995 464 F HN 0.324 nan 8.300 nan 0.000 0.282 465 E N 0.897 121.172 120.200 0.126 0.000 2.199 465 E HA 0.377 4.728 4.350 0.002 0.000 0.269 465 E C -0.366 176.270 176.600 0.060 0.000 0.899 465 E CA -0.501 55.952 56.400 0.088 0.000 0.772 465 E CB 0.997 30.739 29.700 0.069 0.000 1.155 465 E HN 0.039 nan 8.360 nan 0.000 0.408 466 D N 2.570 123.001 120.400 0.052 0.000 2.706 466 D HA 0.083 4.724 4.640 0.002 0.000 0.236 466 D C -0.409 175.887 176.300 -0.007 0.000 1.231 466 D CA 0.144 54.163 54.000 0.031 0.000 0.828 466 D CB 0.119 40.962 40.800 0.071 0.000 1.015 466 D HN 0.304 nan 8.370 nan 0.000 0.484 467 S N -1.105 114.592 115.700 -0.005 0.000 2.693 467 S HA 0.334 4.805 4.470 0.002 0.000 0.276 467 S C 0.828 175.397 174.600 -0.052 0.000 1.192 467 S CA -0.313 57.877 58.200 -0.017 0.000 0.994 467 S CB 1.176 64.377 63.200 0.001 0.000 1.012 467 S HN 0.274 nan 8.310 nan 0.000 0.550 468 T N -2.238 112.284 114.554 -0.055 0.000 3.669 468 T HA -0.124 4.227 4.350 0.002 0.000 0.371 468 T C -1.953 172.648 174.700 -0.164 0.000 0.763 468 T CA 0.432 62.483 62.100 -0.081 0.000 1.877 468 T CB -2.439 66.393 68.868 -0.059 0.000 1.799 468 T HN 0.648 nan 8.240 nan 0.000 0.720 469 P HA 0.487 nan 4.420 nan 0.000 0.275 469 P C -0.072 176.846 177.300 -0.636 0.000 1.228 469 P CA -0.499 62.303 63.100 -0.497 0.000 0.786 469 P CB 1.285 32.535 31.700 -0.750 0.000 0.927 470 V N 3.970 123.515 119.914 -0.615 0.000 2.347 470 V HA 0.177 4.299 4.120 0.002 0.000 0.280 470 V C 0.740 176.441 176.094 -0.655 0.000 1.021 470 V CA 0.007 61.950 62.300 -0.595 0.000 0.847 470 V CB 0.216 31.788 31.823 -0.418 0.000 0.990 470 V HN 0.416 nan 8.190 nan 0.000 0.444 471 F N 1.315 121.033 119.950 -0.387 0.000 2.746 471 F HA 0.167 4.694 4.527 0.001 0.000 0.297 471 F C 1.393 177.009 175.800 -0.307 0.000 1.113 471 F CA 0.140 57.943 58.000 -0.329 0.000 1.367 471 F CB 0.335 39.167 39.000 -0.280 0.000 1.111 471 F HN 0.366 nan 8.300 nan 0.000 0.590 472 T N 3.895 118.292 114.554 -0.262 0.000 2.753 472 T HA 0.311 4.662 4.350 0.002 0.000 0.297 472 T C -2.454 172.171 174.700 -0.126 0.000 0.981 472 T CA -1.523 60.471 62.100 -0.176 0.000 0.956 472 T CB 1.497 70.208 68.868 -0.262 0.000 0.936 472 T HN -0.218 nan 8.240 nan 0.000 0.463 473 P HA 0.485 nan 4.420 nan 0.000 0.278 473 P C -0.602 176.644 177.300 -0.091 0.000 1.266 473 P CA -0.709 62.294 63.100 -0.162 0.000 0.807 473 P CB 1.180 32.711 31.700 -0.283 0.000 1.094 474 E N -0.037 120.069 120.200 -0.158 0.000 2.317 474 E HA 0.585 4.936 4.350 0.002 0.000 0.270 474 E C -0.790 175.829 176.600 0.032 0.000 0.885 474 E CA -0.697 55.729 56.400 0.043 0.000 0.760 474 E CB 1.997 31.788 29.700 0.151 0.000 1.227 474 E HN 0.318 nan 8.360 nan 0.000 0.434 475 I N 2.430 123.122 120.570 0.202 0.000 2.436 475 I HA 0.224 4.395 4.170 0.002 0.000 0.289 475 I C -1.150 175.072 176.117 0.175 0.000 1.010 475 I CA -0.952 60.459 61.300 0.185 0.000 1.098 475 I CB 1.078 39.198 38.000 0.200 0.000 1.266 475 I HN 0.518 nan 8.210 nan 0.000 0.434 476 Y N 7.183 127.370 120.300 -0.188 0.000 2.336 476 Y HA 0.435 4.986 4.550 0.002 0.000 0.335 476 Y C -0.576 175.130 175.900 -0.324 0.000 1.046 476 Y CA -0.427 57.328 58.100 -0.575 0.000 1.198 476 Y CB 1.084 38.983 38.460 -0.937 0.000 1.182 476 Y HN 0.228 nan 8.280 nan 0.000 0.502 477 V N 10.494 129.925 119.914 -0.805 0.000 2.311 477 V HA 0.212 4.333 4.120 0.002 0.000 0.275 477 V C -1.788 173.761 176.094 -0.907 0.000 1.022 477 V CA -1.563 60.399 62.300 -0.564 0.000 0.830 477 V CB 1.244 32.971 31.823 -0.161 0.000 1.012 477 V HN 0.749 nan 8.190 nan 0.000 0.452 478 P HA -0.104 nan 4.420 nan 0.000 0.216 478 P C 1.204 178.347 177.300 -0.261 0.000 1.150 478 P CA 0.976 63.752 63.100 -0.539 0.000 0.837 478 P CB 0.509 32.068 31.700 -0.235 0.000 0.786 479 E N -0.459 119.631 120.200 -0.184 0.000 2.204 479 E HA -0.142 4.209 4.350 0.002 0.000 0.194 479 E C 1.838 178.385 176.600 -0.090 0.000 0.989 479 E CA 1.084 57.433 56.400 -0.085 0.000 0.824 479 E CB -0.638 29.027 29.700 -0.058 0.000 0.756 479 E HN 0.418 nan 8.360 nan 0.000 0.477 480 Q N 0.067 119.781 119.800 -0.144 0.000 2.319 480 Q HA 0.029 4.370 4.340 0.002 0.000 0.202 480 Q C -0.305 175.603 176.000 -0.154 0.000 0.896 480 Q CA 0.115 55.858 55.803 -0.100 0.000 0.942 480 Q CB 0.472 29.203 28.738 -0.011 0.000 1.083 480 Q HN 0.107 nan 8.270 nan 0.000 0.510 481 D N 1.303 121.549 120.400 -0.257 0.000 2.745 481 D HA -0.166 4.475 4.640 0.002 0.000 0.225 481 D C -1.263 174.928 176.300 -0.181 0.000 1.212 481 D CA 0.994 54.875 54.000 -0.198 0.000 0.632 481 D CB -0.672 40.142 40.800 0.023 0.000 0.994 481 D HN 0.075 nan 8.370 nan 0.000 0.407 482 T N 0.951 115.255 114.554 -0.416 0.000 2.912 482 T HA 0.521 4.872 4.350 0.002 0.000 0.299 482 T C -0.345 174.098 174.700 -0.429 0.000 1.052 482 T CA -0.616 61.290 62.100 -0.323 0.000 0.996 482 T CB 0.701 69.349 68.868 -0.367 0.000 1.070 482 T HN 0.021 nan 8.240 nan 0.000 0.465 483 F N 1.912 121.754 119.950 -0.179 0.000 2.399 483 F HA 0.601 5.129 4.527 0.002 0.000 0.334 483 F C -0.365 175.374 175.800 -0.103 0.000 1.097 483 F CA -0.611 57.385 58.000 -0.006 0.000 1.076 483 F CB 1.005 40.055 39.000 0.083 0.000 1.162 483 F HN 0.490 nan 8.300 nan 0.000 0.495 484 Y N 1.577 122.070 120.300 0.322 0.000 2.361 484 Y HA 0.353 4.905 4.550 0.004 0.000 0.337 484 Y C -0.134 175.805 175.900 0.064 0.000 0.965 484 Y CA -1.371 56.833 58.100 0.173 0.000 1.091 484 Y CB 1.436 39.944 38.460 0.080 0.000 1.182 484 Y HN 0.390 nan 8.280 nan 0.000 0.450 485 K N 3.435 123.804 120.400 -0.053 0.000 2.436 485 K HA 0.124 4.446 4.320 0.002 0.000 0.275 485 K C -0.240 176.413 176.600 0.089 0.000 0.999 485 K CA -0.312 55.933 56.287 -0.069 0.000 0.980 485 K CB 0.487 32.835 32.500 -0.255 0.000 0.919 485 K HN 0.558 nan 8.250 nan 0.000 0.484 486 Q N 1.240 121.116 119.800 0.127 0.000 2.333 486 Q HA 0.248 4.589 4.340 0.002 0.000 0.266 486 Q C -0.228 175.909 176.000 0.227 0.000 1.053 486 Q CA -0.951 54.976 55.803 0.207 0.000 0.890 486 Q CB 0.666 29.565 28.738 0.270 0.000 1.337 486 Q HN 0.460 nan 8.270 nan 0.000 0.474 487 N N 2.696 121.577 118.700 0.302 0.000 2.412 487 N HA 0.101 4.842 4.740 0.002 0.000 0.254 487 N C -2.182 173.588 175.510 0.433 0.000 1.232 487 N CA -0.454 52.777 53.050 0.301 0.000 0.880 487 N CB 0.057 38.711 38.487 0.279 0.000 1.076 487 N HN 0.251 nan 8.380 nan 0.000 0.458 488 P HA 0.079 nan 4.420 nan 0.000 0.276 488 P C -0.352 176.935 177.300 -0.021 0.000 1.252 488 P CA -0.430 62.750 63.100 0.133 0.000 0.802 488 P CB 0.902 32.607 31.700 0.009 0.000 1.035 489 N N -0.384 118.091 118.700 -0.375 0.000 2.671 489 N HA 0.203 4.944 4.740 0.002 0.000 0.303 489 N C 0.004 175.278 175.510 -0.394 0.000 1.277 489 N CA -0.664 51.967 53.050 -0.699 0.000 0.933 489 N CB 0.578 38.106 38.487 -1.599 0.000 1.190 489 N HN 0.238 nan 8.380 nan 0.000 0.600 490 S N -0.979 114.497 115.700 -0.372 0.000 2.603 490 S HA 0.379 4.851 4.470 0.002 0.000 0.232 490 S C 0.379 174.861 174.600 -0.195 0.000 1.016 490 S CA -0.407 57.542 58.200 -0.418 0.000 0.976 490 S CB 0.038 63.057 63.200 -0.301 0.000 0.921 490 S HN 0.490 nan 8.310 nan 0.000 0.516 491 I N 2.146 122.656 120.570 -0.101 0.000 2.354 491 I HA 0.316 4.487 4.170 0.002 0.000 0.292 491 I C -0.331 175.730 176.117 -0.093 0.000 0.989 491 I CA -0.909 60.342 61.300 -0.082 0.000 1.188 491 I CB 1.723 39.617 38.000 -0.176 0.000 1.342 491 I HN -0.149 nan 8.210 nan 0.000 0.457 492 V N 7.209 127.053 119.914 -0.118 0.000 2.585 492 V HA 0.134 4.255 4.120 0.002 0.000 0.296 492 V C 0.398 176.223 176.094 -0.448 0.000 1.035 492 V CA -0.091 62.041 62.300 -0.280 0.000 1.084 492 V CB 0.111 31.838 31.823 -0.160 0.000 0.953 492 V HN 0.601 nan 8.190 nan 0.000 0.483 493 R N 4.503 124.808 120.500 -0.324 0.000 2.415 493 R HA 0.454 4.795 4.340 0.002 0.000 0.292 493 R C -0.322 175.897 176.300 -0.134 0.000 1.295 493 R CA -0.177 55.777 56.100 -0.245 0.000 1.137 493 R CB 1.245 31.429 30.300 -0.193 0.000 1.135 493 R HN 0.657 nan 8.270 nan 0.000 0.560 494 V N -0.910 118.952 119.914 -0.085 0.000 6.168 494 V HA 0.469 4.590 4.120 0.002 0.000 0.275 494 V C 0.276 176.351 176.094 -0.033 0.000 1.598 494 V CA -0.914 61.402 62.300 0.027 0.000 0.646 494 V CB -0.233 31.628 31.823 0.064 0.000 1.463 494 V HN 0.407 nan 8.190 nan 0.000 0.394 495 Y N 2.105 122.157 120.300 -0.414 0.000 2.881 495 Y HA 0.110 4.662 4.550 0.002 0.000 0.335 495 Y C 1.023 176.599 175.900 -0.539 0.000 1.263 495 Y CA 1.501 59.043 58.100 -0.930 0.000 1.572 495 Y CB -1.389 36.242 38.460 -1.382 0.000 1.237 495 Y HN 0.823 nan 8.280 nan 0.000 0.568 496 H N 0.994 119.555 119.070 -0.848 0.000 3.071 496 H HA -0.163 4.394 4.556 0.002 0.000 0.243 496 H C 0.203 175.320 175.328 -0.351 0.000 1.221 496 H CA 0.207 55.854 56.048 -0.668 0.000 1.109 496 H CB -1.468 28.007 29.762 -0.480 0.000 1.236 496 H HN 0.561 nan 8.280 nan 0.000 0.332 497 S N 0.673 116.266 115.700 -0.178 0.000 2.646 497 S HA 0.689 5.160 4.470 0.002 0.000 0.276 497 S C 0.208 174.745 174.600 -0.105 0.000 1.222 497 S CA -0.419 57.712 58.200 -0.114 0.000 1.014 497 S CB 2.356 65.499 63.200 -0.095 0.000 0.991 497 S HN 0.424 nan 8.310 nan 0.000 0.533 498 I N -2.034 118.507 120.570 -0.048 0.000 2.969 498 I HA 0.864 5.035 4.170 0.002 0.000 0.307 498 I C -0.649 175.515 176.117 0.077 0.000 1.149 498 I CA -0.781 60.514 61.300 -0.007 0.000 1.008 498 I CB 2.057 40.053 38.000 -0.007 0.000 1.232 498 I HN 0.541 nan 8.210 nan 0.000 0.435 499 S N 3.788 119.557 115.700 0.116 0.000 2.541 499 S HA 0.879 5.350 4.470 0.002 0.000 0.280 499 S C -0.956 173.774 174.600 0.216 0.000 1.112 499 S CA -0.592 57.732 58.200 0.207 0.000 0.925 499 S CB 1.473 64.813 63.200 0.234 0.000 1.067 499 S HN 0.592 nan 8.310 nan 0.000 0.479 500 L N 2.265 123.658 121.223 0.284 0.000 2.409 500 L HA 0.578 4.919 4.340 0.002 0.000 0.262 500 L C -1.113 175.900 176.870 0.238 0.000 0.992 500 L CA -0.974 54.005 54.840 0.232 0.000 0.817 500 L CB 1.670 43.849 42.059 0.199 0.000 1.350 500 L HN 0.458 nan 8.230 nan 0.000 0.411 501 L N 2.726 124.059 121.223 0.183 0.000 2.367 501 L HA 0.376 4.717 4.340 0.002 0.000 0.275 501 L C -0.552 176.426 176.870 0.181 0.000 1.129 501 L CA 0.454 55.390 54.840 0.161 0.000 0.839 501 L CB 0.552 42.681 42.059 0.116 0.000 1.133 501 L HN 0.379 nan 8.230 nan 0.000 0.453 502 L N 7.181 128.527 121.223 0.204 0.000 2.399 502 L HA 0.361 4.702 4.340 0.002 0.000 0.266 502 L C -1.269 175.742 176.870 0.235 0.000 1.114 502 L CA -1.640 53.331 54.840 0.219 0.000 0.804 502 L CB 0.709 42.921 42.059 0.254 0.000 1.146 502 L HN 0.521 nan 8.230 nan 0.000 0.451 503 P HA -0.175 nan 4.420 nan 0.000 0.219 503 P C 0.549 177.986 177.300 0.229 0.000 1.146 503 P CA 1.042 64.244 63.100 0.170 0.000 0.808 503 P CB -0.014 31.753 31.700 0.112 0.000 0.779 504 D N -1.781 118.743 120.400 0.206 0.000 2.349 504 D HA 0.058 4.699 4.640 0.002 0.000 0.224 504 D C 1.416 177.855 176.300 0.232 0.000 1.029 504 D CA 0.662 54.777 54.000 0.190 0.000 0.879 504 D CB -0.934 39.933 40.800 0.112 0.000 0.906 504 D HN 0.223 nan 8.370 nan 0.000 0.528 505 G N 0.115 109.077 108.800 0.270 0.000 2.176 505 G HA2 -0.291 3.670 3.960 0.002 0.000 0.253 505 G HA3 -0.291 3.670 3.960 0.002 0.000 0.253 505 G C 0.344 175.302 174.900 0.096 0.000 0.979 505 G CA -0.006 45.153 45.100 0.099 0.000 0.641 505 G HN 0.456 nan 8.290 nan 0.000 0.530 506 R N -0.605 119.941 120.500 0.077 0.000 2.553 506 R HA 0.637 4.978 4.340 0.002 0.000 0.263 506 R C -0.144 176.181 176.300 0.042 0.000 1.066 506 R CA -0.511 55.585 56.100 -0.007 0.000 1.135 506 R CB 1.434 31.741 30.300 0.012 0.000 1.148 506 R HN 0.089 nan 8.270 nan 0.000 0.558 507 V N 1.925 121.821 119.914 -0.030 0.000 2.513 507 V HA 0.294 4.415 4.120 0.002 0.000 0.299 507 V C -0.781 175.412 176.094 0.166 0.000 1.035 507 V CA -0.641 61.682 62.300 0.040 0.000 0.889 507 V CB 1.393 33.105 31.823 -0.185 0.000 0.988 507 V HN 0.518 nan 8.190 nan 0.000 0.440 508 F N 5.379 125.398 119.950 0.115 0.000 2.388 508 F HA 0.488 5.014 4.527 -0.002 0.000 0.358 508 F C 0.099 175.995 175.800 0.160 0.000 1.122 508 F CA -0.148 57.929 58.000 0.128 0.000 1.056 508 F CB 0.688 39.783 39.000 0.158 0.000 1.155 508 F HN 0.578 nan 8.300 nan 0.000 0.461 509 N N 4.613 123.256 118.700 -0.094 0.000 2.399 509 N HA 0.690 5.431 4.740 0.002 0.000 0.284 509 N C -0.865 174.537 175.510 -0.181 0.000 1.025 509 N CA -0.294 52.784 53.050 0.048 0.000 0.885 509 N CB 1.772 40.475 38.487 0.360 0.000 1.339 509 N HN 0.870 nan 8.380 nan 0.000 0.487 510 G N 0.951 109.677 108.800 -0.124 0.000 2.663 510 G HA2 0.678 4.639 3.960 0.002 0.000 0.299 510 G HA3 0.678 4.639 3.960 0.002 0.000 0.299 510 G C -0.128 174.729 174.900 -0.071 0.000 1.372 510 G CA -0.011 44.997 45.100 -0.154 0.000 0.781 510 G HN 0.898 nan 8.290 nan 0.000 0.491 511 G N -1.373 107.397 108.800 -0.049 0.000 2.593 511 G HA2 0.514 4.475 3.960 0.002 0.000 0.237 511 G HA3 0.514 4.475 3.960 0.002 0.000 0.237 511 G C 0.946 175.827 174.900 -0.032 0.000 1.312 511 G CA 1.152 46.231 45.100 -0.036 0.000 0.896 511 G HN 3.036 nan 8.290 nan 0.000 0.574 512 G N -2.269 106.521 108.800 -0.016 0.000 3.067 512 G HA2 0.550 4.511 3.960 0.002 0.000 0.686 512 G HA3 0.550 4.511 3.960 0.002 0.000 0.686 512 G C 0.981 175.958 174.900 0.128 0.000 1.119 512 G CA 0.539 45.664 45.100 0.042 0.000 0.790 512 G HN 3.208 nan 8.290 nan 0.000 0.605 513 G N 0.635 109.539 108.800 0.174 0.000 3.035 513 G HA2 0.305 4.266 3.960 0.002 0.000 0.242 513 G HA3 0.305 4.266 3.960 0.002 0.000 0.242 513 G C 0.592 175.758 174.900 0.443 0.000 1.524 513 G CA 0.913 46.173 45.100 0.266 0.000 1.038 513 G HN 2.640 nan 8.290 nan 0.000 0.561 514 L N -0.736 120.579 121.223 0.153 0.000 3.472 514 L HA -0.158 4.183 4.340 0.002 0.000 0.485 514 L C 1.050 177.985 176.870 0.109 0.000 1.312 514 L CA 1.611 56.513 54.840 0.105 0.000 0.869 514 L CB -1.420 40.696 42.059 0.095 0.000 1.687 514 L HN 1.934 nan 8.230 nan 0.000 0.853 515 C N -1.205 118.048 119.300 -0.077 0.000 2.859 515 C HA 0.811 5.272 4.460 0.002 0.000 0.256 515 C C 1.910 176.735 174.990 -0.275 0.000 1.660 515 C CA -0.296 58.523 59.018 -0.332 0.000 1.755 515 C CB -0.636 26.839 27.740 -0.442 0.000 3.127 515 C HN 1.734 nan 8.230 nan 0.000 0.494 516 G N 3.220 111.890 108.800 -0.217 0.000 2.602 516 G HA2 -0.402 3.559 3.960 0.002 0.000 0.310 516 G HA3 -0.402 3.559 3.960 0.002 0.000 0.310 516 G C 0.621 175.444 174.900 -0.129 0.000 1.183 516 G CA 1.298 46.288 45.100 -0.183 0.000 0.979 516 G HN 0.725 nan 8.290 nan 0.000 0.545 517 D N 1.630 121.955 120.400 -0.126 0.000 2.363 517 D HA 0.096 4.737 4.640 0.002 0.000 0.226 517 D C 1.693 177.944 176.300 -0.081 0.000 1.020 517 D CA 1.046 54.992 54.000 -0.089 0.000 0.892 517 D CB -1.573 39.179 40.800 -0.081 0.000 0.900 517 D HN 1.106 nan 8.370 nan 0.000 0.531 518 C N 0.269 119.510 119.300 -0.100 0.000 2.741 518 C HA 0.402 4.863 4.460 0.002 0.000 0.403 518 C C 1.996 176.940 174.990 -0.076 0.000 1.282 518 C CA 0.108 59.079 59.018 -0.079 0.000 2.053 518 C CB 0.049 27.744 27.740 -0.076 0.000 2.731 518 C HN 0.393 nan 8.230 nan 0.000 0.680 519 T N -2.506 112.001 114.554 -0.077 0.000 3.107 519 T HA 0.057 4.408 4.350 0.002 0.000 0.249 519 T C 0.949 175.537 174.700 -0.188 0.000 1.096 519 T CA 0.762 62.792 62.100 -0.117 0.000 1.012 519 T CB -0.795 68.009 68.868 -0.106 0.000 0.977 519 T HN 1.022 nan 8.240 nan 0.000 0.527 520 T N -0.464 114.001 114.554 -0.149 0.000 3.186 520 T HA 0.234 4.585 4.350 0.002 0.000 0.257 520 T C 0.332 174.861 174.700 -0.284 0.000 1.029 520 T CA -0.745 61.247 62.100 -0.179 0.000 0.916 520 T CB -0.377 68.498 68.868 0.011 0.000 1.041 520 T HN 0.138 nan 8.240 nan 0.000 0.562 521 N N 3.181 121.686 118.700 -0.326 0.000 2.475 521 N HA 0.088 4.829 4.740 0.002 0.000 0.267 521 N C -0.603 174.525 175.510 -0.636 0.000 1.169 521 N CA 0.103 52.890 53.050 -0.437 0.000 0.947 521 N CB 0.334 38.508 38.487 -0.521 0.000 1.061 521 N HN 0.497 nan 8.380 nan 0.000 0.466 522 H N 2.583 121.463 119.070 -0.317 0.000 2.638 522 H HA 0.182 4.739 4.556 0.002 0.000 0.303 522 H C -0.120 175.090 175.328 -0.197 0.000 1.034 522 H CA -0.359 55.579 56.048 -0.183 0.000 1.225 522 H CB 0.333 30.031 29.762 -0.106 0.000 1.394 522 H HN 0.426 nan 8.280 nan 0.000 0.477 523 F N 3.142 123.155 119.950 0.105 0.000 2.833 523 F HA 0.076 4.603 4.527 0.001 0.000 0.327 523 F C 0.202 176.101 175.800 0.165 0.000 1.184 523 F CA -0.393 57.687 58.000 0.133 0.000 1.328 523 F CB -0.152 38.942 39.000 0.157 0.000 1.440 523 F HN 0.543 nan 8.300 nan 0.000 0.569 524 D N -0.474 120.058 120.400 0.219 0.000 2.692 524 D HA 0.737 5.378 4.640 0.002 0.000 0.290 524 D C -1.256 175.031 176.300 -0.021 0.000 1.281 524 D CA -0.960 53.120 54.000 0.135 0.000 0.804 524 D CB 1.209 42.108 40.800 0.167 0.000 1.331 524 D HN 0.033 nan 8.370 nan 0.000 0.432 525 A N -0.590 122.130 122.820 -0.167 0.000 2.569 525 A HA 0.775 5.097 4.320 0.002 0.000 0.290 525 A C -1.390 175.985 177.584 -0.349 0.000 1.136 525 A CA -0.753 51.021 52.037 -0.438 0.000 0.710 525 A CB 1.759 20.067 19.000 -1.152 0.000 1.303 525 A HN 0.488 nan 8.150 nan 0.000 0.413 526 Q N 0.070 119.705 119.800 -0.276 0.000 2.451 526 Q HA 0.544 4.885 4.340 0.002 0.000 0.281 526 Q C -1.275 174.741 176.000 0.028 0.000 1.099 526 Q CA -0.977 54.812 55.803 -0.025 0.000 0.806 526 Q CB 2.258 31.140 28.738 0.240 0.000 1.419 526 Q HN 0.584 nan 8.270 nan 0.000 0.427 527 I N 1.642 122.262 120.570 0.083 0.000 2.365 527 I HA 0.286 4.457 4.170 0.002 0.000 0.291 527 I C -0.498 175.621 176.117 0.005 0.000 1.004 527 I CA -0.321 61.012 61.300 0.054 0.000 1.311 527 I CB 0.198 38.228 38.000 0.050 0.000 1.401 527 I HN 0.538 nan 8.210 nan 0.000 0.491 528 F N 5.364 125.040 119.950 -0.456 0.000 2.427 528 F HA 0.437 4.968 4.527 0.007 0.000 0.346 528 F C 0.152 175.602 175.800 -0.584 0.000 1.120 528 F CA -0.261 57.187 58.000 -0.919 0.000 1.033 528 F CB 1.233 39.237 39.000 -1.659 0.000 1.126 528 F HN 0.379 nan 8.300 nan 0.000 0.462 529 T N 8.291 122.187 114.554 -1.097 0.000 2.762 529 T HA 0.320 4.671 4.350 0.002 0.000 0.303 529 T C -2.554 171.417 174.700 -1.215 0.000 0.977 529 T CA -1.265 60.332 62.100 -0.840 0.000 0.961 529 T CB 0.832 69.465 68.868 -0.391 0.000 0.944 529 T HN 0.335 nan 8.240 nan 0.000 0.481 530 P HA 0.116 nan 4.420 nan 0.000 0.269 530 P C 0.914 177.818 177.300 -0.661 0.000 1.215 530 P CA -0.277 62.241 63.100 -0.970 0.000 0.780 530 P CB 0.577 31.442 31.700 -1.393 0.000 0.898 531 N N 1.803 120.277 118.700 -0.376 0.000 2.258 531 N HA -0.244 4.497 4.740 0.002 0.000 0.187 531 N C 1.377 176.848 175.510 -0.066 0.000 1.012 531 N CA 1.531 54.521 53.050 -0.099 0.000 0.870 531 N CB -0.734 37.705 38.487 -0.080 0.000 0.977 531 N HN 0.490 nan 8.380 nan 0.000 0.434 532 Y N -1.013 119.242 120.300 -0.076 0.000 2.574 532 Y HA 0.121 4.669 4.550 -0.004 0.000 0.294 532 Y C 1.361 177.177 175.900 -0.139 0.000 1.142 532 Y CA 0.357 58.398 58.100 -0.100 0.000 1.314 532 Y CB -0.848 37.542 38.460 -0.117 0.000 0.991 532 Y HN 0.076 nan 8.280 nan 0.000 0.555 533 L N -0.841 120.365 121.223 -0.028 0.000 2.592 533 L HA 0.149 4.490 4.340 0.002 0.000 0.227 533 L C -0.580 176.038 176.870 -0.420 0.000 1.127 533 L CA -0.059 54.654 54.840 -0.212 0.000 0.884 533 L CB -0.176 41.659 42.059 -0.373 0.000 1.065 533 L HN 0.103 nan 8.230 nan 0.000 0.457 534 Y N 0.392 120.655 120.300 -0.061 0.000 2.377 534 Y HA 0.257 4.815 4.550 0.013 0.000 0.339 534 Y C 0.518 176.397 175.900 -0.035 0.000 1.011 534 Y CA -1.736 56.329 58.100 -0.059 0.000 1.093 534 Y CB 0.958 39.363 38.460 -0.092 0.000 1.201 534 Y HN 0.066 nan 8.280 nan 0.000 0.455 535 N N -0.826 117.955 118.700 0.134 0.000 2.364 535 N HA 0.119 4.860 4.740 0.002 0.000 0.264 535 N C 0.654 176.204 175.510 0.067 0.000 1.263 535 N CA -0.286 52.809 53.050 0.074 0.000 0.959 535 N CB 0.330 38.846 38.487 0.048 0.000 1.204 535 N HN 0.448 nan 8.380 nan 0.000 0.550 536 S N -0.816 114.905 115.700 0.036 0.000 2.419 536 S HA -0.127 4.344 4.470 0.002 0.000 0.235 536 S C 1.077 175.685 174.600 0.015 0.000 1.019 536 S CA 1.093 59.305 58.200 0.020 0.000 0.982 536 S CB -0.806 62.402 63.200 0.013 0.000 0.789 536 S HN 0.638 nan 8.310 nan 0.000 0.490 537 N N 0.200 118.915 118.700 0.023 0.000 2.457 537 N HA 0.140 4.881 4.740 0.002 0.000 0.180 537 N C 1.216 176.732 175.510 0.010 0.000 1.050 537 N CA 0.509 53.569 53.050 0.017 0.000 0.906 537 N CB 0.093 38.594 38.487 0.023 0.000 0.968 537 N HN 0.462 nan 8.380 nan 0.000 0.445 538 G N -0.060 108.752 108.800 0.020 0.000 2.157 538 G HA2 -0.237 3.724 3.960 0.002 0.000 0.239 538 G HA3 -0.237 3.724 3.960 0.002 0.000 0.239 538 G C -0.292 174.654 174.900 0.076 0.000 0.982 538 G CA -0.408 44.673 45.100 -0.032 0.000 0.650 538 G HN 0.234 nan 8.290 nan 0.000 0.527 539 N N -0.105 118.678 118.700 0.138 0.000 2.476 539 N HA 0.489 5.231 4.740 0.002 0.000 0.275 539 N C 0.670 176.314 175.510 0.224 0.000 1.190 539 N CA -0.503 52.649 53.050 0.170 0.000 0.977 539 N CB 0.838 39.375 38.487 0.084 0.000 1.200 539 N HN 0.203 nan 8.380 nan 0.000 0.515 540 L N 1.557 122.850 121.223 0.116 0.000 2.477 540 L HA 0.096 4.437 4.340 0.002 0.000 0.272 540 L C 1.037 177.882 176.870 -0.041 0.000 1.157 540 L CA -0.323 54.475 54.840 -0.070 0.000 0.889 540 L CB 0.104 42.094 42.059 -0.116 0.000 1.158 540 L HN 0.510 nan 8.230 nan 0.000 0.473 541 A N 3.425 126.205 122.820 -0.066 0.000 2.466 541 A HA 0.216 4.537 4.320 0.002 0.000 0.238 541 A C 0.499 178.066 177.584 -0.029 0.000 1.074 541 A CA -0.260 51.761 52.037 -0.027 0.000 0.774 541 A CB -0.006 18.981 19.000 -0.021 0.000 1.015 541 A HN 0.691 nan 8.150 nan 0.000 0.498 542 T N 2.985 117.532 114.554 -0.011 0.000 2.853 542 T HA 0.245 4.596 4.350 0.002 0.000 0.298 542 T C 0.399 175.092 174.700 -0.011 0.000 0.978 542 T CA 0.474 62.570 62.100 -0.008 0.000 1.152 542 T CB -0.076 68.791 68.868 -0.000 0.000 0.914 542 T HN 0.573 nan 8.240 nan 0.000 0.539 543 R N 4.231 124.725 120.500 -0.010 0.000 2.407 543 R HA 0.372 4.713 4.340 0.002 0.000 0.303 543 R C -2.316 173.983 176.300 -0.001 0.000 0.981 543 R CA -2.003 54.092 56.100 -0.008 0.000 0.905 543 R CB 0.823 31.121 30.300 -0.004 0.000 1.099 543 R HN 0.435 nan 8.270 nan 0.000 0.459 544 P HA 0.087 nan 4.420 nan 0.000 0.272 544 P C -1.051 176.254 177.300 0.008 0.000 1.223 544 P CA -0.144 62.957 63.100 0.002 0.000 0.784 544 P CB 0.887 32.581 31.700 -0.010 0.000 0.923 545 K N 1.587 121.996 120.400 0.015 0.000 2.316 545 K HA 0.519 4.840 4.320 0.002 0.000 0.251 545 K C -0.288 176.328 176.600 0.026 0.000 0.934 545 K CA -0.838 55.459 56.287 0.017 0.000 0.802 545 K CB 1.751 34.261 32.500 0.016 0.000 1.171 545 K HN 0.386 nan 8.250 nan 0.000 0.426 546 I N 3.077 123.661 120.570 0.022 0.000 2.281 546 I HA 0.002 4.173 4.170 0.002 0.000 0.293 546 I C 1.445 177.580 176.117 0.031 0.000 1.085 546 I CA -0.102 61.218 61.300 0.035 0.000 1.257 546 I CB 0.866 38.883 38.000 0.028 0.000 1.430 546 I HN 0.804 nan 8.210 nan 0.000 0.489 547 T N 2.769 117.346 114.554 0.037 0.000 3.054 547 T HA 0.119 4.470 4.350 0.002 0.000 0.259 547 T C 0.893 175.607 174.700 0.024 0.000 1.092 547 T CA 0.255 62.371 62.100 0.027 0.000 1.121 547 T CB 0.304 69.189 68.868 0.028 0.000 0.912 547 T HN 0.508 nan 8.240 nan 0.000 0.489 548 R N 1.064 121.582 120.500 0.030 0.000 2.594 548 R HA 0.422 4.763 4.340 0.002 0.000 0.265 548 R C -1.706 174.611 176.300 0.028 0.000 1.070 548 R CA -0.327 55.786 56.100 0.022 0.000 0.909 548 R CB 2.059 32.367 30.300 0.014 0.000 1.243 548 R HN 0.359 nan 8.270 nan 0.000 0.455 549 T N -0.588 113.978 114.554 0.019 0.000 2.848 549 T HA 0.180 4.531 4.350 0.002 0.000 0.285 549 T C 1.178 175.873 174.700 -0.008 0.000 0.995 549 T CA -0.375 61.734 62.100 0.015 0.000 0.970 549 T CB 1.767 70.653 68.868 0.030 0.000 0.976 549 T HN 0.587 nan 8.240 nan 0.000 0.441 550 S N 2.084 117.764 115.700 -0.034 0.000 2.402 550 S HA 0.016 4.487 4.470 0.002 0.000 0.233 550 S C 0.976 175.554 174.600 -0.036 0.000 1.030 550 S CA 1.152 59.325 58.200 -0.045 0.000 1.003 550 S CB -0.516 62.639 63.200 -0.075 0.000 0.813 550 S HN 1.151 nan 8.310 nan 0.000 0.477 551 T N -0.989 113.546 114.554 -0.031 0.000 2.786 551 T HA 0.379 4.730 4.350 0.002 0.000 0.316 551 T C -1.122 173.584 174.700 0.009 0.000 1.503 551 T CA -0.686 61.404 62.100 -0.016 0.000 1.019 551 T CB 1.683 70.534 68.868 -0.029 0.000 1.415 551 T HN 0.136 nan 8.240 nan 0.000 0.496 552 Q N 0.751 120.566 119.800 0.024 0.000 2.247 552 Q HA 0.400 4.741 4.340 0.002 0.000 0.211 552 Q C -0.266 175.772 176.000 0.063 0.000 0.861 552 Q CA -0.172 55.664 55.803 0.055 0.000 0.949 552 Q CB 1.086 29.860 28.738 0.059 0.000 1.115 552 Q HN 0.367 nan 8.270 nan 0.000 0.507 553 S N 0.278 115.997 115.700 0.031 0.000 2.668 553 S HA 0.542 5.013 4.470 0.002 0.000 0.277 553 S C -1.717 172.881 174.600 -0.004 0.000 1.170 553 S CA -0.563 57.649 58.200 0.019 0.000 0.994 553 S CB 1.731 64.936 63.200 0.008 0.000 1.051 553 S HN 0.053 nan 8.310 nan 0.000 0.484 554 V N 5.342 125.251 119.914 -0.008 0.000 2.925 554 V HA 0.622 4.743 4.120 0.002 0.000 0.311 554 V C -1.111 174.963 176.094 -0.033 0.000 1.104 554 V CA -0.821 61.461 62.300 -0.029 0.000 0.954 554 V CB 2.148 33.949 31.823 -0.037 0.000 1.022 554 V HN 0.911 nan 8.190 nan 0.000 0.427 555 K N 3.457 123.834 120.400 -0.039 0.000 2.154 555 K HA 0.530 4.851 4.320 0.002 0.000 0.264 555 K C -0.343 176.228 176.600 -0.049 0.000 1.008 555 K CA -0.465 55.799 56.287 -0.038 0.000 0.937 555 K CB 1.611 34.091 32.500 -0.034 0.000 1.002 555 K HN 0.763 nan 8.250 nan 0.000 0.469 556 V N -0.046 119.839 119.914 -0.049 0.000 2.644 556 V HA 0.146 4.267 4.120 0.002 0.000 0.305 556 V C 1.095 177.158 176.094 -0.052 0.000 1.053 556 V CA 0.775 63.039 62.300 -0.060 0.000 1.186 556 V CB -0.312 31.480 31.823 -0.051 0.000 0.895 556 V HN 1.064 nan 8.190 nan 0.000 0.490 557 G N 2.453 111.221 108.800 -0.053 0.000 2.199 557 G HA2 -0.102 3.859 3.960 0.002 0.000 0.254 557 G HA3 -0.102 3.859 3.960 0.002 0.000 0.254 557 G C 0.702 175.576 174.900 -0.042 0.000 0.982 557 G CA 0.141 45.216 45.100 -0.042 0.000 0.632 557 G HN 1.940 nan 8.290 nan 0.000 0.529 558 G N -0.384 108.386 108.800 -0.050 0.000 2.539 558 G HA2 0.561 4.522 3.960 0.002 0.000 0.258 558 G HA3 0.561 4.522 3.960 0.002 0.000 0.258 558 G C 0.076 174.923 174.900 -0.089 0.000 1.202 558 G CA -0.522 44.540 45.100 -0.063 0.000 0.851 558 G HN 0.425 nan 8.290 nan 0.000 0.556 559 R N -0.159 120.269 120.500 -0.121 0.000 2.474 559 R HA 0.499 4.840 4.340 0.002 0.000 0.295 559 R C -0.578 175.545 176.300 -0.294 0.000 0.980 559 R CA -0.534 55.446 56.100 -0.201 0.000 0.934 559 R CB 1.771 31.979 30.300 -0.152 0.000 1.101 559 R HN 0.379 nan 8.270 nan 0.000 0.469 560 I N 1.079 121.309 120.570 -0.568 0.000 2.545 560 I HA 0.268 4.439 4.170 0.002 0.000 0.292 560 I C -0.246 175.529 176.117 -0.570 0.000 1.040 560 I CA -0.655 60.301 61.300 -0.574 0.000 1.068 560 I CB 2.531 40.148 38.000 -0.638 0.000 1.251 560 I HN 0.397 nan 8.210 nan 0.000 0.424 561 T N 6.730 121.118 114.554 -0.276 0.000 2.797 561 T HA 0.688 5.039 4.350 0.002 0.000 0.279 561 T C -0.311 174.353 174.700 -0.061 0.000 0.991 561 T CA -0.385 61.626 62.100 -0.150 0.000 0.979 561 T CB 1.291 70.102 68.868 -0.096 0.000 0.943 561 T HN 0.493 nan 8.240 nan 0.000 0.444 562 I N -0.699 119.890 120.570 0.031 0.000 2.785 562 I HA 0.843 5.015 4.170 0.002 0.000 0.302 562 I C -0.461 175.726 176.117 0.116 0.000 1.069 562 I CA -0.843 60.510 61.300 0.088 0.000 1.045 562 I CB 2.427 40.520 38.000 0.155 0.000 1.236 562 I HN 0.353 nan 8.210 nan 0.000 0.429 563 S N 1.705 117.460 115.700 0.092 0.000 2.501 563 S HA 0.762 5.233 4.470 0.002 0.000 0.301 563 S C -0.203 174.466 174.600 0.115 0.000 1.096 563 S CA -0.553 57.706 58.200 0.098 0.000 1.063 563 S CB 1.895 65.122 63.200 0.045 0.000 1.042 563 S HN 0.883 nan 8.310 nan 0.000 0.494 564 T N -1.498 113.145 114.554 0.147 0.000 2.926 564 T HA 0.461 4.813 4.350 0.002 0.000 0.289 564 T C 0.134 174.889 174.700 0.090 0.000 1.054 564 T CA -0.803 61.369 62.100 0.120 0.000 1.015 564 T CB 1.331 70.286 68.868 0.145 0.000 1.167 564 T HN 0.510 nan 8.240 nan 0.000 0.526 565 D N -0.232 120.206 120.400 0.063 0.000 2.349 565 D HA 0.116 4.757 4.640 0.002 0.000 0.215 565 D C 0.537 176.866 176.300 0.050 0.000 1.016 565 D CA -0.056 53.972 54.000 0.046 0.000 0.870 565 D CB -0.123 40.695 40.800 0.031 0.000 0.917 565 D HN 0.658 nan 8.370 nan 0.000 0.524 566 S N -0.972 114.767 115.700 0.066 0.000 2.596 566 S HA 0.458 4.929 4.470 0.002 0.000 0.270 566 S C -0.465 174.198 174.600 0.106 0.000 1.155 566 S CA -0.751 57.489 58.200 0.066 0.000 0.827 566 S CB 1.289 64.512 63.200 0.038 0.000 1.130 566 S HN 0.195 nan 8.310 nan 0.000 0.467 567 S N 1.107 116.874 115.700 0.112 0.000 2.537 567 S HA 0.425 4.896 4.470 0.002 0.000 0.286 567 S C 0.294 174.917 174.600 0.038 0.000 1.299 567 S CA -0.689 57.610 58.200 0.164 0.000 1.067 567 S CB -0.838 62.443 63.200 0.136 0.000 0.864 567 S HN 1.139 nan 8.310 nan 0.000 0.494 568 I N 0.372 120.878 120.570 -0.107 0.000 2.493 568 I HA 0.574 4.745 4.170 0.002 0.000 0.298 568 I C 0.625 176.595 176.117 -0.245 0.000 0.998 568 I CA -0.823 60.326 61.300 -0.250 0.000 1.137 568 I CB 2.253 40.019 38.000 -0.390 0.000 1.310 568 I HN 0.710 nan 8.210 nan 0.000 0.445 569 S N 3.323 118.935 115.700 -0.147 0.000 2.497 569 S HA 0.351 4.822 4.470 0.002 0.000 0.218 569 S C 0.514 175.052 174.600 -0.102 0.000 1.023 569 S CA -0.093 58.052 58.200 -0.092 0.000 0.913 569 S CB 0.031 63.201 63.200 -0.050 0.000 0.800 569 S HN 0.759 nan 8.310 nan 0.000 0.505 570 K N 0.134 120.456 120.400 -0.131 0.000 2.532 570 K HA 0.780 5.101 4.320 0.002 0.000 0.265 570 K C -1.753 174.765 176.600 -0.137 0.000 0.948 570 K CA -0.531 55.689 56.287 -0.112 0.000 0.842 570 K CB 2.473 34.919 32.500 -0.091 0.000 1.392 570 K HN 0.226 nan 8.250 nan 0.000 0.436 571 A N 0.723 123.464 122.820 -0.132 0.000 2.594 571 A HA 0.755 5.076 4.320 0.002 0.000 0.295 571 A C -1.373 176.122 177.584 -0.149 0.000 1.071 571 A CA -0.658 51.287 52.037 -0.154 0.000 0.685 571 A CB 1.720 20.584 19.000 -0.227 0.000 1.285 571 A HN 0.661 nan 8.150 nan 0.000 0.405 572 S N 0.688 116.328 115.700 -0.100 0.000 2.556 572 S HA 0.786 5.257 4.470 0.002 0.000 0.271 572 S C -1.227 173.381 174.600 0.013 0.000 1.135 572 S CA -0.673 57.501 58.200 -0.044 0.000 0.858 572 S CB 1.147 64.364 63.200 0.027 0.000 1.114 572 S HN 0.782 nan 8.310 nan 0.000 0.468 573 L N 2.222 123.470 121.223 0.042 0.000 2.307 573 L HA 0.609 4.950 4.340 0.002 0.000 0.284 573 L C -0.909 176.259 176.870 0.495 0.000 1.023 573 L CA -0.764 54.203 54.840 0.211 0.000 0.810 573 L CB 1.339 43.420 42.059 0.035 0.000 1.231 573 L HN 0.656 nan 8.230 nan 0.000 0.423 574 I N 3.822 124.681 120.570 0.482 0.000 2.418 574 I HA 0.359 4.530 4.170 0.002 0.000 0.287 574 I C 0.057 176.202 176.117 0.046 0.000 1.008 574 I CA -0.630 60.857 61.300 0.312 0.000 1.104 574 I CB 1.985 40.127 38.000 0.237 0.000 1.264 574 I HN 0.582 nan 8.210 nan 0.000 0.438 575 R N 5.071 125.312 120.500 -0.432 0.000 2.491 575 R HA 0.206 4.547 4.340 0.002 0.000 0.283 575 R C -0.970 175.129 176.300 -0.335 0.000 1.072 575 R CA -0.173 55.350 56.100 -0.961 0.000 1.048 575 R CB 0.523 29.896 30.300 -1.545 0.000 0.983 575 R HN 0.382 nan 8.270 nan 0.000 0.450 576 Y N 1.372 121.552 120.300 -0.201 0.000 2.597 576 Y HA 0.118 4.667 4.550 -0.002 0.000 0.336 576 Y C 1.283 177.167 175.900 -0.026 0.000 1.216 576 Y CA 1.270 59.349 58.100 -0.036 0.000 1.463 576 Y CB 0.862 39.330 38.460 0.013 0.000 1.303 576 Y HN 0.718 nan 8.280 nan 0.000 0.576 577 G N 0.784 109.691 108.800 0.178 0.000 2.488 577 G HA2 0.622 4.583 3.960 0.002 0.000 0.318 577 G HA3 0.622 4.583 3.960 0.002 0.000 0.318 577 G C -0.916 174.059 174.900 0.124 0.000 1.188 577 G CA -0.544 44.628 45.100 0.121 0.000 0.944 577 G HN 0.644 nan 8.290 nan 0.000 0.495 578 T N -3.295 111.316 114.554 0.095 0.000 2.900 578 T HA 0.775 5.126 4.350 0.002 0.000 0.303 578 T C -0.743 173.980 174.700 0.039 0.000 1.142 578 T CA -0.391 61.758 62.100 0.082 0.000 1.007 578 T CB 1.985 70.927 68.868 0.124 0.000 1.156 578 T HN 1.795 nan 8.240 nan 0.000 0.490 579 A N 1.034 123.843 122.820 -0.019 0.000 2.488 579 A HA 0.863 5.184 4.320 0.002 0.000 0.295 579 A C -0.424 177.084 177.584 -0.126 0.000 1.045 579 A CA -0.700 51.308 52.037 -0.048 0.000 0.703 579 A CB 1.790 20.782 19.000 -0.014 0.000 1.271 579 A HN 1.281 nan 8.150 nan 0.000 0.400 580 T N 0.597 115.096 114.554 -0.093 0.000 3.087 580 T HA 0.500 4.851 4.350 0.002 0.000 0.351 580 T C -0.551 174.141 174.700 -0.013 0.000 1.520 580 T CA -0.062 61.983 62.100 -0.093 0.000 1.111 580 T CB 0.374 69.195 68.868 -0.080 0.000 1.353 580 T HN 1.496 nan 8.240 nan 0.000 0.481 581 H N 2.081 121.014 119.070 -0.229 0.000 2.741 581 H HA -0.224 4.333 4.556 0.002 0.000 0.305 581 H C 1.297 176.386 175.328 -0.398 0.000 1.169 581 H CA 2.672 58.524 56.048 -0.328 0.000 1.144 581 H CB -1.887 27.667 29.762 -0.347 0.000 1.397 581 H HN 1.376 nan 8.280 nan 0.000 0.409 582 T N -6.459 107.979 114.554 -0.193 0.000 6.424 582 T HA -0.255 4.096 4.350 0.002 0.000 0.279 582 T C 0.295 174.882 174.700 -0.187 0.000 2.176 582 T CA 0.715 62.686 62.100 -0.214 0.000 3.628 582 T CB -2.029 66.679 68.868 -0.267 0.000 1.165 582 T HN 0.436 nan 8.240 nan 0.000 1.080 583 V N 2.581 122.421 119.914 -0.124 0.000 2.465 583 V HA 0.734 4.855 4.120 0.002 0.000 0.279 583 V C 0.293 176.352 176.094 -0.058 0.000 1.045 583 V CA -0.225 62.030 62.300 -0.075 0.000 0.938 583 V CB 1.532 33.360 31.823 0.008 0.000 0.986 583 V HN 0.628 nan 8.190 nan 0.000 0.467 584 N N 2.679 121.338 118.700 -0.069 0.000 2.653 584 N HA 0.138 4.879 4.740 0.002 0.000 0.261 584 N C 0.418 175.899 175.510 -0.048 0.000 1.216 584 N CA 0.121 53.157 53.050 -0.024 0.000 0.784 584 N CB 1.921 40.415 38.487 0.011 0.000 1.327 584 N HN 0.712 nan 8.380 nan 0.000 0.539 585 T N -1.633 112.893 114.554 -0.048 0.000 3.086 585 T HA 0.173 4.524 4.350 0.002 0.000 0.250 585 T C 0.600 175.315 174.700 0.025 0.000 1.074 585 T CA 0.349 62.390 62.100 -0.098 0.000 0.988 585 T CB 0.375 69.193 68.868 -0.084 0.000 0.988 585 T HN 0.164 nan 8.240 nan 0.000 0.530 586 D N 1.852 122.282 120.400 0.051 0.000 2.262 586 D HA 0.019 4.660 4.640 0.002 0.000 0.212 586 D C 1.270 177.583 176.300 0.021 0.000 0.964 586 D CA 0.425 54.459 54.000 0.058 0.000 0.875 586 D CB 0.034 40.878 40.800 0.073 0.000 0.996 586 D HN 0.731 nan 8.370 nan 0.000 0.497 587 Q N 1.541 121.369 119.800 0.047 0.000 2.392 587 Q HA 0.293 4.634 4.340 0.002 0.000 0.262 587 Q C -0.097 175.955 176.000 0.088 0.000 1.003 587 Q CA -0.135 55.688 55.803 0.032 0.000 0.888 587 Q CB 0.985 29.772 28.738 0.083 0.000 1.260 587 Q HN 0.070 nan 8.270 nan 0.000 0.435 588 R N 0.024 120.549 120.500 0.042 0.000 2.765 588 R HA 0.487 4.828 4.340 0.002 0.000 0.277 588 R C -1.784 174.633 176.300 0.195 0.000 1.028 588 R CA -1.129 55.066 56.100 0.158 0.000 0.860 588 R CB 1.173 31.611 30.300 0.231 0.000 1.270 588 R HN 0.797 nan 8.270 nan 0.000 0.484 589 R N 1.643 122.303 120.500 0.268 0.000 2.621 589 R HA 0.565 4.906 4.340 0.002 0.000 0.292 589 R C -1.267 175.209 176.300 0.293 0.000 0.969 589 R CA -0.723 55.560 56.100 0.304 0.000 0.887 589 R CB 1.745 32.175 30.300 0.217 0.000 1.180 589 R HN 0.693 nan 8.270 nan 0.000 0.450 590 I N 6.119 126.861 120.570 0.287 0.000 2.355 590 I HA 0.354 4.525 4.170 0.002 0.000 0.288 590 I C -2.079 174.062 176.117 0.039 0.000 0.999 590 I CA -2.533 58.840 61.300 0.122 0.000 1.163 590 I CB 2.183 40.179 38.000 -0.006 0.000 1.316 590 I HN 0.447 nan 8.210 nan 0.000 0.454 591 P HA 0.225 nan 4.420 nan 0.000 0.276 591 P C -0.871 176.393 177.300 -0.060 0.000 1.235 591 P CA -0.121 62.972 63.100 -0.013 0.000 0.772 591 P CB 0.865 32.573 31.700 0.014 0.000 0.871 592 L N 2.883 124.033 121.223 -0.122 0.000 2.325 592 L HA 0.426 4.767 4.340 0.002 0.000 0.279 592 L C 1.075 177.903 176.870 -0.069 0.000 1.054 592 L CA -0.526 54.214 54.840 -0.167 0.000 0.804 592 L CB 1.360 43.156 42.059 -0.438 0.000 1.200 592 L HN 0.377 nan 8.230 nan 0.000 0.436 593 T N 1.382 115.937 114.554 0.000 0.000 2.743 593 T HA 0.574 4.925 4.350 0.002 0.000 0.292 593 T C -0.424 174.335 174.700 0.098 0.000 0.972 593 T CA -0.646 61.477 62.100 0.039 0.000 0.967 593 T CB 0.403 69.294 68.868 0.039 0.000 0.926 593 T HN 0.296 nan 8.240 nan 0.000 0.459 594 L N 3.565 124.846 121.223 0.095 0.000 2.307 594 L HA 0.444 4.786 4.340 0.002 0.000 0.282 594 L C 0.586 177.564 176.870 0.181 0.000 1.051 594 L CA -0.653 54.290 54.840 0.171 0.000 0.804 594 L CB 1.549 43.685 42.059 0.128 0.000 1.197 594 L HN 0.713 nan 8.230 nan 0.000 0.431 595 T N 1.841 116.515 114.554 0.199 0.000 2.749 595 T HA 0.157 4.508 4.350 0.002 0.000 0.287 595 T C -0.009 174.789 174.700 0.162 0.000 0.970 595 T CA -0.456 61.727 62.100 0.138 0.000 0.980 595 T CB 0.593 69.506 68.868 0.075 0.000 0.924 595 T HN 0.351 nan 8.240 nan 0.000 0.456 596 N N 2.816 121.584 118.700 0.113 0.000 2.402 596 N HA 0.106 4.847 4.740 0.002 0.000 0.252 596 N C 0.591 176.007 175.510 -0.158 0.000 1.118 596 N CA -0.196 52.815 53.050 -0.067 0.000 0.945 596 N CB 0.079 38.583 38.487 0.028 0.000 1.147 596 N HN 0.520 nan 8.380 nan 0.000 0.495 597 N N 2.117 120.663 118.700 -0.257 0.000 2.461 597 N HA 0.115 4.856 4.740 0.002 0.000 0.188 597 N C 0.520 175.926 175.510 -0.175 0.000 1.134 597 N CA 0.201 53.148 53.050 -0.171 0.000 0.878 597 N CB 0.105 38.504 38.487 -0.146 0.000 0.972 597 N HN 0.699 nan 8.380 nan 0.000 0.456 598 G N -0.207 108.450 108.800 -0.238 0.000 2.755 598 G HA2 0.030 3.991 3.960 0.002 0.000 0.686 598 G HA3 0.030 3.991 3.960 0.002 0.000 0.686 598 G C 0.571 175.360 174.900 -0.184 0.000 1.427 598 G CA -0.551 44.442 45.100 -0.179 0.000 0.873 598 G HN 0.522 nan 8.290 nan 0.000 0.580 599 G N 0.002 108.728 108.800 -0.123 0.000 2.179 599 G HA2 -0.063 3.898 3.960 0.002 0.000 0.257 599 G HA3 -0.063 3.898 3.960 0.002 0.000 0.257 599 G C 0.689 175.538 174.900 -0.086 0.000 1.010 599 G CA 1.022 46.072 45.100 -0.084 0.000 0.736 599 G HN 2.535 nan 8.290 nan 0.000 0.513 600 N N -1.492 117.125 118.700 -0.138 0.000 2.738 600 N HA -0.164 4.577 4.740 0.002 0.000 0.249 600 N C 0.032 175.480 175.510 -0.104 0.000 1.047 600 N CA 1.670 54.685 53.050 -0.058 0.000 0.707 600 N CB -1.393 37.155 38.487 0.101 0.000 0.937 600 N HN 1.180 nan 8.380 nan 0.000 0.545 601 S N 0.039 115.521 115.700 -0.364 0.000 2.519 601 S HA 0.742 5.213 4.470 0.002 0.000 0.309 601 S C -1.104 173.221 174.600 -0.457 0.000 1.100 601 S CA -0.509 57.555 58.200 -0.228 0.000 1.059 601 S CB 0.919 64.034 63.200 -0.141 0.000 1.008 601 S HN 0.216 nan 8.310 nan 0.000 0.478 602 Y N 1.382 121.696 120.300 0.024 0.000 2.553 602 Y HA 0.637 5.188 4.550 0.001 0.000 0.347 602 Y C 0.319 176.236 175.900 0.028 0.000 1.019 602 Y CA -0.763 57.364 58.100 0.045 0.000 1.032 602 Y CB 2.446 40.958 38.460 0.086 0.000 1.284 602 Y HN 0.576 nan 8.280 nan 0.000 0.466 603 S N 2.071 117.881 115.700 0.183 0.000 2.599 603 S HA 0.829 5.300 4.470 0.002 0.000 0.287 603 S C -1.567 173.109 174.600 0.127 0.000 1.105 603 S CA -0.801 57.409 58.200 0.018 0.000 0.899 603 S CB 1.649 64.820 63.200 -0.048 0.000 1.100 603 S HN 0.512 nan 8.310 nan 0.000 0.482 604 F N -0.469 119.497 119.950 0.027 0.000 2.668 604 F HA 0.649 5.175 4.527 -0.001 0.000 0.309 604 F C -0.951 174.838 175.800 -0.017 0.000 1.117 604 F CA -1.009 56.995 58.000 0.006 0.000 0.951 604 F CB 1.344 40.344 39.000 -0.001 0.000 1.323 604 F HN 0.488 nan 8.300 nan 0.000 0.451 605 Q N 2.233 122.159 119.800 0.210 0.000 2.293 605 Q HA 0.575 4.917 4.340 0.002 0.000 0.261 605 Q C -1.296 174.817 176.000 0.189 0.000 0.960 605 Q CA -0.886 54.979 55.803 0.102 0.000 0.882 605 Q CB 2.226 30.986 28.738 0.037 0.000 1.275 605 Q HN 0.798 nan 8.270 nan 0.000 0.445 606 V N 6.263 126.248 119.914 0.119 0.000 2.585 606 V HA 0.106 4.227 4.120 0.002 0.000 0.296 606 V C -2.040 174.029 176.094 -0.043 0.000 1.035 606 V CA -1.023 61.285 62.300 0.012 0.000 1.084 606 V CB 0.539 32.325 31.823 -0.061 0.000 0.953 606 V HN 0.803 nan 8.190 nan 0.000 0.483 607 P HA -0.039 nan 4.420 nan 0.000 0.264 607 P C 0.797 178.053 177.300 -0.074 0.000 1.173 607 P CA 0.533 63.590 63.100 -0.070 0.000 0.761 607 P CB 0.435 32.084 31.700 -0.086 0.000 0.794 608 S N 0.716 116.380 115.700 -0.061 0.000 2.461 608 S HA -0.060 4.411 4.470 0.002 0.000 0.228 608 S C 0.758 175.316 174.600 -0.070 0.000 1.005 608 S CA 0.456 58.620 58.200 -0.059 0.000 0.942 608 S CB -0.330 62.841 63.200 -0.049 0.000 0.776 608 S HN 0.412 nan 8.310 nan 0.000 0.514 609 D N 2.577 122.922 120.400 -0.091 0.000 2.339 609 D HA 0.239 4.880 4.640 0.002 0.000 0.241 609 D C 1.054 177.290 176.300 -0.106 0.000 1.183 609 D CA 0.137 54.064 54.000 -0.121 0.000 0.859 609 D CB 1.507 42.195 40.800 -0.186 0.000 1.067 609 D HN 0.351 nan 8.370 nan 0.000 0.484 610 S N 1.809 117.468 115.700 -0.068 0.000 2.547 610 S HA -0.055 4.416 4.470 0.002 0.000 0.235 610 S C 1.843 176.447 174.600 0.008 0.000 0.980 610 S CA 0.528 58.721 58.200 -0.011 0.000 0.941 610 S CB 0.058 63.263 63.200 0.010 0.000 0.763 610 S HN 0.470 nan 8.310 nan 0.000 0.532 611 G N 0.958 109.700 108.800 -0.097 0.000 2.464 611 G HA2 0.046 4.007 3.960 0.002 0.000 0.217 611 G HA3 0.046 4.007 3.960 0.002 0.000 0.217 611 G C 1.222 176.037 174.900 -0.142 0.000 1.138 611 G CA 0.747 45.764 45.100 -0.139 0.000 0.793 611 G HN 0.480 nan 8.290 nan 0.000 0.539 612 V N 0.966 120.761 119.914 -0.197 0.000 2.326 612 V HA 0.278 4.399 4.120 0.002 0.000 0.238 612 V C 2.132 178.337 176.094 0.185 0.000 1.038 612 V CA 1.291 63.577 62.300 -0.024 0.000 1.032 612 V CB -0.446 31.308 31.823 -0.116 0.000 0.675 612 V HN 0.320 nan 8.190 nan 0.000 0.467 613 A N 1.143 124.006 122.820 0.072 0.000 3.056 613 A HA 0.374 4.695 4.320 0.002 0.000 0.274 613 A C 0.220 177.977 177.584 0.289 0.000 1.661 613 A CA -0.116 51.956 52.037 0.059 0.000 1.363 613 A CB -1.036 17.838 19.000 -0.211 0.000 1.139 613 A HN 0.472 nan 8.150 nan 0.000 0.598 614 L N 2.886 124.434 121.223 0.543 0.000 2.640 614 L HA 0.049 4.390 4.340 0.002 0.000 0.280 614 L C -1.721 175.436 176.870 0.479 0.000 1.229 614 L CA -0.971 54.129 54.840 0.432 0.000 0.919 614 L CB 0.599 42.892 42.059 0.390 0.000 1.168 614 L HN 0.381 nan 8.230 nan 0.000 0.496 615 P HA 0.184 nan 4.420 nan 0.000 0.267 615 P C 0.154 177.601 177.300 0.244 0.000 1.200 615 P CA 0.217 63.460 63.100 0.238 0.000 0.772 615 P CB 1.006 32.775 31.700 0.116 0.000 0.855 616 G N 1.182 110.112 108.800 0.217 0.000 2.302 616 G HA2 0.099 4.060 3.960 0.002 0.000 0.264 616 G HA3 0.099 4.060 3.960 0.002 0.000 0.264 616 G C -1.891 173.081 174.900 0.120 0.000 1.335 616 G CA -0.805 44.340 45.100 0.075 0.000 0.982 616 G HN 0.280 nan 8.290 nan 0.000 0.473 617 Y N -0.388 120.035 120.300 0.205 0.000 2.308 617 Y HA 0.678 5.230 4.550 0.003 0.000 0.329 617 Y C -0.051 176.087 175.900 0.396 0.000 1.111 617 Y CA 0.056 58.339 58.100 0.304 0.000 1.179 617 Y CB 1.372 39.876 38.460 0.073 0.000 1.201 617 Y HN 0.574 nan 8.280 nan 0.000 0.483 618 W N 2.651 124.260 121.300 0.516 0.000 2.950 618 W HA 0.659 5.319 4.660 -0.001 0.000 0.340 618 W C -1.048 175.572 176.519 0.170 0.000 1.139 618 W CA -1.044 56.474 57.345 0.289 0.000 1.188 618 W CB 1.356 30.916 29.460 0.166 0.000 1.426 618 W HN 0.231 nan 8.180 nan 0.000 0.531 619 M N 3.119 122.767 119.600 0.080 0.000 2.157 619 M HA 0.335 4.817 4.480 0.002 0.000 0.354 619 M C -0.684 175.553 176.300 -0.105 0.000 1.170 619 M CA -1.021 54.174 55.300 -0.175 0.000 1.060 619 M CB 0.914 33.251 32.600 -0.439 0.000 1.615 619 M HN 0.241 nan 8.290 nan 0.000 0.460 620 L N 4.800 125.914 121.223 -0.183 0.000 2.265 620 L HA 0.570 4.912 4.340 0.002 0.000 0.288 620 L C -1.748 174.906 176.870 -0.360 0.000 1.058 620 L CA 0.362 55.110 54.840 -0.152 0.000 0.809 620 L CB 0.188 42.237 42.059 -0.016 0.000 1.179 620 L HN 0.428 nan 8.230 nan 0.000 0.429 621 F N 4.842 124.750 119.950 -0.069 0.000 2.495 621 F HA 0.643 5.167 4.527 -0.005 0.000 0.327 621 F C -0.010 175.714 175.800 -0.126 0.000 1.103 621 F CA -0.690 57.253 58.000 -0.095 0.000 0.949 621 F CB 2.086 41.012 39.000 -0.124 0.000 1.142 621 F HN 0.403 nan 8.300 nan 0.000 0.457 622 V N 1.262 121.215 119.914 0.064 0.000 2.628 622 V HA 0.789 4.910 4.120 0.002 0.000 0.306 622 V C -0.688 175.378 176.094 -0.047 0.000 1.045 622 V CA -0.892 61.388 62.300 -0.034 0.000 0.905 622 V CB 1.760 33.543 31.823 -0.068 0.000 0.997 622 V HN 0.675 nan 8.190 nan 0.000 0.436 623 M N 5.004 124.546 119.600 -0.097 0.000 2.311 623 M HA 0.513 4.994 4.480 0.002 0.000 0.325 623 M C -0.113 176.127 176.300 -0.099 0.000 1.061 623 M CA -0.431 54.805 55.300 -0.107 0.000 0.957 623 M CB 1.540 34.058 32.600 -0.137 0.000 1.646 623 M HN 1.017 nan 8.290 nan 0.000 0.434 624 N N 0.521 119.177 118.700 -0.073 0.000 2.327 624 N HA 0.221 4.962 4.740 0.002 0.000 0.257 624 N C 0.810 176.291 175.510 -0.047 0.000 1.281 624 N CA 0.085 53.103 53.050 -0.054 0.000 0.942 624 N CB -0.072 38.397 38.487 -0.029 0.000 1.199 624 N HN 0.670 nan 8.380 nan 0.000 0.532 625 S N -1.445 114.239 115.700 -0.028 0.000 2.374 625 S HA -0.226 4.245 4.470 0.002 0.000 0.227 625 S C 1.809 176.397 174.600 -0.021 0.000 1.037 625 S CA 1.186 59.374 58.200 -0.020 0.000 1.024 625 S CB -1.288 61.909 63.200 -0.005 0.000 0.861 625 S HN 0.818 nan 8.310 nan 0.000 0.456 626 A N 0.996 123.806 122.820 -0.017 0.000 2.216 626 A HA 0.429 4.750 4.320 0.002 0.000 0.214 626 A C 1.895 179.468 177.584 -0.019 0.000 1.160 626 A CA 1.017 53.047 52.037 -0.012 0.000 0.725 626 A CB -1.455 17.542 19.000 -0.005 0.000 0.784 626 A HN 1.763 nan 8.150 nan 0.000 0.472 627 G N -1.840 106.937 108.800 -0.037 0.000 2.136 627 G HA2 -0.179 3.782 3.960 0.002 0.000 0.242 627 G HA3 -0.179 3.782 3.960 0.002 0.000 0.242 627 G C 0.068 174.923 174.900 -0.076 0.000 0.989 627 G CA 0.101 45.166 45.100 -0.058 0.000 0.682 627 G HN 0.840 nan 8.290 nan 0.000 0.522 628 V N 2.666 122.544 119.914 -0.060 0.000 2.432 628 V HA 0.446 4.568 4.120 0.002 0.000 0.271 628 V C -1.146 174.880 176.094 -0.114 0.000 1.046 628 V CA -1.292 60.971 62.300 -0.063 0.000 0.945 628 V CB 1.388 33.196 31.823 -0.025 0.000 0.992 628 V HN 0.265 nan 8.190 nan 0.000 0.471 629 P HA 0.206 nan 4.420 nan 0.000 0.278 629 P C -0.038 177.260 177.300 -0.003 0.000 1.238 629 P CA -0.228 62.779 63.100 -0.155 0.000 0.794 629 P CB 1.113 32.582 31.700 -0.384 0.000 0.955 630 S N 1.855 117.593 115.700 0.063 0.000 2.587 630 S HA 0.176 4.647 4.470 0.002 0.000 0.260 630 S C 0.914 175.614 174.600 0.166 0.000 1.353 630 S CA -0.638 57.608 58.200 0.078 0.000 0.995 630 S CB -0.401 62.823 63.200 0.040 0.000 0.912 630 S HN 0.493 nan 8.310 nan 0.000 0.568 631 V N -1.210 118.755 119.914 0.086 0.000 3.185 631 V HA 0.694 4.815 4.120 0.002 0.000 0.305 631 V C 0.588 176.605 176.094 -0.127 0.000 1.090 631 V CA -0.647 61.700 62.300 0.079 0.000 1.107 631 V CB -0.477 31.368 31.823 0.037 0.000 1.061 631 V HN 1.268 nan 8.190 nan 0.000 0.480 632 A N 2.769 125.379 122.820 -0.350 0.000 2.401 632 A HA 0.602 4.923 4.320 0.002 0.000 0.259 632 A C 0.507 177.905 177.584 -0.309 0.000 1.103 632 A CA -0.210 51.368 52.037 -0.764 0.000 0.789 632 A CB -0.022 18.382 19.000 -0.994 0.000 1.035 632 A HN 1.070 nan 8.150 nan 0.000 0.491 633 S N 1.280 116.833 115.700 -0.245 0.000 2.457 633 S HA 0.390 4.861 4.470 0.002 0.000 0.289 633 S C 0.216 174.814 174.600 -0.004 0.000 1.163 633 S CA -0.328 57.829 58.200 -0.072 0.000 1.078 633 S CB 0.960 64.149 63.200 -0.018 0.000 0.987 633 S HN 0.726 nan 8.310 nan 0.000 0.482 634 T N 4.809 119.416 114.554 0.087 0.000 2.814 634 T HA 0.312 4.663 4.350 0.002 0.000 0.297 634 T C -0.078 174.757 174.700 0.226 0.000 0.956 634 T CA -0.149 62.087 62.100 0.227 0.000 1.123 634 T CB -0.107 68.891 68.868 0.217 0.000 0.902 634 T HN 0.319 nan 8.240 nan 0.000 0.528 635 I N 3.406 124.158 120.570 0.304 0.000 2.436 635 I HA 0.375 4.546 4.170 0.002 0.000 0.289 635 I C 0.330 176.642 176.117 0.325 0.000 1.010 635 I CA -0.876 60.579 61.300 0.257 0.000 1.098 635 I CB 1.580 39.709 38.000 0.215 0.000 1.266 635 I HN 0.395 nan 8.210 nan 0.000 0.434 636 R N 4.931 125.556 120.500 0.208 0.000 2.234 636 R HA 0.473 4.814 4.340 0.002 0.000 0.324 636 R C -1.154 175.189 176.300 0.070 0.000 1.054 636 R CA -0.409 55.744 56.100 0.088 0.000 0.912 636 R CB 1.245 31.515 30.300 -0.050 0.000 1.030 636 R HN 0.373 nan 8.270 nan 0.000 0.455 637 V N 4.596 124.585 119.914 0.124 0.000 2.394 637 V HA 0.300 4.422 4.120 0.002 0.000 0.282 637 V C 0.642 176.761 176.094 0.042 0.000 1.031 637 V CA -0.446 61.886 62.300 0.054 0.000 0.881 637 V CB 1.585 33.397 31.823 -0.019 0.000 0.982 637 V HN 0.928 nan 8.190 nan 0.000 0.451 638 T N 1.960 116.514 114.554 0.001 0.000 2.910 638 T HA 0.599 4.950 4.350 0.002 0.000 0.287 638 T C -0.287 174.411 174.700 -0.004 0.000 1.050 638 T CA -0.822 61.275 62.100 -0.005 0.000 1.011 638 T CB 1.728 70.582 68.868 -0.024 0.000 1.195 638 T HN 0.513 nan 8.240 nan 0.000 0.540 639 Q N 0.000 119.798 119.800 -0.004 0.000 2.315 639 Q HA 0.000 4.341 4.340 0.002 0.000 0.214 639 Q CA 0.000 55.798 55.803 -0.008 0.000 1.022 639 Q CB 0.000 28.735 28.738 -0.005 0.000 1.108 639 Q HN 0.000 nan 8.270 nan 0.000 0.481