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 2v7b_1_A DATA FIRST_RESID 22 DATA SEQUENCE LFNFAAYLFR LNETRAGKTA YIDDTGSTTY GELEERARRF ASALRTLGVH DATA SEQUENCE PEERILLVML DTVALPVAFL GALYAGVVPV VANTLLTPAD YVYMLTHSHA DATA SEQUENCE RAVIASGALV QNVTQALESA XXXGCQLIVS QPXXXXXXLA PLFEELIDAA DATA SEQUENCE APAAKAAATG CDDIAFWLYS XXXXXKPKGT VHTHANLYWT AELYAKPILG DATA SEQUENCE IAENDVVFSA AKLFFAYGLG NGLTFPLSVG ATAILMAERP TADAIFARLV DATA SEQUENCE EHRPTVFYGV PTLYANMLVS PNLPARADVA IRICTSAGEA LPREIGERFT DATA SEQUENCE AHFGCEILDG IGSTEMLHIF LSNRAGAVEY GTTGRPVPGY EIELRDEAGH DATA SEQUENCE AVPDGEVGDL YIKGPSAAVM YWNNREKSRA TFLGEWIRSG DKYCRLPNGC DATA SEQUENCE YVYAGRSDDM LKXXXXYVSP VEVEMVLVQH DAVLEAAVVG VDHGGLVKTR DATA SEQUENCE AFVVLKREFA PSEILAEELK AFVKDRLAPH KYPRDIVFVD DLPKTATGKI DATA SEQUENCE QRFKLRE 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 22 L HA 0.000 nan 4.340 nan 0.000 0.249 22 L C 0.000 176.927 176.870 0.095 0.000 1.165 22 L CA 0.000 54.851 54.840 0.018 0.000 0.813 22 L CB 0.000 42.069 42.059 0.016 0.000 0.961 23 F N 2.217 122.081 119.950 -0.142 0.000 2.651 23 F HA 0.515 5.041 4.527 -0.000 0.000 0.329 23 F C -1.371 174.259 175.800 -0.283 0.000 1.186 23 F CA -0.601 57.294 58.000 -0.175 0.000 1.046 23 F CB 1.282 40.174 39.000 -0.180 0.000 1.296 23 F HN -0.028 nan 8.300 nan 0.000 0.497 24 N N 5.823 123.982 118.700 -0.901 0.000 2.399 24 N HA 0.149 4.889 4.740 -0.000 0.000 0.284 24 N C 0.175 175.221 175.510 -0.774 0.000 1.025 24 N CA -0.321 52.211 53.050 -0.864 0.000 0.885 24 N CB 1.158 39.326 38.487 -0.531 0.000 1.339 24 N HN 0.680 nan 8.380 nan 0.000 0.487 25 F N 4.106 123.830 119.950 -0.377 0.000 2.126 25 F HA -0.088 4.439 4.527 -0.000 0.000 0.299 25 F C 2.129 177.878 175.800 -0.086 0.000 1.096 25 F CA 2.022 59.944 58.000 -0.130 0.000 1.255 25 F CB -0.060 39.109 39.000 0.281 0.000 0.997 25 F HN 0.701 nan 8.300 nan 0.000 0.479 26 A N 0.096 122.842 122.820 -0.123 0.000 1.877 26 A HA -0.061 4.258 4.320 -0.000 0.000 0.216 26 A C 2.415 179.526 177.584 -0.790 0.000 1.186 26 A CA 1.831 53.582 52.037 -0.476 0.000 0.620 26 A CB -1.547 17.327 19.000 -0.211 0.000 0.822 26 A HN 0.446 nan 8.150 nan 0.000 0.443 27 A N -1.538 121.119 122.820 -0.271 0.000 1.933 27 A HA -0.085 4.234 4.320 -0.000 0.000 0.218 27 A C 2.121 179.644 177.584 -0.101 0.000 1.175 27 A CA 1.673 53.710 52.037 -0.000 0.000 0.628 27 A CB -0.798 18.192 19.000 -0.016 0.000 0.814 27 A HN 0.771 nan 8.150 nan 0.000 0.444 28 Y N 0.665 120.724 120.300 -0.402 0.000 2.128 28 Y HA -0.189 4.361 4.550 -0.000 0.000 0.284 28 Y C 1.912 177.649 175.900 -0.272 0.000 1.154 28 Y CA 1.896 59.797 58.100 -0.331 0.000 1.149 28 Y CB -0.417 37.764 38.460 -0.465 0.000 0.976 28 Y HN 0.210 nan 8.280 nan 0.000 0.505 29 L N -1.259 119.618 121.223 -0.578 0.000 2.046 29 L HA -0.227 4.112 4.340 -0.000 0.000 0.208 29 L C 2.313 179.080 176.870 -0.171 0.000 1.077 29 L CA 1.116 55.658 54.840 -0.496 0.000 0.747 29 L CB -0.744 41.039 42.059 -0.460 0.000 0.896 29 L HN 0.195 nan 8.230 nan 0.000 0.432 30 F N 0.433 120.321 119.950 -0.103 0.000 2.102 30 F HA -0.163 4.364 4.527 -0.000 0.000 0.298 30 F C 2.742 178.497 175.800 -0.075 0.000 1.105 30 F CA 1.081 59.055 58.000 -0.043 0.000 1.239 30 F CB -0.952 38.044 39.000 -0.007 0.000 0.991 30 F HN -0.028 nan 8.300 nan 0.000 0.474 31 R N 0.111 120.664 120.500 0.087 0.000 2.081 31 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 31 R C 2.298 178.546 176.300 -0.086 0.000 1.131 31 R CA 1.238 57.339 56.100 0.002 0.000 0.960 31 R CB -0.825 29.473 30.300 -0.004 0.000 0.856 31 R HN 0.294 nan 8.270 nan 0.000 0.436 32 L N 0.543 121.639 121.223 -0.211 0.000 2.079 32 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 32 L C 0.918 177.670 176.870 -0.198 0.000 1.081 32 L CA 1.523 56.211 54.840 -0.254 0.000 0.752 32 L CB -0.320 41.490 42.059 -0.415 0.000 0.896 32 L HN 0.310 nan 8.230 nan 0.000 0.433 33 N N -1.050 117.547 118.700 -0.171 0.000 2.235 33 N HA -0.047 4.693 4.740 -0.000 0.000 0.209 33 N C 1.357 176.786 175.510 -0.135 0.000 1.122 33 N CA -0.114 52.788 53.050 -0.247 0.000 0.845 33 N CB 0.383 38.649 38.487 -0.369 0.000 1.004 33 N HN 0.387 nan 8.380 nan 0.000 0.499 34 E N 0.531 120.689 120.200 -0.069 0.000 2.118 34 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 34 E C 1.354 177.925 176.600 -0.048 0.000 0.992 34 E CA 1.750 58.129 56.400 -0.036 0.000 0.804 34 E CB -0.520 29.168 29.700 -0.020 0.000 0.741 34 E HN 0.315 nan 8.360 nan 0.000 0.458 35 T N -0.283 114.229 114.554 -0.070 0.000 3.118 35 T HA -0.028 4.322 4.350 -0.000 0.000 0.260 35 T C 1.546 176.206 174.700 -0.068 0.000 1.139 35 T CA 0.599 62.663 62.100 -0.061 0.000 1.085 35 T CB -0.315 68.516 68.868 -0.061 0.000 0.934 35 T HN 0.380 nan 8.240 nan 0.000 0.518 36 R N 0.136 120.576 120.500 -0.100 0.000 2.748 36 R HA 0.752 5.092 4.340 -0.000 0.000 0.395 36 R C 1.696 177.996 176.300 -0.000 0.000 1.128 36 R CA 0.051 56.100 56.100 -0.084 0.000 1.042 36 R CB -0.252 29.940 30.300 -0.179 0.000 1.392 36 R HN 0.156 nan 8.270 nan 0.000 0.582 37 A N 0.995 123.825 122.820 0.016 0.000 1.958 37 A HA -0.148 4.171 4.320 -0.000 0.000 0.221 37 A C 2.125 179.757 177.584 0.080 0.000 1.178 37 A CA 1.947 54.019 52.037 0.059 0.000 0.642 37 A CB -0.762 18.248 19.000 0.017 0.000 0.816 37 A HN 0.612 nan 8.150 nan 0.000 0.453 38 G N -1.177 107.655 108.800 0.055 0.000 2.712 38 G HA2 0.087 4.047 3.960 -0.000 0.000 0.212 38 G HA3 0.087 4.047 3.960 -0.000 0.000 0.212 38 G C 0.744 175.688 174.900 0.072 0.000 1.142 38 G CA 0.421 45.552 45.100 0.050 0.000 0.789 38 G HN 0.561 nan 8.290 nan 0.000 0.535 39 K N 1.494 121.964 120.400 0.117 0.000 2.350 39 K HA 0.206 4.525 4.320 -0.000 0.000 0.279 39 K C -0.198 176.502 176.600 0.167 0.000 1.027 39 K CA -0.274 56.101 56.287 0.146 0.000 0.969 39 K CB 0.321 32.926 32.500 0.175 0.000 0.954 39 K HN -0.025 nan 8.250 nan 0.000 0.474 40 T N 3.659 118.258 114.554 0.074 0.000 2.829 40 T HA 0.041 4.391 4.350 -0.000 0.000 0.293 40 T C 0.978 175.616 174.700 -0.105 0.000 0.970 40 T CA 0.098 62.192 62.100 -0.010 0.000 1.168 40 T CB 1.126 69.984 68.868 -0.018 0.000 0.911 40 T HN 0.729 nan 8.240 nan 0.000 0.535 41 A N 3.780 126.385 122.820 -0.358 0.000 1.887 41 A HA 0.248 4.567 4.320 -0.000 0.000 0.212 41 A C 0.160 177.341 177.584 -0.671 0.000 1.198 41 A CA 0.590 52.142 52.037 -0.809 0.000 0.628 41 A CB 0.096 18.349 19.000 -1.246 0.000 0.847 41 A HN 0.774 nan 8.150 nan 0.000 0.449 42 Y N -1.065 119.112 120.300 -0.204 0.000 2.425 42 Y HA 0.632 5.182 4.550 -0.000 0.000 0.344 42 Y C -0.597 175.231 175.900 -0.120 0.000 0.969 42 Y CA -0.669 57.351 58.100 -0.133 0.000 1.052 42 Y CB 1.850 40.242 38.460 -0.114 0.000 1.215 42 Y HN 0.058 nan 8.280 nan 0.000 0.451 43 I N 4.341 124.924 120.570 0.021 0.000 2.406 43 I HA 0.345 4.515 4.170 -0.000 0.000 0.290 43 I C -0.892 175.193 176.117 -0.054 0.000 0.999 43 I CA -0.496 60.751 61.300 -0.089 0.000 1.124 43 I CB 1.397 39.204 38.000 -0.322 0.000 1.289 43 I HN 0.651 nan 8.210 nan 0.000 0.441 44 D N 3.033 123.412 120.400 -0.035 0.000 2.801 44 D HA 0.199 4.838 4.640 -0.000 0.000 0.277 44 D C 0.193 176.491 176.300 -0.003 0.000 1.125 44 D CA -0.501 53.492 54.000 -0.012 0.000 1.102 44 D CB 0.524 41.321 40.800 -0.005 0.000 1.400 44 D HN 0.284 nan 8.370 nan 0.000 0.601 45 D N -0.967 119.440 120.400 0.013 0.000 2.310 45 D HA -0.072 4.567 4.640 -0.000 0.000 0.212 45 D C 1.399 177.713 176.300 0.022 0.000 0.965 45 D CA 1.928 55.943 54.000 0.025 0.000 0.879 45 D CB 0.017 40.833 40.800 0.026 0.000 0.921 45 D HN 0.622 nan 8.370 nan 0.000 0.510 46 T N -3.453 111.109 114.554 0.013 0.000 2.985 46 T HA 0.466 4.816 4.350 -0.000 0.000 0.254 46 T C 0.871 175.579 174.700 0.013 0.000 1.021 46 T CA 0.324 62.432 62.100 0.013 0.000 0.957 46 T CB 1.488 70.361 68.868 0.007 0.000 1.047 46 T HN 0.190 nan 8.240 nan 0.000 0.511 47 G N 0.261 109.067 108.800 0.010 0.000 2.344 47 G HA2 0.438 4.398 3.960 -0.000 0.000 0.282 47 G HA3 0.438 4.398 3.960 -0.000 0.000 0.282 47 G C -1.690 173.210 174.900 -0.000 0.000 1.281 47 G CA -0.550 44.556 45.100 0.010 0.000 0.877 47 G HN 0.239 nan 8.290 nan 0.000 0.494 48 S N -0.677 115.024 115.700 0.002 0.000 2.532 48 S HA 0.859 5.329 4.470 -0.000 0.000 0.301 48 S C -0.615 173.989 174.600 0.006 0.000 1.083 48 S CA -0.387 57.811 58.200 -0.002 0.000 1.025 48 S CB 1.900 65.096 63.200 -0.006 0.000 1.056 48 S HN 0.755 nan 8.310 nan 0.000 0.494 49 T N 2.167 116.729 114.554 0.013 0.000 2.879 49 T HA 0.516 4.866 4.350 -0.000 0.000 0.290 49 T C 0.125 174.811 174.700 -0.022 0.000 0.993 49 T CA -0.775 61.331 62.100 0.011 0.000 0.975 49 T CB 1.507 70.400 68.868 0.042 0.000 0.981 49 T HN 0.714 nan 8.240 nan 0.000 0.439 50 T N 0.729 115.271 114.554 -0.019 0.000 2.849 50 T HA 0.329 4.679 4.350 -0.000 0.000 0.284 50 T C 1.050 175.726 174.700 -0.040 0.000 1.004 50 T CA -0.461 61.630 62.100 -0.015 0.000 1.021 50 T CB 0.445 69.332 68.868 0.031 0.000 1.013 50 T HN 0.498 nan 8.240 nan 0.000 0.527 51 Y N 1.484 121.794 120.300 0.015 0.000 2.139 51 Y HA -0.071 4.478 4.550 -0.000 0.000 0.282 51 Y C 2.831 178.724 175.900 -0.012 0.000 1.179 51 Y CA 2.054 60.167 58.100 0.021 0.000 1.161 51 Y CB -0.923 37.543 38.460 0.009 0.000 0.970 51 Y HN 0.918 nan 8.280 nan 0.000 0.511 52 G N -0.455 108.411 108.800 0.111 0.000 2.446 52 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 52 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 52 G C 1.419 176.291 174.900 -0.046 0.000 1.168 52 G CA 1.236 46.342 45.100 0.010 0.000 0.771 52 G HN 0.424 nan 8.290 nan 0.000 0.551 53 E N -0.333 119.850 120.200 -0.028 0.000 2.106 53 E HA -0.058 4.292 4.350 -0.000 0.000 0.192 53 E C 2.361 178.925 176.600 -0.060 0.000 0.984 53 E CA 0.586 56.958 56.400 -0.047 0.000 0.806 53 E CB -0.169 29.515 29.700 -0.027 0.000 0.750 53 E HN 0.328 nan 8.360 nan 0.000 0.458 54 L N 1.680 122.886 121.223 -0.029 0.000 2.012 54 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 54 L C 2.291 179.115 176.870 -0.076 0.000 1.073 54 L CA 2.060 56.909 54.840 0.015 0.000 0.748 54 L CB -0.381 41.731 42.059 0.088 0.000 0.891 54 L HN 0.100 nan 8.230 nan 0.000 0.431 55 E N -0.811 119.239 120.200 -0.250 0.000 2.051 55 E HA -0.311 4.039 4.350 -0.000 0.000 0.192 55 E C 2.082 178.299 176.600 -0.637 0.000 0.991 55 E CA 1.294 57.179 56.400 -0.859 0.000 0.799 55 E CB -0.171 28.993 29.700 -0.893 0.000 0.748 55 E HN 0.592 nan 8.360 nan 0.000 0.449 56 E N 0.571 120.562 120.200 -0.349 0.000 2.049 56 E HA -0.223 4.127 4.350 -0.000 0.000 0.198 56 E C 2.152 178.634 176.600 -0.197 0.000 1.007 56 E CA 1.746 57.997 56.400 -0.247 0.000 0.809 56 E CB -0.030 29.578 29.700 -0.153 0.000 0.749 56 E HN 0.123 nan 8.360 nan 0.000 0.450 57 R N 0.104 120.520 120.500 -0.140 0.000 2.092 57 R HA 0.033 4.373 4.340 -0.000 0.000 0.231 57 R C 2.285 178.559 176.300 -0.043 0.000 1.119 57 R CA 1.174 57.218 56.100 -0.092 0.000 0.970 57 R CB -1.155 29.104 30.300 -0.069 0.000 0.864 57 R HN 0.333 nan 8.270 nan 0.000 0.440 58 A N 1.426 124.230 122.820 -0.026 0.000 1.877 58 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 58 A C 2.281 179.890 177.584 0.042 0.000 1.186 58 A CA 1.395 53.502 52.037 0.117 0.000 0.620 58 A CB -0.405 18.773 19.000 0.296 0.000 0.822 58 A HN 0.226 nan 8.150 nan 0.000 0.443 59 R N -0.916 119.453 120.500 -0.218 0.000 2.092 59 R HA -0.043 4.296 4.340 -0.000 0.000 0.231 59 R C 2.465 178.692 176.300 -0.122 0.000 1.119 59 R CA 1.325 57.234 56.100 -0.317 0.000 0.970 59 R CB -0.244 29.715 30.300 -0.568 0.000 0.864 59 R HN 0.488 nan 8.270 nan 0.000 0.440 60 R N -0.397 120.046 120.500 -0.096 0.000 2.081 60 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 60 R C 2.030 178.330 176.300 0.000 0.000 1.131 60 R CA 1.455 57.523 56.100 -0.053 0.000 0.960 60 R CB -0.369 29.890 30.300 -0.068 0.000 0.856 60 R HN 0.153 nan 8.270 nan 0.000 0.436 61 F N 1.471 121.352 119.950 -0.115 0.000 2.216 61 F HA -0.120 4.407 4.527 -0.000 0.000 0.300 61 F C 2.169 177.970 175.800 0.001 0.000 1.085 61 F CA 0.985 58.931 58.000 -0.089 0.000 1.326 61 F CB -0.416 38.541 39.000 -0.072 0.000 1.027 61 F HN -0.011 nan 8.300 nan 0.000 0.497 62 A N -0.593 122.195 122.820 -0.053 0.000 1.883 62 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 62 A C 2.438 179.961 177.584 -0.102 0.000 1.186 62 A CA 2.165 54.169 52.037 -0.055 0.000 0.624 62 A CB -1.325 17.792 19.000 0.195 0.000 0.822 62 A HN 0.405 nan 8.150 nan 0.000 0.444 63 S N -0.263 115.399 115.700 -0.062 0.000 2.359 63 S HA -0.087 4.383 4.470 -0.000 0.000 0.224 63 S C 2.326 176.863 174.600 -0.105 0.000 1.035 63 S CA 1.300 59.461 58.200 -0.064 0.000 1.018 63 S CB -0.540 62.636 63.200 -0.041 0.000 0.876 63 S HN 0.832 nan 8.310 nan 0.000 0.448 64 A N 1.289 124.023 122.820 -0.143 0.000 1.940 64 A HA -0.065 4.255 4.320 -0.000 0.000 0.219 64 A C 2.127 179.590 177.584 -0.201 0.000 1.176 64 A CA 1.263 53.215 52.037 -0.141 0.000 0.631 64 A CB -0.742 18.207 19.000 -0.084 0.000 0.814 64 A HN 0.459 nan 8.150 nan 0.000 0.446 65 L N -1.155 119.848 121.223 -0.366 0.000 2.017 65 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 65 L C 2.894 179.682 176.870 -0.136 0.000 1.073 65 L CA 1.667 56.325 54.840 -0.305 0.000 0.745 65 L CB -0.480 41.335 42.059 -0.407 0.000 0.894 65 L HN 0.360 nan 8.230 nan 0.000 0.432 66 R N -0.690 119.743 120.500 -0.111 0.000 2.083 66 R HA -0.148 4.192 4.340 -0.000 0.000 0.237 66 R C 2.237 178.519 176.300 -0.030 0.000 1.137 66 R CA 1.962 58.032 56.100 -0.052 0.000 0.951 66 R CB -0.920 29.349 30.300 -0.051 0.000 0.851 66 R HN 0.296 nan 8.270 nan 0.000 0.434 67 T N 1.544 116.071 114.554 -0.044 0.000 2.788 67 T HA -0.070 4.279 4.350 -0.000 0.000 0.268 67 T C 1.650 176.340 174.700 -0.016 0.000 1.044 67 T CA 1.001 63.085 62.100 -0.026 0.000 1.139 67 T CB -0.088 68.761 68.868 -0.031 0.000 0.867 67 T HN 0.134 nan 8.240 nan 0.000 0.454 68 L N 0.398 121.605 121.223 -0.026 0.000 2.610 68 L HA 0.198 4.537 4.340 -0.000 0.000 0.232 68 L C 1.911 178.782 176.870 0.001 0.000 1.149 68 L CA 0.438 55.272 54.840 -0.011 0.000 0.872 68 L CB -0.451 41.600 42.059 -0.014 0.000 0.992 68 L HN 0.495 nan 8.230 nan 0.000 0.447 69 G N -0.339 108.473 108.800 0.020 0.000 2.143 69 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.249 69 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.249 69 G C 0.193 175.142 174.900 0.081 0.000 0.981 69 G CA 0.027 45.164 45.100 0.062 0.000 0.665 69 G HN 0.104 nan 8.290 nan 0.000 0.528 70 V N 2.302 122.245 119.914 0.049 0.000 2.408 70 V HA 0.314 4.433 4.120 -0.000 0.000 0.267 70 V C 0.971 177.142 176.094 0.128 0.000 1.047 70 V CA -0.577 61.741 62.300 0.030 0.000 0.937 70 V CB 0.438 32.244 31.823 -0.028 0.000 0.999 70 V HN 0.413 nan 8.190 nan 0.000 0.472 71 H N 5.096 124.138 119.070 -0.046 0.000 2.547 71 H HA 0.232 4.788 4.556 -0.000 0.000 0.362 71 H C -2.163 173.136 175.328 -0.047 0.000 1.181 71 H CA -2.066 53.958 56.048 -0.041 0.000 1.376 71 H CB 1.035 30.781 29.762 -0.027 0.000 1.488 71 H HN 0.426 nan 8.280 nan 0.000 0.583 72 P HA -0.129 nan 4.420 nan 0.000 0.266 72 P C -0.044 177.277 177.300 0.035 0.000 1.186 72 P CA 0.861 63.974 63.100 0.022 0.000 0.767 72 P CB 0.353 32.050 31.700 -0.006 0.000 0.820 73 E N -1.753 118.451 120.200 0.006 0.000 4.005 73 E HA -0.262 4.088 4.350 -0.000 0.000 0.349 73 E C -0.213 176.345 176.600 -0.069 0.000 0.635 73 E CA 1.077 57.469 56.400 -0.013 0.000 1.238 73 E CB -1.269 28.449 29.700 0.031 0.000 1.698 73 E HN 0.655 nan 8.360 nan 0.000 0.418 74 E N 1.385 121.549 120.200 -0.060 0.000 2.373 74 E HA 0.213 4.563 4.350 -0.000 0.000 0.263 74 E C 0.108 176.593 176.600 -0.192 0.000 1.073 74 E CA -0.418 55.915 56.400 -0.111 0.000 0.894 74 E CB 0.600 30.259 29.700 -0.069 0.000 1.008 74 E HN 0.018 nan 8.360 nan 0.000 0.420 75 R N 1.939 122.271 120.500 -0.280 0.000 2.486 75 R HA 0.476 4.816 4.340 -0.000 0.000 0.286 75 R C 0.129 176.294 176.300 -0.225 0.000 0.999 75 R CA -0.643 55.218 56.100 -0.397 0.000 0.993 75 R CB -0.062 29.761 30.300 -0.794 0.000 1.084 75 R HN 0.576 nan 8.270 nan 0.000 0.487 76 I N -1.166 119.299 120.570 -0.176 0.000 2.603 76 I HA 0.493 4.663 4.170 -0.000 0.000 0.300 76 I C -0.756 175.322 176.117 -0.064 0.000 1.017 76 I CA -1.463 59.795 61.300 -0.070 0.000 1.098 76 I CB 1.814 39.835 38.000 0.035 0.000 1.279 76 I HN 0.232 nan 8.210 nan 0.000 0.437 77 L N 6.421 127.631 121.223 -0.022 0.000 2.272 77 L HA 0.516 4.856 4.340 -0.000 0.000 0.289 77 L C -0.839 176.043 176.870 0.019 0.000 1.032 77 L CA -0.296 54.553 54.840 0.015 0.000 0.810 77 L CB 1.086 43.162 42.059 0.028 0.000 1.205 77 L HN 0.573 nan 8.230 nan 0.000 0.422 78 L N 6.439 127.692 121.223 0.050 0.000 2.257 78 L HA 0.446 4.785 4.340 -0.000 0.000 0.290 78 L C -0.532 176.332 176.870 -0.009 0.000 1.044 78 L CA -0.754 54.095 54.840 0.015 0.000 0.810 78 L CB 1.272 43.364 42.059 0.054 0.000 1.193 78 L HN 0.316 nan 8.230 nan 0.000 0.425 79 V N 4.766 124.621 119.914 -0.098 0.000 2.225 79 V HA 0.412 4.532 4.120 -0.000 0.000 0.264 79 V C 0.066 176.078 176.094 -0.137 0.000 1.067 79 V CA -0.091 62.116 62.300 -0.155 0.000 0.903 79 V CB 0.450 32.053 31.823 -0.367 0.000 1.136 79 V HN 0.767 nan 8.190 nan 0.000 0.456 80 M N 3.214 122.768 119.600 -0.076 0.000 2.393 80 M HA 0.578 5.058 4.480 -0.000 0.000 0.299 80 M C -0.546 175.748 176.300 -0.009 0.000 1.103 80 M CA -0.516 54.730 55.300 -0.091 0.000 0.910 80 M CB 2.722 35.225 32.600 -0.161 0.000 1.659 80 M HN 0.250 nan 8.290 nan 0.000 0.445 81 L N 0.930 122.142 121.223 -0.019 0.000 2.473 81 L HA 0.072 4.411 4.340 -0.000 0.000 0.265 81 L C 0.065 176.934 176.870 -0.002 0.000 1.243 81 L CA -0.097 54.758 54.840 0.025 0.000 0.822 81 L CB 0.150 42.215 42.059 0.011 0.000 1.101 81 L HN 0.569 nan 8.230 nan 0.000 0.507 82 D N 0.730 121.142 120.400 0.020 0.000 2.416 82 D HA 0.204 4.844 4.640 -0.000 0.000 0.240 82 D C 0.034 176.315 176.300 -0.031 0.000 1.250 82 D CA 0.249 54.242 54.000 -0.013 0.000 0.967 82 D CB 0.230 41.041 40.800 0.019 0.000 1.059 82 D HN 0.573 nan 8.370 nan 0.000 0.512 83 T N -2.408 112.091 114.554 -0.091 0.000 2.865 83 T HA 0.211 4.561 4.350 -0.000 0.000 0.294 83 T C 0.860 175.436 174.700 -0.206 0.000 1.119 83 T CA -0.798 61.237 62.100 -0.109 0.000 1.007 83 T CB 1.285 70.101 68.868 -0.087 0.000 1.225 83 T HN -0.072 nan 8.240 nan 0.000 0.515 84 V N 1.651 121.439 119.914 -0.211 0.000 2.688 84 V HA -0.011 4.109 4.120 -0.000 0.000 0.256 84 V C 2.776 178.731 176.094 -0.233 0.000 1.084 84 V CA 2.740 64.841 62.300 -0.332 0.000 1.103 84 V CB -1.367 30.341 31.823 -0.190 0.000 0.688 84 V HN 1.048 nan 8.190 nan 0.000 0.480 85 A N -0.226 122.504 122.820 -0.150 0.000 1.948 85 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 85 A C 2.118 179.541 177.584 -0.269 0.000 1.177 85 A CA 2.231 54.180 52.037 -0.146 0.000 0.636 85 A CB -0.618 18.212 19.000 -0.284 0.000 0.815 85 A HN 0.557 nan 8.150 nan 0.000 0.449 86 L N 0.414 121.480 121.223 -0.261 0.000 1.988 86 L HA 0.016 4.356 4.340 -0.000 0.000 0.207 86 L C -0.827 175.970 176.870 -0.121 0.000 1.071 86 L CA 2.245 56.961 54.840 -0.206 0.000 0.744 86 L CB -1.638 40.319 42.059 -0.170 0.000 0.893 86 L HN 0.136 nan 8.230 nan 0.000 0.433 87 P HA -0.122 nan 4.420 nan 0.000 0.218 87 P C 2.139 179.487 177.300 0.078 0.000 1.148 87 P CA 1.259 64.306 63.100 -0.088 0.000 0.822 87 P CB -0.026 31.466 31.700 -0.345 0.000 0.784 88 V N 0.413 120.343 119.914 0.027 0.000 2.255 88 V HA -0.290 3.829 4.120 -0.000 0.000 0.247 88 V C 2.512 178.727 176.094 0.202 0.000 1.051 88 V CA 2.407 64.790 62.300 0.139 0.000 1.018 88 V CB -1.729 30.174 31.823 0.132 0.000 0.641 88 V HN 0.116 nan 8.190 nan 0.000 0.445 89 A N -0.647 122.233 122.820 0.099 0.000 1.883 89 A HA -0.272 4.048 4.320 -0.000 0.000 0.217 89 A C 2.136 179.904 177.584 0.306 0.000 1.186 89 A CA 2.291 54.337 52.037 0.015 0.000 0.624 89 A CB -0.760 18.099 19.000 -0.235 0.000 0.822 89 A HN 0.547 nan 8.150 nan 0.000 0.444 90 F N 0.344 120.350 119.950 0.094 0.000 2.084 90 F HA -0.090 4.437 4.527 -0.000 0.000 0.296 90 F C 1.961 177.860 175.800 0.164 0.000 1.111 90 F CA 1.802 59.860 58.000 0.097 0.000 1.224 90 F CB -0.200 38.800 39.000 -0.001 0.000 0.991 90 F HN 0.128 nan 8.300 nan 0.000 0.471 91 L N -0.275 121.153 121.223 0.342 0.000 2.093 91 L HA -0.074 4.265 4.340 -0.000 0.000 0.208 91 L C 2.778 179.835 176.870 0.312 0.000 1.085 91 L CA 1.156 56.158 54.840 0.271 0.000 0.755 91 L CB -1.520 40.741 42.059 0.338 0.000 0.904 91 L HN 0.344 nan 8.230 nan 0.000 0.435 92 G N -0.231 108.810 108.800 0.401 0.000 2.418 92 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 92 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 92 G C 1.781 176.876 174.900 0.325 0.000 1.158 92 G CA 0.852 46.222 45.100 0.449 0.000 0.771 92 G HN 0.456 nan 8.290 nan 0.000 0.545 93 A N 0.514 123.515 122.820 0.302 0.000 1.858 93 A HA 0.047 4.367 4.320 -0.000 0.000 0.216 93 A C 2.384 179.996 177.584 0.047 0.000 1.190 93 A CA 1.577 53.681 52.037 0.112 0.000 0.617 93 A CB -0.544 18.509 19.000 0.089 0.000 0.827 93 A HN 0.286 nan 8.150 nan 0.000 0.443 94 L N -1.968 119.249 121.223 -0.011 0.000 2.013 94 L HA -0.204 4.135 4.340 -0.000 0.000 0.212 94 L C 2.425 179.384 176.870 0.148 0.000 1.073 94 L CA 2.120 56.988 54.840 0.045 0.000 0.753 94 L CB -1.062 40.992 42.059 -0.008 0.000 0.890 94 L HN 0.569 nan 8.230 nan 0.000 0.432 95 Y N -0.133 120.202 120.300 0.059 0.000 2.165 95 Y HA -0.278 4.272 4.550 -0.000 0.000 0.286 95 Y C 2.342 178.263 175.900 0.035 0.000 1.155 95 Y CA 1.503 59.645 58.100 0.069 0.000 1.164 95 Y CB -0.222 38.351 38.460 0.189 0.000 0.978 95 Y HN 0.160 nan 8.280 nan 0.000 0.513 96 A N -0.590 122.326 122.820 0.161 0.000 2.168 96 A HA 0.168 4.488 4.320 -0.000 0.000 0.215 96 A C 2.010 179.585 177.584 -0.014 0.000 1.152 96 A CA 1.131 53.192 52.037 0.039 0.000 0.716 96 A CB -1.393 17.607 19.000 -0.000 0.000 0.794 96 A HN 0.912 nan 8.150 nan 0.000 0.465 97 G N -1.742 107.061 108.800 0.005 0.000 2.148 97 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.254 97 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.254 97 G C 0.212 175.117 174.900 0.008 0.000 0.981 97 G CA 0.300 45.411 45.100 0.019 0.000 0.670 97 G HN 0.792 nan 8.290 nan 0.000 0.528 98 V N 0.437 120.344 119.914 -0.012 0.000 2.607 98 V HA 0.492 4.611 4.120 -0.000 0.000 0.289 98 V C 0.867 176.919 176.094 -0.070 0.000 1.053 98 V CA -0.548 61.725 62.300 -0.044 0.000 0.996 98 V CB 1.928 33.719 31.823 -0.052 0.000 0.995 98 V HN 0.222 nan 8.190 nan 0.000 0.476 99 V N 7.303 127.138 119.914 -0.130 0.000 2.304 99 V HA 0.283 4.402 4.120 -0.000 0.000 0.269 99 V C -2.058 173.905 176.094 -0.218 0.000 1.036 99 V CA -1.601 60.586 62.300 -0.187 0.000 0.840 99 V CB 1.137 32.785 31.823 -0.293 0.000 1.036 99 V HN 0.765 nan 8.190 nan 0.000 0.466 100 P HA 0.234 nan 4.420 nan 0.000 0.279 100 P C -0.724 176.592 177.300 0.027 0.000 1.239 100 P CA -0.124 62.966 63.100 -0.016 0.000 0.789 100 P CB 1.716 33.459 31.700 0.071 0.000 0.933 101 V N 4.164 124.078 119.914 0.000 0.000 2.326 101 V HA 0.145 4.265 4.120 -0.000 0.000 0.281 101 V C 0.295 176.520 176.094 0.220 0.000 1.015 101 V CA -0.742 61.605 62.300 0.078 0.000 0.823 101 V CB 1.628 33.392 31.823 -0.099 0.000 1.009 101 V HN 0.257 nan 8.190 nan 0.000 0.436 102 V N 4.155 124.264 119.914 0.325 0.000 2.368 102 V HA 0.696 4.816 4.120 -0.000 0.000 0.266 102 V C 0.683 176.982 176.094 0.343 0.000 1.045 102 V CA -0.386 62.098 62.300 0.305 0.000 0.899 102 V CB 0.933 32.928 31.823 0.288 0.000 1.006 102 V HN 0.891 nan 8.190 nan 0.000 0.470 103 A N 4.215 127.183 122.820 0.247 0.000 2.306 103 A HA 0.519 4.839 4.320 -0.000 0.000 0.314 103 A C 0.434 177.875 177.584 -0.239 0.000 1.164 103 A CA -0.644 51.495 52.037 0.169 0.000 0.822 103 A CB 0.487 19.625 19.000 0.230 0.000 1.130 103 A HN 0.765 nan 8.150 nan 0.000 0.496 104 N N 1.323 119.677 118.700 -0.577 0.000 2.294 104 N HA -0.076 4.663 4.740 -0.000 0.000 0.263 104 N C 1.305 176.458 175.510 -0.595 0.000 1.281 104 N CA 1.186 53.401 53.050 -1.392 0.000 0.846 104 N CB 0.697 38.791 38.487 -0.654 0.000 1.061 104 N HN 0.712 nan 8.380 nan 0.000 0.478 105 T N 1.085 115.271 114.554 -0.613 0.000 3.100 105 T HA 0.093 4.443 4.350 -0.000 0.000 0.253 105 T C 1.370 176.087 174.700 0.027 0.000 1.118 105 T CA 0.382 62.417 62.100 -0.109 0.000 1.058 105 T CB 0.001 68.861 68.868 -0.013 0.000 0.953 105 T HN 0.463 nan 8.240 nan 0.000 0.515 106 L N 1.099 122.299 121.223 -0.040 0.000 3.062 106 L HA 0.480 4.819 4.340 -0.000 0.000 0.255 106 L C -0.009 176.825 176.870 -0.059 0.000 1.274 106 L CA -0.326 54.512 54.840 -0.003 0.000 1.047 106 L CB 0.110 42.176 42.059 0.011 0.000 1.402 106 L HN 0.204 nan 8.230 nan 0.000 0.550 107 L N -0.841 120.310 121.223 -0.120 0.000 2.416 107 L HA 0.495 4.835 4.340 -0.000 0.000 0.263 107 L C 0.882 177.542 176.870 -0.350 0.000 1.065 107 L CA -0.573 54.040 54.840 -0.378 0.000 0.798 107 L CB 1.397 42.973 42.059 -0.806 0.000 1.267 107 L HN 0.133 nan 8.230 nan 0.000 0.467 108 T N -3.604 110.722 114.554 -0.381 0.000 2.927 108 T HA 0.307 4.657 4.350 -0.000 0.000 0.281 108 T C -2.085 172.513 174.700 -0.171 0.000 0.998 108 T CA -1.863 60.124 62.100 -0.188 0.000 1.019 108 T CB 1.621 70.410 68.868 -0.132 0.000 1.061 108 T HN 0.271 nan 8.240 nan 0.000 0.518 109 P HA -0.104 nan 4.420 nan 0.000 0.216 109 P C 1.620 178.942 177.300 0.038 0.000 1.153 109 P CA 1.710 64.871 63.100 0.103 0.000 0.858 109 P CB -0.272 31.473 31.700 0.076 0.000 0.789 110 A N -0.355 122.450 122.820 -0.025 0.000 1.933 110 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 110 A C 1.992 179.543 177.584 -0.054 0.000 1.175 110 A CA 1.902 53.923 52.037 -0.026 0.000 0.628 110 A CB -1.313 17.663 19.000 -0.039 0.000 0.814 110 A HN 0.105 nan 8.150 nan 0.000 0.444 111 D N -0.842 119.455 120.400 -0.171 0.000 2.104 111 D HA -0.179 4.461 4.640 -0.000 0.000 0.194 111 D C 1.671 177.870 176.300 -0.169 0.000 0.994 111 D CA 1.583 55.430 54.000 -0.255 0.000 0.830 111 D CB -0.459 40.062 40.800 -0.464 0.000 0.959 111 D HN 0.591 nan 8.370 nan 0.000 0.452 112 Y N 1.010 121.306 120.300 -0.006 0.000 2.242 112 Y HA -0.105 4.444 4.550 -0.000 0.000 0.291 112 Y C 2.603 178.513 175.900 0.016 0.000 1.137 112 Y CA -0.027 58.072 58.100 -0.002 0.000 1.181 112 Y CB -0.959 37.493 38.460 -0.013 0.000 0.989 112 Y HN -0.180 nan 8.280 nan 0.000 0.527 113 V N -0.374 119.631 119.914 0.153 0.000 2.252 113 V HA -0.377 3.743 4.120 -0.000 0.000 0.249 113 V C 2.125 178.277 176.094 0.097 0.000 1.056 113 V CA 2.345 64.706 62.300 0.102 0.000 1.022 113 V CB -0.990 30.878 31.823 0.076 0.000 0.641 113 V HN 0.494 nan 8.190 nan 0.000 0.445 114 Y N 0.137 120.436 120.300 -0.002 0.000 2.128 114 Y HA -0.289 4.261 4.550 -0.000 0.000 0.284 114 Y C 2.474 178.406 175.900 0.054 0.000 1.154 114 Y CA 2.163 60.259 58.100 -0.006 0.000 1.149 114 Y CB -0.294 38.111 38.460 -0.092 0.000 0.976 114 Y HN 0.171 nan 8.280 nan 0.000 0.505 115 M N -0.472 119.116 119.600 -0.020 0.000 2.117 115 M HA -0.216 4.263 4.480 -0.000 0.000 0.262 115 M C 2.202 178.566 176.300 0.106 0.000 1.065 115 M CA 1.709 57.017 55.300 0.013 0.000 1.114 115 M CB -0.511 32.156 32.600 0.112 0.000 1.361 115 M HN 0.318 nan 8.290 nan 0.000 0.408 116 L N -0.555 120.714 121.223 0.078 0.000 2.012 116 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 116 L C 2.532 179.395 176.870 -0.012 0.000 1.073 116 L CA 1.506 56.370 54.840 0.040 0.000 0.748 116 L CB -1.019 41.060 42.059 0.034 0.000 0.891 116 L HN 0.341 nan 8.230 nan 0.000 0.431 117 T N -2.401 112.124 114.554 -0.049 0.000 2.732 117 T HA -0.216 4.134 4.350 -0.000 0.000 0.261 117 T C 1.867 176.498 174.700 -0.114 0.000 1.040 117 T CA 1.160 63.190 62.100 -0.116 0.000 1.145 117 T CB -0.402 68.417 68.868 -0.080 0.000 0.866 117 T HN 0.419 nan 8.240 nan 0.000 0.427 118 H N 1.567 120.530 119.070 -0.178 0.000 2.352 118 H HA -0.095 4.461 4.556 -0.000 0.000 0.299 118 H C 2.369 177.951 175.328 0.423 0.000 1.097 118 H CA 1.930 57.989 56.048 0.019 0.000 1.311 118 H CB -0.088 29.453 29.762 -0.368 0.000 1.377 118 H HN 0.453 nan 8.280 nan 0.000 0.504 119 S N -0.600 115.247 115.700 0.244 0.000 2.489 119 S HA -0.087 4.383 4.470 -0.000 0.000 0.228 119 S C 0.552 175.198 174.600 0.077 0.000 0.995 119 S CA 0.608 58.853 58.200 0.075 0.000 0.934 119 S CB -0.518 62.628 63.200 -0.090 0.000 0.771 119 S HN 0.732 nan 8.310 nan 0.000 0.522 120 H N 0.649 119.698 119.070 -0.035 0.000 2.861 120 H HA -0.160 4.396 4.556 -0.000 0.000 0.289 120 H C 0.624 175.900 175.328 -0.087 0.000 1.176 120 H CA 0.083 56.112 56.048 -0.031 0.000 1.146 120 H CB -2.190 27.578 29.762 0.012 0.000 1.330 120 H HN 0.781 nan 8.280 nan 0.000 0.379 121 A N 1.175 123.981 122.820 -0.023 0.000 2.598 121 A HA -0.016 4.304 4.320 -0.000 0.000 0.239 121 A C 1.499 179.062 177.584 -0.034 0.000 1.032 121 A CA 0.363 52.360 52.037 -0.067 0.000 0.760 121 A CB 0.405 19.375 19.000 -0.050 0.000 0.946 121 A HN 0.328 nan 8.150 nan 0.000 0.512 122 R N 1.054 121.527 120.500 -0.045 0.000 2.210 122 R HA 0.321 4.661 4.340 -0.000 0.000 0.203 122 R C 0.552 176.844 176.300 -0.014 0.000 1.010 122 R CA 1.168 57.250 56.100 -0.030 0.000 1.008 122 R CB -0.888 29.385 30.300 -0.044 0.000 0.923 122 R HN 0.926 nan 8.270 nan 0.000 0.469 123 A N -0.299 122.517 122.820 -0.006 0.000 2.572 123 A HA 0.622 4.942 4.320 -0.000 0.000 0.295 123 A C -1.452 176.144 177.584 0.019 0.000 1.072 123 A CA -0.591 51.459 52.037 0.022 0.000 0.691 123 A CB 2.062 21.097 19.000 0.058 0.000 1.291 123 A HN -0.065 nan 8.150 nan 0.000 0.404 124 V N 2.234 122.158 119.914 0.017 0.000 2.531 124 V HA 0.698 4.817 4.120 -0.000 0.000 0.301 124 V C -1.654 174.436 176.094 -0.006 0.000 1.034 124 V CA -0.630 61.666 62.300 -0.007 0.000 0.865 124 V CB 1.266 33.063 31.823 -0.044 0.000 0.995 124 V HN 0.691 nan 8.190 nan 0.000 0.424 125 I N 6.793 127.349 120.570 -0.023 0.000 2.321 125 I HA 0.788 4.958 4.170 -0.000 0.000 0.291 125 I C 0.446 176.477 176.117 -0.143 0.000 0.998 125 I CA -0.073 61.182 61.300 -0.074 0.000 1.227 125 I CB 1.422 39.339 38.000 -0.138 0.000 1.368 125 I HN 0.790 nan 8.210 nan 0.000 0.466 126 A N 4.216 126.950 122.820 -0.144 0.000 2.356 126 A HA 0.755 5.075 4.320 -0.000 0.000 0.310 126 A C -0.152 177.344 177.584 -0.147 0.000 1.075 126 A CA -0.576 51.366 52.037 -0.159 0.000 0.746 126 A CB 0.909 19.817 19.000 -0.152 0.000 1.221 126 A HN 0.563 nan 8.150 nan 0.000 0.443 127 S N 1.042 116.654 115.700 -0.146 0.000 2.563 127 S HA 0.275 4.745 4.470 -0.000 0.000 0.284 127 S C 1.775 176.328 174.600 -0.078 0.000 1.331 127 S CA 0.316 58.449 58.200 -0.112 0.000 1.047 127 S CB 1.119 64.264 63.200 -0.091 0.000 0.859 127 S HN 1.199 nan 8.310 nan 0.000 0.514 128 G N 2.092 110.858 108.800 -0.056 0.000 2.505 128 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.220 128 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.220 128 G C 1.479 176.361 174.900 -0.029 0.000 1.145 128 G CA 0.926 46.005 45.100 -0.035 0.000 0.761 128 G HN 0.837 nan 8.290 nan 0.000 0.571 129 A N 0.020 122.825 122.820 -0.026 0.000 2.019 129 A HA 0.139 4.459 4.320 -0.000 0.000 0.219 129 A C 2.019 179.591 177.584 -0.019 0.000 1.164 129 A CA 1.207 53.235 52.037 -0.015 0.000 0.644 129 A CB -0.137 18.860 19.000 -0.005 0.000 0.805 129 A HN 0.300 nan 8.150 nan 0.000 0.449 130 L N -0.615 120.582 121.223 -0.043 0.000 2.592 130 L HA 0.093 4.433 4.340 -0.000 0.000 0.227 130 L C 2.129 178.950 176.870 -0.080 0.000 1.127 130 L CA 0.466 55.268 54.840 -0.064 0.000 0.884 130 L CB -1.093 40.894 42.059 -0.119 0.000 1.065 130 L HN 0.160 nan 8.230 nan 0.000 0.457 131 V N 0.030 119.908 119.914 -0.060 0.000 2.332 131 V HA -0.343 3.777 4.120 -0.000 0.000 0.248 131 V C 2.687 178.759 176.094 -0.036 0.000 1.055 131 V CA 1.923 64.191 62.300 -0.054 0.000 1.038 131 V CB -0.439 31.363 31.823 -0.036 0.000 0.651 131 V HN 0.548 nan 8.190 nan 0.000 0.450 132 Q N -0.044 119.746 119.800 -0.018 0.000 2.050 132 Q HA -0.249 4.091 4.340 -0.000 0.000 0.202 132 Q C 2.181 178.188 176.000 0.011 0.000 0.980 132 Q CA 2.027 57.830 55.803 -0.001 0.000 0.840 132 Q CB -0.101 28.640 28.738 0.006 0.000 0.898 132 Q HN 0.642 nan 8.270 nan 0.000 0.424 133 N N -0.244 118.470 118.700 0.024 0.000 2.120 133 N HA -0.127 4.613 4.740 -0.000 0.000 0.188 133 N C 1.774 177.321 175.510 0.063 0.000 1.024 133 N CA 1.343 54.441 53.050 0.081 0.000 0.852 133 N CB -0.304 38.286 38.487 0.172 0.000 1.003 133 N HN 0.098 nan 8.380 nan 0.000 0.424 134 V N 0.734 120.613 119.914 -0.059 0.000 2.453 134 V HA -0.147 3.973 4.120 -0.000 0.000 0.247 134 V C 2.124 178.196 176.094 -0.037 0.000 1.048 134 V CA 1.585 63.815 62.300 -0.116 0.000 1.049 134 V CB -0.844 30.837 31.823 -0.237 0.000 0.672 134 V HN 0.326 nan 8.190 nan 0.000 0.457 135 T N -0.592 113.947 114.554 -0.025 0.000 2.708 135 T HA -0.300 4.050 4.350 -0.000 0.000 0.266 135 T C 1.914 176.619 174.700 0.009 0.000 1.037 135 T CA 1.993 64.088 62.100 -0.008 0.000 1.146 135 T CB -0.239 68.624 68.868 -0.007 0.000 0.865 135 T HN 0.520 nan 8.240 nan 0.000 0.435 136 Q N 0.487 120.299 119.800 0.019 0.000 2.096 136 Q HA -0.141 4.199 4.340 -0.000 0.000 0.204 136 Q C 2.473 178.496 176.000 0.039 0.000 0.982 136 Q CA 1.579 57.399 55.803 0.029 0.000 0.850 136 Q CB -0.302 28.457 28.738 0.036 0.000 0.901 136 Q HN 0.556 nan 8.270 nan 0.000 0.422 137 A N 0.519 123.374 122.820 0.059 0.000 1.902 137 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 137 A C 2.017 179.628 177.584 0.045 0.000 1.181 137 A CA 1.246 53.328 52.037 0.075 0.000 0.623 137 A CB -0.696 18.388 19.000 0.140 0.000 0.818 137 A HN 0.451 nan 8.150 nan 0.000 0.443 138 L N -0.768 120.470 121.223 0.026 0.000 2.141 138 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 138 L C 2.443 179.320 176.870 0.012 0.000 1.094 138 L CA 1.426 56.274 54.840 0.013 0.000 0.763 138 L CB -0.450 41.611 42.059 0.002 0.000 0.908 138 L HN 0.462 nan 8.230 nan 0.000 0.437 139 E N -0.699 119.509 120.200 0.014 0.000 2.274 139 E HA -0.059 4.291 4.350 -0.000 0.000 0.194 139 E C 0.516 177.124 176.600 0.013 0.000 0.996 139 E CA 0.383 56.790 56.400 0.012 0.000 0.840 139 E CB 0.146 29.852 29.700 0.011 0.000 0.772 139 E HN 0.263 nan 8.360 nan 0.000 0.491 140 S N 0.978 116.688 115.700 0.018 0.000 2.955 140 S HA 0.507 4.977 4.470 -0.000 0.000 0.294 140 S C -0.361 174.248 174.600 0.015 0.000 1.198 140 S CA -0.461 57.749 58.200 0.017 0.000 1.008 140 S CB 0.919 64.132 63.200 0.023 0.000 1.279 140 S HN 0.269 nan 8.310 nan 0.000 0.508 146 C N 2.124 121.420 119.300 -0.007 0.000 2.633 146 C HA 0.501 4.961 4.460 -0.000 0.000 0.415 146 C C 0.798 175.788 174.990 0.000 0.000 1.393 146 C CA 0.230 59.244 59.018 -0.006 0.000 1.700 146 C CB -0.636 27.099 27.740 -0.008 0.000 2.541 146 C HN 0.545 nan 8.230 nan 0.000 0.603 147 Q N 3.569 123.373 119.800 0.006 0.000 2.235 147 Q HA 0.530 4.869 4.340 -0.000 0.000 0.250 147 Q C -0.582 175.430 176.000 0.020 0.000 0.909 147 Q CA -0.539 55.272 55.803 0.015 0.000 0.910 147 Q CB 1.660 30.411 28.738 0.022 0.000 1.223 147 Q HN 0.713 nan 8.270 nan 0.000 0.432 148 L N 3.394 124.628 121.223 0.018 0.000 2.289 148 L HA 0.506 4.846 4.340 -0.000 0.000 0.285 148 L C -1.353 175.539 176.870 0.037 0.000 1.049 148 L CA 0.079 54.927 54.840 0.014 0.000 0.804 148 L CB 0.731 42.790 42.059 0.000 0.000 1.195 148 L HN 0.537 nan 8.230 nan 0.000 0.428 149 I N 5.356 125.956 120.570 0.050 0.000 2.465 149 I HA 0.446 4.616 4.170 -0.000 0.000 0.291 149 I C -0.906 175.239 176.117 0.047 0.000 1.014 149 I CA -0.929 60.425 61.300 0.090 0.000 1.093 149 I CB 2.082 40.195 38.000 0.187 0.000 1.267 149 I HN 0.220 nan 8.210 nan 0.000 0.431 150 V N 4.180 124.128 119.914 0.056 0.000 2.417 150 V HA 0.340 4.460 4.120 -0.000 0.000 0.291 150 V C 0.079 176.190 176.094 0.029 0.000 1.024 150 V CA -0.460 61.848 62.300 0.013 0.000 0.861 150 V CB 1.673 33.501 31.823 0.008 0.000 0.985 150 V HN 0.790 nan 8.190 nan 0.000 0.436 151 S N 4.487 120.149 115.700 -0.064 0.000 2.442 151 S HA 0.412 4.882 4.470 -0.000 0.000 0.297 151 S C -0.432 174.136 174.600 -0.053 0.000 1.131 151 S CA -0.735 57.408 58.200 -0.094 0.000 1.092 151 S CB 0.841 63.821 63.200 -0.368 0.000 0.998 151 S HN 0.664 nan 8.310 nan 0.000 0.478 152 Q N 4.884 124.684 119.800 -0.000 0.000 2.430 152 Q HA 0.394 4.734 4.340 -0.000 0.000 0.245 152 Q C -2.025 173.970 176.000 -0.008 0.000 1.021 152 Q CA -1.700 54.101 55.803 -0.004 0.000 0.867 152 Q CB 0.638 29.383 28.738 0.013 0.000 1.210 152 Q HN 0.595 nan 8.270 nan 0.000 0.487 161 A N 5.051 127.879 122.820 0.014 0.000 2.332 161 A HA 0.845 5.165 4.320 -0.000 0.000 0.258 161 A C -2.386 175.215 177.584 0.029 0.000 1.087 161 A CA -1.031 51.018 52.037 0.021 0.000 0.802 161 A CB -0.429 18.582 19.000 0.019 0.000 1.042 161 A HN 0.558 nan 8.150 nan 0.000 0.489 162 P HA 0.266 nan 4.420 nan 0.000 0.269 162 P C -1.023 176.319 177.300 0.069 0.000 1.209 162 P CA 0.234 63.364 63.100 0.050 0.000 0.776 162 P CB 0.258 31.993 31.700 0.058 0.000 0.876 163 L N 3.223 124.487 121.223 0.068 0.000 2.275 163 L HA 0.288 4.627 4.340 -0.000 0.000 0.288 163 L C 1.587 178.535 176.870 0.131 0.000 1.046 163 L CA -0.635 54.260 54.840 0.092 0.000 0.805 163 L CB 0.456 42.552 42.059 0.062 0.000 1.193 163 L HN 0.333 nan 8.230 nan 0.000 0.426 164 F N 2.303 122.252 119.950 -0.001 0.000 2.063 164 F HA -0.293 4.234 4.527 -0.000 0.000 0.298 164 F C 2.241 178.035 175.800 -0.011 0.000 1.105 164 F CA 2.055 60.045 58.000 -0.016 0.000 1.215 164 F CB 0.189 39.129 39.000 -0.099 0.000 0.972 164 F HN 0.592 nan 8.300 nan 0.000 0.483 165 E N 0.479 120.699 120.200 0.033 0.000 2.077 165 E HA -0.199 4.150 4.350 -0.000 0.000 0.193 165 E C 2.213 178.756 176.600 -0.096 0.000 0.989 165 E CA 1.588 57.933 56.400 -0.090 0.000 0.800 165 E CB -0.558 29.152 29.700 0.018 0.000 0.746 165 E HN 0.638 nan 8.360 nan 0.000 0.452 166 E N 0.444 120.624 120.200 -0.034 0.000 2.106 166 E HA -0.098 4.252 4.350 -0.000 0.000 0.192 166 E C 2.324 178.902 176.600 -0.036 0.000 0.984 166 E CA 0.500 56.884 56.400 -0.025 0.000 0.806 166 E CB -0.106 29.594 29.700 0.001 0.000 0.750 166 E HN 0.211 nan 8.360 nan 0.000 0.458 167 L N 0.663 121.866 121.223 -0.034 0.000 2.083 167 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 167 L C 2.436 179.274 176.870 -0.053 0.000 1.083 167 L CA 0.970 55.797 54.840 -0.022 0.000 0.752 167 L CB -0.361 41.719 42.059 0.035 0.000 0.899 167 L HN 0.169 nan 8.230 nan 0.000 0.433 168 I N -0.410 120.083 120.570 -0.128 0.000 2.233 168 I HA -0.255 3.915 4.170 -0.000 0.000 0.243 168 I C 2.114 178.173 176.117 -0.096 0.000 1.093 168 I CA 1.008 62.225 61.300 -0.137 0.000 1.380 168 I CB -0.386 37.440 38.000 -0.290 0.000 1.067 168 I HN 0.221 nan 8.210 nan 0.000 0.413 169 D N 1.349 121.695 120.400 -0.090 0.000 2.133 169 D HA -0.191 4.449 4.640 -0.000 0.000 0.195 169 D C 2.128 178.400 176.300 -0.047 0.000 0.997 169 D CA 1.714 55.677 54.000 -0.061 0.000 0.840 169 D CB -0.151 40.620 40.800 -0.048 0.000 0.947 169 D HN 0.369 nan 8.370 nan 0.000 0.452 170 A N 0.032 122.827 122.820 -0.041 0.000 2.167 170 A HA 0.356 4.676 4.320 -0.000 0.000 0.214 170 A C 1.189 178.753 177.584 -0.032 0.000 1.151 170 A CA 0.721 52.740 52.037 -0.031 0.000 0.735 170 A CB -0.063 18.923 19.000 -0.023 0.000 0.802 170 A HN 0.211 nan 8.150 nan 0.000 0.467 171 A N -0.388 122.408 122.820 -0.040 0.000 2.303 171 A HA 0.718 5.037 4.320 -0.000 0.000 0.317 171 A C 0.419 177.977 177.584 -0.043 0.000 1.149 171 A CA 0.047 52.059 52.037 -0.040 0.000 0.822 171 A CB 0.434 19.408 19.000 -0.044 0.000 1.131 171 A HN 1.045 nan 8.150 nan 0.000 0.493 172 A N 2.588 125.385 122.820 -0.038 0.000 2.340 172 A HA 0.689 5.009 4.320 -0.000 0.000 0.268 172 A C -2.424 175.132 177.584 -0.047 0.000 1.100 172 A CA -1.682 50.330 52.037 -0.040 0.000 0.803 172 A CB -0.208 18.774 19.000 -0.030 0.000 1.043 172 A HN 0.625 nan 8.150 nan 0.000 0.488 173 P HA 0.217 nan 4.420 nan 0.000 0.267 173 P C -0.078 177.196 177.300 -0.044 0.000 1.209 173 P CA 0.294 63.341 63.100 -0.088 0.000 0.763 173 P CB 0.541 32.166 31.700 -0.126 0.000 0.816 174 A N 3.821 126.634 122.820 -0.013 0.000 2.540 174 A HA 0.304 4.623 4.320 -0.000 0.000 0.239 174 A C 1.675 179.355 177.584 0.161 0.000 1.061 174 A CA 0.384 52.481 52.037 0.099 0.000 0.758 174 A CB -0.205 18.928 19.000 0.221 0.000 0.991 174 A HN 0.610 nan 8.150 nan 0.000 0.502 175 A N 2.169 125.063 122.820 0.122 0.000 2.014 175 A HA 0.167 4.486 4.320 -0.000 0.000 0.218 175 A C 1.105 178.780 177.584 0.152 0.000 1.163 175 A CA 1.711 53.809 52.037 0.101 0.000 0.652 175 A CB -0.042 18.985 19.000 0.046 0.000 0.808 175 A HN 0.772 nan 8.150 nan 0.000 0.449 176 K N -1.490 119.006 120.400 0.161 0.000 2.527 176 K HA 0.581 4.901 4.320 -0.000 0.000 0.260 176 K C -0.883 175.583 176.600 -0.224 0.000 0.937 176 K CA -0.400 55.910 56.287 0.038 0.000 0.826 176 K CB 1.931 34.417 32.500 -0.024 0.000 1.359 176 K HN 0.202 nan 8.250 nan 0.000 0.434 177 A N 1.872 124.310 122.820 -0.635 0.000 2.386 177 A HA 0.562 4.882 4.320 -0.000 0.000 0.248 177 A C 0.042 177.357 177.584 -0.448 0.000 1.082 177 A CA 0.181 51.595 52.037 -1.038 0.000 0.789 177 A CB 0.308 18.709 19.000 -0.999 0.000 1.025 177 A HN 0.841 nan 8.150 nan 0.000 0.490 178 A N 0.713 123.325 122.820 -0.347 0.000 2.547 178 A HA 0.419 4.739 4.320 -0.000 0.000 0.233 178 A C 0.998 178.469 177.584 -0.189 0.000 1.067 178 A CA 0.424 52.344 52.037 -0.195 0.000 0.763 178 A CB -0.252 18.672 19.000 -0.126 0.000 1.007 178 A HN 2.168 nan 8.150 nan 0.000 0.506 179 A N 2.591 125.335 122.820 -0.127 0.000 3.077 179 A HA 0.477 4.797 4.320 -0.000 0.000 0.255 179 A C 0.945 178.475 177.584 -0.090 0.000 1.728 179 A CA 0.350 52.324 52.037 -0.105 0.000 1.383 179 A CB -1.512 17.445 19.000 -0.071 0.000 1.097 179 A HN 1.213 nan 8.150 nan 0.000 0.634 180 T N -1.784 112.687 114.554 -0.138 0.000 2.874 180 T HA 0.670 5.020 4.350 -0.000 0.000 0.281 180 T C 0.480 175.123 174.700 -0.094 0.000 0.994 180 T CA -0.063 61.963 62.100 -0.123 0.000 1.015 180 T CB 1.831 70.539 68.868 -0.266 0.000 1.028 180 T HN 0.575 nan 8.240 nan 0.000 0.523 181 G N -1.240 107.557 108.800 -0.005 0.000 2.735 181 G HA2 0.441 4.401 3.960 -0.000 0.000 0.301 181 G HA3 0.441 4.401 3.960 -0.000 0.000 0.301 181 G C 0.915 175.914 174.900 0.165 0.000 1.279 181 G CA -0.754 44.383 45.100 0.061 0.000 1.019 181 G HN 0.924 nan 8.290 nan 0.000 0.497 182 C N -0.487 118.919 119.300 0.176 0.000 2.391 182 C HA -0.066 4.394 4.460 -0.000 0.000 0.276 182 C C 2.075 177.192 174.990 0.211 0.000 1.217 182 C CA 1.163 60.289 59.018 0.180 0.000 1.766 182 C CB -0.424 27.288 27.740 -0.046 0.000 2.046 182 C HN 0.678 nan 8.230 nan 0.000 0.475 183 D N -0.028 120.457 120.400 0.141 0.000 2.339 183 D HA 0.070 4.710 4.640 -0.000 0.000 0.217 183 D C 0.175 176.551 176.300 0.127 0.000 1.050 183 D CA 0.469 54.539 54.000 0.116 0.000 0.856 183 D CB -0.393 40.444 40.800 0.062 0.000 0.922 183 D HN 0.526 nan 8.370 nan 0.000 0.518 184 D N 0.513 121.023 120.400 0.183 0.000 2.414 184 D HA 0.076 4.716 4.640 -0.000 0.000 0.242 184 D C 0.916 177.336 176.300 0.200 0.000 1.129 184 D CA -0.126 53.988 54.000 0.189 0.000 0.885 184 D CB 1.324 42.242 40.800 0.198 0.000 1.198 184 D HN 0.070 nan 8.370 nan 0.000 0.437 185 I N 1.730 122.372 120.570 0.120 0.000 2.741 185 I HA -0.084 4.085 4.170 -0.000 0.000 0.288 185 I C 1.254 177.394 176.117 0.039 0.000 1.192 185 I CA 0.302 61.640 61.300 0.064 0.000 1.426 185 I CB 0.830 38.880 38.000 0.084 0.000 1.367 185 I HN 0.438 nan 8.210 nan 0.000 0.563 186 A N 7.389 130.168 122.820 -0.068 0.000 2.026 186 A HA 0.402 4.722 4.320 -0.000 0.000 0.201 186 A C 0.262 177.894 177.584 0.080 0.000 1.318 186 A CA 0.302 52.234 52.037 -0.174 0.000 0.857 186 A CB 0.368 19.021 19.000 -0.577 0.000 0.939 186 A HN 0.719 nan 8.150 nan 0.000 0.476 187 F N -4.802 115.157 119.950 0.016 0.000 2.773 187 F HA 0.726 5.253 4.527 -0.000 0.000 0.314 187 F C -2.138 173.898 175.800 0.392 0.000 1.160 187 F CA -1.817 56.239 58.000 0.094 0.000 0.920 187 F CB 0.525 39.620 39.000 0.157 0.000 1.323 187 F HN -0.022 nan 8.300 nan 0.000 0.457 188 W N 1.976 123.340 121.300 0.107 0.000 2.864 188 W HA 0.821 5.480 4.660 -0.000 0.000 0.343 188 W C -1.486 175.179 176.519 0.244 0.000 1.109 188 W CA -1.875 55.463 57.345 -0.012 0.000 1.192 188 W CB 1.552 30.906 29.460 -0.177 0.000 1.426 188 W HN 0.575 nan 8.180 nan 0.000 0.529 189 L N 1.632 123.128 121.223 0.455 0.000 2.354 189 L HA 0.454 4.794 4.340 -0.000 0.000 0.269 189 L C -0.998 176.033 176.870 0.268 0.000 1.005 189 L CA -1.316 53.777 54.840 0.420 0.000 0.819 189 L CB 1.635 43.992 42.059 0.497 0.000 1.311 189 L HN 0.187 nan 8.230 nan 0.000 0.423 190 Y N 0.847 121.381 120.300 0.390 0.000 2.316 190 Y HA 0.316 4.866 4.550 -0.000 0.000 0.331 190 Y C 0.682 176.732 175.900 0.250 0.000 1.083 190 Y CA 0.480 58.766 58.100 0.310 0.000 1.206 190 Y CB 1.818 40.442 38.460 0.274 0.000 1.195 190 Y HN 0.516 nan 8.280 nan 0.000 0.497 198 P HA 0.201 nan 4.420 nan 0.000 0.269 198 P C -0.897 176.467 177.300 0.107 0.000 1.209 198 P CA -0.179 62.860 63.100 -0.102 0.000 0.776 198 P CB 0.496 32.124 31.700 -0.120 0.000 0.876 199 K N 1.050 121.532 120.400 0.136 0.000 2.213 199 K HA 0.448 4.768 4.320 -0.000 0.000 0.270 199 K C 0.540 177.327 176.600 0.312 0.000 1.002 199 K CA -0.608 55.718 56.287 0.064 0.000 0.868 199 K CB 1.329 33.504 32.500 -0.541 0.000 1.093 199 K HN 0.565 nan 8.250 nan 0.000 0.454 200 G N 2.351 111.329 108.800 0.298 0.000 2.404 200 G HA2 0.018 3.977 3.960 -0.000 0.000 0.289 200 G HA3 0.018 3.977 3.960 -0.000 0.000 0.289 200 G C -0.282 174.532 174.900 -0.144 0.000 1.074 200 G CA -0.123 44.906 45.100 -0.117 0.000 1.210 200 G HN 0.439 nan 8.290 nan 0.000 0.434 201 T N 2.530 117.062 114.554 -0.038 0.000 2.727 201 T HA 0.292 4.642 4.350 -0.000 0.000 0.298 201 T C 0.362 174.863 174.700 -0.332 0.000 0.942 201 T CA -0.287 61.806 62.100 -0.013 0.000 0.997 201 T CB 1.481 70.483 68.868 0.223 0.000 0.917 201 T HN 0.213 nan 8.240 nan 0.000 0.487 202 V N 6.042 125.625 119.914 -0.551 0.000 2.385 202 V HA 0.272 4.392 4.120 -0.000 0.000 0.269 202 V C 0.163 175.870 176.094 -0.645 0.000 1.043 202 V CA -0.646 61.312 62.300 -0.571 0.000 0.906 202 V CB 0.269 31.809 31.823 -0.472 0.000 0.995 202 V HN 0.802 nan 8.190 nan 0.000 0.467 203 H N 2.257 121.026 119.070 -0.502 0.000 2.573 203 H HA 0.538 5.094 4.556 -0.000 0.000 0.351 203 H C 0.270 175.357 175.328 -0.401 0.000 1.163 203 H CA -0.301 55.397 56.048 -0.584 0.000 1.205 203 H CB 2.389 31.465 29.762 -1.143 0.000 1.605 203 H HN 0.729 nan 8.280 nan 0.000 0.525 204 T N -1.928 112.622 114.554 -0.007 0.000 2.881 204 T HA 0.124 4.474 4.350 -0.000 0.000 0.278 204 T C 1.126 175.922 174.700 0.161 0.000 0.982 204 T CA -0.415 61.733 62.100 0.080 0.000 0.989 204 T CB 1.006 69.960 68.868 0.144 0.000 1.058 204 T HN 0.564 nan 8.240 nan 0.000 0.529 205 H N 0.645 119.879 119.070 0.273 0.000 2.319 205 H HA 0.065 4.621 4.556 -0.000 0.000 0.299 205 H C 2.525 178.089 175.328 0.395 0.000 1.092 205 H CA 2.285 58.555 56.048 0.370 0.000 1.302 205 H CB -0.573 29.438 29.762 0.414 0.000 1.373 205 H HN 0.792 nan 8.280 nan 0.000 0.497 206 A N 0.879 123.947 122.820 0.413 0.000 1.972 206 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 206 A C 2.018 179.814 177.584 0.354 0.000 1.169 206 A CA 1.705 53.887 52.037 0.241 0.000 0.635 206 A CB -0.300 18.825 19.000 0.209 0.000 0.810 206 A HN 0.414 nan 8.150 nan 0.000 0.446 207 N N 0.264 119.177 118.700 0.355 0.000 2.149 207 N HA -0.125 4.615 4.740 -0.000 0.000 0.188 207 N C 1.582 177.248 175.510 0.260 0.000 1.019 207 N CA 1.407 54.675 53.050 0.364 0.000 0.857 207 N CB -0.547 38.145 38.487 0.342 0.000 0.997 207 N HN 0.531 nan 8.380 nan 0.000 0.426 208 L N -0.377 120.902 121.223 0.093 0.000 1.994 208 L HA -0.212 4.127 4.340 -0.000 0.000 0.208 208 L C 2.341 179.141 176.870 -0.117 0.000 1.071 208 L CA 1.408 56.108 54.840 -0.233 0.000 0.745 208 L CB -0.722 40.727 42.059 -1.016 0.000 0.892 208 L HN 0.147 nan 8.230 nan 0.000 0.431 209 Y N -0.355 119.846 120.300 -0.165 0.000 2.081 209 Y HA -0.330 4.220 4.550 -0.000 0.000 0.280 209 Y C 2.217 178.067 175.900 -0.083 0.000 1.163 209 Y CA 1.629 59.743 58.100 0.024 0.000 1.135 209 Y CB -0.655 37.688 38.460 -0.195 0.000 0.970 209 Y HN 0.074 nan 8.280 nan 0.000 0.498 210 W N 0.666 122.041 121.300 0.125 0.000 2.342 210 W HA -0.223 4.437 4.660 -0.000 0.000 0.297 210 W C 2.857 179.411 176.519 0.058 0.000 1.213 210 W CA 2.238 59.589 57.345 0.011 0.000 1.251 210 W CB -0.802 28.707 29.460 0.081 0.000 1.136 210 W HN 0.274 nan 8.180 nan 0.000 0.526 211 T N -2.204 112.560 114.554 0.351 0.000 2.777 211 T HA -0.117 4.233 4.350 -0.000 0.000 0.266 211 T C 1.912 176.746 174.700 0.223 0.000 1.040 211 T CA 1.487 63.822 62.100 0.392 0.000 1.141 211 T CB -0.860 68.287 68.868 0.465 0.000 0.868 211 T HN 0.083 nan 8.240 nan 0.000 0.444 212 A N 1.808 124.736 122.820 0.181 0.000 1.902 212 A HA -0.087 4.232 4.320 -0.000 0.000 0.217 212 A C 2.477 179.958 177.584 -0.172 0.000 1.181 212 A CA 1.509 53.521 52.037 -0.041 0.000 0.623 212 A CB -0.541 18.574 19.000 0.192 0.000 0.818 212 A HN 0.480 nan 8.150 nan 0.000 0.443 213 E N -0.207 119.876 120.200 -0.195 0.000 2.107 213 E HA -0.047 4.302 4.350 -0.000 0.000 0.191 213 E C 2.018 178.603 176.600 -0.025 0.000 0.982 213 E CA 0.963 57.236 56.400 -0.211 0.000 0.809 213 E CB -0.224 29.176 29.700 -0.500 0.000 0.756 213 E HN 0.695 nan 8.360 nan 0.000 0.459 214 L N -1.223 120.066 121.223 0.110 0.000 2.253 214 L HA 0.009 4.348 4.340 -0.000 0.000 0.205 214 L C 2.337 179.318 176.870 0.184 0.000 1.078 214 L CA 0.538 55.498 54.840 0.199 0.000 0.805 214 L CB -0.241 42.018 42.059 0.334 0.000 0.963 214 L HN 0.059 nan 8.230 nan 0.000 0.459 215 Y N 0.529 120.839 120.300 0.016 0.000 2.284 215 Y HA 0.197 4.747 4.550 -0.000 0.000 0.293 215 Y C 2.480 178.209 175.900 -0.286 0.000 1.140 215 Y CA 0.855 58.906 58.100 -0.082 0.000 1.153 215 Y CB -0.207 38.241 38.460 -0.020 0.000 1.114 215 Y HN -0.032 nan 8.280 nan 0.000 0.521 216 A N 0.841 123.187 122.820 -0.790 0.000 1.873 216 A HA -0.120 4.200 4.320 -0.000 0.000 0.215 216 A C 2.099 179.345 177.584 -0.563 0.000 1.186 216 A CA 1.997 53.404 52.037 -1.050 0.000 0.616 216 A CB -0.535 17.534 19.000 -1.552 0.000 0.823 216 A HN 0.505 nan 8.150 nan 0.000 0.442 217 K N -0.585 119.595 120.400 -0.368 0.000 1.984 217 K HA -0.053 4.267 4.320 -0.000 0.000 0.209 217 K C -0.690 175.796 176.600 -0.191 0.000 1.046 217 K CA 1.638 57.795 56.287 -0.216 0.000 0.934 217 K CB -1.005 31.413 32.500 -0.137 0.000 0.717 217 K HN 0.347 nan 8.250 nan 0.000 0.438 218 P HA -0.079 nan 4.420 nan 0.000 0.218 218 P C 0.919 178.133 177.300 -0.144 0.000 1.152 218 P CA 1.013 64.045 63.100 -0.113 0.000 0.826 218 P CB 0.206 31.877 31.700 -0.048 0.000 0.790 219 I N -1.914 118.499 120.570 -0.262 0.000 2.947 219 I HA 0.047 4.216 4.170 -0.000 0.000 0.263 219 I C 1.971 177.904 176.117 -0.306 0.000 1.130 219 I CA 0.697 61.843 61.300 -0.257 0.000 1.448 219 I CB -1.355 36.478 38.000 -0.278 0.000 1.222 219 I HN -0.076 nan 8.210 nan 0.000 0.453 220 L N 1.672 122.592 121.223 -0.504 0.000 2.270 220 L HA 0.276 4.616 4.340 -0.000 0.000 0.210 220 L C 1.387 178.130 176.870 -0.211 0.000 1.104 220 L CA 1.367 55.989 54.840 -0.363 0.000 0.804 220 L CB -0.557 41.215 42.059 -0.478 0.000 0.937 220 L HN 0.478 nan 8.230 nan 0.000 0.450 221 G N 0.632 109.307 108.800 -0.209 0.000 2.198 221 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.260 221 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.260 221 G C 0.529 175.369 174.900 -0.100 0.000 1.025 221 G CA 0.508 45.531 45.100 -0.127 0.000 0.769 221 G HN 0.446 nan 8.290 nan 0.000 0.507 222 I N 0.786 121.283 120.570 -0.121 0.000 2.683 222 I HA 0.406 4.576 4.170 -0.000 0.000 0.286 222 I C 0.700 176.797 176.117 -0.034 0.000 1.175 222 I CA 0.703 61.969 61.300 -0.056 0.000 1.429 222 I CB 0.497 38.487 38.000 -0.017 0.000 1.371 222 I HN 0.508 nan 8.210 nan 0.000 0.569 223 A N 6.757 129.572 122.820 -0.008 0.000 2.479 223 A HA 0.310 4.630 4.320 -0.000 0.000 0.296 223 A C 0.710 178.298 177.584 0.006 0.000 1.121 223 A CA -0.614 51.419 52.037 -0.008 0.000 0.743 223 A CB 1.403 20.397 19.000 -0.011 0.000 1.323 223 A HN 0.759 nan 8.150 nan 0.000 0.415 224 E N 0.684 120.882 120.200 -0.004 0.000 2.147 224 E HA -0.248 4.102 4.350 -0.000 0.000 0.199 224 E C 0.832 177.440 176.600 0.012 0.000 1.005 224 E CA 2.103 58.500 56.400 -0.005 0.000 0.810 224 E CB 0.044 29.727 29.700 -0.027 0.000 0.736 224 E HN 0.653 nan 8.360 nan 0.000 0.460 225 N N 1.019 119.726 118.700 0.011 0.000 2.398 225 N HA -0.031 4.709 4.740 -0.000 0.000 0.188 225 N C -0.525 175.002 175.510 0.027 0.000 1.122 225 N CA 0.045 53.105 53.050 0.018 0.000 0.866 225 N CB 0.159 38.653 38.487 0.012 0.000 0.970 225 N HN 0.046 nan 8.380 nan 0.000 0.462 226 D N -0.355 120.064 120.400 0.031 0.000 2.339 226 D HA 0.110 4.749 4.640 -0.000 0.000 0.245 226 D C -0.477 175.855 176.300 0.053 0.000 1.115 226 D CA 0.091 54.116 54.000 0.041 0.000 0.917 226 D CB 1.738 42.562 40.800 0.041 0.000 1.192 226 D HN -0.237 nan 8.370 nan 0.000 0.428 227 V N 2.300 122.252 119.914 0.063 0.000 2.407 227 V HA 0.289 4.409 4.120 -0.000 0.000 0.291 227 V C 0.104 176.269 176.094 0.119 0.000 1.018 227 V CA -0.751 61.593 62.300 0.075 0.000 0.842 227 V CB 1.658 33.522 31.823 0.068 0.000 0.996 227 V HN 0.387 nan 8.190 nan 0.000 0.426 228 V N 2.653 122.660 119.914 0.155 0.000 2.815 228 V HA 0.827 4.947 4.120 -0.000 0.000 0.314 228 V C -1.174 175.156 176.094 0.393 0.000 1.064 228 V CA -0.770 61.675 62.300 0.242 0.000 0.952 228 V CB 2.084 34.094 31.823 0.310 0.000 1.020 228 V HN 0.680 nan 8.190 nan 0.000 0.439 229 F N 3.039 123.152 119.950 0.272 0.000 2.730 229 F HA 0.684 5.211 4.527 -0.000 0.000 0.335 229 F C -0.394 175.626 175.800 0.366 0.000 1.212 229 F CA -0.732 57.445 58.000 0.294 0.000 1.016 229 F CB 1.555 40.741 39.000 0.310 0.000 1.290 229 F HN 0.779 nan 8.300 nan 0.000 0.495 230 S N 4.749 120.383 115.700 -0.110 0.000 2.422 230 S HA 0.637 5.107 4.470 -0.000 0.000 0.298 230 S C 1.030 175.167 174.600 -0.771 0.000 1.118 230 S CA 0.145 58.075 58.200 -0.450 0.000 1.083 230 S CB 1.106 63.945 63.200 -0.601 0.000 0.971 230 S HN 0.950 nan 8.310 nan 0.000 0.478 231 A N 4.848 127.171 122.820 -0.829 0.000 1.972 231 A HA 0.273 4.593 4.320 -0.000 0.000 0.219 231 A C 1.317 178.737 177.584 -0.274 0.000 1.169 231 A CA 1.193 52.959 52.037 -0.452 0.000 0.635 231 A CB -0.898 17.971 19.000 -0.219 0.000 0.810 231 A HN 1.166 nan 8.150 nan 0.000 0.446 232 A N 0.983 123.609 122.820 -0.323 0.000 2.488 232 A HA 0.442 4.761 4.320 -0.000 0.000 0.249 232 A C 0.245 177.646 177.584 -0.306 0.000 1.083 232 A CA -0.424 51.495 52.037 -0.198 0.000 0.768 232 A CB 0.167 19.059 19.000 -0.179 0.000 1.017 232 A HN 0.281 nan 8.150 nan 0.000 0.496 233 K N 2.241 122.450 120.400 -0.318 0.000 2.219 233 K HA 0.176 4.496 4.320 -0.000 0.000 0.258 233 K C 1.099 177.428 176.600 -0.451 0.000 1.008 233 K CA -0.283 55.752 56.287 -0.420 0.000 0.928 233 K CB 0.507 32.611 32.500 -0.659 0.000 0.983 233 K HN 0.672 nan 8.250 nan 0.000 0.484 234 L N 1.197 122.240 121.223 -0.300 0.000 2.275 234 L HA -0.148 4.191 4.340 -0.000 0.000 0.215 234 L C 1.919 178.693 176.870 -0.160 0.000 1.119 234 L CA 0.995 55.679 54.840 -0.261 0.000 0.790 234 L CB -0.453 41.474 42.059 -0.220 0.000 0.919 234 L HN 0.600 nan 8.230 nan 0.000 0.443 235 F N -1.623 118.329 119.950 0.003 0.000 2.558 235 F HA 0.035 4.561 4.527 -0.001 0.000 0.298 235 F C 0.839 176.757 175.800 0.197 0.000 1.119 235 F CA -0.529 57.524 58.000 0.089 0.000 1.451 235 F CB -0.710 38.360 39.000 0.117 0.000 1.091 235 F HN -0.165 nan 8.300 nan 0.000 0.563 236 F N 1.917 121.665 119.950 -0.337 0.000 2.410 236 F HA 0.643 5.170 4.527 -0.000 0.000 0.348 236 F C 1.314 177.065 175.800 -0.083 0.000 1.106 236 F CA -1.894 56.023 58.000 -0.138 0.000 1.163 236 F CB 1.055 39.861 39.000 -0.323 0.000 1.129 236 F HN 0.058 nan 8.300 nan 0.000 0.516 237 A N 6.470 129.383 122.820 0.154 0.000 1.884 237 A HA -0.304 4.016 4.320 -0.000 0.000 0.219 237 A C 1.965 179.342 177.584 -0.346 0.000 1.197 237 A CA 2.209 54.218 52.037 -0.048 0.000 0.637 237 A CB -1.732 17.308 19.000 0.066 0.000 0.827 237 A HN 0.900 nan 8.150 nan 0.000 0.450 238 Y N 0.721 120.395 120.300 -1.044 0.000 2.040 238 Y HA -0.217 4.333 4.550 -0.000 0.000 0.275 238 Y C 2.582 178.040 175.900 -0.737 0.000 1.171 238 Y CA 1.755 59.158 58.100 -1.163 0.000 1.123 238 Y CB -1.124 36.249 38.460 -1.812 0.000 0.963 238 Y HN 0.209 nan 8.280 nan 0.000 0.493 239 G N 0.101 108.404 108.800 -0.829 0.000 2.442 239 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.219 239 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.219 239 G C 1.697 176.246 174.900 -0.586 0.000 1.141 239 G CA 1.007 45.683 45.100 -0.707 0.000 0.763 239 G HN 0.486 nan 8.290 nan 0.000 0.554 240 L N 1.534 122.472 121.223 -0.474 0.000 2.013 240 L HA 0.057 4.397 4.340 -0.000 0.000 0.212 240 L C 2.761 179.277 176.870 -0.590 0.000 1.073 240 L CA 2.540 57.088 54.840 -0.486 0.000 0.753 240 L CB -0.939 40.860 42.059 -0.433 0.000 0.890 240 L HN 0.161 nan 8.230 nan 0.000 0.432 241 G N -1.114 107.273 108.800 -0.688 0.000 2.404 241 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.215 241 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.215 241 G C 1.404 175.355 174.900 -1.580 0.000 1.174 241 G CA 0.729 45.031 45.100 -1.330 0.000 0.780 241 G HN 0.455 nan 8.290 nan 0.000 0.537 242 N N 1.107 119.075 118.700 -1.220 0.000 2.069 242 N HA -0.065 4.675 4.740 -0.000 0.000 0.191 242 N C 2.104 177.160 175.510 -0.758 0.000 1.031 242 N CA 1.538 53.783 53.050 -1.342 0.000 0.852 242 N CB -0.523 36.772 38.487 -1.987 0.000 1.018 242 N HN 0.343 nan 8.380 nan 0.000 0.423 243 G N -1.206 107.268 108.800 -0.544 0.000 3.159 243 G HA2 0.311 4.271 3.960 -0.000 0.000 0.232 243 G HA3 0.311 4.271 3.960 -0.000 0.000 0.232 243 G C 1.118 175.990 174.900 -0.047 0.000 1.116 243 G CA -0.159 44.821 45.100 -0.200 0.000 0.767 243 G HN 0.237 nan 8.290 nan 0.000 0.547 244 L N -1.552 119.573 121.223 -0.165 0.000 2.932 244 L HA 0.202 4.542 4.340 -0.000 0.000 0.168 244 L C 2.568 179.444 176.870 0.010 0.000 1.125 244 L CA 0.713 55.541 54.840 -0.020 0.000 0.868 244 L CB -0.285 41.697 42.059 -0.129 0.000 1.496 244 L HN 0.035 nan 8.230 nan 0.000 0.519 245 T N 1.074 115.557 114.554 -0.118 0.000 2.665 245 T HA -0.155 4.195 4.350 -0.000 0.000 0.268 245 T C 1.601 176.495 174.700 0.322 0.000 1.035 245 T CA 2.191 64.360 62.100 0.116 0.000 1.151 245 T CB -0.343 68.474 68.868 -0.085 0.000 0.862 245 T HN 0.165 nan 8.240 nan 0.000 0.438 246 F N 1.473 121.446 119.950 0.038 0.000 2.094 246 F HA 0.116 4.643 4.527 -0.000 0.000 0.291 246 F C -0.295 175.549 175.800 0.072 0.000 1.109 246 F CA -0.152 57.877 58.000 0.049 0.000 1.221 246 F CB -2.425 36.591 39.000 0.026 0.000 1.014 246 F HN 0.156 nan 8.300 nan 0.000 0.473 247 P HA -0.139 nan 4.420 nan 0.000 0.216 247 P C 2.068 179.468 177.300 0.166 0.000 1.153 247 P CA 1.580 64.775 63.100 0.158 0.000 0.848 247 P CB -0.133 31.604 31.700 0.062 0.000 0.787 248 L N -0.512 120.816 121.223 0.176 0.000 2.083 248 L HA -0.105 4.235 4.340 -0.000 0.000 0.209 248 L C 2.655 179.619 176.870 0.156 0.000 1.083 248 L CA 1.348 56.333 54.840 0.241 0.000 0.752 248 L CB -1.196 41.002 42.059 0.232 0.000 0.899 248 L HN -0.016 nan 8.230 nan 0.000 0.433 249 S N -0.231 115.575 115.700 0.176 0.000 2.400 249 S HA -0.126 4.344 4.470 -0.000 0.000 0.232 249 S C 1.653 176.278 174.600 0.042 0.000 1.025 249 S CA 1.597 59.878 58.200 0.134 0.000 0.993 249 S CB -0.060 63.296 63.200 0.261 0.000 0.808 249 S HN 0.474 nan 8.310 nan 0.000 0.478 250 V N -3.002 116.941 119.914 0.048 0.000 3.477 250 V HA 0.651 4.771 4.120 -0.000 0.000 0.297 250 V C 1.017 177.083 176.094 -0.045 0.000 1.433 250 V CA 0.401 62.700 62.300 -0.003 0.000 1.052 250 V CB -0.294 31.536 31.823 0.012 0.000 0.895 250 V HN 0.426 nan 8.190 nan 0.000 0.438 251 G N 0.386 109.154 108.800 -0.053 0.000 2.136 251 G HA2 -0.044 3.915 3.960 -0.000 0.000 0.242 251 G HA3 -0.044 3.915 3.960 -0.000 0.000 0.242 251 G C 0.431 175.366 174.900 0.058 0.000 0.989 251 G CA 0.350 45.340 45.100 -0.183 0.000 0.682 251 G HN 1.584 nan 8.290 nan 0.000 0.522 252 A N -0.716 122.182 122.820 0.129 0.000 2.292 252 A HA 0.805 5.125 4.320 -0.000 0.000 0.265 252 A C 0.726 178.376 177.584 0.110 0.000 1.133 252 A CA 0.995 53.100 52.037 0.113 0.000 0.807 252 A CB 0.492 19.543 19.000 0.085 0.000 1.102 252 A HN 0.812 nan 8.150 nan 0.000 0.502 253 T N 0.344 114.916 114.554 0.030 0.000 2.823 253 T HA 0.631 4.980 4.350 -0.000 0.000 0.279 253 T C -0.271 174.376 174.700 -0.088 0.000 0.998 253 T CA 0.320 62.377 62.100 -0.072 0.000 0.994 253 T CB 1.455 70.302 68.868 -0.034 0.000 0.960 253 T HN 1.104 nan 8.240 nan 0.000 0.448 254 A N 3.191 125.874 122.820 -0.229 0.000 2.342 254 A HA 0.812 5.132 4.320 -0.000 0.000 0.323 254 A C -0.524 177.069 177.584 0.014 0.000 1.125 254 A CA -0.754 51.229 52.037 -0.090 0.000 0.785 254 A CB 0.526 19.436 19.000 -0.152 0.000 1.221 254 A HN 0.856 nan 8.150 nan 0.000 0.463 255 I N 2.578 123.223 120.570 0.125 0.000 2.331 255 I HA 0.340 4.509 4.170 -0.000 0.000 0.292 255 I C -0.542 175.735 176.117 0.266 0.000 0.998 255 I CA -0.116 61.234 61.300 0.084 0.000 1.267 255 I CB 1.157 39.125 38.000 -0.054 0.000 1.386 255 I HN 0.477 nan 8.210 nan 0.000 0.476 256 L N 6.781 128.113 121.223 0.180 0.000 2.342 256 L HA 0.664 5.004 4.340 -0.000 0.000 0.271 256 L C -0.482 176.481 176.870 0.154 0.000 1.008 256 L CA -0.619 54.338 54.840 0.195 0.000 0.818 256 L CB 2.018 44.136 42.059 0.097 0.000 1.296 256 L HN 0.612 nan 8.230 nan 0.000 0.427 257 M N 1.546 121.276 119.600 0.216 0.000 2.263 257 M HA 0.483 4.962 4.480 -0.000 0.000 0.295 257 M C -0.042 176.332 176.300 0.124 0.000 1.028 257 M CA -0.376 55.028 55.300 0.174 0.000 0.921 257 M CB 2.142 34.926 32.600 0.307 0.000 1.601 257 M HN 0.740 nan 8.290 nan 0.000 0.440 258 A N 3.678 126.546 122.820 0.080 0.000 1.930 258 A HA 0.026 4.346 4.320 -0.000 0.000 0.215 258 A C 0.703 178.331 177.584 0.073 0.000 1.176 258 A CA 1.066 53.140 52.037 0.062 0.000 0.632 258 A CB -0.437 18.584 19.000 0.035 0.000 0.819 258 A HN 0.873 nan 8.150 nan 0.000 0.445 259 E N 0.347 120.592 120.200 0.075 0.000 2.391 259 E HA 0.233 4.583 4.350 -0.000 0.000 0.255 259 E C -0.574 176.074 176.600 0.080 0.000 1.187 259 E CA -0.814 55.628 56.400 0.069 0.000 0.941 259 E CB 0.352 30.087 29.700 0.059 0.000 1.010 259 E HN 0.313 nan 8.360 nan 0.000 0.458 260 R N 1.103 121.642 120.500 0.066 0.000 2.623 260 R HA 0.072 4.412 4.340 -0.000 0.000 0.271 260 R C -1.741 174.594 176.300 0.058 0.000 1.043 260 R CA -1.147 54.990 56.100 0.061 0.000 1.083 260 R CB 0.010 30.338 30.300 0.047 0.000 0.974 260 R HN 0.503 nan 8.270 nan 0.000 0.436 261 P HA -0.001 nan 4.420 nan 0.000 0.230 261 P C -0.294 177.010 177.300 0.005 0.000 1.791 261 P CA -0.165 62.965 63.100 0.048 0.000 1.020 261 P CB -0.166 31.555 31.700 0.034 0.000 1.977 262 T N -2.081 112.467 114.554 -0.010 0.000 2.813 262 T HA 0.376 4.726 4.350 -0.000 0.000 0.297 262 T C 1.640 176.244 174.700 -0.161 0.000 1.036 262 T CA -0.073 61.992 62.100 -0.058 0.000 1.044 262 T CB 0.965 69.810 68.868 -0.039 0.000 0.993 262 T HN 0.104 nan 8.240 nan 0.000 0.535 263 A N 1.084 123.751 122.820 -0.254 0.000 1.917 263 A HA -0.140 4.179 4.320 -0.000 0.000 0.219 263 A C 2.102 179.121 177.584 -0.941 0.000 1.182 263 A CA 1.879 53.539 52.037 -0.628 0.000 0.633 263 A CB -1.025 17.668 19.000 -0.512 0.000 0.819 263 A HN 0.944 nan 8.150 nan 0.000 0.448 264 D N -0.209 119.946 120.400 -0.407 0.000 2.144 264 D HA -0.022 4.618 4.640 -0.000 0.000 0.200 264 D C 2.234 178.508 176.300 -0.043 0.000 0.978 264 D CA 1.369 55.292 54.000 -0.128 0.000 0.833 264 D CB -0.295 40.521 40.800 0.026 0.000 0.961 264 D HN 0.457 nan 8.370 nan 0.000 0.470 265 A N 0.887 123.678 122.820 -0.048 0.000 1.898 265 A HA -0.100 4.219 4.320 -0.000 0.000 0.216 265 A C 2.344 179.976 177.584 0.080 0.000 1.181 265 A CA 0.674 52.731 52.037 0.033 0.000 0.620 265 A CB -0.577 18.456 19.000 0.055 0.000 0.819 265 A HN 0.132 nan 8.150 nan 0.000 0.442 266 I N -1.276 119.318 120.570 0.040 0.000 2.142 266 I HA -0.241 3.929 4.170 -0.000 0.000 0.240 266 I C 2.223 178.444 176.117 0.174 0.000 1.078 266 I CA 1.272 62.679 61.300 0.179 0.000 1.343 266 I CB -0.482 37.518 38.000 -0.001 0.000 1.046 266 I HN 0.272 nan 8.210 nan 0.000 0.405 267 F N 1.275 121.251 119.950 0.043 0.000 2.115 267 F HA -0.305 4.222 4.527 -0.001 0.000 0.300 267 F C 2.668 178.461 175.800 -0.012 0.000 1.092 267 F CA 1.129 59.134 58.000 0.007 0.000 1.245 267 F CB -1.683 37.336 39.000 0.031 0.000 0.995 267 F HN 0.069 nan 8.300 nan 0.000 0.481 268 A N 0.537 123.468 122.820 0.185 0.000 1.892 268 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 268 A C 2.412 179.976 177.584 -0.033 0.000 1.188 268 A CA 1.809 53.882 52.037 0.060 0.000 0.631 268 A CB -0.490 18.532 19.000 0.037 0.000 0.822 268 A HN 0.262 nan 8.150 nan 0.000 0.447 269 R N -0.275 120.174 120.500 -0.085 0.000 2.119 269 R HA 0.101 4.441 4.340 -0.000 0.000 0.222 269 R C 2.047 178.264 176.300 -0.140 0.000 1.088 269 R CA 0.871 56.831 56.100 -0.232 0.000 0.984 269 R CB -1.056 28.760 30.300 -0.807 0.000 0.884 269 R HN 0.552 nan 8.270 nan 0.000 0.447 270 L N 0.709 121.919 121.223 -0.021 0.000 2.042 270 L HA -0.169 4.170 4.340 -0.000 0.000 0.210 270 L C 2.394 179.262 176.870 -0.003 0.000 1.076 270 L CA 1.258 56.115 54.840 0.029 0.000 0.749 270 L CB -0.449 41.621 42.059 0.018 0.000 0.893 270 L HN -0.048 nan 8.230 nan 0.000 0.432 271 V N -0.777 119.128 119.914 -0.016 0.000 2.379 271 V HA -0.187 3.933 4.120 -0.000 0.000 0.243 271 V C 2.360 178.403 176.094 -0.085 0.000 1.035 271 V CA 1.447 63.726 62.300 -0.035 0.000 1.035 271 V CB -0.234 31.576 31.823 -0.022 0.000 0.673 271 V HN 0.424 nan 8.190 nan 0.000 0.457 272 E N -0.258 119.844 120.200 -0.164 0.000 2.031 272 E HA -0.238 4.111 4.350 -0.000 0.000 0.193 272 E C 1.882 178.258 176.600 -0.373 0.000 0.994 272 E CA 1.516 57.717 56.400 -0.331 0.000 0.800 272 E CB -0.013 29.373 29.700 -0.525 0.000 0.752 272 E HN 0.688 nan 8.360 nan 0.000 0.447 273 H N -0.446 118.594 119.070 -0.050 0.000 2.586 273 H HA 0.250 4.806 4.556 -0.000 0.000 0.273 273 H C 0.068 175.388 175.328 -0.014 0.000 0.997 273 H CA 0.123 56.148 56.048 -0.038 0.000 1.177 273 H CB 0.351 30.075 29.762 -0.063 0.000 1.471 273 H HN 0.123 nan 8.280 nan 0.000 0.538 274 R N 0.785 121.318 120.500 0.057 0.000 3.225 274 R HA -0.122 4.217 4.340 -0.000 0.000 0.245 274 R C -2.465 173.883 176.300 0.080 0.000 0.928 274 R CA -0.051 56.080 56.100 0.051 0.000 0.632 274 R CB -1.542 28.778 30.300 0.032 0.000 1.038 274 R HN 0.360 nan 8.270 nan 0.000 0.461 275 P HA -0.054 nan 4.420 nan 0.000 0.269 275 P C 0.953 178.321 177.300 0.114 0.000 1.209 275 P CA 0.386 63.569 63.100 0.138 0.000 0.776 275 P CB 0.824 32.664 31.700 0.234 0.000 0.876 276 T N -1.315 113.295 114.554 0.093 0.000 3.054 276 T HA 0.116 4.465 4.350 -0.000 0.000 0.259 276 T C 0.680 175.418 174.700 0.063 0.000 1.092 276 T CA 0.313 62.455 62.100 0.069 0.000 1.121 276 T CB -0.089 68.808 68.868 0.048 0.000 0.912 276 T HN 0.195 nan 8.240 nan 0.000 0.489 277 V N 1.853 121.800 119.914 0.057 0.000 2.531 277 V HA 0.660 4.779 4.120 -0.000 0.000 0.301 277 V C -1.310 174.778 176.094 -0.010 0.000 1.034 277 V CA -1.246 61.018 62.300 -0.060 0.000 0.865 277 V CB 1.600 33.300 31.823 -0.204 0.000 0.995 277 V HN 0.436 nan 8.190 nan 0.000 0.424 278 F N 5.671 125.518 119.950 -0.172 0.000 2.540 278 F HA 0.765 5.292 4.527 -0.000 0.000 0.317 278 F C -1.361 174.353 175.800 -0.143 0.000 1.104 278 F CA -1.138 56.814 58.000 -0.081 0.000 0.913 278 F CB 1.662 40.722 39.000 0.100 0.000 1.170 278 F HN 0.463 nan 8.300 nan 0.000 0.450 279 Y N 4.501 124.195 120.300 -1.010 0.000 2.328 279 Y HA 0.705 5.254 4.550 -0.000 0.000 0.336 279 Y C 0.452 175.634 175.900 -1.198 0.000 0.960 279 Y CA -0.854 56.780 58.100 -0.776 0.000 1.134 279 Y CB 1.672 39.766 38.460 -0.610 0.000 1.166 279 Y HN 0.822 nan 8.280 nan 0.000 0.464 280 G N 1.040 109.532 108.800 -0.514 0.000 3.222 280 G HA2 0.756 4.716 3.960 -0.000 0.000 0.263 280 G HA3 0.756 4.716 3.960 -0.000 0.000 0.263 280 G C -1.211 173.729 174.900 0.067 0.000 1.312 280 G CA -0.841 43.991 45.100 -0.447 0.000 0.934 280 G HN 0.762 nan 8.290 nan 0.000 0.577 281 V N -3.579 116.332 119.914 -0.006 0.000 3.114 281 V HA 0.633 4.753 4.120 -0.000 0.000 0.308 281 V C -2.380 173.815 176.094 0.168 0.000 1.168 281 V CA -1.879 60.490 62.300 0.114 0.000 1.015 281 V CB 1.845 33.721 31.823 0.087 0.000 1.050 281 V HN 0.438 nan 8.190 nan 0.000 0.433 282 P HA -0.148 nan 4.420 nan 0.000 0.216 282 P C 1.711 179.110 177.300 0.165 0.000 1.153 282 P CA 2.414 65.643 63.100 0.214 0.000 0.858 282 P CB 0.123 31.899 31.700 0.127 0.000 0.789 283 T N -1.464 113.147 114.554 0.095 0.000 2.833 283 T HA -0.096 4.254 4.350 -0.000 0.000 0.269 283 T C 1.605 176.340 174.700 0.059 0.000 1.054 283 T CA 0.971 63.113 62.100 0.070 0.000 1.135 283 T CB -0.764 68.128 68.868 0.040 0.000 0.869 283 T HN -0.064 nan 8.240 nan 0.000 0.466 284 L N -0.736 120.500 121.223 0.022 0.000 2.005 284 L HA -0.040 4.300 4.340 -0.000 0.000 0.207 284 L C 2.410 179.282 176.870 0.004 0.000 1.072 284 L CA 1.523 56.343 54.840 -0.034 0.000 0.744 284 L CB -0.727 41.269 42.059 -0.105 0.000 0.895 284 L HN 0.274 nan 8.230 nan 0.000 0.433 285 Y N 0.248 120.629 120.300 0.136 0.000 2.165 285 Y HA -0.286 4.263 4.550 -0.000 0.000 0.286 285 Y C 2.685 178.684 175.900 0.165 0.000 1.155 285 Y CA 1.218 59.410 58.100 0.155 0.000 1.164 285 Y CB -0.999 37.492 38.460 0.051 0.000 0.978 285 Y HN 0.148 nan 8.280 nan 0.000 0.513 286 A N 0.441 123.416 122.820 0.258 0.000 1.865 286 A HA -0.236 4.083 4.320 -0.000 0.000 0.217 286 A C 2.172 179.852 177.584 0.160 0.000 1.191 286 A CA 2.133 54.278 52.037 0.180 0.000 0.623 286 A CB -0.757 18.318 19.000 0.125 0.000 0.826 286 A HN 0.505 nan 8.150 nan 0.000 0.444 287 N N -0.843 117.934 118.700 0.128 0.000 2.300 287 N HA -0.040 4.700 4.740 -0.000 0.000 0.179 287 N C 1.827 177.414 175.510 0.129 0.000 1.016 287 N CA 1.334 54.443 53.050 0.098 0.000 0.876 287 N CB -0.312 38.204 38.487 0.049 0.000 0.979 287 N HN 0.531 nan 8.380 nan 0.000 0.432 288 M N 0.371 120.070 119.600 0.165 0.000 2.082 288 M HA -0.168 4.312 4.480 -0.000 0.000 0.258 288 M C 1.717 178.275 176.300 0.429 0.000 1.069 288 M CA 1.345 56.841 55.300 0.327 0.000 1.102 288 M CB -0.214 32.646 32.600 0.434 0.000 1.336 288 M HN 0.027 nan 8.290 nan 0.000 0.404 289 L N -0.073 121.349 121.223 0.332 0.000 2.191 289 L HA -0.098 4.242 4.340 -0.000 0.000 0.212 289 L C 2.273 179.215 176.870 0.120 0.000 1.103 289 L CA 1.434 56.403 54.840 0.216 0.000 0.769 289 L CB -0.938 41.245 42.059 0.206 0.000 0.908 289 L HN 0.324 nan 8.230 nan 0.000 0.438 290 V N -4.676 115.321 119.914 0.139 0.000 3.647 290 V HA 0.183 4.303 4.120 -0.000 0.000 0.279 290 V C 1.196 177.356 176.094 0.110 0.000 1.314 290 V CA -0.050 62.310 62.300 0.100 0.000 1.125 290 V CB -0.325 31.555 31.823 0.095 0.000 0.907 290 V HN 0.268 nan 8.190 nan 0.000 0.434 291 S N 2.520 118.325 115.700 0.175 0.000 2.549 291 S HA 0.296 4.766 4.470 -0.000 0.000 0.283 291 S C -0.570 174.108 174.600 0.131 0.000 1.320 291 S CA -0.565 57.759 58.200 0.207 0.000 1.058 291 S CB 1.081 64.540 63.200 0.432 0.000 0.882 291 S HN 0.485 nan 8.310 nan 0.000 0.498 292 P HA -0.008 nan 4.420 nan 0.000 0.226 292 P C 0.203 177.528 177.300 0.041 0.000 1.153 292 P CA 0.748 63.878 63.100 0.050 0.000 0.777 292 P CB 0.001 31.727 31.700 0.045 0.000 0.794 293 N N -0.246 118.519 118.700 0.108 0.000 2.322 293 N HA 0.046 4.785 4.740 -0.000 0.000 0.194 293 N C 0.517 175.881 175.510 -0.243 0.000 1.126 293 N CA -0.259 52.829 53.050 0.063 0.000 0.845 293 N CB -0.307 38.318 38.487 0.229 0.000 0.976 293 N HN 0.162 nan 8.380 nan 0.000 0.475 294 L N 2.890 123.943 121.223 -0.284 0.000 2.628 294 L HA 0.108 4.448 4.340 -0.000 0.000 0.274 294 L C -2.203 174.384 176.870 -0.472 0.000 1.209 294 L CA -0.941 53.527 54.840 -0.620 0.000 0.930 294 L CB -0.080 41.798 42.059 -0.300 0.000 1.183 294 L HN -0.054 nan 8.230 nan 0.000 0.492 295 P HA 0.201 nan 4.420 nan 0.000 0.269 295 P C -0.851 176.513 177.300 0.107 0.000 1.209 295 P CA -0.244 62.766 63.100 -0.150 0.000 0.776 295 P CB 0.564 32.198 31.700 -0.110 0.000 0.876 296 A N 2.618 125.464 122.820 0.045 0.000 2.406 296 A HA 0.065 4.385 4.320 -0.000 0.000 0.243 296 A C 1.853 179.427 177.584 -0.016 0.000 1.082 296 A CA -0.125 51.900 52.037 -0.020 0.000 0.786 296 A CB -0.187 18.782 19.000 -0.052 0.000 1.029 296 A HN 0.682 nan 8.150 nan 0.000 0.495 297 R N 0.892 121.241 120.500 -0.251 0.000 2.134 297 R HA -0.252 4.088 4.340 -0.000 0.000 0.248 297 R C 1.899 178.205 176.300 0.009 0.000 1.143 297 R CA 2.221 58.264 56.100 -0.095 0.000 0.957 297 R CB -0.490 29.676 30.300 -0.223 0.000 0.867 297 R HN 0.824 nan 8.270 nan 0.000 0.441 298 A N 0.379 123.180 122.820 -0.031 0.000 2.119 298 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 298 A C 1.214 178.798 177.584 0.000 0.000 1.153 298 A CA 1.364 53.393 52.037 -0.014 0.000 0.692 298 A CB -0.099 18.884 19.000 -0.027 0.000 0.799 298 A HN 0.398 nan 8.150 nan 0.000 0.458 299 D N -0.545 119.861 120.400 0.010 0.000 2.347 299 D HA 0.073 4.713 4.640 -0.000 0.000 0.215 299 D C 0.880 177.184 176.300 0.008 0.000 0.976 299 D CA 1.219 55.222 54.000 0.006 0.000 0.884 299 D CB 0.188 40.990 40.800 0.003 0.000 0.915 299 D HN 0.440 nan 8.370 nan 0.000 0.526 300 V N -3.836 116.090 119.914 0.021 0.000 3.141 300 V HA 0.858 4.978 4.120 -0.000 0.000 0.312 300 V C -0.234 175.866 176.094 0.010 0.000 1.157 300 V CA -0.881 61.417 62.300 -0.003 0.000 1.041 300 V CB 1.972 33.748 31.823 -0.078 0.000 1.071 300 V HN -0.206 nan 8.190 nan 0.000 0.441 301 A N 1.633 124.460 122.820 0.012 0.000 2.624 301 A HA 0.539 4.859 4.320 -0.000 0.000 0.287 301 A C 0.524 178.132 177.584 0.041 0.000 1.087 301 A CA -0.080 51.974 52.037 0.029 0.000 0.964 301 A CB -0.532 18.488 19.000 0.033 0.000 1.231 301 A HN 1.249 nan 8.150 nan 0.000 0.551 302 I N -1.050 119.541 120.570 0.034 0.000 2.668 302 I HA 0.221 4.391 4.170 -0.000 0.000 0.285 302 I C 1.127 177.297 176.117 0.089 0.000 1.168 302 I CA -0.136 61.209 61.300 0.074 0.000 1.424 302 I CB 0.619 38.676 38.000 0.094 0.000 1.377 302 I HN 0.436 nan 8.210 nan 0.000 0.560 303 R N 4.725 125.275 120.500 0.083 0.000 2.279 303 R HA 0.470 4.810 4.340 -0.000 0.000 0.195 303 R C -0.139 176.211 176.300 0.084 0.000 0.905 303 R CA -0.137 56.008 56.100 0.075 0.000 1.044 303 R CB 0.497 30.825 30.300 0.047 0.000 1.056 303 R HN 0.625 nan 8.270 nan 0.000 0.535 304 I N 0.396 121.017 120.570 0.085 0.000 2.775 304 I HA 0.361 4.531 4.170 -0.000 0.000 0.295 304 I C -1.732 174.439 176.117 0.091 0.000 1.287 304 I CA -0.927 60.420 61.300 0.079 0.000 1.029 304 I CB 2.248 40.259 38.000 0.018 0.000 1.282 304 I HN 0.218 nan 8.210 nan 0.000 0.426 305 C N 3.355 122.731 119.300 0.127 0.000 2.779 305 C HA 0.965 5.424 4.460 -0.000 0.000 0.314 305 C C -0.040 175.010 174.990 0.101 0.000 1.231 305 C CA -0.397 58.703 59.018 0.136 0.000 1.652 305 C CB 1.860 29.761 27.740 0.268 0.000 2.198 305 C HN 0.868 nan 8.230 nan 0.000 0.483 306 T N -1.023 113.609 114.554 0.130 0.000 2.916 306 T HA 0.804 5.153 4.350 -0.000 0.000 0.292 306 T C -0.774 174.101 174.700 0.292 0.000 1.064 306 T CA -0.498 61.741 62.100 0.232 0.000 1.011 306 T CB 1.779 70.895 68.868 0.413 0.000 1.152 306 T HN 0.767 nan 8.240 nan 0.000 0.510 307 S N -0.316 115.522 115.700 0.229 0.000 2.546 307 S HA 0.795 5.265 4.470 -0.000 0.000 0.272 307 S C -0.926 173.649 174.600 -0.042 0.000 1.140 307 S CA -0.105 58.216 58.200 0.202 0.000 0.920 307 S CB 0.914 64.215 63.200 0.169 0.000 1.083 307 S HN 1.421 nan 8.310 nan 0.000 0.476 308 A N 2.382 125.033 122.820 -0.282 0.000 2.535 308 A HA 0.958 5.278 4.320 -0.000 0.000 0.296 308 A C 0.837 178.206 177.584 -0.357 0.000 1.248 308 A CA 0.055 51.790 52.037 -0.502 0.000 0.686 308 A CB 0.212 18.606 19.000 -1.011 0.000 1.315 308 A HN 2.150 nan 8.150 nan 0.000 0.460 309 G N -1.202 107.416 108.800 -0.303 0.000 2.729 309 G HA2 -0.120 3.839 3.960 -0.000 0.000 0.216 309 G HA3 -0.120 3.839 3.960 -0.000 0.000 0.216 309 G C 0.065 174.905 174.900 -0.099 0.000 1.252 309 G CA 0.615 45.649 45.100 -0.109 0.000 0.751 309 G HN 0.940 nan 8.290 nan 0.000 0.527 310 E N 0.215 120.364 120.200 -0.085 0.000 2.392 310 E HA 0.683 5.033 4.350 -0.000 0.000 0.269 310 E C 0.081 176.653 176.600 -0.047 0.000 0.924 310 E CA -0.101 56.280 56.400 -0.031 0.000 0.784 310 E CB 1.814 31.538 29.700 0.039 0.000 1.292 310 E HN 0.965 nan 8.360 nan 0.000 0.447 311 A N 1.127 123.965 122.820 0.029 0.000 2.388 311 A HA 0.336 4.655 4.320 -0.000 0.000 0.257 311 A C -0.326 177.300 177.584 0.070 0.000 1.095 311 A CA -0.325 51.742 52.037 0.051 0.000 0.791 311 A CB 0.119 19.224 19.000 0.176 0.000 1.029 311 A HN 0.394 nan 8.150 nan 0.000 0.489 312 L N 4.238 125.503 121.223 0.069 0.000 2.278 312 L HA 0.428 4.768 4.340 -0.000 0.000 0.287 312 L C -2.244 174.669 176.870 0.071 0.000 1.072 312 L CA -1.600 53.281 54.840 0.068 0.000 0.819 312 L CB 0.663 42.757 42.059 0.059 0.000 1.176 312 L HN 0.378 nan 8.230 nan 0.000 0.435 313 P HA 0.088 nan 4.420 nan 0.000 0.264 313 P C 0.253 177.554 177.300 0.002 0.000 1.193 313 P CA -0.024 63.104 63.100 0.046 0.000 0.763 313 P CB 0.567 32.295 31.700 0.047 0.000 0.810 314 R N 2.771 123.292 120.500 0.035 0.000 2.140 314 R HA -0.277 4.062 4.340 -0.000 0.000 0.250 314 R C 1.233 177.466 176.300 -0.112 0.000 1.150 314 R CA 2.022 58.130 56.100 0.012 0.000 0.966 314 R CB -0.139 30.210 30.300 0.081 0.000 0.869 314 R HN 0.450 nan 8.270 nan 0.000 0.445 315 E N 0.129 120.300 120.200 -0.048 0.000 2.150 315 E HA -0.110 4.239 4.350 -0.000 0.000 0.193 315 E C 1.866 178.417 176.600 -0.081 0.000 0.985 315 E CA 1.218 57.592 56.400 -0.045 0.000 0.814 315 E CB -0.068 29.635 29.700 0.005 0.000 0.752 315 E HN 0.443 nan 8.360 nan 0.000 0.466 316 I N 0.252 120.770 120.570 -0.085 0.000 2.252 316 I HA -0.181 3.989 4.170 -0.000 0.000 0.245 316 I C 2.322 178.324 176.117 -0.191 0.000 1.102 316 I CA 1.260 62.525 61.300 -0.058 0.000 1.385 316 I CB -0.564 37.437 38.000 0.001 0.000 1.064 316 I HN 0.202 nan 8.210 nan 0.000 0.414 317 G N 0.445 108.932 108.800 -0.522 0.000 2.414 317 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.215 317 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.215 317 G C 1.493 175.911 174.900 -0.803 0.000 1.188 317 G CA 0.536 44.956 45.100 -1.134 0.000 0.783 317 G HN 0.386 nan 8.290 nan 0.000 0.537 318 E N 0.222 120.053 120.200 -0.615 0.000 2.058 318 E HA -0.135 4.214 4.350 -0.000 0.000 0.194 318 E C 2.782 179.377 176.600 -0.009 0.000 0.997 318 E CA 0.896 57.209 56.400 -0.144 0.000 0.801 318 E CB -0.129 29.542 29.700 -0.047 0.000 0.746 318 E HN 0.330 nan 8.360 nan 0.000 0.450 319 R N -0.229 120.268 120.500 -0.005 0.000 2.090 319 R HA -0.087 4.253 4.340 -0.000 0.000 0.228 319 R C 2.273 178.641 176.300 0.113 0.000 1.110 319 R CA 0.932 57.061 56.100 0.048 0.000 0.973 319 R CB -0.377 29.947 30.300 0.040 0.000 0.869 319 R HN 0.173 nan 8.270 nan 0.000 0.440 320 F N 1.707 121.671 119.950 0.023 0.000 2.102 320 F HA -0.218 4.309 4.527 -0.000 0.000 0.298 320 F C 2.201 178.135 175.800 0.223 0.000 1.105 320 F CA 1.772 59.872 58.000 0.167 0.000 1.239 320 F CB -0.192 38.895 39.000 0.143 0.000 0.991 320 F HN -0.108 nan 8.300 nan 0.000 0.474 321 T N 0.300 115.070 114.554 0.360 0.000 2.821 321 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 321 T C 2.181 176.961 174.700 0.134 0.000 1.046 321 T CA 1.145 63.417 62.100 0.288 0.000 1.139 321 T CB -0.741 68.331 68.868 0.340 0.000 0.871 321 T HN 0.364 nan 8.240 nan 0.000 0.454 322 A N 0.884 123.759 122.820 0.092 0.000 1.940 322 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 322 A C 2.048 179.609 177.584 -0.040 0.000 1.176 322 A CA 2.236 54.292 52.037 0.031 0.000 0.631 322 A CB -0.767 18.251 19.000 0.031 0.000 0.814 322 A HN 0.654 nan 8.150 nan 0.000 0.446 323 H N -2.983 115.952 119.070 -0.225 0.000 2.431 323 H HA 0.159 4.715 4.556 -0.000 0.000 0.295 323 H C 1.115 176.115 175.328 -0.546 0.000 1.038 323 H CA 1.428 57.198 56.048 -0.462 0.000 1.360 323 H CB 0.042 29.360 29.762 -0.740 0.000 1.433 323 H HN 0.415 nan 8.280 nan 0.000 0.536 324 F N -1.313 118.502 119.950 -0.224 0.000 2.717 324 F HA 0.311 4.837 4.527 -0.000 0.000 0.297 324 F C 2.026 177.752 175.800 -0.123 0.000 1.113 324 F CA 0.670 58.513 58.000 -0.262 0.000 1.319 324 F CB 0.638 39.367 39.000 -0.451 0.000 1.097 324 F HN 0.350 nan 8.300 nan 0.000 0.595 325 G N 0.207 109.070 108.800 0.105 0.000 2.176 325 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.253 325 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.253 325 G C 0.234 175.224 174.900 0.149 0.000 0.979 325 G CA 0.065 45.225 45.100 0.099 0.000 0.641 325 G HN 0.576 nan 8.290 nan 0.000 0.530 326 C N -0.709 118.729 119.300 0.230 0.000 2.707 326 C HA 0.880 5.339 4.460 -0.000 0.000 0.313 326 C C 0.187 175.383 174.990 0.344 0.000 1.209 326 C CA -1.584 57.584 59.018 0.249 0.000 1.635 326 C CB 1.685 29.569 27.740 0.239 0.000 2.206 326 C HN 0.456 nan 8.230 nan 0.000 0.485 327 E N 0.762 121.116 120.200 0.256 0.000 2.349 327 E HA 0.497 4.847 4.350 -0.000 0.000 0.265 327 E C -0.712 176.035 176.600 0.244 0.000 1.064 327 E CA -0.149 56.409 56.400 0.263 0.000 0.886 327 E CB 1.018 30.784 29.700 0.109 0.000 1.036 327 E HN 0.597 nan 8.360 nan 0.000 0.413 328 I N 2.806 123.533 120.570 0.261 0.000 2.354 328 I HA 0.165 4.335 4.170 -0.000 0.000 0.292 328 I C -0.416 175.767 176.117 0.109 0.000 0.989 328 I CA -0.492 60.862 61.300 0.089 0.000 1.188 328 I CB 0.798 38.682 38.000 -0.192 0.000 1.342 328 I HN 0.244 nan 8.210 nan 0.000 0.457 329 L N 5.487 126.758 121.223 0.080 0.000 2.268 329 L HA 0.279 4.618 4.340 -0.000 0.000 0.289 329 L C -0.185 176.738 176.870 0.088 0.000 1.064 329 L CA -0.438 54.444 54.840 0.069 0.000 0.824 329 L CB 0.517 42.634 42.059 0.097 0.000 1.202 329 L HN 0.542 nan 8.230 nan 0.000 0.433 330 D N 2.826 123.266 120.400 0.065 0.000 2.348 330 D HA 0.472 5.111 4.640 -0.000 0.000 0.253 330 D C 0.015 176.313 176.300 -0.002 0.000 1.161 330 D CA 0.238 54.263 54.000 0.042 0.000 0.876 330 D CB 1.572 42.416 40.800 0.073 0.000 1.160 330 D HN 0.611 nan 8.370 nan 0.000 0.459 331 G N 2.575 111.324 108.800 -0.085 0.000 2.660 331 G HA2 0.544 4.504 3.960 -0.000 0.000 0.294 331 G HA3 0.544 4.504 3.960 -0.000 0.000 0.294 331 G C -1.338 173.347 174.900 -0.360 0.000 1.369 331 G CA -0.716 44.264 45.100 -0.199 0.000 0.912 331 G HN 0.558 nan 8.290 nan 0.000 0.479 332 I N 0.955 121.213 120.570 -0.520 0.000 2.474 332 I HA 0.820 4.990 4.170 -0.000 0.000 0.294 332 I C 0.412 175.923 176.117 -1.010 0.000 1.005 332 I CA -0.474 60.435 61.300 -0.652 0.000 1.113 332 I CB 1.798 39.484 38.000 -0.524 0.000 1.289 332 I HN 0.708 nan 8.210 nan 0.000 0.436 333 G N 3.940 112.306 108.800 -0.725 0.000 3.105 333 G HA2 0.770 4.730 3.960 -0.000 0.000 0.277 333 G HA3 0.770 4.730 3.960 -0.000 0.000 0.277 333 G C -1.522 173.301 174.900 -0.129 0.000 1.375 333 G CA -0.269 44.500 45.100 -0.552 0.000 0.962 333 G HN 0.795 nan 8.290 nan 0.000 0.541 334 S N -2.663 113.093 115.700 0.092 0.000 2.588 334 S HA 0.481 4.951 4.470 -0.000 0.000 0.269 334 S C 0.736 175.460 174.600 0.207 0.000 1.157 334 S CA 0.338 58.643 58.200 0.176 0.000 0.824 334 S CB 1.248 64.600 63.200 0.255 0.000 1.126 334 S HN 0.514 nan 8.310 nan 0.000 0.464 335 T N 1.635 116.346 114.554 0.261 0.000 2.720 335 T HA -0.099 4.251 4.350 -0.000 0.000 0.268 335 T C 1.305 176.262 174.700 0.428 0.000 1.037 335 T CA 2.303 64.607 62.100 0.341 0.000 1.144 335 T CB -0.569 68.519 68.868 0.367 0.000 0.864 335 T HN 0.756 nan 8.240 nan 0.000 0.444 336 E N 0.568 120.974 120.200 0.344 0.000 2.150 336 E HA 0.034 4.384 4.350 -0.000 0.000 0.193 336 E C 1.767 178.583 176.600 0.359 0.000 0.985 336 E CA 0.822 57.416 56.400 0.324 0.000 0.814 336 E CB -0.102 29.698 29.700 0.165 0.000 0.752 336 E HN 0.330 nan 8.360 nan 0.000 0.466 337 M N -0.606 119.184 119.600 0.316 0.000 2.371 337 M HA 0.240 4.720 4.480 -0.000 0.000 0.246 337 M C 0.697 177.196 176.300 0.331 0.000 1.103 337 M CA -0.043 55.445 55.300 0.312 0.000 1.010 337 M CB 0.244 32.994 32.600 0.250 0.000 1.457 337 M HN 0.146 nan 8.290 nan 0.000 0.486 338 L N -1.066 120.319 121.223 0.270 0.000 5.308 338 L HA -0.344 3.995 4.340 -0.000 0.000 0.421 338 L C -0.078 176.895 176.870 0.170 0.000 0.927 338 L CA 2.399 57.287 54.840 0.079 0.000 1.529 338 L CB -1.087 40.906 42.059 -0.111 0.000 1.599 338 L HN 0.592 nan 8.230 nan 0.000 0.629 339 H N -2.614 116.510 119.070 0.091 0.000 3.012 339 H HA 0.600 5.155 4.556 -0.000 0.000 0.258 339 H C -0.658 174.591 175.328 -0.133 0.000 1.530 339 H CA -0.241 55.804 56.048 -0.005 0.000 1.187 339 H CB 0.374 30.201 29.762 0.110 0.000 1.907 339 H HN -0.021 nan 8.280 nan 0.000 0.695 340 I N 3.231 123.688 120.570 -0.189 0.000 2.496 340 I HA 0.041 4.211 4.170 -0.000 0.000 0.285 340 I C 0.089 175.885 176.117 -0.536 0.000 1.080 340 I CA 0.411 61.355 61.300 -0.593 0.000 1.404 340 I CB 0.419 37.862 38.000 -0.929 0.000 1.403 340 I HN 0.488 nan 8.210 nan 0.000 0.539 341 F N 5.860 125.480 119.950 -0.549 0.000 2.817 341 F HA 0.489 5.016 4.527 -0.000 0.000 0.333 341 F C -0.523 175.026 175.800 -0.419 0.000 1.085 341 F CA -0.622 56.876 58.000 -0.838 0.000 1.170 341 F CB 0.183 38.594 39.000 -0.982 0.000 1.066 341 F HN 0.227 nan 8.300 nan 0.000 0.564 342 L N 1.091 122.026 121.223 -0.481 0.000 2.528 342 L HA 0.785 5.125 4.340 -0.000 0.000 0.267 342 L C -1.074 175.657 176.870 -0.231 0.000 0.961 342 L CA -0.786 53.893 54.840 -0.268 0.000 0.866 342 L CB 1.790 43.642 42.059 -0.344 0.000 1.248 342 L HN 0.093 nan 8.230 nan 0.000 0.404 343 S N 4.036 119.701 115.700 -0.059 0.000 2.537 343 S HA 0.589 5.059 4.470 -0.000 0.000 0.270 343 S C -1.105 173.528 174.600 0.054 0.000 1.142 343 S CA -0.849 57.357 58.200 0.009 0.000 0.870 343 S CB 1.222 64.502 63.200 0.133 0.000 1.112 343 S HN 0.771 nan 8.310 nan 0.000 0.466 344 N N 2.041 120.769 118.700 0.047 0.000 2.416 344 N HA 0.207 4.947 4.740 -0.000 0.000 0.246 344 N C -0.352 175.176 175.510 0.031 0.000 1.260 344 N CA 0.315 53.380 53.050 0.025 0.000 0.897 344 N CB 0.351 38.824 38.487 -0.023 0.000 1.110 344 N HN 0.504 nan 8.380 nan 0.000 0.439 345 R N 0.427 120.931 120.500 0.007 0.000 2.637 345 R HA 0.420 4.760 4.340 -0.000 0.000 0.291 345 R C -0.476 175.811 176.300 -0.022 0.000 0.963 345 R CA -0.793 55.308 56.100 0.002 0.000 0.901 345 R CB 1.520 31.827 30.300 0.012 0.000 1.160 345 R HN 0.576 nan 8.270 nan 0.000 0.457 346 A N 1.231 124.039 122.820 -0.020 0.000 2.548 346 A HA 0.351 4.671 4.320 -0.000 0.000 0.247 346 A C 1.265 178.840 177.584 -0.016 0.000 1.067 346 A CA 1.126 53.152 52.037 -0.019 0.000 0.757 346 A CB -0.526 18.466 19.000 -0.013 0.000 0.996 346 A HN 0.992 nan 8.150 nan 0.000 0.504 347 G N 1.061 109.850 108.800 -0.019 0.000 2.199 347 G HA2 0.088 4.047 3.960 -0.000 0.000 0.254 347 G HA3 0.088 4.047 3.960 -0.000 0.000 0.254 347 G C 0.640 175.529 174.900 -0.019 0.000 0.982 347 G CA 0.724 45.817 45.100 -0.012 0.000 0.632 347 G HN 2.287 nan 8.290 nan 0.000 0.529 348 A N -0.247 122.553 122.820 -0.033 0.000 2.594 348 A HA 0.697 5.017 4.320 -0.000 0.000 0.292 348 A C 0.580 178.127 177.584 -0.061 0.000 1.026 348 A CA 0.508 52.528 52.037 -0.030 0.000 0.983 348 A CB 0.640 19.636 19.000 -0.007 0.000 1.233 348 A HN 1.057 nan 8.150 nan 0.000 0.519 349 V N 1.824 121.663 119.914 -0.125 0.000 2.557 349 V HA 0.036 4.156 4.120 -0.000 0.000 0.301 349 V C 0.235 176.206 176.094 -0.205 0.000 1.026 349 V CA 0.665 62.813 62.300 -0.252 0.000 1.137 349 V CB 0.464 31.976 31.823 -0.519 0.000 0.917 349 V HN 0.460 nan 8.190 nan 0.000 0.484 350 E N 4.719 124.833 120.200 -0.143 0.000 2.546 350 E HA 0.237 4.587 4.350 -0.000 0.000 0.227 350 E C -0.944 175.663 176.600 0.012 0.000 1.009 350 E CA -0.540 55.839 56.400 -0.036 0.000 0.813 350 E CB 0.760 30.471 29.700 0.019 0.000 1.269 350 E HN 0.589 nan 8.360 nan 0.000 0.432 351 Y N 0.484 120.815 120.300 0.052 0.000 2.597 351 Y HA 0.144 4.694 4.550 -0.000 0.000 0.336 351 Y C 1.815 177.748 175.900 0.055 0.000 1.216 351 Y CA 1.767 59.896 58.100 0.049 0.000 1.463 351 Y CB 0.775 39.262 38.460 0.045 0.000 1.303 351 Y HN 0.708 nan 8.280 nan 0.000 0.576 352 G N 1.154 110.098 108.800 0.240 0.000 2.194 352 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.236 352 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.236 352 G C 0.169 175.155 174.900 0.143 0.000 0.987 352 G CA 0.132 45.327 45.100 0.159 0.000 0.635 352 G HN 1.043 nan 8.290 nan 0.000 0.520 353 T N -2.906 111.737 114.554 0.150 0.000 2.907 353 T HA 0.632 4.981 4.350 -0.000 0.000 0.290 353 T C 0.728 175.531 174.700 0.171 0.000 1.066 353 T CA 0.686 62.886 62.100 0.167 0.000 1.012 353 T CB 1.788 70.744 68.868 0.147 0.000 1.184 353 T HN 0.409 nan 8.240 nan 0.000 0.522 354 T N 0.613 115.310 114.554 0.238 0.000 3.235 354 T HA 0.537 4.887 4.350 -0.000 0.000 0.251 354 T C 1.328 176.110 174.700 0.137 0.000 1.060 354 T CA 0.026 62.234 62.100 0.180 0.000 0.949 354 T CB -0.850 68.169 68.868 0.251 0.000 1.020 354 T HN 1.502 nan 8.240 nan 0.000 0.564 355 G N 2.158 111.050 108.800 0.154 0.000 2.528 355 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.262 355 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.262 355 G C -0.413 174.603 174.900 0.192 0.000 1.200 355 G CA -0.555 44.620 45.100 0.125 0.000 0.951 355 G HN 0.571 nan 8.290 nan 0.000 0.566 356 R N 0.597 121.185 120.500 0.146 0.000 2.892 356 R HA 0.575 4.915 4.340 -0.000 0.000 0.265 356 R C -2.587 173.768 176.300 0.092 0.000 1.025 356 R CA -1.800 54.411 56.100 0.185 0.000 0.982 356 R CB 1.756 32.150 30.300 0.156 0.000 1.185 356 R HN 0.366 nan 8.270 nan 0.000 0.484 357 P HA -0.051 nan 4.420 nan 0.000 0.264 357 P C -0.549 176.825 177.300 0.122 0.000 1.183 357 P CA 0.029 63.168 63.100 0.066 0.000 0.763 357 P CB 0.376 32.130 31.700 0.090 0.000 0.807 358 V N 6.759 126.763 119.914 0.150 0.000 2.521 358 V HA 0.072 4.191 4.120 -0.000 0.000 0.286 358 V C -1.808 174.457 176.094 0.286 0.000 1.034 358 V CA -1.183 61.251 62.300 0.224 0.000 1.045 358 V CB 0.075 32.049 31.823 0.252 0.000 0.974 358 V HN 0.554 nan 8.190 nan 0.000 0.480 359 P HA 0.240 nan 4.420 nan 0.000 0.264 359 P C 0.912 178.277 177.300 0.109 0.000 1.193 359 P CA 1.290 64.469 63.100 0.131 0.000 0.763 359 P CB 0.606 32.359 31.700 0.088 0.000 0.810 360 G N 1.303 110.106 108.800 0.004 0.000 2.238 360 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.217 360 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.217 360 G C -0.473 174.199 174.900 -0.380 0.000 0.996 360 G CA -0.473 44.513 45.100 -0.191 0.000 0.632 360 G HN 0.457 nan 8.290 nan 0.000 0.503 361 Y N 1.169 121.447 120.300 -0.037 0.000 2.429 361 Y HA 0.671 5.220 4.550 -0.000 0.000 0.342 361 Y C 0.351 176.223 175.900 -0.047 0.000 1.004 361 Y CA -0.847 57.218 58.100 -0.058 0.000 1.075 361 Y CB 1.592 40.068 38.460 0.027 0.000 1.214 361 Y HN 0.151 nan 8.280 nan 0.000 0.455 362 E N 4.152 124.382 120.200 0.051 0.000 2.199 362 E HA 0.600 4.950 4.350 -0.000 0.000 0.269 362 E C -1.084 175.627 176.600 0.185 0.000 0.899 362 E CA -0.900 55.557 56.400 0.096 0.000 0.772 362 E CB 2.514 32.255 29.700 0.067 0.000 1.155 362 E HN 0.580 nan 8.360 nan 0.000 0.408 363 I N -1.275 119.417 120.570 0.203 0.000 2.608 363 I HA 0.627 4.797 4.170 -0.000 0.000 0.295 363 I C -0.934 175.305 176.117 0.203 0.000 1.049 363 I CA -0.749 60.654 61.300 0.171 0.000 1.063 363 I CB 2.141 40.064 38.000 -0.129 0.000 1.248 363 I HN 0.439 nan 8.210 nan 0.000 0.424 364 E N 5.132 125.435 120.200 0.172 0.000 2.293 364 E HA 0.610 4.960 4.350 -0.000 0.000 0.270 364 E C -1.545 175.130 176.600 0.125 0.000 0.879 364 E CA -0.830 55.602 56.400 0.053 0.000 0.756 364 E CB 3.145 32.684 29.700 -0.268 0.000 1.208 364 E HN 0.567 nan 8.360 nan 0.000 0.428 365 L N 2.909 124.217 121.223 0.142 0.000 2.309 365 L HA 0.613 4.952 4.340 -0.000 0.000 0.282 365 L C -0.112 176.814 176.870 0.094 0.000 1.036 365 L CA -0.880 54.069 54.840 0.182 0.000 0.806 365 L CB 0.791 42.980 42.059 0.217 0.000 1.220 365 L HN 0.263 nan 8.230 nan 0.000 0.429 366 R N 1.138 121.715 120.500 0.129 0.000 2.744 366 R HA 0.356 4.696 4.340 -0.000 0.000 0.279 366 R C -1.147 175.198 176.300 0.075 0.000 0.977 366 R CA -0.951 55.163 56.100 0.024 0.000 0.906 366 R CB 2.219 32.426 30.300 -0.154 0.000 1.197 366 R HN 0.722 nan 8.270 nan 0.000 0.463 367 D N -0.448 119.962 120.400 0.016 0.000 2.433 367 D HA -0.000 4.639 4.640 -0.000 0.000 0.255 367 D C 0.763 177.048 176.300 -0.024 0.000 1.226 367 D CA -0.447 53.562 54.000 0.016 0.000 1.015 367 D CB 0.599 41.413 40.800 0.024 0.000 1.091 367 D HN 0.572 nan 8.370 nan 0.000 0.527 368 E N -0.847 119.342 120.200 -0.018 0.000 2.209 368 E HA -0.228 4.122 4.350 -0.000 0.000 0.196 368 E C 1.529 178.070 176.600 -0.097 0.000 0.993 368 E CA 1.125 57.508 56.400 -0.028 0.000 0.819 368 E CB -0.225 29.468 29.700 -0.011 0.000 0.745 368 E HN 0.538 nan 8.360 nan 0.000 0.477 369 A N -0.421 122.277 122.820 -0.205 0.000 2.195 369 A HA 0.279 4.599 4.320 -0.000 0.000 0.210 369 A C 1.660 178.914 177.584 -0.549 0.000 1.165 369 A CA 0.859 52.659 52.037 -0.394 0.000 0.806 369 A CB 0.042 18.714 19.000 -0.546 0.000 0.847 369 A HN 0.419 nan 8.150 nan 0.000 0.482 370 G N -1.026 107.535 108.800 -0.399 0.000 2.141 370 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.231 370 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.231 370 G C -0.044 174.699 174.900 -0.261 0.000 0.984 370 G CA 0.324 45.228 45.100 -0.326 0.000 0.660 370 G HN 0.806 nan 8.290 nan 0.000 0.525 371 H N 0.279 119.306 119.070 -0.072 0.000 2.495 371 H HA 0.679 5.235 4.556 -0.000 0.000 0.350 371 H C 0.996 176.290 175.328 -0.055 0.000 1.202 371 H CA -0.521 55.489 56.048 -0.062 0.000 1.322 371 H CB 1.105 30.844 29.762 -0.037 0.000 1.544 371 H HN 0.527 nan 8.280 nan 0.000 0.565 372 A N 1.274 124.146 122.820 0.086 0.000 2.507 372 A HA 0.221 4.540 4.320 -0.000 0.000 0.235 372 A C -0.195 177.422 177.584 0.055 0.000 1.070 372 A CA -0.338 51.721 52.037 0.036 0.000 0.768 372 A CB 0.020 19.032 19.000 0.020 0.000 1.011 372 A HN 0.419 nan 8.150 nan 0.000 0.502 373 V N 4.245 124.190 119.914 0.053 0.000 2.370 373 V HA 0.321 4.440 4.120 -0.000 0.000 0.283 373 V C -2.112 174.012 176.094 0.051 0.000 1.023 373 V CA -1.261 61.076 62.300 0.062 0.000 0.857 373 V CB 1.038 32.912 31.823 0.085 0.000 0.985 373 V HN 0.841 nan 8.190 nan 0.000 0.443 374 P HA 0.154 nan 4.420 nan 0.000 0.268 374 P C -0.551 176.766 177.300 0.028 0.000 1.204 374 P CA -0.313 62.804 63.100 0.028 0.000 0.768 374 P CB 0.313 32.026 31.700 0.023 0.000 0.842 375 D N 1.802 122.211 120.400 0.015 0.000 2.533 375 D HA 0.243 4.883 4.640 -0.000 0.000 0.236 375 D C 1.615 177.921 176.300 0.011 0.000 1.137 375 D CA 1.824 55.826 54.000 0.004 0.000 0.867 375 D CB 0.077 40.869 40.800 -0.014 0.000 1.170 375 D HN 0.670 nan 8.370 nan 0.000 0.474 376 G N 2.371 111.180 108.800 0.016 0.000 2.232 376 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.226 376 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.226 376 G C 0.258 175.178 174.900 0.034 0.000 0.996 376 G CA -0.236 44.877 45.100 0.022 0.000 0.626 376 G HN 0.517 nan 8.290 nan 0.000 0.509 377 E N 0.034 120.259 120.200 0.042 0.000 2.242 377 E HA 0.540 4.890 4.350 -0.000 0.000 0.275 377 E C -0.109 176.533 176.600 0.070 0.000 1.002 377 E CA -0.743 55.688 56.400 0.052 0.000 0.841 377 E CB 2.404 32.134 29.700 0.050 0.000 1.109 377 E HN 0.078 nan 8.360 nan 0.000 0.394 378 V N 2.011 121.966 119.914 0.068 0.000 2.498 378 V HA 0.481 4.601 4.120 -0.000 0.000 0.279 378 V C 0.576 176.725 176.094 0.091 0.000 1.048 378 V CA 0.006 62.353 62.300 0.077 0.000 0.967 378 V CB 1.155 33.005 31.823 0.045 0.000 0.988 378 V HN 0.796 nan 8.190 nan 0.000 0.473 379 G N 2.975 111.851 108.800 0.127 0.000 2.949 379 G HA2 0.537 4.497 3.960 -0.000 0.000 0.285 379 G HA3 0.537 4.497 3.960 -0.000 0.000 0.285 379 G C -1.528 173.466 174.900 0.156 0.000 1.395 379 G CA -0.674 44.505 45.100 0.132 0.000 0.901 379 G HN 0.519 nan 8.290 nan 0.000 0.519 380 D N 0.131 120.627 120.400 0.160 0.000 2.256 380 D HA 0.325 4.964 4.640 -0.000 0.000 0.250 380 D C -0.262 176.132 176.300 0.158 0.000 1.093 380 D CA -0.170 53.906 54.000 0.126 0.000 0.882 380 D CB 2.445 43.305 40.800 0.100 0.000 1.185 380 D HN 0.164 nan 8.370 nan 0.000 0.437 381 L N 3.433 124.700 121.223 0.072 0.000 2.319 381 L HA 0.234 4.574 4.340 -0.000 0.000 0.280 381 L C -1.343 175.415 176.870 -0.187 0.000 1.099 381 L CA -0.080 54.798 54.840 0.064 0.000 0.828 381 L CB -0.002 42.137 42.059 0.132 0.000 1.150 381 L HN 0.237 nan 8.230 nan 0.000 0.442 382 Y N 5.124 125.427 120.300 0.006 0.000 2.429 382 Y HA 0.661 5.211 4.550 -0.000 0.000 0.342 382 Y C -0.361 175.638 175.900 0.164 0.000 1.004 382 Y CA -0.707 57.424 58.100 0.052 0.000 1.075 382 Y CB 1.697 40.142 38.460 -0.025 0.000 1.214 382 Y HN 0.398 nan 8.280 nan 0.000 0.455 383 I N 2.831 123.553 120.570 0.253 0.000 2.545 383 I HA 0.372 4.542 4.170 -0.000 0.000 0.292 383 I C -0.795 175.300 176.117 -0.038 0.000 1.040 383 I CA -0.819 60.477 61.300 -0.006 0.000 1.068 383 I CB 2.066 39.715 38.000 -0.586 0.000 1.251 383 I HN 0.407 nan 8.210 nan 0.000 0.424 384 K N 4.415 124.601 120.400 -0.356 0.000 2.450 384 K HA 0.845 5.164 4.320 -0.000 0.000 0.257 384 K C -0.745 175.628 176.600 -0.379 0.000 0.953 384 K CA -0.374 55.497 56.287 -0.694 0.000 0.844 384 K CB 1.540 33.078 32.500 -1.604 0.000 1.103 384 K HN 0.897 nan 8.250 nan 0.000 0.429 385 G N 2.713 111.330 108.800 -0.305 0.000 2.559 385 G HA2 0.306 4.266 3.960 -0.000 0.000 0.291 385 G HA3 0.306 4.266 3.960 -0.000 0.000 0.291 385 G C -2.669 171.996 174.900 -0.391 0.000 1.424 385 G CA -0.866 43.965 45.100 -0.447 0.000 0.786 385 G HN 0.400 nan 8.290 nan 0.000 0.485 386 P HA 0.110 nan 4.420 nan 0.000 0.255 386 P C 0.994 178.189 177.300 -0.174 0.000 1.248 386 P CA 0.609 63.377 63.100 -0.554 0.000 0.807 386 P CB 0.575 31.520 31.700 -1.259 0.000 1.150 387 S N -1.647 114.077 115.700 0.041 0.000 2.572 387 S HA 0.451 4.921 4.470 -0.000 0.000 0.228 387 S C 0.998 175.768 174.600 0.285 0.000 0.963 387 S CA -0.498 57.867 58.200 0.275 0.000 0.939 387 S CB -0.462 62.981 63.200 0.405 0.000 0.804 387 S HN 0.172 nan 8.310 nan 0.000 0.480 388 A N 1.825 124.745 122.820 0.168 0.000 2.540 388 A HA 0.631 4.951 4.320 -0.000 0.000 0.239 388 A C 0.917 178.550 177.584 0.082 0.000 1.061 388 A CA 0.069 52.201 52.037 0.159 0.000 0.758 388 A CB -0.487 18.559 19.000 0.076 0.000 0.991 388 A HN 0.932 nan 8.150 nan 0.000 0.502 389 A N 2.209 125.027 122.820 -0.003 0.000 2.429 389 A HA 0.361 4.681 4.320 -0.000 0.000 0.242 389 A C 1.344 178.537 177.584 -0.651 0.000 1.088 389 A CA 0.248 51.977 52.037 -0.513 0.000 0.784 389 A CB -0.037 18.523 19.000 -0.733 0.000 1.038 389 A HN 1.216 nan 8.150 nan 0.000 0.501 390 V N 0.603 120.114 119.914 -0.672 0.000 2.407 390 V HA 0.035 4.155 4.120 -0.000 0.000 0.245 390 V C 0.930 176.483 176.094 -0.901 0.000 1.041 390 V CA 2.204 64.160 62.300 -0.572 0.000 1.040 390 V CB -1.314 30.304 31.823 -0.342 0.000 0.671 390 V HN 0.933 nan 8.190 nan 0.000 0.455 391 M N -3.155 115.749 119.600 -1.160 0.000 3.198 391 M HA 0.384 4.863 4.480 -0.000 0.000 0.273 391 M C -2.132 173.768 176.300 -0.666 0.000 0.983 391 M CA -0.920 53.781 55.300 -0.997 0.000 0.801 391 M CB 1.465 33.814 32.600 -0.419 0.000 1.603 391 M HN -0.154 nan 8.290 nan 0.000 0.559 392 Y N 1.333 121.590 120.300 -0.072 0.000 2.313 392 Y HA 0.346 4.896 4.550 -0.000 0.000 0.332 392 Y C -0.206 175.664 175.900 -0.049 0.000 1.071 392 Y CA -0.185 57.915 58.100 0.001 0.000 1.169 392 Y CB 0.761 39.307 38.460 0.144 0.000 1.192 392 Y HN 0.571 nan 8.280 nan 0.000 0.487 393 W N 5.479 126.658 121.300 -0.201 0.000 2.264 393 W HA -0.058 4.602 4.660 -0.000 0.000 0.331 393 W C 0.546 177.065 176.519 -0.001 0.000 1.364 393 W CA 0.227 57.390 57.345 -0.302 0.000 1.253 393 W CB 0.390 29.331 29.460 -0.866 0.000 1.215 393 W HN 0.868 nan 8.180 nan 0.000 0.561 394 N N 3.808 122.175 118.700 -0.554 0.000 2.727 394 N HA -0.286 4.453 4.740 -0.000 0.000 0.249 394 N C -1.387 174.122 175.510 -0.000 0.000 1.048 394 N CA 1.226 54.095 53.050 -0.301 0.000 0.714 394 N CB -1.490 36.880 38.487 -0.194 0.000 0.959 394 N HN 0.452 nan 8.380 nan 0.000 0.544 395 N N 0.179 118.883 118.700 0.006 0.000 2.827 395 N HA 0.212 4.952 4.740 -0.000 0.000 0.240 395 N C 0.531 176.087 175.510 0.077 0.000 1.352 395 N CA -0.484 52.612 53.050 0.078 0.000 0.760 395 N CB 0.476 39.046 38.487 0.139 0.000 1.426 395 N HN 0.061 nan 8.380 nan 0.000 0.561 396 R N 0.894 121.411 120.500 0.029 0.000 2.066 396 R HA -0.072 4.268 4.340 -0.000 0.000 0.232 396 R C 1.484 177.822 176.300 0.064 0.000 1.131 396 R CA 0.989 57.107 56.100 0.030 0.000 0.955 396 R CB -0.366 29.933 30.300 -0.002 0.000 0.851 396 R HN 0.680 nan 8.270 nan 0.000 0.432 397 E N 0.943 121.175 120.200 0.054 0.000 2.038 397 E HA -0.194 4.155 4.350 -0.000 0.000 0.195 397 E C 1.547 178.196 176.600 0.082 0.000 1.000 397 E CA 1.320 57.751 56.400 0.051 0.000 0.803 397 E CB 0.191 29.908 29.700 0.028 0.000 0.750 397 E HN 0.010 nan 8.360 nan 0.000 0.448 398 K N 0.322 120.789 120.400 0.112 0.000 2.097 398 K HA -0.013 4.306 4.320 -0.000 0.000 0.205 398 K C 2.342 179.146 176.600 0.340 0.000 1.050 398 K CA 0.934 57.325 56.287 0.173 0.000 0.938 398 K CB -0.324 32.225 32.500 0.082 0.000 0.718 398 K HN 0.052 nan 8.250 nan 0.000 0.442 399 S N 1.200 117.127 115.700 0.378 0.000 2.356 399 S HA -0.106 4.364 4.470 -0.000 0.000 0.223 399 S C 1.957 176.709 174.600 0.253 0.000 1.032 399 S CA 1.173 59.607 58.200 0.390 0.000 1.005 399 S CB -0.139 63.202 63.200 0.235 0.000 0.867 399 S HN 0.319 nan 8.310 nan 0.000 0.449 400 R N 0.990 121.579 120.500 0.148 0.000 2.189 400 R HA 0.087 4.426 4.340 -0.000 0.000 0.223 400 R C 2.190 178.535 176.300 0.075 0.000 1.092 400 R CA 1.024 57.182 56.100 0.097 0.000 0.989 400 R CB -0.275 30.062 30.300 0.062 0.000 0.876 400 R HN 0.389 nan 8.270 nan 0.000 0.457 401 A N -0.471 122.389 122.820 0.068 0.000 2.178 401 A HA 0.022 4.342 4.320 -0.000 0.000 0.211 401 A C 1.525 179.100 177.584 -0.015 0.000 1.157 401 A CA 0.946 53.004 52.037 0.034 0.000 0.780 401 A CB 0.210 19.229 19.000 0.032 0.000 0.828 401 A HN 0.180 nan 8.150 nan 0.000 0.476 402 T N -1.611 112.892 114.554 -0.086 0.000 3.098 402 T HA 0.274 4.623 4.350 -0.000 0.000 0.246 402 T C -0.233 174.185 174.700 -0.470 0.000 0.983 402 T CA 0.035 61.921 62.100 -0.356 0.000 1.094 402 T CB -0.033 68.487 68.868 -0.580 0.000 1.035 402 T HN 0.216 nan 8.240 nan 0.000 0.456 403 F N 2.914 122.839 119.950 -0.042 0.000 2.351 403 F HA 0.444 4.971 4.527 -0.000 0.000 0.362 403 F C 0.182 175.986 175.800 0.005 0.000 1.131 403 F CA -0.812 57.154 58.000 -0.056 0.000 1.187 403 F CB -0.087 38.828 39.000 -0.142 0.000 1.434 403 F HN -0.027 nan 8.300 nan 0.000 0.553 404 L N 3.781 125.105 121.223 0.168 0.000 2.923 404 L HA 0.431 4.770 4.340 -0.000 0.000 0.231 404 L C 1.198 178.171 176.870 0.172 0.000 1.300 404 L CA -0.286 54.652 54.840 0.163 0.000 1.184 404 L CB -0.663 41.508 42.059 0.188 0.000 1.511 404 L HN 0.882 nan 8.230 nan 0.000 0.448 405 G N 1.055 109.930 108.800 0.125 0.000 2.609 405 G HA2 -0.358 3.601 3.960 -0.000 0.000 0.288 405 G HA3 -0.358 3.601 3.960 -0.000 0.000 0.288 405 G C 0.678 175.600 174.900 0.037 0.000 1.211 405 G CA 0.484 45.630 45.100 0.077 0.000 0.963 405 G HN 0.477 nan 8.290 nan 0.000 0.541 406 E N 0.052 120.253 120.200 0.003 0.000 2.427 406 E HA 0.148 4.498 4.350 -0.000 0.000 0.196 406 E C 0.112 176.487 176.600 -0.374 0.000 1.028 406 E CA 0.232 56.506 56.400 -0.210 0.000 0.864 406 E CB 0.115 29.636 29.700 -0.299 0.000 0.813 406 E HN 0.421 nan 8.360 nan 0.000 0.514 407 W N 0.277 121.588 121.300 0.017 0.000 2.666 407 W HA 0.484 5.144 4.660 -0.000 0.000 0.334 407 W C -0.329 176.221 176.519 0.051 0.000 1.051 407 W CA -0.600 56.768 57.345 0.038 0.000 1.224 407 W CB 1.031 30.527 29.460 0.059 0.000 1.405 407 W HN -0.219 nan 8.180 nan 0.000 0.513 408 I N 2.851 123.563 120.570 0.236 0.000 2.412 408 I HA 0.331 4.501 4.170 -0.000 0.000 0.296 408 I C 0.317 176.427 176.117 -0.011 0.000 0.987 408 I CA -1.287 60.035 61.300 0.037 0.000 1.180 408 I CB 1.505 39.463 38.000 -0.070 0.000 1.340 408 I HN 0.321 nan 8.210 nan 0.000 0.455 409 R N 4.086 124.498 120.500 -0.147 0.000 2.210 409 R HA 0.125 4.465 4.340 -0.000 0.000 0.338 409 R C 1.106 177.205 176.300 -0.335 0.000 1.062 409 R CA -0.011 55.850 56.100 -0.399 0.000 0.902 409 R CB 0.843 30.991 30.300 -0.253 0.000 1.050 409 R HN 0.835 nan 8.270 nan 0.000 0.461 410 S N 3.198 118.692 115.700 -0.344 0.000 2.436 410 S HA 0.014 4.484 4.470 -0.000 0.000 0.228 410 S C 1.449 176.006 174.600 -0.071 0.000 1.014 410 S CA 0.700 58.809 58.200 -0.150 0.000 0.950 410 S CB 0.008 63.166 63.200 -0.068 0.000 0.784 410 S HN 0.981 nan 8.310 nan 0.000 0.504 411 G N 0.923 109.657 108.800 -0.109 0.000 2.184 411 G HA2 -0.190 3.769 3.960 -0.000 0.000 0.264 411 G HA3 -0.190 3.769 3.960 -0.000 0.000 0.264 411 G C -0.354 174.574 174.900 0.047 0.000 0.975 411 G CA 0.372 45.453 45.100 -0.032 0.000 0.642 411 G HN 0.609 nan 8.290 nan 0.000 0.536 412 D N 0.204 120.668 120.400 0.108 0.000 2.217 412 D HA 0.507 5.146 4.640 -0.000 0.000 0.248 412 D C 0.037 176.459 176.300 0.204 0.000 1.008 412 D CA -0.331 53.818 54.000 0.248 0.000 0.914 412 D CB 1.165 42.263 40.800 0.495 0.000 1.182 412 D HN -0.048 nan 8.370 nan 0.000 0.451 413 K N 1.500 121.977 120.400 0.128 0.000 2.235 413 K HA 0.432 4.751 4.320 -0.000 0.000 0.266 413 K C -0.981 175.644 176.600 0.041 0.000 0.980 413 K CA -0.545 55.778 56.287 0.060 0.000 0.849 413 K CB 1.418 33.875 32.500 -0.072 0.000 1.098 413 K HN 0.448 nan 8.250 nan 0.000 0.445 414 Y N -0.507 119.868 120.300 0.125 0.000 2.581 414 Y HA 0.375 4.924 4.550 -0.000 0.000 0.345 414 Y C -0.466 175.535 175.900 0.169 0.000 1.036 414 Y CA -0.644 57.575 58.100 0.198 0.000 1.042 414 Y CB 2.099 40.736 38.460 0.295 0.000 1.289 414 Y HN 0.611 nan 8.280 nan 0.000 0.471 415 C N 2.716 122.230 119.300 0.355 0.000 2.802 415 C HA 0.729 5.189 4.460 -0.000 0.000 0.307 415 C C -1.210 173.887 174.990 0.179 0.000 1.222 415 C CA -0.652 58.490 59.018 0.207 0.000 1.580 415 C CB 1.525 29.325 27.740 0.100 0.000 2.119 415 C HN 0.937 nan 8.230 nan 0.000 0.479 416 R N 4.118 124.624 120.500 0.010 0.000 2.437 416 R HA 0.676 5.015 4.340 -0.000 0.000 0.310 416 R C -1.079 175.145 176.300 -0.126 0.000 0.955 416 R CA -0.507 55.455 56.100 -0.230 0.000 0.851 416 R CB 0.970 31.010 30.300 -0.433 0.000 1.161 416 R HN 0.798 nan 8.270 nan 0.000 0.446 417 L N 5.773 126.923 121.223 -0.122 0.000 2.456 417 L HA 0.323 4.663 4.340 -0.000 0.000 0.257 417 L C -1.342 175.492 176.870 -0.059 0.000 1.162 417 L CA -1.980 52.827 54.840 -0.055 0.000 0.808 417 L CB 0.709 42.755 42.059 -0.021 0.000 1.136 417 L HN 0.502 nan 8.230 nan 0.000 0.466 418 P HA -0.202 nan 4.420 nan 0.000 0.218 418 P C 0.660 177.950 177.300 -0.018 0.000 1.154 418 P CA 1.430 64.520 63.100 -0.018 0.000 0.872 418 P CB -0.124 31.573 31.700 -0.005 0.000 0.790 419 N N -1.348 117.345 118.700 -0.013 0.000 2.515 419 N HA 0.036 4.775 4.740 -0.000 0.000 0.191 419 N C 1.233 176.738 175.510 -0.009 0.000 1.182 419 N CA 0.980 54.028 53.050 -0.003 0.000 0.879 419 N CB -1.085 37.408 38.487 0.009 0.000 0.984 419 N HN 0.255 nan 8.380 nan 0.000 0.453 420 G N -1.069 107.704 108.800 -0.045 0.000 2.225 420 G HA2 -0.309 3.650 3.960 -0.000 0.000 0.254 420 G HA3 -0.309 3.650 3.960 -0.000 0.000 0.254 420 G C 0.049 174.887 174.900 -0.103 0.000 0.988 420 G CA 0.276 45.336 45.100 -0.067 0.000 0.625 420 G HN 0.527 nan 8.290 nan 0.000 0.527 421 C N 1.211 120.483 119.300 -0.047 0.000 2.593 421 C HA 0.581 5.041 4.460 -0.000 0.000 0.409 421 C C 0.670 175.646 174.990 -0.022 0.000 1.304 421 C CA -0.844 58.196 59.018 0.036 0.000 2.007 421 C CB -0.887 26.899 27.740 0.075 0.000 2.614 421 C HN 0.301 nan 8.230 nan 0.000 0.585 422 Y N 1.144 121.536 120.300 0.154 0.000 2.304 422 Y HA 0.496 5.046 4.550 -0.000 0.000 0.328 422 Y C 0.424 176.553 175.900 0.381 0.000 1.123 422 Y CA -0.119 58.143 58.100 0.271 0.000 1.218 422 Y CB 0.748 39.313 38.460 0.175 0.000 1.207 422 Y HN 0.395 nan 8.280 nan 0.000 0.495 423 V N 3.958 124.181 119.914 0.515 0.000 2.531 423 V HA 0.138 4.257 4.120 -0.000 0.000 0.301 423 V C -0.998 175.060 176.094 -0.060 0.000 1.034 423 V CA -1.250 61.202 62.300 0.254 0.000 0.865 423 V CB 1.239 33.138 31.823 0.126 0.000 0.995 423 V HN 0.556 nan 8.190 nan 0.000 0.424 424 Y N 3.858 123.879 120.300 -0.466 0.000 2.377 424 Y HA 0.500 5.050 4.550 -0.000 0.000 0.330 424 Y C 0.896 176.548 175.900 -0.413 0.000 1.108 424 Y CA 0.059 57.608 58.100 -0.918 0.000 1.308 424 Y CB 1.561 39.686 38.460 -0.558 0.000 1.216 424 Y HN 0.698 nan 8.280 nan 0.000 0.518 425 A N 3.861 126.216 122.820 -0.773 0.000 2.197 425 A HA 0.599 4.918 4.320 -0.000 0.000 0.210 425 A C 0.937 178.091 177.584 -0.715 0.000 1.180 425 A CA 0.685 52.402 52.037 -0.534 0.000 0.846 425 A CB -0.553 18.285 19.000 -0.270 0.000 0.884 425 A HN 1.495 nan 8.150 nan 0.000 0.487 426 G N -0.846 107.161 108.800 -1.322 0.000 2.354 426 G HA2 0.155 4.115 3.960 -0.000 0.000 0.582 426 G HA3 0.155 4.115 3.960 -0.000 0.000 0.582 426 G C -1.142 173.499 174.900 -0.431 0.000 1.316 426 G CA -1.084 43.424 45.100 -0.986 0.000 0.995 426 G HN 0.285 nan 8.290 nan 0.000 0.573 427 R N 0.275 120.720 120.500 -0.092 0.000 2.643 427 R HA 0.399 4.739 4.340 -0.000 0.000 0.270 427 R C 1.791 178.073 176.300 -0.030 0.000 1.061 427 R CA 0.343 56.460 56.100 0.028 0.000 1.107 427 R CB 1.008 31.348 30.300 0.067 0.000 0.999 427 R HN 0.699 nan 8.270 nan 0.000 0.460 428 S N 1.332 117.026 115.700 -0.009 0.000 2.365 428 S HA -0.187 4.282 4.470 -0.000 0.000 0.225 428 S C 0.913 175.494 174.600 -0.033 0.000 1.039 428 S CA 1.802 59.987 58.200 -0.024 0.000 1.033 428 S CB 0.007 63.197 63.200 -0.017 0.000 0.887 428 S HN 0.493 nan 8.310 nan 0.000 0.447 429 D N 1.116 121.500 120.400 -0.026 0.000 2.218 429 D HA -0.039 4.600 4.640 -0.000 0.000 0.204 429 D C 1.222 177.504 176.300 -0.029 0.000 0.976 429 D CA 0.886 54.869 54.000 -0.029 0.000 0.853 429 D CB -0.391 40.393 40.800 -0.026 0.000 0.939 429 D HN 0.489 nan 8.370 nan 0.000 0.481 430 D N -0.321 120.060 120.400 -0.031 0.000 2.340 430 D HA -0.012 4.627 4.640 -0.000 0.000 0.220 430 D C 0.694 176.952 176.300 -0.069 0.000 1.039 430 D CA 0.024 54.001 54.000 -0.038 0.000 0.866 430 D CB 0.171 40.954 40.800 -0.029 0.000 0.913 430 D HN 0.131 nan 8.370 nan 0.000 0.523 431 M N 1.082 120.635 119.600 -0.079 0.000 2.248 431 M HA 0.119 4.598 4.480 -0.000 0.000 0.345 431 M C 0.355 176.580 176.300 -0.124 0.000 1.243 431 M CA 0.118 55.360 55.300 -0.097 0.000 1.090 431 M CB 0.437 32.990 32.600 -0.078 0.000 1.683 431 M HN -0.160 nan 8.290 nan 0.000 0.450 432 L N 2.489 123.614 121.223 -0.163 0.000 2.343 432 L HA 0.544 4.884 4.340 -0.000 0.000 0.275 432 L C 0.143 176.719 176.870 -0.489 0.000 1.056 432 L CA -0.745 53.944 54.840 -0.252 0.000 0.804 432 L CB 0.845 42.774 42.059 -0.216 0.000 1.203 432 L HN 0.551 nan 8.230 nan 0.000 0.440 439 V N 2.324 122.309 119.914 0.119 0.000 2.487 439 V HA 0.555 4.675 4.120 -0.000 0.000 0.298 439 V C 0.299 176.370 176.094 -0.038 0.000 1.028 439 V CA -0.492 61.852 62.300 0.074 0.000 0.860 439 V CB 1.598 33.438 31.823 0.028 0.000 0.991 439 V HN 0.354 nan 8.190 nan 0.000 0.427 440 S N 7.346 123.021 115.700 -0.041 0.000 2.481 440 S HA 0.180 4.650 4.470 -0.000 0.000 0.282 440 S C -0.765 173.778 174.600 -0.094 0.000 1.243 440 S CA -0.809 57.333 58.200 -0.095 0.000 1.078 440 S CB 0.836 63.972 63.200 -0.106 0.000 0.916 440 S HN 0.669 nan 8.310 nan 0.000 0.495 441 P HA -0.081 nan 4.420 nan 0.000 0.218 441 P C 1.486 178.748 177.300 -0.064 0.000 1.149 441 P CA 0.769 63.824 63.100 -0.074 0.000 0.817 441 P CB -0.049 31.609 31.700 -0.070 0.000 0.785 442 V N 1.069 120.917 119.914 -0.111 0.000 2.358 442 V HA -0.196 3.924 4.120 -0.000 0.000 0.246 442 V C 2.789 178.859 176.094 -0.040 0.000 1.047 442 V CA 1.895 64.146 62.300 -0.081 0.000 1.035 442 V CB -1.298 30.421 31.823 -0.173 0.000 0.658 442 V HN 0.183 nan 8.190 nan 0.000 0.452 443 E N 0.331 120.496 120.200 -0.058 0.000 2.085 443 E HA -0.215 4.134 4.350 -0.000 0.000 0.194 443 E C 2.136 178.737 176.600 0.001 0.000 0.994 443 E CA 1.964 58.350 56.400 -0.024 0.000 0.801 443 E CB -0.009 29.672 29.700 -0.033 0.000 0.743 443 E HN 0.467 nan 8.360 nan 0.000 0.453 444 V N 1.101 121.012 119.914 -0.005 0.000 2.307 444 V HA -0.221 3.899 4.120 -0.000 0.000 0.245 444 V C 2.120 178.240 176.094 0.043 0.000 1.045 444 V CA 2.129 64.440 62.300 0.018 0.000 1.024 444 V CB -0.630 31.194 31.823 0.002 0.000 0.651 444 V HN 0.257 nan 8.190 nan 0.000 0.449 445 E N -0.151 120.069 120.200 0.033 0.000 2.058 445 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 445 E C 2.295 178.935 176.600 0.066 0.000 0.997 445 E CA 1.523 57.952 56.400 0.048 0.000 0.801 445 E CB -0.243 29.482 29.700 0.042 0.000 0.746 445 E HN 0.371 nan 8.360 nan 0.000 0.450 446 M N 0.377 120.015 119.600 0.063 0.000 2.149 446 M HA -0.134 4.346 4.480 -0.000 0.000 0.261 446 M C 2.391 178.754 176.300 0.106 0.000 1.064 446 M CA 1.094 56.440 55.300 0.077 0.000 1.102 446 M CB -0.706 31.934 32.600 0.067 0.000 1.369 446 M HN 0.056 nan 8.290 nan 0.000 0.408 447 V N 0.235 120.216 119.914 0.113 0.000 2.307 447 V HA -0.239 3.880 4.120 -0.000 0.000 0.245 447 V C 2.546 178.823 176.094 0.304 0.000 1.045 447 V CA 1.300 63.709 62.300 0.180 0.000 1.024 447 V CB -0.714 31.179 31.823 0.116 0.000 0.651 447 V HN 0.376 nan 8.190 nan 0.000 0.449 448 L N 0.662 122.008 121.223 0.205 0.000 2.013 448 L HA -0.185 4.155 4.340 -0.000 0.000 0.212 448 L C 2.504 179.423 176.870 0.081 0.000 1.073 448 L CA 2.054 56.986 54.840 0.154 0.000 0.753 448 L CB -0.599 41.504 42.059 0.073 0.000 0.890 448 L HN 0.480 nan 8.230 nan 0.000 0.432 449 V N -3.750 116.213 119.914 0.082 0.000 3.078 449 V HA -0.201 3.919 4.120 -0.000 0.000 0.265 449 V C 1.955 178.076 176.094 0.044 0.000 1.122 449 V CA 1.092 63.420 62.300 0.046 0.000 1.141 449 V CB -0.717 31.138 31.823 0.053 0.000 0.735 449 V HN 0.507 nan 8.190 nan 0.000 0.498 450 Q N -0.342 119.526 119.800 0.115 0.000 2.364 450 Q HA -0.060 4.280 4.340 -0.000 0.000 0.207 450 Q C 1.081 177.067 176.000 -0.024 0.000 0.970 450 Q CA 0.704 56.590 55.803 0.139 0.000 0.888 450 Q CB -0.169 28.762 28.738 0.322 0.000 0.951 450 Q HN 0.801 nan 8.270 nan 0.000 0.469 451 H N 1.191 120.001 119.070 -0.432 0.000 2.764 451 H HA -0.032 4.524 4.556 -0.001 0.000 0.341 451 H C 0.199 175.270 175.328 -0.429 0.000 1.072 451 H CA 0.169 55.736 56.048 -0.803 0.000 1.444 451 H CB 1.045 30.130 29.762 -1.127 0.000 1.458 451 H HN 0.094 nan 8.280 nan 0.000 0.572 452 D N 3.662 123.709 120.400 -0.588 0.000 2.263 452 D HA -0.106 4.534 4.640 -0.000 0.000 0.208 452 D C 1.713 177.736 176.300 -0.461 0.000 0.971 452 D CA 1.218 55.017 54.000 -0.334 0.000 0.867 452 D CB -0.010 40.657 40.800 -0.221 0.000 0.929 452 D HN 0.655 nan 8.370 nan 0.000 0.492 453 A N 0.152 122.630 122.820 -0.570 0.000 2.119 453 A HA 0.054 4.374 4.320 -0.000 0.000 0.216 453 A C 1.100 178.373 177.584 -0.519 0.000 1.152 453 A CA 0.186 51.457 52.037 -1.276 0.000 0.708 453 A CB 0.320 18.689 19.000 -1.052 0.000 0.805 453 A HN 0.053 nan 8.150 nan 0.000 0.460 454 V N 1.045 120.816 119.914 -0.238 0.000 2.383 454 V HA 0.171 4.291 4.120 -0.000 0.000 0.275 454 V C 1.178 177.246 176.094 -0.044 0.000 1.036 454 V CA -0.327 61.910 62.300 -0.106 0.000 0.889 454 V CB 1.223 33.000 31.823 -0.076 0.000 0.985 454 V HN 0.464 nan 8.190 nan 0.000 0.459 455 L N 4.814 126.037 121.223 0.000 0.000 2.084 455 L HA 0.291 4.630 4.340 -0.000 0.000 0.202 455 L C 0.808 177.706 176.870 0.046 0.000 1.074 455 L CA 1.709 56.570 54.840 0.036 0.000 0.757 455 L CB 0.103 42.195 42.059 0.056 0.000 0.918 455 L HN 0.766 nan 8.230 nan 0.000 0.444 456 E N -1.643 118.587 120.200 0.050 0.000 2.413 456 E HA 0.699 5.049 4.350 -0.000 0.000 0.277 456 E C -1.485 175.150 176.600 0.058 0.000 0.958 456 E CA -0.543 55.890 56.400 0.055 0.000 0.779 456 E CB 1.873 31.607 29.700 0.057 0.000 1.278 456 E HN 0.135 nan 8.360 nan 0.000 0.456 457 A N 0.700 123.556 122.820 0.059 0.000 2.549 457 A HA 0.837 5.157 4.320 -0.000 0.000 0.297 457 A C -1.670 175.955 177.584 0.068 0.000 1.061 457 A CA -0.402 51.674 52.037 0.065 0.000 0.690 457 A CB 1.823 20.852 19.000 0.049 0.000 1.287 457 A HN 0.576 nan 8.150 nan 0.000 0.402 458 A N 0.939 123.816 122.820 0.095 0.000 2.374 458 A HA 0.726 5.045 4.320 -0.000 0.000 0.305 458 A C -1.158 176.505 177.584 0.132 0.000 1.053 458 A CA -0.486 51.602 52.037 0.085 0.000 0.726 458 A CB 1.455 20.478 19.000 0.039 0.000 1.229 458 A HN 1.404 nan 8.150 nan 0.000 0.431 459 V N 3.174 123.135 119.914 0.079 0.000 2.409 459 V HA 0.647 4.767 4.120 -0.000 0.000 0.291 459 V C -0.066 176.059 176.094 0.052 0.000 1.020 459 V CA -0.335 62.005 62.300 0.067 0.000 0.848 459 V CB 1.174 33.009 31.823 0.019 0.000 0.990 459 V HN 1.207 nan 8.190 nan 0.000 0.430 460 V N 1.942 121.906 119.914 0.084 0.000 3.130 460 V HA 1.007 5.127 4.120 -0.000 0.000 0.310 460 V C 0.165 176.277 176.094 0.030 0.000 1.158 460 V CA -0.669 61.661 62.300 0.051 0.000 1.029 460 V CB 2.033 33.896 31.823 0.067 0.000 1.057 460 V HN 0.869 nan 8.190 nan 0.000 0.436 461 G N 1.063 109.857 108.800 -0.009 0.000 2.319 461 G HA2 0.600 4.560 3.960 -0.000 0.000 0.308 461 G HA3 0.600 4.560 3.960 -0.000 0.000 0.308 461 G C -0.388 174.507 174.900 -0.008 0.000 1.117 461 G CA -0.055 45.029 45.100 -0.027 0.000 0.903 461 G HN 1.829 nan 8.290 nan 0.000 0.436 462 V N 0.898 120.818 119.914 0.010 0.000 2.448 462 V HA 0.541 4.661 4.120 -0.000 0.000 0.295 462 V C -0.729 175.333 176.094 -0.054 0.000 1.025 462 V CA -1.279 61.010 62.300 -0.018 0.000 0.859 462 V CB 1.925 33.773 31.823 0.042 0.000 0.988 462 V HN 0.561 nan 8.190 nan 0.000 0.431 463 D N 3.887 124.209 120.400 -0.130 0.000 2.380 463 D HA 0.223 4.862 4.640 -0.000 0.000 0.230 463 D C -0.554 175.614 176.300 -0.219 0.000 1.154 463 D CA -0.093 53.841 54.000 -0.109 0.000 0.859 463 D CB 0.313 41.065 40.800 -0.080 0.000 1.045 463 D HN 0.775 nan 8.370 nan 0.000 0.495 464 H N 2.632 121.696 119.070 -0.010 0.000 2.623 464 H HA 0.279 4.835 4.556 -0.000 0.000 0.299 464 H C 0.802 176.125 175.328 -0.008 0.000 1.052 464 H CA -0.702 55.341 56.048 -0.008 0.000 1.231 464 H CB 1.199 30.954 29.762 -0.011 0.000 1.389 464 H HN 0.514 nan 8.280 nan 0.000 0.469 465 G N 2.232 111.074 108.800 0.069 0.000 2.164 465 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.259 465 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.259 465 G C 0.798 175.718 174.900 0.034 0.000 0.894 465 G CA 0.240 45.360 45.100 0.033 0.000 0.961 465 G HN 0.731 nan 8.290 nan 0.000 0.369 466 G N 2.355 111.168 108.800 0.021 0.000 4.912 466 G HA2 0.478 4.438 3.960 -0.000 0.000 0.307 466 G HA3 0.478 4.438 3.960 -0.000 0.000 0.307 466 G C -0.015 174.892 174.900 0.010 0.000 1.381 466 G CA -0.566 44.540 45.100 0.010 0.000 1.057 466 G HN 0.587 nan 8.290 nan 0.000 0.593 467 L N 0.810 122.047 121.223 0.024 0.000 2.333 467 L HA 0.448 4.787 4.340 -0.000 0.000 0.280 467 L C -0.202 176.681 176.870 0.021 0.000 1.004 467 L CA -1.174 53.679 54.840 0.022 0.000 0.820 467 L CB 2.420 44.496 42.059 0.028 0.000 1.247 467 L HN -0.150 nan 8.230 nan 0.000 0.416 468 V N 3.707 123.621 119.914 -0.000 0.000 2.455 468 V HA 0.210 4.329 4.120 -0.000 0.000 0.273 468 V C 0.194 176.281 176.094 -0.011 0.000 1.045 468 V CA -0.429 61.863 62.300 -0.014 0.000 0.976 468 V CB 0.852 32.649 31.823 -0.043 0.000 0.993 468 V HN 0.768 nan 8.190 nan 0.000 0.475 469 K N 2.442 122.846 120.400 0.006 0.000 2.259 469 K HA 0.660 4.980 4.320 -0.000 0.000 0.249 469 K C -0.484 176.098 176.600 -0.030 0.000 0.942 469 K CA -0.646 55.634 56.287 -0.013 0.000 0.816 469 K CB 1.550 34.053 32.500 0.005 0.000 1.155 469 K HN 0.393 nan 8.250 nan 0.000 0.428 470 T N 2.392 116.905 114.554 -0.068 0.000 2.814 470 T HA 0.138 4.487 4.350 -0.000 0.000 0.297 470 T C -0.439 174.218 174.700 -0.072 0.000 0.956 470 T CA -0.260 61.796 62.100 -0.074 0.000 1.123 470 T CB 0.170 68.975 68.868 -0.107 0.000 0.902 470 T HN 0.515 nan 8.240 nan 0.000 0.528 471 R N 1.772 122.242 120.500 -0.050 0.000 2.561 471 R HA 0.649 4.989 4.340 -0.000 0.000 0.297 471 R C -1.188 175.043 176.300 -0.115 0.000 0.969 471 R CA -0.696 55.329 56.100 -0.124 0.000 0.879 471 R CB 1.139 31.355 30.300 -0.140 0.000 1.178 471 R HN 0.683 nan 8.270 nan 0.000 0.445 472 A N 4.752 127.446 122.820 -0.210 0.000 2.292 472 A HA 0.542 4.862 4.320 -0.000 0.000 0.319 472 A C -1.179 176.210 177.584 -0.325 0.000 1.206 472 A CA -0.481 51.470 52.037 -0.143 0.000 0.835 472 A CB 0.300 19.234 19.000 -0.109 0.000 1.164 472 A HN 0.638 nan 8.150 nan 0.000 0.505 473 F N 2.223 122.121 119.950 -0.087 0.000 2.404 473 F HA 0.498 5.024 4.527 -0.001 0.000 0.354 473 F C 0.079 175.846 175.800 -0.055 0.000 1.122 473 F CA -0.414 57.536 58.000 -0.083 0.000 1.080 473 F CB 1.988 40.953 39.000 -0.059 0.000 1.131 473 F HN 0.250 nan 8.300 nan 0.000 0.471 474 V N 4.687 124.645 119.914 0.072 0.000 2.487 474 V HA 0.398 4.517 4.120 -0.000 0.000 0.298 474 V C -0.532 175.671 176.094 0.181 0.000 1.028 474 V CA -0.895 61.463 62.300 0.096 0.000 0.860 474 V CB 1.999 33.852 31.823 0.049 0.000 0.991 474 V HN 0.432 nan 8.190 nan 0.000 0.427 475 V N 6.591 126.585 119.914 0.134 0.000 2.383 475 V HA 0.415 4.535 4.120 -0.000 0.000 0.275 475 V C 0.078 176.231 176.094 0.099 0.000 1.036 475 V CA -0.368 62.004 62.300 0.121 0.000 0.889 475 V CB 1.302 33.176 31.823 0.086 0.000 0.985 475 V HN 0.613 nan 8.190 nan 0.000 0.459 476 L N 4.678 125.959 121.223 0.096 0.000 2.375 476 L HA 0.451 4.791 4.340 -0.000 0.000 0.271 476 L C 0.644 177.559 176.870 0.075 0.000 1.107 476 L CA -0.595 54.272 54.840 0.045 0.000 0.806 476 L CB 0.879 42.936 42.059 -0.004 0.000 1.146 476 L HN 0.539 nan 8.230 nan 0.000 0.447 477 K N 1.258 121.714 120.400 0.094 0.000 2.380 477 K HA -0.006 4.314 4.320 -0.000 0.000 0.267 477 K C 1.171 177.907 176.600 0.227 0.000 0.990 477 K CA -0.109 56.286 56.287 0.180 0.000 0.946 477 K CB 0.624 33.270 32.500 0.243 0.000 0.937 477 K HN 0.562 nan 8.250 nan 0.000 0.491 478 R N 1.089 121.674 120.500 0.141 0.000 2.200 478 R HA -0.182 4.157 4.340 -0.000 0.000 0.234 478 R C 0.463 176.785 176.300 0.037 0.000 1.127 478 R CA 1.601 57.748 56.100 0.078 0.000 0.989 478 R CB -0.117 30.212 30.300 0.048 0.000 0.869 478 R HN 0.540 nan 8.270 nan 0.000 0.459 479 E N 0.078 120.292 120.200 0.024 0.000 2.502 479 E HA 0.100 4.450 4.350 -0.000 0.000 0.194 479 E C -0.676 175.646 176.600 -0.464 0.000 1.062 479 E CA 0.397 56.658 56.400 -0.232 0.000 0.867 479 E CB 0.109 29.598 29.700 -0.351 0.000 0.888 479 E HN 0.253 nan 8.360 nan 0.000 0.510 480 F N 0.159 120.079 119.950 -0.049 0.000 2.495 480 F HA 0.624 5.151 4.527 -0.000 0.000 0.327 480 F C 0.119 175.842 175.800 -0.128 0.000 1.103 480 F CA -1.418 56.534 58.000 -0.081 0.000 0.949 480 F CB 1.524 40.479 39.000 -0.076 0.000 1.142 480 F HN -0.236 nan 8.300 nan 0.000 0.457 481 A N 3.574 126.396 122.820 0.003 0.000 2.324 481 A HA 0.829 5.148 4.320 -0.000 0.000 0.330 481 A C -2.648 174.786 177.584 -0.251 0.000 1.165 481 A CA -1.781 50.196 52.037 -0.100 0.000 0.813 481 A CB 0.522 19.474 19.000 -0.079 0.000 1.197 481 A HN 0.432 nan 8.150 nan 0.000 0.484 482 P HA 0.399 nan 4.420 nan 0.000 0.275 482 P C -0.453 176.654 177.300 -0.322 0.000 1.227 482 P CA 0.027 62.676 63.100 -0.751 0.000 0.781 482 P CB 1.188 32.566 31.700 -0.537 0.000 0.906 483 S N 0.054 115.625 115.700 -0.215 0.000 2.567 483 S HA 0.231 4.701 4.470 -0.000 0.000 0.270 483 S C 0.633 175.331 174.600 0.164 0.000 1.152 483 S CA -0.767 57.443 58.200 0.016 0.000 0.835 483 S CB 1.237 64.427 63.200 -0.016 0.000 1.115 483 S HN 0.338 nan 8.310 nan 0.000 0.459 484 E N 0.448 120.719 120.200 0.118 0.000 2.153 484 E HA -0.076 4.274 4.350 -0.000 0.000 0.194 484 E C 1.458 178.110 176.600 0.087 0.000 0.988 484 E CA 1.201 57.664 56.400 0.106 0.000 0.811 484 E CB -0.217 29.518 29.700 0.058 0.000 0.746 484 E HN 0.577 nan 8.360 nan 0.000 0.466 485 I N 0.826 121.435 120.570 0.066 0.000 2.127 485 I HA -0.249 3.921 4.170 -0.000 0.000 0.241 485 I C 2.480 178.639 176.117 0.070 0.000 1.075 485 I CA 1.012 62.345 61.300 0.055 0.000 1.334 485 I CB -0.861 37.163 38.000 0.041 0.000 1.040 485 I HN 0.220 nan 8.210 nan 0.000 0.405 486 L N 1.437 122.710 121.223 0.085 0.000 2.056 486 L HA -0.088 4.252 4.340 -0.000 0.000 0.207 486 L C 2.633 179.609 176.870 0.176 0.000 1.078 486 L CA 2.103 56.998 54.840 0.092 0.000 0.749 486 L CB -0.966 41.099 42.059 0.011 0.000 0.901 486 L HN 0.192 nan 8.230 nan 0.000 0.433 487 A N -0.557 122.453 122.820 0.317 0.000 1.892 487 A HA -0.308 4.012 4.320 -0.000 0.000 0.218 487 A C 2.265 179.864 177.584 0.024 0.000 1.188 487 A CA 2.007 54.125 52.037 0.135 0.000 0.631 487 A CB -0.877 18.140 19.000 0.028 0.000 0.822 487 A HN 0.556 nan 8.150 nan 0.000 0.447 488 E N 0.119 120.340 120.200 0.036 0.000 2.085 488 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 488 E C 1.960 178.567 176.600 0.011 0.000 0.994 488 E CA 1.871 58.279 56.400 0.013 0.000 0.801 488 E CB -0.387 29.325 29.700 0.018 0.000 0.743 488 E HN 0.710 nan 8.360 nan 0.000 0.453 489 E N -0.231 119.984 120.200 0.025 0.000 2.085 489 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 489 E C 2.160 178.772 176.600 0.021 0.000 0.994 489 E CA 1.382 57.806 56.400 0.040 0.000 0.801 489 E CB -0.184 29.550 29.700 0.057 0.000 0.743 489 E HN 0.361 nan 8.360 nan 0.000 0.453 490 L N 0.418 121.593 121.223 -0.079 0.000 2.056 490 L HA -0.176 4.163 4.340 -0.000 0.000 0.207 490 L C 2.625 179.520 176.870 0.042 0.000 1.078 490 L CA 1.226 56.001 54.840 -0.107 0.000 0.749 490 L CB -0.333 41.620 42.059 -0.178 0.000 0.901 490 L HN 0.069 nan 8.230 nan 0.000 0.433 491 K N 0.256 120.660 120.400 0.007 0.000 2.026 491 K HA -0.156 4.164 4.320 -0.000 0.000 0.208 491 K C 2.273 178.821 176.600 -0.087 0.000 1.048 491 K CA 1.449 57.735 56.287 -0.001 0.000 0.929 491 K CB -0.342 32.149 32.500 -0.015 0.000 0.713 491 K HN 0.262 nan 8.250 nan 0.000 0.439 492 A N 1.293 124.073 122.820 -0.068 0.000 1.908 492 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 492 A C 2.025 179.616 177.584 0.012 0.000 1.181 492 A CA 1.357 53.352 52.037 -0.069 0.000 0.627 492 A CB -0.798 18.193 19.000 -0.015 0.000 0.818 492 A HN 0.364 nan 8.150 nan 0.000 0.445 493 F N 0.610 120.543 119.950 -0.028 0.000 2.126 493 F HA -0.190 4.337 4.527 -0.000 0.000 0.299 493 F C 2.208 178.013 175.800 0.009 0.000 1.096 493 F CA 2.154 60.170 58.000 0.028 0.000 1.255 493 F CB -0.125 38.940 39.000 0.109 0.000 0.997 493 F HN 0.047 nan 8.300 nan 0.000 0.479 494 V N 0.435 120.416 119.914 0.112 0.000 2.407 494 V HA -0.250 3.870 4.120 -0.000 0.000 0.245 494 V C 2.371 178.448 176.094 -0.029 0.000 1.041 494 V CA 2.014 64.341 62.300 0.045 0.000 1.040 494 V CB -0.762 31.147 31.823 0.143 0.000 0.671 494 V HN 0.302 nan 8.190 nan 0.000 0.455 495 K N 0.262 120.611 120.400 -0.086 0.000 2.113 495 K HA -0.265 4.054 4.320 -0.000 0.000 0.208 495 K C 1.665 178.200 176.600 -0.108 0.000 1.047 495 K CA 2.084 58.280 56.287 -0.153 0.000 0.928 495 K CB -0.248 31.978 32.500 -0.456 0.000 0.716 495 K HN 0.390 nan 8.250 nan 0.000 0.446 496 D N -0.063 120.255 120.400 -0.137 0.000 2.310 496 D HA -0.064 4.575 4.640 -0.000 0.000 0.212 496 D C 1.400 177.611 176.300 -0.147 0.000 0.965 496 D CA 0.867 54.786 54.000 -0.136 0.000 0.879 496 D CB 0.201 40.907 40.800 -0.157 0.000 0.921 496 D HN 0.274 nan 8.370 nan 0.000 0.510 497 R N -1.090 119.313 120.500 -0.161 0.000 2.373 497 R HA 0.340 4.680 4.340 -0.000 0.000 0.221 497 R C 0.225 176.483 176.300 -0.070 0.000 0.893 497 R CA 0.072 56.083 56.100 -0.148 0.000 1.049 497 R CB 1.160 31.315 30.300 -0.241 0.000 1.119 497 R HN 0.019 nan 8.270 nan 0.000 0.535 498 L N -0.597 120.603 121.223 -0.038 0.000 2.359 498 L HA 0.599 4.939 4.340 -0.000 0.000 0.256 498 L C -0.383 176.496 176.870 0.015 0.000 1.026 498 L CA -1.450 53.383 54.840 -0.011 0.000 0.828 498 L CB 1.671 43.723 42.059 -0.011 0.000 1.406 498 L HN -0.055 nan 8.230 nan 0.000 0.413 499 A N 1.242 124.073 122.820 0.018 0.000 2.547 499 A HA 0.232 4.552 4.320 -0.000 0.000 0.233 499 A C -1.806 175.838 177.584 0.100 0.000 1.067 499 A CA -0.523 51.561 52.037 0.078 0.000 0.763 499 A CB -0.407 18.688 19.000 0.157 0.000 1.007 499 A HN 0.624 nan 8.150 nan 0.000 0.506 500 P HA -0.166 nan 4.420 nan 0.000 0.220 500 P C 0.984 178.401 177.300 0.194 0.000 1.148 500 P CA 1.753 64.995 63.100 0.237 0.000 0.803 500 P CB -0.168 31.646 31.700 0.191 0.000 0.782 501 H N -0.687 118.403 119.070 0.034 0.000 2.555 501 H HA 0.174 4.730 4.556 -0.000 0.000 0.269 501 H C 1.114 176.462 175.328 0.032 0.000 0.988 501 H CA 0.754 56.806 56.048 0.007 0.000 1.178 501 H CB -0.384 29.362 29.762 -0.026 0.000 1.373 501 H HN 0.144 nan 8.280 nan 0.000 0.588 502 K N 0.657 120.867 120.400 -0.316 0.000 2.242 502 K HA 0.020 4.339 4.320 -0.000 0.000 0.200 502 K C 0.242 176.780 176.600 -0.102 0.000 1.050 502 K CA 0.022 56.162 56.287 -0.244 0.000 0.981 502 K CB 0.054 32.401 32.500 -0.254 0.000 0.795 502 K HN 0.284 nan 8.250 nan 0.000 0.477 503 Y N 3.036 123.302 120.300 -0.057 0.000 2.578 503 Y HA 0.148 4.698 4.550 -0.000 0.000 0.339 503 Y C -2.585 173.299 175.900 -0.027 0.000 1.231 503 Y CA -3.277 54.804 58.100 -0.032 0.000 1.461 503 Y CB -0.367 38.081 38.460 -0.019 0.000 1.323 503 Y HN -0.088 nan 8.280 nan 0.000 0.590 504 P HA 0.200 nan 4.420 nan 0.000 0.275 504 P C -0.434 176.868 177.300 0.004 0.000 1.227 504 P CA -0.294 62.791 63.100 -0.025 0.000 0.781 504 P CB 1.609 33.304 31.700 -0.008 0.000 0.906 505 R N 0.795 121.231 120.500 -0.107 0.000 2.127 505 R HA 0.125 4.464 4.340 -0.000 0.000 0.217 505 R C 0.234 176.511 176.300 -0.038 0.000 1.074 505 R CA 1.217 57.281 56.100 -0.060 0.000 0.991 505 R CB -0.237 30.001 30.300 -0.103 0.000 0.895 505 R HN 0.542 nan 8.270 nan 0.000 0.450 506 D N -0.868 119.472 120.400 -0.100 0.000 2.433 506 D HA 0.351 4.991 4.640 -0.000 0.000 0.236 506 D C -0.450 175.704 176.300 -0.244 0.000 1.026 506 D CA -0.357 53.544 54.000 -0.165 0.000 0.884 506 D CB 2.025 42.701 40.800 -0.207 0.000 1.384 506 D HN -0.191 nan 8.370 nan 0.000 0.477 507 I N 1.437 121.811 120.570 -0.327 0.000 2.436 507 I HA 0.308 4.477 4.170 -0.000 0.000 0.289 507 I C -0.502 175.218 176.117 -0.661 0.000 1.010 507 I CA -0.796 60.202 61.300 -0.503 0.000 1.098 507 I CB 1.756 39.428 38.000 -0.547 0.000 1.266 507 I HN -0.007 nan 8.210 nan 0.000 0.434 508 V N 6.546 126.026 119.914 -0.723 0.000 2.417 508 V HA 0.400 4.519 4.120 -0.000 0.000 0.291 508 V C -0.372 175.451 176.094 -0.452 0.000 1.024 508 V CA -0.584 61.365 62.300 -0.585 0.000 0.861 508 V CB 1.610 33.055 31.823 -0.631 0.000 0.985 508 V HN 0.331 nan 8.190 nan 0.000 0.436 509 F N 4.876 124.793 119.950 -0.056 0.000 2.420 509 F HA 0.612 5.139 4.527 -0.000 0.000 0.352 509 F C 0.384 176.210 175.800 0.042 0.000 1.108 509 F CA -0.477 57.519 58.000 -0.006 0.000 1.162 509 F CB 1.426 40.419 39.000 -0.011 0.000 1.118 509 F HN 0.380 nan 8.300 nan 0.000 0.510 510 V N -0.533 119.530 119.914 0.248 0.000 2.962 510 V HA 0.513 4.633 4.120 -0.000 0.000 0.313 510 V C 0.042 176.215 176.094 0.131 0.000 1.099 510 V CA -0.887 61.519 62.300 0.176 0.000 0.971 510 V CB 2.104 34.035 31.823 0.180 0.000 1.028 510 V HN 0.577 nan 8.190 nan 0.000 0.430 511 D N 0.723 121.177 120.400 0.091 0.000 2.234 511 D HA 0.126 4.766 4.640 -0.000 0.000 0.205 511 D C 0.116 176.449 176.300 0.055 0.000 0.962 511 D CA 1.672 55.712 54.000 0.066 0.000 0.855 511 D CB 0.394 41.223 40.800 0.048 0.000 0.951 511 D HN 0.811 nan 8.370 nan 0.000 0.500 512 D N -1.200 119.228 120.400 0.048 0.000 2.654 512 D HA 0.268 4.908 4.640 -0.000 0.000 0.231 512 D C -1.131 175.176 176.300 0.011 0.000 1.239 512 D CA -0.575 53.442 54.000 0.029 0.000 0.790 512 D CB 1.471 42.279 40.800 0.012 0.000 1.480 512 D HN -0.211 nan 8.370 nan 0.000 0.442 513 L N 2.192 123.413 121.223 -0.003 0.000 2.375 513 L HA 0.483 4.823 4.340 -0.000 0.000 0.271 513 L C -1.793 175.028 176.870 -0.082 0.000 1.107 513 L CA -1.610 53.201 54.840 -0.049 0.000 0.806 513 L CB 1.143 43.183 42.059 -0.033 0.000 1.146 513 L HN 0.244 nan 8.230 nan 0.000 0.447 514 P HA 0.197 nan 4.420 nan 0.000 0.276 514 P C -1.314 175.906 177.300 -0.134 0.000 1.243 514 P CA -0.199 62.805 63.100 -0.160 0.000 0.768 514 P CB 0.711 32.256 31.700 -0.259 0.000 0.856 515 K N 1.137 121.482 120.400 -0.091 0.000 2.464 515 K HA 0.371 4.691 4.320 -0.000 0.000 0.253 515 K C 0.350 176.923 176.600 -0.044 0.000 0.933 515 K CA -0.700 55.551 56.287 -0.060 0.000 0.801 515 K CB 1.940 34.417 32.500 -0.039 0.000 1.271 515 K HN 0.427 nan 8.250 nan 0.000 0.430 516 T N -1.157 113.377 114.554 -0.033 0.000 2.791 516 T HA 0.036 4.386 4.350 -0.000 0.000 0.323 516 T C 1.457 176.143 174.700 -0.024 0.000 1.082 516 T CA 0.191 62.276 62.100 -0.025 0.000 1.084 516 T CB 0.901 69.739 68.868 -0.050 0.000 0.992 516 T HN 0.649 nan 8.240 nan 0.000 0.547 517 A N 1.427 124.255 122.820 0.012 0.000 1.986 517 A HA -0.094 4.226 4.320 -0.000 0.000 0.220 517 A C 2.548 180.142 177.584 0.016 0.000 1.171 517 A CA 2.265 54.344 52.037 0.069 0.000 0.640 517 A CB -1.766 17.354 19.000 0.200 0.000 0.811 517 A HN 1.198 nan 8.150 nan 0.000 0.451 518 T N -4.216 110.272 114.554 -0.111 0.000 3.160 518 T HA 0.352 4.702 4.350 -0.000 0.000 0.257 518 T C 1.416 176.005 174.700 -0.185 0.000 1.147 518 T CA 1.125 63.026 62.100 -0.332 0.000 1.064 518 T CB -0.190 68.051 68.868 -1.046 0.000 0.949 518 T HN 1.782 nan 8.240 nan 0.000 0.526 519 G N 0.992 109.736 108.800 -0.093 0.000 2.157 519 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.239 519 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.239 519 G C -0.069 174.807 174.900 -0.041 0.000 0.982 519 G CA -0.058 45.018 45.100 -0.040 0.000 0.650 519 G HN 0.655 nan 8.290 nan 0.000 0.527 520 K N 0.141 120.496 120.400 -0.074 0.000 2.218 520 K HA 0.575 4.895 4.320 -0.000 0.000 0.276 520 K C 0.630 177.216 176.600 -0.023 0.000 1.022 520 K CA -0.578 55.684 56.287 -0.041 0.000 0.946 520 K CB 1.257 33.724 32.500 -0.053 0.000 1.000 520 K HN 0.258 nan 8.250 nan 0.000 0.468 521 I N 2.873 123.438 120.570 -0.007 0.000 2.471 521 I HA -0.029 4.140 4.170 -0.000 0.000 0.286 521 I C 0.448 176.544 176.117 -0.034 0.000 1.079 521 I CA 0.018 61.300 61.300 -0.030 0.000 1.398 521 I CB 0.733 38.721 38.000 -0.019 0.000 1.403 521 I HN 0.382 nan 8.210 nan 0.000 0.530 522 Q N 6.384 126.122 119.800 -0.103 0.000 2.844 522 Q HA 0.188 4.528 4.340 -0.000 0.000 0.235 522 Q C 0.900 176.729 176.000 -0.285 0.000 1.336 522 Q CA -0.164 55.541 55.803 -0.163 0.000 1.026 522 Q CB 0.374 28.897 28.738 -0.358 0.000 1.513 522 Q HN 0.490 nan 8.270 nan 0.000 0.577 523 R N 0.518 120.956 120.500 -0.103 0.000 2.120 523 R HA -0.173 4.167 4.340 -0.000 0.000 0.234 523 R C 1.788 178.020 176.300 -0.114 0.000 1.123 523 R CA 1.575 57.607 56.100 -0.113 0.000 0.975 523 R CB -0.275 30.011 30.300 -0.025 0.000 0.866 523 R HN 0.600 nan 8.270 nan 0.000 0.446 524 F N 1.072 120.965 119.950 -0.096 0.000 2.161 524 F HA -0.124 4.402 4.527 -0.000 0.000 0.300 524 F C 1.609 177.342 175.800 -0.113 0.000 1.089 524 F CA 1.020 58.964 58.000 -0.095 0.000 1.282 524 F CB -0.301 38.649 39.000 -0.083 0.000 1.010 524 F HN -0.229 nan 8.300 nan 0.000 0.485 525 K N 1.116 120.889 120.400 -1.045 0.000 2.057 525 K HA -0.078 4.241 4.320 -0.000 0.000 0.207 525 K C 2.139 178.472 176.600 -0.445 0.000 1.049 525 K CA 1.808 57.641 56.287 -0.756 0.000 0.931 525 K CB -0.469 31.545 32.500 -0.810 0.000 0.714 525 K HN 0.397 nan 8.250 nan 0.000 0.440 526 L N 0.555 121.490 121.223 -0.480 0.000 2.093 526 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 526 L C 2.467 179.174 176.870 -0.272 0.000 1.085 526 L CA 1.129 55.620 54.840 -0.582 0.000 0.755 526 L CB -0.373 41.192 42.059 -0.824 0.000 0.904 526 L HN 0.146 nan 8.230 nan 0.000 0.435 527 R N 0.244 120.652 120.500 -0.155 0.000 2.120 527 R HA -0.111 4.228 4.340 -0.000 0.000 0.234 527 R C 0.949 177.213 176.300 -0.060 0.000 1.123 527 R CA 0.818 56.884 56.100 -0.056 0.000 0.975 527 R CB -0.179 30.108 30.300 -0.023 0.000 0.866 527 R HN 0.589 nan 8.270 nan 0.000 0.446 528 E N 0.000 120.151 120.200 -0.081 0.000 2.725 528 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 528 E CA 0.000 56.366 56.400 -0.057 0.000 0.976 528 E CB 0.000 29.688 29.700 -0.020 0.000 0.812 528 E HN 0.000 nan 8.360 nan 0.000 0.440