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 3e80_1_A DATA FIRST_RESID 27 DATA SEQUENCE TKADVVWKDV DGVSMPIPPK THPRLYLREQ QVPDLKNRMN DPKLKKVWAD DATA SEQUENCE MIKMQEDWKP ADIPEVKDFR FYFNQKGLTV RVELMALNYL MTKDPKVGRE DATA SEQUENCE AITSIIDTLE TATFKPAGDI SRGIGLFMVT GAIVYDWCYD QLKPEEKTRF DATA SEQUENCE VKAFVRLAKM LECGYPPVKD KSIVGHASEW MIMRDLLSVG IAIYDEFPEM DATA SEQUENCE YNLAAGRFFK EHLVARNWFY PSHNYHQGMS YLNVRFTNDL FALWILDRMG DATA SEQUENCE AGNVFNPGQQ FILYDAIYKR RPDGQILAGG DVDYSRKKPK YYTMPALLAG DATA SEQUENCE SYYKDEYLNY EFLKDPNVEP HCKLFEFLWR DTQLGSRKPD DLPLSRYSGS DATA SEQUENCE PFGWMIARTG WGPESVIAEM KVNEYSFLNH QHQDAGAFQI YYKGPLAIDA DATA SEQUENCE GSYTGSSGGY NSPHNKNFFK RTIAHNSLLI YDPKETFSSS GYGGSDHTDF DATA SEQUENCE AANDGGQRLP GKGWIAPRDL KEMLAGDFRT GKILAQGFGP DNQTPDYTYL DATA SEQUENCE KGDITAAYSA KVKEVKRSFL FLNLKDAKVP AAMIVFDKVV ASNPDFKKFW DATA SEQUENCE LLHSIEQPEI KGNQITIKRT KNGDSGMLVN TALLPDAANS NITSIGGKGK DATA SEQUENCE DFWVFGTNYT NDPKPGTDEA LERGEWRVEI TPKKAAAEDY YLNVIQIADN DATA SEQUENCE TQQKLHEVKR IDGDKVVGVQ LADRIVTFSK TSETVDRPFG FSVVGKGTFK DATA SEQUENCE FVMTDLLPGT WQVLKDGKIL YPALSAKGDD GALYFEGTEG TYRFLR 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 27 T HA 0.000 nan 4.350 nan 0.000 0.228 27 T C 0.000 174.683 174.700 -0.029 0.000 1.109 27 T CA 0.000 62.053 62.100 -0.078 0.000 1.349 27 T CB 0.000 68.844 68.868 -0.040 0.000 0.612 28 K N 0.817 121.211 120.400 -0.011 0.000 2.401 28 K HA 0.557 4.878 4.320 0.000 0.000 0.278 28 K C 0.684 177.313 176.600 0.048 0.000 1.018 28 K CA -0.013 56.286 56.287 0.019 0.000 0.981 28 K CB 0.315 32.822 32.500 0.012 0.000 0.933 28 K HN 0.868 nan 8.250 nan 0.000 0.477 29 A N 3.513 126.388 122.820 0.091 0.000 2.546 29 A HA -0.015 4.306 4.320 0.000 0.000 0.243 29 A C 0.366 178.026 177.584 0.126 0.000 1.063 29 A CA 0.351 52.478 52.037 0.150 0.000 0.757 29 A CB 0.059 19.229 19.000 0.282 0.000 0.991 29 A HN 0.929 nan 8.150 nan 0.000 0.503 30 D N 1.147 121.605 120.400 0.097 0.000 2.539 30 D HA 0.096 4.736 4.640 0.000 0.000 0.232 30 D C 0.279 176.603 176.300 0.041 0.000 1.256 30 D CA 0.497 54.535 54.000 0.063 0.000 0.810 30 D CB -0.984 39.833 40.800 0.027 0.000 1.090 30 D HN 0.444 nan 8.370 nan 0.000 0.519 31 V N -1.196 118.737 119.914 0.030 0.000 3.170 31 V HA 0.578 4.699 4.120 0.000 0.000 0.309 31 V C 0.487 176.570 176.094 -0.018 0.000 1.071 31 V CA -0.890 61.365 62.300 -0.075 0.000 1.063 31 V CB 1.503 33.181 31.823 -0.241 0.000 1.123 31 V HN -0.115 nan 8.190 nan 0.000 0.464 32 V N 1.364 121.223 119.914 -0.092 0.000 2.498 32 V HA 0.285 4.406 4.120 0.000 0.000 0.279 32 V C -0.468 175.582 176.094 -0.074 0.000 1.048 32 V CA -0.103 62.195 62.300 -0.003 0.000 0.967 32 V CB 0.642 32.448 31.823 -0.028 0.000 0.988 32 V HN 0.904 nan 8.190 nan 0.000 0.473 33 W N 3.795 125.064 121.300 -0.052 0.000 2.551 33 W HA 0.723 5.383 4.660 0.000 0.000 0.330 33 W C 0.106 176.593 176.519 -0.053 0.000 1.063 33 W CA -0.671 56.636 57.345 -0.063 0.000 1.222 33 W CB 1.200 30.627 29.460 -0.055 0.000 1.349 33 W HN 0.393 nan 8.180 nan 0.000 0.536 34 K N 1.811 122.294 120.400 0.138 0.000 2.501 34 K HA 0.244 4.565 4.320 0.000 0.000 0.252 34 K C -1.136 175.505 176.600 0.068 0.000 0.934 34 K CA -0.703 55.633 56.287 0.082 0.000 0.797 34 K CB 1.270 33.790 32.500 0.034 0.000 1.270 34 K HN 0.278 nan 8.250 nan 0.000 0.431 35 D N 2.176 122.610 120.400 0.057 0.000 2.458 35 D HA 0.093 4.734 4.640 0.000 0.000 0.243 35 D C -0.629 175.682 176.300 0.018 0.000 1.146 35 D CA 0.204 54.226 54.000 0.037 0.000 0.877 35 D CB 1.039 41.855 40.800 0.026 0.000 1.176 35 D HN 0.150 nan 8.370 nan 0.000 0.461 36 V N 2.893 122.812 119.914 0.010 0.000 2.407 36 V HA 0.144 4.264 4.120 0.000 0.000 0.291 36 V C -0.065 176.032 176.094 0.004 0.000 1.018 36 V CA -0.929 61.373 62.300 0.004 0.000 0.842 36 V CB 1.581 33.402 31.823 -0.003 0.000 0.996 36 V HN 0.577 nan 8.190 nan 0.000 0.426 37 D N 4.111 124.512 120.400 0.002 0.000 2.686 37 D HA -0.207 4.433 4.640 0.000 0.000 0.235 37 D C 1.328 177.628 176.300 0.001 0.000 1.160 37 D CA 1.479 55.479 54.000 -0.000 0.000 0.645 37 D CB -0.931 39.868 40.800 -0.002 0.000 1.039 37 D HN 1.507 nan 8.370 nan 0.000 0.423 38 G N -1.855 106.947 108.800 0.003 0.000 2.168 38 G HA2 -0.302 3.659 3.960 0.000 0.000 0.263 38 G HA3 -0.302 3.659 3.960 0.000 0.000 0.263 38 G C 0.298 175.202 174.900 0.008 0.000 0.977 38 G CA 0.385 45.487 45.100 0.002 0.000 0.659 38 G HN 0.627 nan 8.290 nan 0.000 0.533 39 V N 0.817 120.740 119.914 0.016 0.000 2.444 39 V HA 0.666 4.786 4.120 0.000 0.000 0.294 39 V C 0.745 176.866 176.094 0.046 0.000 1.022 39 V CA -0.159 62.160 62.300 0.032 0.000 0.850 39 V CB 1.689 33.537 31.823 0.041 0.000 0.992 39 V HN 0.553 nan 8.190 nan 0.000 0.426 40 S N 6.680 122.425 115.700 0.075 0.000 2.525 40 S HA 0.525 4.995 4.470 0.000 0.000 0.285 40 S C -0.378 174.344 174.600 0.202 0.000 1.283 40 S CA 0.022 58.311 58.200 0.149 0.000 1.072 40 S CB -0.175 63.095 63.200 0.116 0.000 0.867 40 S HN 0.615 nan 8.310 nan 0.000 0.492 41 M N 6.501 126.162 119.600 0.101 0.000 2.501 41 M HA 0.475 4.955 4.480 0.000 0.000 0.293 41 M C -2.517 173.471 176.300 -0.521 0.000 1.192 41 M CA -2.180 52.903 55.300 -0.361 0.000 0.886 41 M CB 2.751 35.083 32.600 -0.447 0.000 1.710 41 M HN 0.447 nan 8.290 nan 0.000 0.457 42 P HA 0.408 nan 4.420 nan 0.000 0.279 42 P C -1.217 175.700 177.300 -0.639 0.000 1.252 42 P CA -0.223 62.085 63.100 -1.320 0.000 0.811 42 P CB 0.925 31.688 31.700 -1.562 0.000 1.035 43 I N 2.722 122.947 120.570 -0.576 0.000 2.378 43 I HA 0.284 4.454 4.170 0.000 0.000 0.291 43 I C -2.190 173.544 176.117 -0.639 0.000 0.992 43 I CA -2.959 58.022 61.300 -0.532 0.000 1.154 43 I CB 1.706 39.515 38.000 -0.318 0.000 1.315 43 I HN 0.098 nan 8.210 nan 0.000 0.448 44 P HA 0.059 nan 4.420 nan 0.000 0.264 44 P C -2.429 174.563 177.300 -0.513 0.000 1.183 44 P CA -0.647 61.959 63.100 -0.824 0.000 0.763 44 P CB -0.262 30.691 31.700 -1.245 0.000 0.807 45 P HA 0.110 nan 4.420 nan 0.000 0.271 45 P C -0.622 176.541 177.300 -0.227 0.000 1.218 45 P CA -0.076 62.883 63.100 -0.235 0.000 0.780 45 P CB 0.421 32.011 31.700 -0.184 0.000 0.901 46 K N 1.236 121.547 120.400 -0.149 0.000 2.111 46 K HA 0.395 4.716 4.320 0.000 0.000 0.249 46 K C 0.063 176.577 176.600 -0.143 0.000 1.157 46 K CA 0.050 56.262 56.287 -0.126 0.000 1.048 46 K CB -0.378 32.094 32.500 -0.047 0.000 1.498 46 K HN 0.371 nan 8.250 nan 0.000 0.344 47 T N 1.146 115.536 114.554 -0.274 0.000 3.033 47 T HA 0.182 4.532 4.350 0.000 0.000 0.362 47 T C -1.986 172.476 174.700 -0.397 0.000 1.723 47 T CA -0.880 61.101 62.100 -0.199 0.000 1.110 47 T CB 0.604 69.406 68.868 -0.110 0.000 1.515 47 T HN 0.571 nan 8.240 nan 0.000 0.484 48 H N 2.585 121.625 119.070 -0.051 0.000 2.690 48 H HA 0.643 5.199 4.556 0.000 0.000 0.368 48 H C -2.140 173.209 175.328 0.035 0.000 1.150 48 H CA -1.297 54.753 56.048 0.003 0.000 1.174 48 H CB 1.556 31.332 29.762 0.024 0.000 1.684 48 H HN 0.391 nan 8.280 nan 0.000 0.538 49 P HA 0.168 nan 4.420 nan 0.000 0.274 49 P C -0.237 177.112 177.300 0.082 0.000 1.237 49 P CA -0.509 62.703 63.100 0.188 0.000 0.793 49 P CB 1.502 33.243 31.700 0.070 0.000 0.977 50 R N -0.413 120.147 120.500 0.100 0.000 2.504 50 R HA 0.324 4.664 4.340 0.000 0.000 0.341 50 R C -0.379 175.974 176.300 0.087 0.000 0.905 50 R CA -0.464 55.654 56.100 0.030 0.000 1.133 50 R CB -0.299 29.928 30.300 -0.123 0.000 1.704 50 R HN 0.209 nan 8.270 nan 0.000 0.503 51 L N 1.837 123.159 121.223 0.165 0.000 2.264 51 L HA 0.355 4.695 4.340 0.000 0.000 0.289 51 L C -0.057 176.944 176.870 0.219 0.000 1.044 51 L CA -0.010 54.831 54.840 0.002 0.000 0.807 51 L CB -0.011 41.904 42.059 -0.240 0.000 1.192 51 L HN 0.407 nan 8.230 nan 0.000 0.425 52 Y N 3.771 124.423 120.300 0.587 0.000 4.782 52 Y HA -0.352 4.199 4.550 0.000 0.000 0.273 52 Y C 0.259 176.578 175.900 0.698 0.000 0.984 52 Y CA 1.035 59.621 58.100 0.810 0.000 1.897 52 Y CB -1.503 37.453 38.460 0.826 0.000 1.230 52 Y HN 0.600 nan 8.280 nan 0.000 0.470 53 L N -3.521 118.033 121.223 0.552 0.000 2.869 53 L HA 0.851 5.191 4.340 0.000 0.000 0.265 53 L C -0.844 176.130 176.870 0.173 0.000 1.011 53 L CA -1.426 53.610 54.840 0.327 0.000 0.913 53 L CB 1.861 44.057 42.059 0.229 0.000 1.490 53 L HN -0.173 nan 8.230 nan 0.000 0.410 54 R N 0.490 121.049 120.500 0.099 0.000 2.902 54 R HA 0.303 4.643 4.340 0.000 0.000 0.258 54 R C 0.360 176.662 176.300 0.003 0.000 1.071 54 R CA -0.836 55.288 56.100 0.041 0.000 1.024 54 R CB 1.630 31.946 30.300 0.027 0.000 1.184 54 R HN 0.911 nan 8.270 nan 0.000 0.492 55 E N 1.431 121.623 120.200 -0.012 0.000 2.136 55 E HA -0.282 4.069 4.350 0.000 0.000 0.202 55 E C 1.588 178.171 176.600 -0.029 0.000 1.019 55 E CA 1.881 58.264 56.400 -0.028 0.000 0.819 55 E CB -0.003 29.684 29.700 -0.021 0.000 0.739 55 E HN 0.514 nan 8.360 nan 0.000 0.458 56 Q N -0.577 119.213 119.800 -0.016 0.000 2.152 56 Q HA -0.213 4.128 4.340 0.000 0.000 0.206 56 Q C 1.406 177.395 176.000 -0.018 0.000 0.985 56 Q CA 1.983 57.777 55.803 -0.016 0.000 0.863 56 Q CB -0.045 28.688 28.738 -0.007 0.000 0.904 56 Q HN 0.533 nan 8.270 nan 0.000 0.422 57 Q N -0.930 118.863 119.800 -0.011 0.000 2.247 57 Q HA 0.077 4.417 4.340 0.000 0.000 0.204 57 Q C 1.675 177.648 176.000 -0.045 0.000 0.872 57 Q CA 0.086 55.880 55.803 -0.015 0.000 0.951 57 Q CB 0.318 29.070 28.738 0.024 0.000 1.099 57 Q HN 0.158 nan 8.270 nan 0.000 0.501 58 V N 2.426 122.301 119.914 -0.065 0.000 2.261 58 V HA -0.154 3.966 4.120 0.000 0.000 0.246 58 V C -0.586 175.451 176.094 -0.095 0.000 1.047 58 V CA 1.930 64.168 62.300 -0.103 0.000 1.015 58 V CB -1.219 30.530 31.823 -0.123 0.000 0.642 58 V HN 0.277 nan 8.190 nan 0.000 0.446 59 P HA -0.099 nan 4.420 nan 0.000 0.230 59 P C 0.955 178.213 177.300 -0.069 0.000 1.158 59 P CA 1.212 64.270 63.100 -0.071 0.000 0.769 59 P CB -0.053 31.613 31.700 -0.058 0.000 0.807 60 D N -1.181 119.178 120.400 -0.068 0.000 2.349 60 D HA -0.019 4.622 4.640 0.000 0.000 0.224 60 D C 1.635 177.878 176.300 -0.095 0.000 1.029 60 D CA 0.311 54.268 54.000 -0.072 0.000 0.879 60 D CB -0.535 40.228 40.800 -0.062 0.000 0.906 60 D HN 0.032 nan 8.370 nan 0.000 0.528 61 L N -0.135 121.030 121.223 -0.095 0.000 2.093 61 L HA -0.114 4.227 4.340 0.000 0.000 0.208 61 L C 2.323 179.150 176.870 -0.071 0.000 1.085 61 L CA 0.783 55.568 54.840 -0.091 0.000 0.755 61 L CB -0.403 41.622 42.059 -0.056 0.000 0.904 61 L HN -0.015 nan 8.230 nan 0.000 0.435 62 K N 0.803 121.157 120.400 -0.077 0.000 2.113 62 K HA -0.183 4.137 4.320 0.000 0.000 0.208 62 K C 1.718 178.271 176.600 -0.077 0.000 1.047 62 K CA 1.639 57.878 56.287 -0.080 0.000 0.928 62 K CB -0.314 32.141 32.500 -0.076 0.000 0.716 62 K HN 0.367 nan 8.250 nan 0.000 0.446 63 N N 0.083 118.736 118.700 -0.078 0.000 2.250 63 N HA -0.064 4.677 4.740 0.000 0.000 0.181 63 N C 1.774 177.233 175.510 -0.085 0.000 1.017 63 N CA 0.808 53.814 53.050 -0.074 0.000 0.866 63 N CB -0.184 38.262 38.487 -0.069 0.000 0.985 63 N HN 0.214 nan 8.380 nan 0.000 0.429 64 R N 0.357 120.778 120.500 -0.132 0.000 2.120 64 R HA 0.004 4.344 4.340 0.000 0.000 0.234 64 R C 2.025 178.299 176.300 -0.043 0.000 1.123 64 R CA 0.924 56.901 56.100 -0.206 0.000 0.975 64 R CB -0.176 29.816 30.300 -0.514 0.000 0.866 64 R HN 0.100 nan 8.270 nan 0.000 0.446 65 M N 0.791 120.406 119.600 0.025 0.000 2.229 65 M HA -0.107 4.373 4.480 0.000 0.000 0.264 65 M C 0.730 177.003 176.300 -0.044 0.000 1.063 65 M CA 1.843 57.140 55.300 -0.004 0.000 1.114 65 M CB -0.061 32.430 32.600 -0.182 0.000 1.387 65 M HN 0.031 nan 8.290 nan 0.000 0.420 66 N N -0.449 118.223 118.700 -0.047 0.000 2.336 66 N HA -0.011 4.730 4.740 0.000 0.000 0.189 66 N C -0.490 175.009 175.510 -0.018 0.000 1.113 66 N CA -0.071 52.957 53.050 -0.038 0.000 0.858 66 N CB 0.162 38.621 38.487 -0.047 0.000 0.970 66 N HN 0.237 nan 8.380 nan 0.000 0.471 67 D N 1.245 121.637 120.400 -0.013 0.000 2.336 67 D HA 0.068 4.708 4.640 0.000 0.000 0.249 67 D C -1.448 174.866 176.300 0.023 0.000 1.213 67 D CA -2.430 51.566 54.000 -0.007 0.000 0.870 67 D CB 1.297 42.078 40.800 -0.031 0.000 1.076 67 D HN 0.076 nan 8.370 nan 0.000 0.483 68 P HA -0.155 nan 4.420 nan 0.000 0.218 68 P C 0.820 178.151 177.300 0.052 0.000 1.149 68 P CA 1.041 64.164 63.100 0.038 0.000 0.817 68 P CB 0.405 32.119 31.700 0.024 0.000 0.785 69 K N -0.386 120.040 120.400 0.043 0.000 2.209 69 K HA -0.026 4.295 4.320 0.000 0.000 0.204 69 K C 1.927 178.578 176.600 0.084 0.000 1.048 69 K CA 0.918 57.237 56.287 0.054 0.000 0.940 69 K CB -0.376 32.151 32.500 0.045 0.000 0.729 69 K HN 0.227 nan 8.250 nan 0.000 0.451 70 L N 0.356 121.637 121.223 0.096 0.000 2.607 70 L HA 0.066 4.407 4.340 0.000 0.000 0.228 70 L C 2.137 179.156 176.870 0.249 0.000 1.123 70 L CA -0.076 54.870 54.840 0.177 0.000 0.890 70 L CB 0.067 42.202 42.059 0.127 0.000 1.103 70 L HN -0.010 nan 8.230 nan 0.000 0.468 71 K N 1.284 121.787 120.400 0.171 0.000 1.984 71 K HA -0.167 4.154 4.320 0.000 0.000 0.209 71 K C 1.988 178.708 176.600 0.199 0.000 1.046 71 K CA 1.379 57.778 56.287 0.187 0.000 0.934 71 K CB 0.022 32.593 32.500 0.119 0.000 0.717 71 K HN 0.123 nan 8.250 nan 0.000 0.438 72 K N 0.709 121.184 120.400 0.125 0.000 2.059 72 K HA -0.148 4.172 4.320 0.000 0.000 0.212 72 K C 2.008 178.655 176.600 0.080 0.000 1.050 72 K CA 1.639 57.974 56.287 0.079 0.000 0.927 72 K CB -0.092 32.436 32.500 0.047 0.000 0.714 72 K HN -0.046 nan 8.250 nan 0.000 0.447 73 V N -0.087 119.901 119.914 0.124 0.000 2.324 73 V HA -0.261 3.859 4.120 0.000 0.000 0.250 73 V C 1.947 178.094 176.094 0.090 0.000 1.060 73 V CA 2.129 64.500 62.300 0.119 0.000 1.042 73 V CB -0.606 31.334 31.823 0.194 0.000 0.650 73 V HN 0.541 nan 8.190 nan 0.000 0.450 74 W N 0.740 121.999 121.300 -0.069 0.000 2.407 74 W HA -0.010 4.651 4.660 0.000 0.000 0.305 74 W C 2.514 178.952 176.519 -0.136 0.000 1.196 74 W CA 1.605 58.831 57.345 -0.199 0.000 1.311 74 W CB -0.516 28.790 29.460 -0.256 0.000 1.135 74 W HN 0.179 nan 8.180 nan 0.000 0.514 75 A N 0.574 123.367 122.820 -0.045 0.000 1.903 75 A HA -0.307 4.014 4.320 0.000 0.000 0.219 75 A C 1.702 179.145 177.584 -0.234 0.000 1.191 75 A CA 2.506 54.432 52.037 -0.185 0.000 0.638 75 A CB -1.192 17.790 19.000 -0.030 0.000 0.823 75 A HN 0.333 nan 8.150 nan 0.000 0.451 76 D N -0.601 119.710 120.400 -0.150 0.000 2.149 76 D HA -0.139 4.501 4.640 0.000 0.000 0.198 76 D C 1.982 178.158 176.300 -0.205 0.000 0.990 76 D CA 1.437 55.349 54.000 -0.146 0.000 0.839 76 D CB -0.336 40.412 40.800 -0.087 0.000 0.948 76 D HN 0.545 nan 8.370 nan 0.000 0.460 77 M N -0.412 119.028 119.600 -0.266 0.000 2.288 77 M HA 0.020 4.501 4.480 0.000 0.000 0.266 77 M C 2.035 178.119 176.300 -0.360 0.000 1.072 77 M CA 0.705 55.831 55.300 -0.290 0.000 1.132 77 M CB 0.116 32.537 32.600 -0.299 0.000 1.386 77 M HN -0.016 nan 8.290 nan 0.000 0.432 78 I N -0.250 120.018 120.570 -0.503 0.000 2.617 78 I HA -0.212 3.958 4.170 0.000 0.000 0.256 78 I C 2.626 178.555 176.117 -0.313 0.000 1.167 78 I CA 0.760 61.767 61.300 -0.488 0.000 1.469 78 I CB -0.343 37.238 38.000 -0.699 0.000 1.098 78 I HN 0.229 nan 8.210 nan 0.000 0.436 79 K N 1.305 121.541 120.400 -0.273 0.000 2.062 79 K HA -0.060 4.260 4.320 0.000 0.000 0.205 79 K C 2.028 178.504 176.600 -0.206 0.000 1.051 79 K CA 1.379 57.541 56.287 -0.209 0.000 0.941 79 K CB -0.103 32.289 32.500 -0.180 0.000 0.719 79 K HN 0.250 nan 8.250 nan 0.000 0.440 80 M N 0.854 120.326 119.600 -0.213 0.000 2.530 80 M HA -0.165 4.315 4.480 0.000 0.000 0.261 80 M C 1.892 178.075 176.300 -0.195 0.000 1.067 80 M CA 1.263 56.437 55.300 -0.209 0.000 1.071 80 M CB -0.075 32.414 32.600 -0.185 0.000 1.405 80 M HN 0.144 nan 8.290 nan 0.000 0.478 81 Q N 0.052 119.741 119.800 -0.186 0.000 2.224 81 Q HA -0.055 4.285 4.340 0.000 0.000 0.203 81 Q C 0.694 176.618 176.000 -0.127 0.000 0.970 81 Q CA 0.573 56.288 55.803 -0.147 0.000 0.865 81 Q CB 0.092 28.741 28.738 -0.148 0.000 0.922 81 Q HN 0.455 nan 8.270 nan 0.000 0.445 82 E N 1.358 121.471 120.200 -0.145 0.000 2.404 82 E HA -0.036 4.314 4.350 0.000 0.000 0.261 82 E C -0.689 175.831 176.600 -0.133 0.000 1.074 82 E CA -0.018 56.308 56.400 -0.123 0.000 0.917 82 E CB 0.618 30.242 29.700 -0.127 0.000 0.965 82 E HN 0.095 nan 8.360 nan 0.000 0.433 83 D N 1.267 121.623 120.400 -0.075 0.000 2.360 83 D HA 0.038 4.678 4.640 0.000 0.000 0.242 83 D C -0.462 175.815 176.300 -0.039 0.000 1.184 83 D CA 0.019 54.004 54.000 -0.025 0.000 0.930 83 D CB 0.250 41.075 40.800 0.041 0.000 1.161 83 D HN 0.309 nan 8.370 nan 0.000 0.447 84 W N 1.222 122.509 121.300 -0.021 0.000 2.417 84 W HA -0.001 4.660 4.660 0.000 0.000 0.332 84 W C 0.852 177.370 176.519 -0.001 0.000 1.413 84 W CA 0.038 57.382 57.345 -0.002 0.000 1.299 84 W CB 0.182 29.673 29.460 0.051 0.000 1.304 84 W HN -0.028 nan 8.180 nan 0.000 0.565 85 K N 6.257 126.797 120.400 0.234 0.000 2.453 85 K HA -0.082 4.238 4.320 0.000 0.000 0.280 85 K C -1.432 175.276 176.600 0.180 0.000 1.045 85 K CA -0.651 55.728 56.287 0.154 0.000 1.059 85 K CB 0.261 32.822 32.500 0.103 0.000 0.901 85 K HN 0.199 nan 8.250 nan 0.000 0.475 86 P HA -0.286 nan 4.420 nan 0.000 0.216 86 P C 0.783 178.101 177.300 0.030 0.000 1.157 86 P CA 1.503 64.640 63.100 0.061 0.000 0.880 86 P CB 0.172 31.889 31.700 0.028 0.000 0.791 87 A N -0.925 121.914 122.820 0.033 0.000 2.168 87 A HA -0.127 4.194 4.320 0.000 0.000 0.215 87 A C 1.525 179.116 177.584 0.011 0.000 1.152 87 A CA 1.456 53.498 52.037 0.007 0.000 0.716 87 A CB -0.914 18.090 19.000 0.008 0.000 0.794 87 A HN 0.104 nan 8.150 nan 0.000 0.465 88 D N -0.527 119.917 120.400 0.073 0.000 2.350 88 D HA 0.149 4.790 4.640 0.000 0.000 0.213 88 D C 0.352 176.607 176.300 -0.075 0.000 1.031 88 D CA 0.022 54.085 54.000 0.104 0.000 0.861 88 D CB 0.004 40.979 40.800 0.292 0.000 0.926 88 D HN 0.426 nan 8.370 nan 0.000 0.520 89 I N 3.283 123.741 120.570 -0.186 0.000 2.668 89 I HA -0.056 4.114 4.170 0.000 0.000 0.285 89 I C -0.721 175.121 176.117 -0.459 0.000 1.168 89 I CA -0.994 59.999 61.300 -0.513 0.000 1.424 89 I CB 0.952 38.722 38.000 -0.384 0.000 1.377 89 I HN -0.127 nan 8.210 nan 0.000 0.560 90 P HA -0.200 nan 4.420 nan 0.000 0.216 90 P C 0.831 177.922 177.300 -0.348 0.000 1.153 90 P CA 1.185 64.039 63.100 -0.410 0.000 0.848 90 P CB 0.268 31.702 31.700 -0.443 0.000 0.787 91 E N -2.560 117.380 120.200 -0.433 0.000 4.514 91 E HA -0.121 4.230 4.350 0.000 0.000 0.249 91 E C -0.414 176.015 176.600 -0.286 0.000 0.749 91 E CA 0.682 56.890 56.400 -0.320 0.000 2.189 91 E CB -1.363 28.210 29.700 -0.212 0.000 1.732 91 E HN 0.101 nan 8.360 nan 0.000 0.540 92 V N 2.731 122.480 119.914 -0.276 0.000 2.304 92 V HA 0.227 4.348 4.120 0.000 0.000 0.269 92 V C 0.132 176.049 176.094 -0.294 0.000 1.036 92 V CA 0.025 62.197 62.300 -0.215 0.000 0.840 92 V CB 1.099 32.838 31.823 -0.140 0.000 1.036 92 V HN 0.047 nan 8.190 nan 0.000 0.466 93 K N 3.908 124.124 120.400 -0.307 0.000 2.206 93 K HA 0.268 4.588 4.320 0.000 0.000 0.268 93 K C -0.204 176.385 176.600 -0.018 0.000 1.111 93 K CA -0.300 55.754 56.287 -0.387 0.000 0.955 93 K CB 0.287 32.492 32.500 -0.493 0.000 1.406 93 K HN 0.591 nan 8.250 nan 0.000 0.427 94 D N 0.526 120.899 120.400 -0.045 0.000 2.414 94 D HA 0.003 4.643 4.640 0.000 0.000 0.251 94 D C 0.976 177.368 176.300 0.153 0.000 1.252 94 D CA -0.410 53.601 54.000 0.018 0.000 0.999 94 D CB 0.514 41.221 40.800 -0.156 0.000 1.093 94 D HN 0.333 nan 8.370 nan 0.000 0.515 95 F N 0.033 120.001 119.950 0.031 0.000 2.234 95 F HA 0.082 4.609 4.527 0.000 0.000 0.299 95 F C 1.934 177.638 175.800 -0.160 0.000 1.087 95 F CA 0.735 58.655 58.000 -0.132 0.000 1.340 95 F CB -0.289 38.470 39.000 -0.403 0.000 1.031 95 F HN 0.128 nan 8.300 nan 0.000 0.500 96 R N -0.248 119.571 120.500 -1.136 0.000 2.127 96 R HA -0.157 4.183 4.340 0.000 0.000 0.238 96 R C 2.107 178.312 176.300 -0.158 0.000 1.134 96 R CA 1.864 57.540 56.100 -0.707 0.000 0.975 96 R CB -0.859 29.053 30.300 -0.648 0.000 0.865 96 R HN 0.478 nan 8.270 nan 0.000 0.447 97 F N 0.149 119.944 119.950 -0.259 0.000 2.146 97 F HA -0.169 4.359 4.527 0.000 0.000 0.298 97 F C 1.459 177.172 175.800 -0.144 0.000 1.096 97 F CA 1.259 59.117 58.000 -0.237 0.000 1.275 97 F CB -0.143 38.565 39.000 -0.488 0.000 1.008 97 F HN -0.089 nan 8.300 nan 0.000 0.480 98 Y N -1.321 119.000 120.300 0.036 0.000 2.243 98 Y HA -0.120 4.430 4.550 0.000 0.000 0.293 98 Y C 2.227 178.213 175.900 0.142 0.000 1.124 98 Y CA 1.007 59.124 58.100 0.029 0.000 1.159 98 Y CB -0.858 37.706 38.460 0.173 0.000 1.008 98 Y HN -0.017 nan 8.280 nan 0.000 0.527 99 F N 0.295 120.238 119.950 -0.012 0.000 2.202 99 F HA -0.187 4.340 4.527 0.000 0.000 0.301 99 F C 1.349 177.177 175.800 0.047 0.000 1.082 99 F CA 0.711 58.642 58.000 -0.116 0.000 1.313 99 F CB -1.019 37.907 39.000 -0.125 0.000 1.024 99 F HN 0.027 nan 8.300 nan 0.000 0.495 100 N N 1.524 120.334 118.700 0.184 0.000 2.971 100 N HA -0.064 4.676 4.740 0.000 0.000 0.294 100 N C -0.147 175.350 175.510 -0.022 0.000 1.210 100 N CA 0.123 53.218 53.050 0.076 0.000 1.157 100 N CB -0.544 38.004 38.487 0.102 0.000 1.450 100 N HN 0.316 nan 8.380 nan 0.000 0.527 101 Q N 2.033 121.834 119.800 0.002 0.000 2.313 101 Q HA 0.163 4.503 4.340 0.000 0.000 0.266 101 Q C -0.743 175.184 176.000 -0.122 0.000 0.989 101 Q CA 0.256 56.047 55.803 -0.020 0.000 0.890 101 Q CB 0.567 29.332 28.738 0.045 0.000 1.200 101 Q HN 0.333 nan 8.270 nan 0.000 0.396 102 K N 1.894 122.213 120.400 -0.135 0.000 2.512 102 K HA 0.673 4.993 4.320 0.000 0.000 0.263 102 K C -0.376 176.178 176.600 -0.076 0.000 0.966 102 K CA -0.364 55.796 56.287 -0.211 0.000 0.851 102 K CB 1.936 34.126 32.500 -0.516 0.000 1.395 102 K HN 0.904 nan 8.250 nan 0.000 0.440 103 G N 0.862 109.612 108.800 -0.083 0.000 2.512 103 G HA2 -0.294 3.666 3.960 0.000 0.000 0.240 103 G HA3 -0.294 3.666 3.960 0.000 0.000 0.240 103 G C 0.393 175.299 174.900 0.009 0.000 1.246 103 G CA 0.125 45.215 45.100 -0.018 0.000 0.919 103 G HN 0.508 nan 8.290 nan 0.000 0.577 104 L N 1.389 122.640 121.223 0.047 0.000 2.051 104 L HA -0.052 4.288 4.340 0.000 0.000 0.214 104 L C 3.364 180.273 176.870 0.066 0.000 1.076 104 L CA 4.103 58.977 54.840 0.056 0.000 0.758 104 L CB -1.155 40.952 42.059 0.080 0.000 0.890 104 L HN 1.268 nan 8.230 nan 0.000 0.433 105 T N -4.762 109.855 114.554 0.105 0.000 2.867 105 T HA -0.115 4.236 4.350 0.000 0.000 0.268 105 T C 1.880 176.608 174.700 0.046 0.000 1.057 105 T CA 1.254 63.422 62.100 0.112 0.000 1.136 105 T CB -1.002 67.992 68.868 0.210 0.000 0.874 105 T HN 0.160 nan 8.240 nan 0.000 0.466 106 V N 1.841 121.765 119.914 0.016 0.000 2.295 106 V HA -0.143 3.977 4.120 0.000 0.000 0.246 106 V C 3.009 179.082 176.094 -0.035 0.000 1.049 106 V CA 1.832 64.113 62.300 -0.033 0.000 1.024 106 V CB -0.698 31.082 31.823 -0.073 0.000 0.648 106 V HN 0.423 nan 8.190 nan 0.000 0.447 107 R N 0.223 120.707 120.500 -0.026 0.000 2.096 107 R HA -0.187 4.154 4.340 0.000 0.000 0.240 107 R C 2.306 178.614 176.300 0.013 0.000 1.139 107 R CA 2.044 58.134 56.100 -0.017 0.000 0.952 107 R CB -0.751 29.544 30.300 -0.009 0.000 0.854 107 R HN 0.630 nan 8.270 nan 0.000 0.436 108 V N -1.321 118.607 119.914 0.023 0.000 2.548 108 V HA -0.130 3.991 4.120 0.000 0.000 0.249 108 V C 1.648 177.771 176.094 0.048 0.000 1.055 108 V CA 1.517 63.840 62.300 0.039 0.000 1.065 108 V CB -0.406 31.440 31.823 0.038 0.000 0.681 108 V HN 0.235 nan 8.190 nan 0.000 0.462 109 E N 0.869 121.079 120.200 0.018 0.000 2.051 109 E HA -0.138 4.212 4.350 0.000 0.000 0.192 109 E C 2.201 178.870 176.600 0.115 0.000 0.991 109 E CA 1.877 58.281 56.400 0.007 0.000 0.799 109 E CB -0.320 29.343 29.700 -0.062 0.000 0.748 109 E HN 0.605 nan 8.360 nan 0.000 0.449 110 L N 0.146 121.416 121.223 0.077 0.000 2.217 110 L HA -0.125 4.216 4.340 0.000 0.000 0.211 110 L C 2.446 179.413 176.870 0.161 0.000 1.107 110 L CA 0.628 55.538 54.840 0.117 0.000 0.783 110 L CB -0.210 41.871 42.059 0.036 0.000 0.919 110 L HN 0.205 nan 8.230 nan 0.000 0.442 111 M N -0.585 119.095 119.600 0.133 0.000 2.077 111 M HA -0.162 4.318 4.480 0.000 0.000 0.261 111 M C 2.621 179.054 176.300 0.221 0.000 1.070 111 M CA 1.888 57.275 55.300 0.144 0.000 1.125 111 M CB -0.483 32.173 32.600 0.094 0.000 1.339 111 M HN 0.299 nan 8.290 nan 0.000 0.409 112 A N 0.467 123.443 122.820 0.261 0.000 1.917 112 A HA -0.214 4.106 4.320 0.000 0.000 0.219 112 A C 2.113 180.032 177.584 0.558 0.000 1.182 112 A CA 1.739 54.035 52.037 0.432 0.000 0.633 112 A CB -0.997 18.263 19.000 0.433 0.000 0.819 112 A HN 0.465 nan 8.150 nan 0.000 0.448 113 L N 0.770 122.313 121.223 0.533 0.000 2.012 113 L HA -0.203 4.138 4.340 0.000 0.000 0.210 113 L C 2.084 179.033 176.870 0.132 0.000 1.073 113 L CA 2.545 57.556 54.840 0.285 0.000 0.748 113 L CB -0.854 41.375 42.059 0.283 0.000 0.891 113 L HN 0.568 nan 8.230 nan 0.000 0.431 114 N N -1.595 117.209 118.700 0.174 0.000 2.205 114 N HA -0.293 4.448 4.740 0.000 0.000 0.186 114 N C 2.042 177.630 175.510 0.129 0.000 1.015 114 N CA 1.445 54.569 53.050 0.123 0.000 0.862 114 N CB -0.189 38.386 38.487 0.146 0.000 0.986 114 N HN 0.541 nan 8.380 nan 0.000 0.429 115 Y N 1.908 122.246 120.300 0.063 0.000 2.200 115 Y HA -0.064 4.486 4.550 0.000 0.000 0.290 115 Y C 2.227 178.130 175.900 0.005 0.000 1.137 115 Y CA 1.180 59.306 58.100 0.045 0.000 1.163 115 Y CB -0.452 38.054 38.460 0.076 0.000 0.988 115 Y HN 0.016 nan 8.280 nan 0.000 0.518 116 L N -0.682 120.458 121.223 -0.140 0.000 2.079 116 L HA -0.288 4.052 4.340 0.000 0.000 0.210 116 L C 2.399 179.128 176.870 -0.236 0.000 1.081 116 L CA 1.796 56.469 54.840 -0.279 0.000 0.752 116 L CB -0.657 41.207 42.059 -0.324 0.000 0.896 116 L HN 0.291 nan 8.230 nan 0.000 0.433 117 M N -0.875 118.636 119.600 -0.150 0.000 2.349 117 M HA -0.064 4.416 4.480 0.000 0.000 0.266 117 M C 1.979 178.212 176.300 -0.111 0.000 1.076 117 M CA 1.774 57.002 55.300 -0.120 0.000 1.126 117 M CB -0.215 32.331 32.600 -0.090 0.000 1.392 117 M HN 0.425 nan 8.290 nan 0.000 0.440 118 T N -4.592 109.897 114.554 -0.108 0.000 2.959 118 T HA 0.272 4.622 4.350 0.000 0.000 0.254 118 T C 0.852 175.486 174.700 -0.110 0.000 1.003 118 T CA -0.136 61.919 62.100 -0.076 0.000 0.950 118 T CB 0.318 69.181 68.868 -0.009 0.000 1.090 118 T HN 0.153 nan 8.240 nan 0.000 0.503 119 K N 0.996 121.237 120.400 -0.266 0.000 3.407 119 K HA -0.151 4.169 4.320 0.000 0.000 0.312 119 K C -0.394 176.172 176.600 -0.056 0.000 1.302 119 K CA 1.022 57.093 56.287 -0.359 0.000 0.931 119 K CB -1.588 30.797 32.500 -0.190 0.000 1.257 119 K HN 0.570 nan 8.250 nan 0.000 0.454 120 D N 0.074 120.544 120.400 0.117 0.000 2.344 120 D HA 0.098 4.738 4.640 0.000 0.000 0.253 120 D C -1.444 175.046 176.300 0.317 0.000 1.255 120 D CA -2.303 51.816 54.000 0.199 0.000 0.894 120 D CB 0.983 41.864 40.800 0.134 0.000 1.067 120 D HN -0.106 nan 8.370 nan 0.000 0.492 121 P HA -0.239 nan 4.420 nan 0.000 0.220 121 P C 1.073 178.380 177.300 0.011 0.000 1.155 121 P CA 1.700 64.871 63.100 0.118 0.000 0.880 121 P CB 0.331 32.071 31.700 0.066 0.000 0.790 122 K N -0.861 119.560 120.400 0.035 0.000 2.025 122 K HA -0.074 4.246 4.320 0.000 0.000 0.207 122 K C 1.965 178.562 176.600 -0.004 0.000 1.049 122 K CA 1.024 57.314 56.287 0.005 0.000 0.933 122 K CB -1.152 31.360 32.500 0.019 0.000 0.714 122 K HN -0.070 nan 8.250 nan 0.000 0.438 123 V N 0.287 120.231 119.914 0.051 0.000 2.392 123 V HA -0.227 3.894 4.120 0.000 0.000 0.249 123 V C 2.179 178.259 176.094 -0.023 0.000 1.059 123 V CA 2.224 64.565 62.300 0.069 0.000 1.051 123 V CB -0.998 30.925 31.823 0.165 0.000 0.658 123 V HN 0.526 nan 8.190 nan 0.000 0.455 124 G N -0.580 108.075 108.800 -0.241 0.000 2.403 124 G HA2 -0.157 3.804 3.960 0.000 0.000 0.216 124 G HA3 -0.157 3.804 3.960 0.000 0.000 0.216 124 G C 1.711 176.384 174.900 -0.378 0.000 1.154 124 G CA 0.130 44.803 45.100 -0.711 0.000 0.784 124 G HN 0.298 nan 8.290 nan 0.000 0.538 125 R N 0.420 120.771 120.500 -0.248 0.000 2.148 125 R HA 0.046 4.386 4.340 0.000 0.000 0.223 125 R C 2.208 178.455 176.300 -0.088 0.000 1.088 125 R CA 0.797 56.805 56.100 -0.152 0.000 0.985 125 R CB -0.462 29.774 30.300 -0.107 0.000 0.880 125 R HN 0.548 nan 8.270 nan 0.000 0.451 126 E N 0.399 120.560 120.200 -0.065 0.000 2.072 126 E HA -0.104 4.246 4.350 0.000 0.000 0.191 126 E C 1.823 178.413 176.600 -0.016 0.000 0.985 126 E CA 0.959 57.342 56.400 -0.027 0.000 0.801 126 E CB 0.068 29.763 29.700 -0.008 0.000 0.750 126 E HN 0.250 nan 8.360 nan 0.000 0.452 127 A N 1.198 124.006 122.820 -0.020 0.000 1.883 127 A HA -0.210 4.110 4.320 0.000 0.000 0.217 127 A C 2.130 179.727 177.584 0.022 0.000 1.186 127 A CA 1.451 53.493 52.037 0.009 0.000 0.624 127 A CB -0.676 18.334 19.000 0.018 0.000 0.822 127 A HN 0.298 nan 8.150 nan 0.000 0.444 128 I N 0.058 120.624 120.570 -0.008 0.000 2.179 128 I HA -0.226 3.945 4.170 0.000 0.000 0.242 128 I C 2.703 178.864 176.117 0.073 0.000 1.088 128 I CA 1.886 63.215 61.300 0.048 0.000 1.357 128 I CB -0.575 37.405 38.000 -0.034 0.000 1.051 128 I HN 0.523 nan 8.210 nan 0.000 0.409 129 T N -3.038 111.525 114.554 0.015 0.000 3.055 129 T HA 0.004 4.354 4.350 0.000 0.000 0.265 129 T C 1.866 176.566 174.700 -0.001 0.000 1.111 129 T CA 0.837 62.938 62.100 0.001 0.000 1.118 129 T CB -0.096 68.764 68.868 -0.014 0.000 0.909 129 T HN 0.101 nan 8.240 nan 0.000 0.501 130 S N 0.740 116.445 115.700 0.009 0.000 2.428 130 S HA 0.160 4.631 4.470 0.000 0.000 0.230 130 S C 1.646 176.254 174.600 0.013 0.000 1.014 130 S CA 0.465 58.672 58.200 0.012 0.000 0.957 130 S CB -0.223 62.987 63.200 0.018 0.000 0.784 130 S HN 0.446 nan 8.310 nan 0.000 0.499 131 I N 0.334 120.912 120.570 0.014 0.000 3.790 131 I HA 0.313 4.484 4.170 0.000 0.000 0.305 131 I C 1.489 177.540 176.117 -0.110 0.000 1.253 131 I CA 0.110 61.403 61.300 -0.011 0.000 1.355 131 I CB -0.090 37.926 38.000 0.026 0.000 1.137 131 I HN 0.194 nan 8.210 nan 0.000 0.435 132 I N 0.327 120.813 120.570 -0.141 0.000 2.252 132 I HA -0.283 3.887 4.170 0.000 0.000 0.245 132 I C 1.855 177.801 176.117 -0.285 0.000 1.102 132 I CA 1.638 62.721 61.300 -0.362 0.000 1.385 132 I CB -0.214 37.614 38.000 -0.287 0.000 1.064 132 I HN 0.201 nan 8.210 nan 0.000 0.414 133 D N 0.014 120.326 120.400 -0.147 0.000 2.092 133 D HA -0.237 4.403 4.640 0.000 0.000 0.193 133 D C 2.040 178.300 176.300 -0.066 0.000 0.994 133 D CA 2.090 56.031 54.000 -0.100 0.000 0.828 133 D CB -0.497 40.270 40.800 -0.056 0.000 0.963 133 D HN 0.319 nan 8.370 nan 0.000 0.450 134 T N 0.388 114.933 114.554 -0.015 0.000 2.915 134 T HA -0.110 4.240 4.350 0.000 0.000 0.269 134 T C 1.959 176.776 174.700 0.196 0.000 1.071 134 T CA 0.357 62.508 62.100 0.086 0.000 1.132 134 T CB -0.229 68.730 68.868 0.151 0.000 0.878 134 T HN -0.039 nan 8.240 nan 0.000 0.479 135 L N 1.679 122.911 121.223 0.016 0.000 2.093 135 L HA 0.006 4.346 4.340 0.000 0.000 0.208 135 L C 2.368 179.208 176.870 -0.050 0.000 1.085 135 L CA 2.108 56.895 54.840 -0.089 0.000 0.755 135 L CB -0.442 41.313 42.059 -0.506 0.000 0.904 135 L HN 0.511 nan 8.230 nan 0.000 0.435 136 E N -3.125 116.992 120.200 -0.138 0.000 2.435 136 E HA -0.058 4.292 4.350 0.000 0.000 0.195 136 E C 1.220 177.800 176.600 -0.033 0.000 1.029 136 E CA 1.071 57.402 56.400 -0.115 0.000 0.865 136 E CB -0.141 29.460 29.700 -0.166 0.000 0.833 136 E HN 0.360 nan 8.360 nan 0.000 0.510 137 T N 0.626 115.181 114.554 0.001 0.000 3.018 137 T HA 0.282 4.633 4.350 0.000 0.000 0.246 137 T C 0.848 175.538 174.700 -0.016 0.000 1.026 137 T CA 0.222 62.316 62.100 -0.012 0.000 1.081 137 T CB 0.331 69.182 68.868 -0.028 0.000 0.970 137 T HN 0.342 nan 8.240 nan 0.000 0.475 138 A N 2.074 124.901 122.820 0.012 0.000 2.608 138 A HA 0.279 4.599 4.320 0.000 0.000 0.239 138 A C 0.556 178.036 177.584 -0.173 0.000 1.018 138 A CA 0.706 52.640 52.037 -0.173 0.000 0.766 138 A CB -0.207 18.636 19.000 -0.262 0.000 0.928 138 A HN 0.243 nan 8.150 nan 0.000 0.512 139 T N 1.812 116.142 114.554 -0.374 0.000 2.888 139 T HA 0.666 5.016 4.350 0.000 0.000 0.284 139 T C -1.070 173.313 174.700 -0.528 0.000 1.017 139 T CA -0.123 61.828 62.100 -0.248 0.000 1.022 139 T CB 0.120 68.888 68.868 -0.168 0.000 1.013 139 T HN 0.373 nan 8.240 nan 0.000 0.465 140 F N 2.872 122.775 119.950 -0.078 0.000 2.716 140 F HA 0.412 4.939 4.527 0.000 0.000 0.354 140 F C 0.447 176.220 175.800 -0.043 0.000 1.168 140 F CA -1.012 56.943 58.000 -0.076 0.000 1.045 140 F CB 1.365 40.287 39.000 -0.130 0.000 1.311 140 F HN 0.278 nan 8.300 nan 0.000 0.477 141 K N 4.809 125.256 120.400 0.078 0.000 2.451 141 K HA 0.118 4.439 4.320 0.000 0.000 0.280 141 K C -2.125 174.516 176.600 0.068 0.000 1.020 141 K CA -1.297 55.016 56.287 0.042 0.000 1.008 141 K CB 0.376 32.870 32.500 -0.011 0.000 0.917 141 K HN 0.227 nan 8.250 nan 0.000 0.478 142 P HA -0.026 nan 4.420 nan 0.000 0.261 142 P C -1.210 176.110 177.300 0.034 0.000 1.183 142 P CA 0.185 63.308 63.100 0.038 0.000 0.761 142 P CB 0.897 32.612 31.700 0.024 0.000 0.785 143 A N 2.836 125.682 122.820 0.044 0.000 2.586 143 A HA 0.645 4.965 4.320 0.000 0.000 0.290 143 A C 0.066 177.683 177.584 0.056 0.000 1.086 143 A CA -0.362 51.702 52.037 0.045 0.000 0.665 143 A CB 0.601 19.632 19.000 0.052 0.000 1.279 143 A HN 0.528 nan 8.150 nan 0.000 0.423 144 G N 1.108 109.950 108.800 0.070 0.000 2.101 144 G HA2 0.356 4.316 3.960 0.000 0.000 0.262 144 G HA3 0.356 4.316 3.960 0.000 0.000 0.262 144 G C -0.121 174.852 174.900 0.121 0.000 1.041 144 G CA 1.180 46.339 45.100 0.099 0.000 1.002 144 G HN 0.946 nan 8.290 nan 0.000 0.403 145 D N 0.871 121.261 120.400 -0.016 0.000 2.751 145 D HA -0.219 4.421 4.640 0.000 0.000 0.233 145 D C 1.432 177.685 176.300 -0.079 0.000 1.149 145 D CA 0.846 54.757 54.000 -0.149 0.000 0.682 145 D CB -0.794 39.826 40.800 -0.300 0.000 1.068 145 D HN 0.470 nan 8.370 nan 0.000 0.429 146 I N 0.410 120.962 120.570 -0.031 0.000 2.423 146 I HA -0.238 3.933 4.170 0.000 0.000 0.254 146 I C 2.038 178.055 176.117 -0.166 0.000 1.151 146 I CA 1.681 62.957 61.300 -0.040 0.000 1.421 146 I CB -0.161 37.841 38.000 0.002 0.000 1.079 146 I HN 0.038 nan 8.210 nan 0.000 0.431 147 S N 0.446 116.054 115.700 -0.153 0.000 2.407 147 S HA -0.253 4.217 4.470 0.000 0.000 0.235 147 S C 2.017 176.533 174.600 -0.141 0.000 1.036 147 S CA 1.407 59.516 58.200 -0.152 0.000 1.013 147 S CB -0.406 62.738 63.200 -0.092 0.000 0.820 147 S HN 0.528 nan 8.310 nan 0.000 0.476 148 R N 0.499 120.914 120.500 -0.142 0.000 2.083 148 R HA -0.072 4.268 4.340 0.000 0.000 0.237 148 R C 2.721 178.964 176.300 -0.094 0.000 1.137 148 R CA 1.319 57.341 56.100 -0.130 0.000 0.951 148 R CB -0.936 29.112 30.300 -0.419 0.000 0.851 148 R HN 0.476 nan 8.270 nan 0.000 0.434 149 G N 1.564 110.237 108.800 -0.212 0.000 2.511 149 G HA2 -0.268 3.693 3.960 0.000 0.000 0.216 149 G HA3 -0.268 3.693 3.960 0.000 0.000 0.216 149 G C 1.458 176.058 174.900 -0.501 0.000 1.218 149 G CA 1.058 45.897 45.100 -0.435 0.000 0.788 149 G HN 0.166 nan 8.290 nan 0.000 0.560 150 I N 1.537 121.643 120.570 -0.773 0.000 2.145 150 I HA -0.180 3.991 4.170 0.000 0.000 0.244 150 I C 3.082 179.045 176.117 -0.256 0.000 1.075 150 I CA 1.308 62.105 61.300 -0.838 0.000 1.332 150 I CB -0.570 36.983 38.000 -0.744 0.000 1.033 150 I HN 0.263 nan 8.210 nan 0.000 0.410 151 G N 0.790 109.501 108.800 -0.148 0.000 2.440 151 G HA2 -0.262 3.698 3.960 0.000 0.000 0.218 151 G HA3 -0.262 3.698 3.960 0.000 0.000 0.218 151 G C 1.643 176.567 174.900 0.040 0.000 1.154 151 G CA 0.792 45.885 45.100 -0.012 0.000 0.767 151 G HN 0.306 nan 8.290 nan 0.000 0.552 152 L N -0.628 120.616 121.223 0.036 0.000 2.141 152 L HA 0.196 4.537 4.340 0.000 0.000 0.209 152 L C 2.339 179.318 176.870 0.183 0.000 1.094 152 L CA 1.251 56.136 54.840 0.075 0.000 0.763 152 L CB -0.576 41.512 42.059 0.047 0.000 0.908 152 L HN 0.163 nan 8.230 nan 0.000 0.437 153 F N -0.097 119.867 119.950 0.023 0.000 2.134 153 F HA -0.222 4.305 4.527 0.000 0.000 0.299 153 F C 2.231 178.111 175.800 0.133 0.000 1.097 153 F CA 1.854 59.915 58.000 0.101 0.000 1.264 153 F CB -0.308 38.776 39.000 0.140 0.000 1.001 153 F HN 0.104 nan 8.300 nan 0.000 0.479 154 M N -1.021 118.679 119.600 0.168 0.000 2.086 154 M HA -0.225 4.256 4.480 0.000 0.000 0.261 154 M C 2.099 178.501 176.300 0.170 0.000 1.067 154 M CA 1.629 57.042 55.300 0.187 0.000 1.116 154 M CB -0.710 31.990 32.600 0.166 0.000 1.348 154 M HN -0.027 nan 8.290 nan 0.000 0.407 155 V N 0.294 120.283 119.914 0.125 0.000 2.231 155 V HA -0.344 3.776 4.120 0.000 0.000 0.250 155 V C 2.333 178.487 176.094 0.100 0.000 1.058 155 V CA 2.577 64.964 62.300 0.144 0.000 1.022 155 V CB -1.363 30.573 31.823 0.187 0.000 0.640 155 V HN 0.527 nan 8.190 nan 0.000 0.445 156 T N 0.301 114.892 114.554 0.062 0.000 2.649 156 T HA -0.253 4.098 4.350 0.000 0.000 0.268 156 T C 1.821 176.527 174.700 0.010 0.000 1.036 156 T CA 1.945 64.046 62.100 0.001 0.000 1.157 156 T CB -0.881 67.984 68.868 -0.005 0.000 0.861 156 T HN 0.680 nan 8.240 nan 0.000 0.445 157 G N 0.917 109.751 108.800 0.055 0.000 2.421 157 G HA2 -0.021 3.939 3.960 0.000 0.000 0.216 157 G HA3 -0.021 3.939 3.960 0.000 0.000 0.216 157 G C 1.873 177.048 174.900 0.457 0.000 1.171 157 G CA 0.936 46.201 45.100 0.274 0.000 0.775 157 G HN 0.614 nan 8.290 nan 0.000 0.543 158 A N 0.620 123.637 122.820 0.328 0.000 1.940 158 A HA -0.019 4.302 4.320 0.000 0.000 0.219 158 A C 2.391 179.949 177.584 -0.044 0.000 1.176 158 A CA 1.451 53.522 52.037 0.056 0.000 0.631 158 A CB -0.361 18.547 19.000 -0.153 0.000 0.814 158 A HN 0.403 nan 8.150 nan 0.000 0.446 159 I N -0.739 119.734 120.570 -0.162 0.000 2.113 159 I HA -0.226 3.944 4.170 0.000 0.000 0.238 159 I C 2.397 178.302 176.117 -0.352 0.000 1.070 159 I CA 1.367 62.331 61.300 -0.561 0.000 1.332 159 I CB -0.487 37.120 38.000 -0.655 0.000 1.044 159 I HN 0.156 nan 8.210 nan 0.000 0.402 160 V N 0.052 119.906 119.914 -0.101 0.000 2.287 160 V HA -0.363 3.757 4.120 0.000 0.000 0.248 160 V C 2.291 178.383 176.094 -0.004 0.000 1.053 160 V CA 2.203 64.510 62.300 0.012 0.000 1.027 160 V CB -0.869 30.995 31.823 0.069 0.000 0.646 160 V HN 0.400 nan 8.190 nan 0.000 0.447 161 Y N 1.060 121.264 120.300 -0.160 0.000 2.114 161 Y HA -0.341 4.210 4.550 0.000 0.000 0.282 161 Y C 2.455 178.340 175.900 -0.026 0.000 1.165 161 Y CA 2.469 60.417 58.100 -0.253 0.000 1.148 161 Y CB -0.145 38.204 38.460 -0.185 0.000 0.972 161 Y HN 0.470 nan 8.280 nan 0.000 0.504 162 D N -1.549 119.031 120.400 0.300 0.000 2.162 162 D HA -0.175 4.465 4.640 0.000 0.000 0.205 162 D C 1.614 178.205 176.300 0.486 0.000 0.964 162 D CA 1.196 55.445 54.000 0.415 0.000 0.847 162 D CB -0.399 40.631 40.800 0.383 0.000 0.988 162 D HN 0.308 nan 8.370 nan 0.000 0.480 163 W N 0.187 121.583 121.300 0.160 0.000 2.465 163 W HA 0.102 4.762 4.660 0.000 0.000 0.268 163 W C 1.255 177.908 176.519 0.224 0.000 1.242 163 W CA 0.030 57.485 57.345 0.182 0.000 1.248 163 W CB -0.704 28.859 29.460 0.172 0.000 1.118 163 W HN 0.149 nan 8.180 nan 0.000 0.587 164 C N -1.331 118.152 119.300 0.305 0.000 2.849 164 C HA 0.186 4.646 4.460 0.000 0.000 0.271 164 C C 1.873 176.828 174.990 -0.059 0.000 1.519 164 C CA -1.087 57.996 59.018 0.109 0.000 1.783 164 C CB -2.055 25.612 27.740 -0.122 0.000 2.869 164 C HN 0.267 nan 8.230 nan 0.000 0.527 165 Y N 3.654 123.857 120.300 -0.162 0.000 2.151 165 Y HA -0.257 4.294 4.550 0.000 0.000 0.284 165 Y C 1.991 177.729 175.900 -0.270 0.000 1.166 165 Y CA 2.560 60.415 58.100 -0.410 0.000 1.163 165 Y CB 0.044 38.029 38.460 -0.791 0.000 0.974 165 Y HN 0.508 nan 8.280 nan 0.000 0.511 166 D N -1.397 118.974 120.400 -0.048 0.000 2.363 166 D HA -0.092 4.549 4.640 0.000 0.000 0.226 166 D C 1.168 177.395 176.300 -0.123 0.000 1.020 166 D CA 0.512 54.478 54.000 -0.056 0.000 0.892 166 D CB -0.339 40.529 40.800 0.113 0.000 0.900 166 D HN 0.381 nan 8.370 nan 0.000 0.531 167 Q N -0.107 119.573 119.800 -0.200 0.000 2.247 167 Q HA 0.262 4.603 4.340 0.000 0.000 0.211 167 Q C 0.518 176.364 176.000 -0.257 0.000 0.861 167 Q CA -0.169 55.505 55.803 -0.214 0.000 0.949 167 Q CB 1.151 29.716 28.738 -0.289 0.000 1.115 167 Q HN 0.384 nan 8.270 nan 0.000 0.507 168 L N 1.785 122.782 121.223 -0.376 0.000 2.410 168 L HA 0.120 4.461 4.340 0.000 0.000 0.273 168 L C 0.721 177.418 176.870 -0.288 0.000 1.152 168 L CA 0.178 54.783 54.840 -0.393 0.000 0.855 168 L CB 0.517 42.178 42.059 -0.663 0.000 1.129 168 L HN -0.195 nan 8.230 nan 0.000 0.463 169 K N 3.994 124.286 120.400 -0.180 0.000 2.138 169 K HA 0.159 4.479 4.320 0.000 0.000 0.251 169 K C -1.537 174.997 176.600 -0.109 0.000 1.015 169 K CA -1.461 54.753 56.287 -0.121 0.000 0.917 169 K CB 0.822 33.279 32.500 -0.072 0.000 1.021 169 K HN 0.261 nan 8.250 nan 0.000 0.485 170 P HA -0.145 nan 4.420 nan 0.000 0.214 170 P C 0.347 177.645 177.300 -0.004 0.000 1.162 170 P CA 1.356 64.434 63.100 -0.036 0.000 0.879 170 P CB 0.211 31.901 31.700 -0.017 0.000 0.786 171 E N 0.108 120.305 120.200 -0.004 0.000 2.171 171 E HA -0.213 4.137 4.350 0.000 0.000 0.197 171 E C 1.901 178.517 176.600 0.027 0.000 0.997 171 E CA 1.310 57.714 56.400 0.007 0.000 0.810 171 E CB -0.846 28.851 29.700 -0.004 0.000 0.738 171 E HN 0.461 nan 8.360 nan 0.000 0.467 172 E N 0.504 120.722 120.200 0.030 0.000 2.107 172 E HA -0.121 4.229 4.350 0.000 0.000 0.191 172 E C 1.833 178.567 176.600 0.225 0.000 0.982 172 E CA 0.902 57.363 56.400 0.102 0.000 0.809 172 E CB 0.001 29.745 29.700 0.073 0.000 0.756 172 E HN 0.190 nan 8.360 nan 0.000 0.459 173 K N 0.127 120.604 120.400 0.128 0.000 2.026 173 K HA -0.095 4.225 4.320 0.000 0.000 0.208 173 K C 2.270 179.034 176.600 0.273 0.000 1.048 173 K CA 1.676 58.114 56.287 0.251 0.000 0.929 173 K CB -0.201 32.390 32.500 0.150 0.000 0.713 173 K HN 0.035 nan 8.250 nan 0.000 0.439 174 T N 1.019 115.659 114.554 0.143 0.000 2.720 174 T HA -0.145 4.206 4.350 0.000 0.000 0.268 174 T C 1.830 176.561 174.700 0.052 0.000 1.037 174 T CA 1.263 63.413 62.100 0.083 0.000 1.144 174 T CB -0.152 68.742 68.868 0.044 0.000 0.864 174 T HN 0.228 nan 8.240 nan 0.000 0.444 175 R N -0.324 120.208 120.500 0.053 0.000 2.096 175 R HA 0.005 4.346 4.340 0.000 0.000 0.235 175 R C 2.190 178.434 176.300 -0.093 0.000 1.127 175 R CA 1.294 57.372 56.100 -0.036 0.000 0.968 175 R CB -0.396 29.862 30.300 -0.070 0.000 0.861 175 R HN 0.363 nan 8.270 nan 0.000 0.440 176 F N -0.215 119.700 119.950 -0.059 0.000 2.163 176 F HA -0.168 4.359 4.527 0.000 0.000 0.297 176 F C 2.350 178.033 175.800 -0.195 0.000 1.094 176 F CA 0.977 58.880 58.000 -0.163 0.000 1.290 176 F CB -0.218 38.902 39.000 0.201 0.000 1.017 176 F HN -0.223 nan 8.300 nan 0.000 0.483 177 V N 0.245 120.273 119.914 0.191 0.000 2.332 177 V HA -0.330 3.791 4.120 0.000 0.000 0.248 177 V C 2.128 178.146 176.094 -0.127 0.000 1.055 177 V CA 1.965 64.294 62.300 0.048 0.000 1.038 177 V CB -0.488 31.288 31.823 -0.079 0.000 0.651 177 V HN 0.286 nan 8.190 nan 0.000 0.450 178 K N -0.277 120.042 120.400 -0.136 0.000 2.167 178 K HA 0.031 4.351 4.320 0.000 0.000 0.203 178 K C 2.278 178.790 176.600 -0.147 0.000 1.052 178 K CA 1.118 57.310 56.287 -0.157 0.000 0.956 178 K CB -0.295 32.135 32.500 -0.116 0.000 0.735 178 K HN 0.464 nan 8.250 nan 0.000 0.451 179 A N 1.100 123.793 122.820 -0.211 0.000 1.877 179 A HA -0.129 4.191 4.320 0.000 0.000 0.216 179 A C 1.958 179.426 177.584 -0.193 0.000 1.186 179 A CA 1.221 53.103 52.037 -0.259 0.000 0.620 179 A CB -0.801 17.917 19.000 -0.470 0.000 0.822 179 A HN 0.207 nan 8.150 nan 0.000 0.443 180 F N -0.230 119.663 119.950 -0.095 0.000 2.134 180 F HA -0.174 4.353 4.527 0.000 0.000 0.299 180 F C 2.420 178.110 175.800 -0.183 0.000 1.097 180 F CA 1.190 59.123 58.000 -0.111 0.000 1.264 180 F CB -0.275 38.660 39.000 -0.108 0.000 1.001 180 F HN 0.037 nan 8.300 nan 0.000 0.479 181 V N 0.149 120.031 119.914 -0.054 0.000 2.407 181 V HA -0.288 3.833 4.120 0.000 0.000 0.248 181 V C 2.379 178.403 176.094 -0.117 0.000 1.055 181 V CA 1.863 64.044 62.300 -0.198 0.000 1.049 181 V CB -0.660 31.052 31.823 -0.185 0.000 0.662 181 V HN 0.277 nan 8.190 nan 0.000 0.455 182 R N -0.269 120.197 120.500 -0.055 0.000 2.075 182 R HA -0.086 4.254 4.340 0.000 0.000 0.232 182 R C 2.280 178.586 176.300 0.011 0.000 1.126 182 R CA 1.408 57.501 56.100 -0.012 0.000 0.963 182 R CB -0.206 30.088 30.300 -0.010 0.000 0.858 182 R HN 0.437 nan 8.270 nan 0.000 0.435 183 L N 0.198 121.434 121.223 0.023 0.000 2.056 183 L HA -0.087 4.253 4.340 0.000 0.000 0.207 183 L C 2.699 179.567 176.870 -0.003 0.000 1.078 183 L CA 1.197 56.062 54.840 0.043 0.000 0.749 183 L CB -0.504 41.623 42.059 0.112 0.000 0.901 183 L HN 0.285 nan 8.230 nan 0.000 0.433 184 A N 0.206 122.996 122.820 -0.050 0.000 1.917 184 A HA -0.264 4.056 4.320 0.000 0.000 0.219 184 A C 2.247 179.847 177.584 0.026 0.000 1.182 184 A CA 1.890 53.874 52.037 -0.089 0.000 0.633 184 A CB -0.432 18.303 19.000 -0.442 0.000 0.819 184 A HN 0.313 nan 8.150 nan 0.000 0.448 185 K N -1.062 119.360 120.400 0.037 0.000 2.442 185 K HA 0.049 4.370 4.320 0.000 0.000 0.198 185 K C 1.563 178.208 176.600 0.076 0.000 1.042 185 K CA 1.112 57.467 56.287 0.113 0.000 0.958 185 K CB -0.164 32.399 32.500 0.105 0.000 0.766 185 K HN 0.595 nan 8.250 nan 0.000 0.474 186 M N 0.144 119.766 119.600 0.037 0.000 2.492 186 M HA 0.100 4.581 4.480 0.000 0.000 0.255 186 M C 0.121 176.417 176.300 -0.007 0.000 1.139 186 M CA 0.098 55.404 55.300 0.011 0.000 1.096 186 M CB 0.283 32.870 32.600 -0.021 0.000 1.360 186 M HN -0.029 nan 8.290 nan 0.000 0.480 187 L N 1.244 122.471 121.223 0.008 0.000 2.483 187 L HA -0.037 4.304 4.340 0.000 0.000 0.276 187 L C 1.719 178.613 176.870 0.040 0.000 1.213 187 L CA 0.143 54.991 54.840 0.014 0.000 0.843 187 L CB 0.298 42.387 42.059 0.050 0.000 1.107 187 L HN 0.288 nan 8.230 nan 0.000 0.487 188 E N 1.328 121.546 120.200 0.030 0.000 2.077 188 E HA -0.213 4.137 4.350 0.000 0.000 0.193 188 E C 2.000 178.643 176.600 0.071 0.000 0.989 188 E CA 1.846 58.272 56.400 0.043 0.000 0.800 188 E CB 0.103 29.824 29.700 0.034 0.000 0.746 188 E HN 0.971 nan 8.360 nan 0.000 0.452 189 C N -0.203 119.151 119.300 0.090 0.000 2.430 189 C HA 0.324 4.784 4.460 0.000 0.000 0.288 189 C C 1.329 176.375 174.990 0.092 0.000 1.448 189 C CA -0.007 59.069 59.018 0.098 0.000 1.784 189 C CB -1.687 26.125 27.740 0.121 0.000 1.776 189 C HN 0.525 nan 8.230 nan 0.000 0.547 190 G N -0.753 108.108 108.800 0.102 0.000 2.746 190 G HA2 -0.013 3.947 3.960 0.000 0.000 0.685 190 G HA3 -0.013 3.947 3.960 0.000 0.000 0.685 190 G C -1.199 173.813 174.900 0.187 0.000 1.350 190 G CA -0.042 45.126 45.100 0.114 0.000 0.837 190 G HN 1.340 nan 8.290 nan 0.000 0.564 191 Y N 1.521 121.854 120.300 0.055 0.000 2.315 191 Y HA 0.583 5.133 4.550 0.000 0.000 0.324 191 Y C -2.025 173.914 175.900 0.066 0.000 1.062 191 Y CA -1.726 56.414 58.100 0.067 0.000 1.159 191 Y CB 1.816 40.325 38.460 0.082 0.000 1.145 191 Y HN 0.688 nan 8.280 nan 0.000 0.442 192 P HA 0.208 nan 4.420 nan 0.000 0.269 192 P C -2.777 174.438 177.300 -0.141 0.000 1.215 192 P CA -1.533 61.257 63.100 -0.517 0.000 0.780 192 P CB 0.267 31.755 31.700 -0.354 0.000 0.898 193 P HA 0.018 nan 4.420 nan 0.000 0.237 193 P C 0.451 177.773 177.300 0.037 0.000 1.788 193 P CA -0.044 63.088 63.100 0.053 0.000 1.061 193 P CB -0.376 31.385 31.700 0.102 0.000 1.967 194 V N -1.227 118.698 119.914 0.019 0.000 3.376 194 V HA 0.340 4.460 4.120 0.000 0.000 0.313 194 V C 0.531 176.640 176.094 0.025 0.000 1.393 194 V CA 0.049 62.358 62.300 0.015 0.000 1.125 194 V CB -0.681 31.138 31.823 -0.008 0.000 1.037 194 V HN 0.011 nan 8.190 nan 0.000 0.440 195 K N 0.715 121.140 120.400 0.042 0.000 2.238 195 K HA 0.541 4.861 4.320 0.000 0.000 0.239 195 K C -0.201 176.424 176.600 0.042 0.000 0.987 195 K CA -0.289 56.020 56.287 0.036 0.000 0.857 195 K CB 1.429 33.954 32.500 0.042 0.000 1.154 195 K HN 0.245 nan 8.250 nan 0.000 0.439 196 D N -0.047 120.365 120.400 0.021 0.000 3.496 196 D HA -0.176 4.464 4.640 0.000 0.000 0.238 196 D C -1.206 175.087 176.300 -0.012 0.000 1.707 196 D CA 1.315 55.319 54.000 0.006 0.000 1.150 196 D CB 0.110 40.930 40.800 0.034 0.000 0.759 196 D HN 0.315 nan 8.370 nan 0.000 0.936 197 K N -0.735 119.649 120.400 -0.027 0.000 2.385 197 K HA 0.598 4.918 4.320 0.000 0.000 0.248 197 K C -0.121 176.412 176.600 -0.111 0.000 0.955 197 K CA -0.594 55.651 56.287 -0.071 0.000 0.816 197 K CB 1.832 34.277 32.500 -0.092 0.000 1.250 197 K HN 0.313 nan 8.250 nan 0.000 0.434 198 S N 0.600 116.167 115.700 -0.222 0.000 2.517 198 S HA 0.162 4.632 4.470 0.000 0.000 0.214 198 S C 1.664 176.014 174.600 -0.417 0.000 0.991 198 S CA 0.052 57.913 58.200 -0.566 0.000 0.906 198 S CB 0.052 62.929 63.200 -0.538 0.000 0.789 198 S HN 0.484 nan 8.310 nan 0.000 0.513 199 I N 0.860 121.344 120.570 -0.144 0.000 3.172 199 I HA 0.138 4.309 4.170 0.000 0.000 0.278 199 I C 0.846 177.072 176.117 0.182 0.000 1.174 199 I CA 0.123 61.454 61.300 0.053 0.000 1.445 199 I CB 0.207 38.246 38.000 0.065 0.000 1.175 199 I HN 0.151 nan 8.210 nan 0.000 0.447 200 V N -1.656 118.308 119.914 0.083 0.000 3.165 200 V HA 0.970 5.091 4.120 0.000 0.000 0.307 200 V C 0.345 176.433 176.094 -0.011 0.000 1.281 200 V CA -0.246 62.113 62.300 0.098 0.000 1.056 200 V CB 0.497 32.360 31.823 0.067 0.000 1.178 200 V HN 0.417 nan 8.190 nan 0.000 0.475 201 G N -0.699 108.036 108.800 -0.108 0.000 2.760 201 G HA2 -0.191 3.769 3.960 0.000 0.000 0.246 201 G HA3 -0.191 3.769 3.960 0.000 0.000 0.246 201 G C -0.027 174.793 174.900 -0.133 0.000 1.359 201 G CA 0.776 45.730 45.100 -0.242 0.000 0.861 201 G HN 1.365 nan 8.290 nan 0.000 0.541 202 H N 0.067 119.114 119.070 -0.039 0.000 2.423 202 H HA 0.205 4.761 4.556 0.000 0.000 0.297 202 H C 2.911 178.280 175.328 0.068 0.000 1.075 202 H CA 1.657 57.709 56.048 0.008 0.000 1.342 202 H CB 0.031 29.788 29.762 -0.007 0.000 1.395 202 H HN 0.753 nan 8.280 nan 0.000 0.530 203 A N 0.135 123.066 122.820 0.185 0.000 2.216 203 A HA -0.046 4.275 4.320 0.000 0.000 0.214 203 A C 1.849 179.619 177.584 0.310 0.000 1.160 203 A CA 0.993 53.159 52.037 0.215 0.000 0.725 203 A CB -0.119 18.992 19.000 0.185 0.000 0.784 203 A HN 0.231 nan 8.150 nan 0.000 0.472 204 S N -0.374 115.467 115.700 0.235 0.000 2.597 204 S HA 0.144 4.614 4.470 0.000 0.000 0.224 204 S C 0.713 175.430 174.600 0.195 0.000 0.955 204 S CA -0.080 58.290 58.200 0.282 0.000 0.933 204 S CB -0.012 63.310 63.200 0.204 0.000 0.788 204 S HN 0.723 nan 8.310 nan 0.000 0.488 205 E N -0.490 119.792 120.200 0.136 0.000 3.666 205 E HA 0.186 4.537 4.350 0.000 0.000 0.299 205 E C 0.561 177.126 176.600 -0.059 0.000 0.666 205 E CA -0.658 55.719 56.400 -0.038 0.000 1.878 205 E CB -0.061 29.647 29.700 0.013 0.000 2.004 205 E HN 0.337 nan 8.360 nan 0.000 0.422 206 W N 1.884 123.247 121.300 0.105 0.000 2.388 206 W HA -0.101 4.559 4.660 0.000 0.000 0.294 206 W C 2.544 179.077 176.519 0.023 0.000 1.212 206 W CA 0.951 58.319 57.345 0.038 0.000 1.271 206 W CB -0.440 29.064 29.460 0.073 0.000 1.126 206 W HN 0.405 nan 8.180 nan 0.000 0.535 207 M N -0.545 119.211 119.600 0.261 0.000 2.082 207 M HA -0.199 4.281 4.480 0.000 0.000 0.258 207 M C 1.600 177.968 176.300 0.113 0.000 1.069 207 M CA 2.121 57.520 55.300 0.165 0.000 1.102 207 M CB -1.195 31.486 32.600 0.136 0.000 1.336 207 M HN 0.116 nan 8.290 nan 0.000 0.404 208 I N -0.477 120.147 120.570 0.089 0.000 2.729 208 I HA -0.021 4.150 4.170 0.000 0.000 0.256 208 I C 2.606 178.690 176.117 -0.055 0.000 1.115 208 I CA 0.532 61.840 61.300 0.013 0.000 1.446 208 I CB -0.218 37.763 38.000 -0.031 0.000 1.176 208 I HN 0.226 nan 8.210 nan 0.000 0.446 209 M N 0.195 119.761 119.600 -0.057 0.000 2.296 209 M HA -0.157 4.323 4.480 0.000 0.000 0.265 209 M C 2.356 178.634 176.300 -0.037 0.000 1.064 209 M CA 1.721 56.955 55.300 -0.110 0.000 1.109 209 M CB -0.175 32.423 32.600 -0.005 0.000 1.396 209 M HN 0.207 nan 8.290 nan 0.000 0.430 210 R N -0.148 120.364 120.500 0.020 0.000 2.098 210 R HA -0.018 4.322 4.340 0.000 0.000 0.203 210 R C 1.444 177.791 176.300 0.077 0.000 1.166 210 R CA 0.639 56.756 56.100 0.028 0.000 1.090 210 R CB 0.188 30.388 30.300 -0.168 0.000 0.992 210 R HN 0.102 nan 8.270 nan 0.000 0.477 211 D N 1.245 121.693 120.400 0.080 0.000 2.077 211 D HA -0.158 4.483 4.640 0.000 0.000 0.197 211 D C 1.843 178.174 176.300 0.052 0.000 0.983 211 D CA 0.927 54.976 54.000 0.081 0.000 0.841 211 D CB -0.425 40.430 40.800 0.092 0.000 0.992 211 D HN 0.105 nan 8.370 nan 0.000 0.450 212 L N 0.650 121.901 121.223 0.048 0.000 2.079 212 L HA -0.104 4.236 4.340 0.000 0.000 0.210 212 L C 2.169 179.050 176.870 0.017 0.000 1.081 212 L CA 1.107 55.969 54.840 0.037 0.000 0.752 212 L CB -0.803 41.300 42.059 0.072 0.000 0.896 212 L HN 0.027 nan 8.230 nan 0.000 0.433 213 L N -1.169 120.056 121.223 0.003 0.000 1.994 213 L HA -0.179 4.161 4.340 0.000 0.000 0.208 213 L C 2.542 179.441 176.870 0.049 0.000 1.071 213 L CA 1.998 56.833 54.840 -0.008 0.000 0.745 213 L CB -0.942 41.074 42.059 -0.073 0.000 0.892 213 L HN 0.240 nan 8.230 nan 0.000 0.431 214 S N -1.162 114.584 115.700 0.076 0.000 2.383 214 S HA -0.173 4.298 4.470 0.000 0.000 0.229 214 S C 1.952 176.509 174.600 -0.072 0.000 1.030 214 S CA 1.440 59.677 58.200 0.062 0.000 1.002 214 S CB -0.460 62.870 63.200 0.216 0.000 0.829 214 S HN 0.354 nan 8.310 nan 0.000 0.467 215 V N 1.409 121.241 119.914 -0.137 0.000 2.407 215 V HA -0.048 4.073 4.120 0.000 0.000 0.245 215 V C 2.654 178.598 176.094 -0.249 0.000 1.041 215 V CA 1.731 63.799 62.300 -0.386 0.000 1.040 215 V CB -1.466 30.017 31.823 -0.567 0.000 0.671 215 V HN 0.565 nan 8.190 nan 0.000 0.455 216 G N 0.051 108.827 108.800 -0.040 0.000 2.440 216 G HA2 -0.233 3.727 3.960 0.000 0.000 0.218 216 G HA3 -0.233 3.727 3.960 0.000 0.000 0.218 216 G C 1.596 176.623 174.900 0.211 0.000 1.154 216 G CA 1.054 46.241 45.100 0.146 0.000 0.767 216 G HN 0.465 nan 8.290 nan 0.000 0.552 217 I N 1.276 121.949 120.570 0.172 0.000 2.179 217 I HA -0.209 3.962 4.170 0.000 0.000 0.242 217 I C 3.318 179.435 176.117 0.001 0.000 1.088 217 I CA 1.012 62.337 61.300 0.042 0.000 1.357 217 I CB -0.251 37.770 38.000 0.034 0.000 1.051 217 I HN 0.264 nan 8.210 nan 0.000 0.409 218 A N 1.443 124.246 122.820 -0.030 0.000 1.883 218 A HA -0.183 4.137 4.320 0.000 0.000 0.217 218 A C 2.074 179.700 177.584 0.071 0.000 1.186 218 A CA 1.956 54.005 52.037 0.020 0.000 0.624 218 A CB -0.875 18.051 19.000 -0.124 0.000 0.822 218 A HN 0.631 nan 8.150 nan 0.000 0.444 219 I N -4.600 115.902 120.570 -0.113 0.000 3.855 219 I HA 0.252 4.422 4.170 0.000 0.000 0.327 219 I C 1.613 177.817 176.117 0.146 0.000 1.359 219 I CA -0.085 61.174 61.300 -0.068 0.000 1.142 219 I CB -0.262 37.594 38.000 -0.241 0.000 1.041 219 I HN 0.232 nan 8.210 nan 0.000 0.403 220 Y N 2.621 122.927 120.300 0.011 0.000 2.298 220 Y HA -0.264 4.286 4.550 0.000 0.000 0.287 220 Y C 1.705 177.612 175.900 0.011 0.000 1.164 220 Y CA 1.860 59.939 58.100 -0.036 0.000 1.229 220 Y CB -0.107 38.229 38.460 -0.206 0.000 0.977 220 Y HN 0.355 nan 8.280 nan 0.000 0.538 221 D N -0.641 119.816 120.400 0.095 0.000 2.234 221 D HA -0.072 4.568 4.640 0.000 0.000 0.205 221 D C 1.618 177.957 176.300 0.065 0.000 0.962 221 D CA 1.100 55.132 54.000 0.052 0.000 0.855 221 D CB -0.024 40.861 40.800 0.142 0.000 0.951 221 D HN 0.439 nan 8.370 nan 0.000 0.500 222 E N -0.975 119.320 120.200 0.158 0.000 2.290 222 E HA 0.184 4.534 4.350 0.000 0.000 0.197 222 E C -0.214 176.537 176.600 0.252 0.000 0.948 222 E CA 0.095 56.621 56.400 0.210 0.000 0.895 222 E CB 0.508 30.388 29.700 0.299 0.000 0.865 222 E HN 0.065 nan 8.360 nan 0.000 0.486 223 F N 1.170 121.113 119.950 -0.011 0.000 3.167 223 F HA 0.288 4.815 4.527 0.000 0.000 0.389 223 F C -2.357 173.414 175.800 -0.048 0.000 1.233 223 F CA -2.122 55.873 58.000 -0.008 0.000 1.238 223 F CB 1.687 40.715 39.000 0.048 0.000 1.971 223 F HN -0.127 nan 8.300 nan 0.000 0.651 224 P HA -0.119 nan 4.420 nan 0.000 0.227 224 P C 1.390 178.602 177.300 -0.147 0.000 1.161 224 P CA 0.928 63.796 63.100 -0.386 0.000 0.788 224 P CB 0.219 31.471 31.700 -0.747 0.000 0.822 225 E N 0.228 120.205 120.200 -0.371 0.000 2.114 225 E HA -0.232 4.118 4.350 0.000 0.000 0.199 225 E C 1.966 178.535 176.600 -0.051 0.000 1.008 225 E CA 1.340 57.568 56.400 -0.287 0.000 0.810 225 E CB -0.449 28.921 29.700 -0.550 0.000 0.739 225 E HN 0.124 nan 8.360 nan 0.000 0.456 226 M N -0.316 119.317 119.600 0.054 0.000 2.065 226 M HA -0.237 4.244 4.480 0.000 0.000 0.259 226 M C 2.291 178.730 176.300 0.232 0.000 1.071 226 M CA 2.046 57.523 55.300 0.296 0.000 1.109 226 M CB -0.405 32.405 32.600 0.350 0.000 1.313 226 M HN 0.280 nan 8.290 nan 0.000 0.408 227 Y N 1.291 121.668 120.300 0.127 0.000 2.114 227 Y HA -0.335 4.215 4.550 0.000 0.000 0.282 227 Y C 1.990 177.946 175.900 0.093 0.000 1.165 227 Y CA 2.261 60.431 58.100 0.117 0.000 1.148 227 Y CB -0.491 38.081 38.460 0.186 0.000 0.972 227 Y HN 0.387 nan 8.280 nan 0.000 0.504 228 N N 0.410 119.264 118.700 0.256 0.000 2.205 228 N HA -0.190 4.551 4.740 0.000 0.000 0.186 228 N C 1.778 177.288 175.510 -0.001 0.000 1.015 228 N CA 1.711 54.831 53.050 0.117 0.000 0.862 228 N CB -0.388 38.166 38.487 0.112 0.000 0.986 228 N HN 0.448 nan 8.380 nan 0.000 0.429 229 L N -0.002 121.225 121.223 0.006 0.000 2.084 229 L HA 0.050 4.390 4.340 0.000 0.000 0.202 229 L C 2.404 179.272 176.870 -0.003 0.000 1.074 229 L CA 0.826 55.658 54.840 -0.012 0.000 0.757 229 L CB -0.507 41.526 42.059 -0.043 0.000 0.918 229 L HN 0.051 nan 8.230 nan 0.000 0.444 230 A N 0.265 123.086 122.820 0.002 0.000 1.851 230 A HA -0.209 4.111 4.320 0.000 0.000 0.216 230 A C 2.437 179.985 177.584 -0.059 0.000 1.195 230 A CA 2.044 54.071 52.037 -0.017 0.000 0.622 230 A CB -0.946 18.046 19.000 -0.015 0.000 0.831 230 A HN 0.396 nan 8.150 nan 0.000 0.444 231 A N -0.712 121.975 122.820 -0.221 0.000 2.015 231 A HA 0.217 4.537 4.320 0.000 0.000 0.219 231 A C 2.362 180.021 177.584 0.125 0.000 1.163 231 A CA 1.723 53.694 52.037 -0.111 0.000 0.646 231 A CB -1.369 17.215 19.000 -0.693 0.000 0.806 231 A HN 0.770 nan 8.150 nan 0.000 0.448 232 G N -0.032 108.761 108.800 -0.012 0.000 2.586 232 G HA2 -0.344 3.616 3.960 0.000 0.000 0.218 232 G HA3 -0.344 3.616 3.960 0.000 0.000 0.218 232 G C 1.741 176.710 174.900 0.114 0.000 1.216 232 G CA 1.258 46.385 45.100 0.045 0.000 0.786 232 G HN 0.561 nan 8.290 nan 0.000 0.583 233 R N -0.686 119.877 120.500 0.105 0.000 2.105 233 R HA -0.099 4.241 4.340 0.000 0.000 0.239 233 R C 2.316 178.746 176.300 0.217 0.000 1.135 233 R CA 1.613 57.801 56.100 0.146 0.000 0.967 233 R CB -0.464 29.927 30.300 0.152 0.000 0.861 233 R HN 0.379 nan 8.270 nan 0.000 0.442 234 F N 0.322 120.283 119.950 0.019 0.000 2.046 234 F HA -0.189 4.338 4.527 0.000 0.000 0.297 234 F C 1.565 177.337 175.800 -0.046 0.000 1.123 234 F CA 1.676 59.620 58.000 -0.093 0.000 1.199 234 F CB -0.559 38.293 39.000 -0.247 0.000 0.972 234 F HN -0.054 nan 8.300 nan 0.000 0.474 235 F N 0.886 120.768 119.950 -0.114 0.000 2.234 235 F HA -0.079 4.448 4.527 0.000 0.000 0.299 235 F C 2.513 178.212 175.800 -0.169 0.000 1.087 235 F CA 1.735 59.605 58.000 -0.215 0.000 1.340 235 F CB -0.753 38.236 39.000 -0.019 0.000 1.031 235 F HN 0.002 nan 8.300 nan 0.000 0.500 236 K N 0.194 120.653 120.400 0.098 0.000 2.062 236 K HA -0.109 4.212 4.320 0.000 0.000 0.205 236 K C 1.487 178.067 176.600 -0.033 0.000 1.051 236 K CA 1.660 57.965 56.287 0.031 0.000 0.941 236 K CB 0.074 32.599 32.500 0.041 0.000 0.719 236 K HN 0.286 nan 8.250 nan 0.000 0.440 237 E N -1.057 119.129 120.200 -0.024 0.000 2.329 237 E HA 0.057 4.407 4.350 0.000 0.000 0.189 237 E C 2.031 178.566 176.600 -0.108 0.000 0.997 237 E CA -0.214 56.150 56.400 -0.060 0.000 1.062 237 E CB -0.115 29.574 29.700 -0.018 0.000 1.260 237 E HN 0.278 nan 8.360 nan 0.000 0.490 238 H N 1.146 120.104 119.070 -0.186 0.000 2.357 238 H HA -0.160 4.396 4.556 0.000 0.000 0.296 238 H C 2.363 177.474 175.328 -0.360 0.000 1.108 238 H CA 1.290 57.228 56.048 -0.183 0.000 1.273 238 H CB 0.042 29.769 29.762 -0.059 0.000 1.367 238 H HN 0.119 nan 8.280 nan 0.000 0.498 239 L N 0.312 121.169 121.223 -0.609 0.000 2.005 239 L HA -0.165 4.175 4.340 0.000 0.000 0.207 239 L C 2.651 179.287 176.870 -0.390 0.000 1.072 239 L CA 0.846 55.245 54.840 -0.735 0.000 0.744 239 L CB -0.305 41.122 42.059 -1.054 0.000 0.895 239 L HN 0.067 nan 8.230 nan 0.000 0.433 240 V N 0.370 120.112 119.914 -0.287 0.000 2.282 240 V HA -0.365 3.755 4.120 0.000 0.000 0.249 240 V C 2.746 178.755 176.094 -0.142 0.000 1.057 240 V CA 2.023 64.214 62.300 -0.182 0.000 1.032 240 V CB -1.045 30.687 31.823 -0.152 0.000 0.645 240 V HN 0.588 nan 8.190 nan 0.000 0.447 241 A N -0.612 122.128 122.820 -0.134 0.000 2.015 241 A HA -0.193 4.127 4.320 0.000 0.000 0.219 241 A C 2.348 179.938 177.584 0.009 0.000 1.163 241 A CA 1.712 53.732 52.037 -0.027 0.000 0.646 241 A CB -0.436 18.547 19.000 -0.028 0.000 0.806 241 A HN 0.538 nan 8.150 nan 0.000 0.448 242 R N -0.473 119.890 120.500 -0.229 0.000 2.119 242 R HA -0.002 4.338 4.340 0.000 0.000 0.222 242 R C 1.616 177.281 176.300 -1.059 0.000 1.088 242 R CA 1.053 56.712 56.100 -0.736 0.000 0.984 242 R CB -0.171 29.782 30.300 -0.578 0.000 0.884 242 R HN 0.454 nan 8.270 nan 0.000 0.447 243 N N -0.052 118.331 118.700 -0.528 0.000 2.244 243 N HA -0.189 4.551 4.740 0.000 0.000 0.183 243 N C 1.229 176.658 175.510 -0.134 0.000 1.016 243 N CA 0.846 53.719 53.050 -0.295 0.000 0.866 243 N CB -0.229 38.175 38.487 -0.139 0.000 0.980 243 N HN 0.299 nan 8.380 nan 0.000 0.430 244 W N 1.999 123.135 121.300 -0.274 0.000 2.342 244 W HA -0.197 4.464 4.660 0.000 0.000 0.297 244 W C 1.620 178.078 176.519 -0.101 0.000 1.213 244 W CA 1.406 58.652 57.345 -0.165 0.000 1.251 244 W CB -0.466 28.908 29.460 -0.143 0.000 1.136 244 W HN 0.123 nan 8.180 nan 0.000 0.526 245 F N -3.911 115.945 119.950 -0.157 0.000 2.717 245 F HA 0.222 4.749 4.527 0.001 0.000 0.295 245 F C 1.571 177.362 175.800 -0.015 0.000 1.117 245 F CA -0.371 57.403 58.000 -0.377 0.000 1.361 245 F CB -1.585 37.182 39.000 -0.387 0.000 1.112 245 F HN -0.211 nan 8.300 nan 0.000 0.594 246 Y N 2.325 122.370 120.300 -0.425 0.000 2.151 246 Y HA -0.050 4.501 4.550 0.000 0.000 0.284 246 Y C -0.562 175.332 175.900 -0.009 0.000 1.166 246 Y CA 0.795 58.786 58.100 -0.182 0.000 1.163 246 Y CB -2.356 35.994 38.460 -0.183 0.000 0.974 246 Y HN 0.116 nan 8.280 nan 0.000 0.511 247 P HA -0.096 nan 4.420 nan 0.000 0.226 247 P C 1.291 178.387 177.300 -0.340 0.000 1.146 247 P CA 1.770 64.834 63.100 -0.061 0.000 0.773 247 P CB 0.037 31.679 31.700 -0.096 0.000 0.772 248 S N -2.560 113.010 115.700 -0.218 0.000 2.540 248 S HA 0.065 4.535 4.470 0.000 0.000 0.218 248 S C 0.069 174.519 174.600 -0.250 0.000 0.977 248 S CA -0.262 57.751 58.200 -0.312 0.000 0.918 248 S CB -0.955 62.169 63.200 -0.127 0.000 0.806 248 S HN 0.362 nan 8.310 nan 0.000 0.496 249 H N 0.501 119.546 119.070 -0.042 0.000 2.839 249 H HA -0.123 4.434 4.556 0.000 0.000 0.298 249 H C -0.030 175.175 175.328 -0.205 0.000 1.224 249 H CA 0.282 56.260 56.048 -0.116 0.000 1.144 249 H CB -1.398 28.302 29.762 -0.104 0.000 1.372 249 H HN 0.220 nan 8.280 nan 0.000 0.408 250 N N -0.711 117.888 118.700 -0.168 0.000 2.934 250 N HA 0.431 5.171 4.740 0.000 0.000 0.253 250 N C -1.411 173.832 175.510 -0.445 0.000 1.466 250 N CA -0.573 52.193 53.050 -0.473 0.000 0.858 250 N CB 1.995 39.923 38.487 -0.931 0.000 1.459 250 N HN 0.092 nan 8.380 nan 0.000 0.532 251 Y N -0.001 119.951 120.300 -0.581 0.000 2.570 251 Y HA 0.327 4.877 4.550 0.000 0.000 0.345 251 Y C 1.047 176.672 175.900 -0.457 0.000 1.014 251 Y CA -0.451 57.346 58.100 -0.506 0.000 1.063 251 Y CB 1.233 39.430 38.460 -0.438 0.000 1.272 251 Y HN 0.582 nan 8.280 nan 0.000 0.477 252 H N 0.054 118.882 119.070 -0.404 0.000 2.594 252 H HA 0.227 4.783 4.556 0.000 0.000 0.279 252 H C -0.200 175.128 175.328 -0.001 0.000 1.042 252 H CA -0.056 55.843 56.048 -0.248 0.000 1.177 252 H CB 0.682 29.791 29.762 -1.089 0.000 1.524 252 H HN 0.520 nan 8.280 nan 0.000 0.537 253 Q N 1.486 121.298 119.800 0.020 0.000 2.220 253 Q HA 0.259 4.599 4.340 0.000 0.000 0.205 253 Q C 0.625 176.703 176.000 0.130 0.000 0.865 253 Q CA 0.478 56.379 55.803 0.164 0.000 0.960 253 Q CB 1.138 29.994 28.738 0.197 0.000 1.097 253 Q HN 0.785 nan 8.270 nan 0.000 0.493 254 G N 0.912 109.740 108.800 0.046 0.000 2.746 254 G HA2 -0.212 3.748 3.960 0.000 0.000 0.685 254 G HA3 -0.212 3.748 3.960 0.000 0.000 0.685 254 G C 0.347 175.248 174.900 0.003 0.000 1.350 254 G CA -0.352 44.733 45.100 -0.024 0.000 0.837 254 G HN 0.094 nan 8.290 nan 0.000 0.564 255 M N 0.387 119.986 119.600 -0.001 0.000 2.561 255 M HA 0.147 4.627 4.480 0.000 0.000 0.238 255 M C 2.178 178.560 176.300 0.137 0.000 1.131 255 M CA 1.306 56.648 55.300 0.070 0.000 1.046 255 M CB -0.604 32.043 32.600 0.078 0.000 1.532 255 M HN 0.454 nan 8.290 nan 0.000 0.497 256 S N -0.678 115.022 115.700 0.001 0.000 2.433 256 S HA 0.067 4.538 4.470 0.000 0.000 0.216 256 S C 1.582 176.088 174.600 -0.156 0.000 1.031 256 S CA 0.322 58.447 58.200 -0.124 0.000 0.931 256 S CB -0.242 62.772 63.200 -0.309 0.000 0.875 256 S HN 0.395 nan 8.310 nan 0.000 0.553 257 Y N 2.162 122.403 120.300 -0.097 0.000 2.639 257 Y HA 0.023 4.573 4.550 0.000 0.000 0.297 257 Y C 1.986 177.867 175.900 -0.032 0.000 1.151 257 Y CA -0.031 58.014 58.100 -0.092 0.000 1.335 257 Y CB -0.334 37.980 38.460 -0.243 0.000 0.994 257 Y HN 0.188 nan 8.280 nan 0.000 0.548 258 L N 0.391 121.665 121.223 0.085 0.000 2.129 258 L HA -0.278 4.063 4.340 0.000 0.000 0.212 258 L C 2.043 178.958 176.870 0.076 0.000 1.087 258 L CA 1.697 56.526 54.840 -0.019 0.000 0.757 258 L CB -0.695 41.339 42.059 -0.043 0.000 0.896 258 L HN 0.223 nan 8.230 nan 0.000 0.434 259 N N -0.498 118.319 118.700 0.195 0.000 2.022 259 N HA -0.194 4.546 4.740 0.000 0.000 0.194 259 N C 1.943 177.530 175.510 0.128 0.000 1.057 259 N CA 1.942 55.126 53.050 0.224 0.000 0.849 259 N CB -0.567 38.034 38.487 0.190 0.000 1.044 259 N HN 0.341 nan 8.380 nan 0.000 0.424 260 V N 2.279 122.267 119.914 0.123 0.000 2.392 260 V HA -0.167 3.953 4.120 0.000 0.000 0.249 260 V C 2.418 178.442 176.094 -0.118 0.000 1.059 260 V CA 1.540 63.859 62.300 0.031 0.000 1.051 260 V CB -0.215 31.699 31.823 0.151 0.000 0.658 260 V HN 0.294 nan 8.190 nan 0.000 0.455 261 R N -1.019 119.468 120.500 -0.021 0.000 2.062 261 R HA -0.035 4.305 4.340 0.000 0.000 0.226 261 R C 2.103 178.367 176.300 -0.061 0.000 1.125 261 R CA 1.687 57.771 56.100 -0.027 0.000 0.966 261 R CB -1.147 29.172 30.300 0.032 0.000 0.861 261 R HN 0.605 nan 8.270 nan 0.000 0.433 262 F N 2.205 121.928 119.950 -0.377 0.000 2.259 262 F HA -0.071 4.456 4.527 0.000 0.000 0.298 262 F C 2.002 177.713 175.800 -0.149 0.000 1.088 262 F CA 1.112 58.886 58.000 -0.377 0.000 1.358 262 F CB -0.504 38.191 39.000 -0.509 0.000 1.040 262 F HN -0.077 nan 8.300 nan 0.000 0.505 263 T N 0.756 115.209 114.554 -0.168 0.000 2.699 263 T HA -0.218 4.132 4.350 0.000 0.000 0.268 263 T C 1.833 176.470 174.700 -0.105 0.000 1.036 263 T CA 1.765 63.766 62.100 -0.164 0.000 1.147 263 T CB -0.288 68.541 68.868 -0.064 0.000 0.862 263 T HN 0.297 nan 8.240 nan 0.000 0.446 264 N N 0.798 119.395 118.700 -0.172 0.000 2.354 264 N HA -0.066 4.675 4.740 0.000 0.000 0.179 264 N C 1.410 176.970 175.510 0.082 0.000 1.021 264 N CA 0.842 53.839 53.050 -0.088 0.000 0.887 264 N CB -0.242 38.098 38.487 -0.245 0.000 0.974 264 N HN 0.378 nan 8.380 nan 0.000 0.437 265 D N 1.219 121.670 120.400 0.085 0.000 2.104 265 D HA -0.098 4.542 4.640 0.000 0.000 0.194 265 D C 2.091 178.347 176.300 -0.074 0.000 0.994 265 D CA 0.748 54.818 54.000 0.117 0.000 0.830 265 D CB -0.311 40.594 40.800 0.175 0.000 0.959 265 D HN 0.233 nan 8.370 nan 0.000 0.452 266 L N -0.845 120.241 121.223 -0.228 0.000 2.156 266 L HA -0.033 4.308 4.340 0.000 0.000 0.208 266 L C 2.210 179.049 176.870 -0.051 0.000 1.095 266 L CA 0.311 54.994 54.840 -0.262 0.000 0.770 266 L CB -0.278 41.529 42.059 -0.421 0.000 0.914 266 L HN -0.043 nan 8.230 nan 0.000 0.439 267 F N 0.439 120.372 119.950 -0.030 0.000 2.102 267 F HA -0.271 4.256 4.527 0.000 0.000 0.298 267 F C 2.651 178.482 175.800 0.052 0.000 1.105 267 F CA 1.451 59.475 58.000 0.040 0.000 1.239 267 F CB -0.388 38.608 39.000 -0.007 0.000 0.991 267 F HN 0.026 nan 8.300 nan 0.000 0.474 268 A N -0.031 122.909 122.820 0.199 0.000 1.917 268 A HA -0.241 4.080 4.320 0.000 0.000 0.219 268 A C 2.062 179.720 177.584 0.124 0.000 1.182 268 A CA 1.894 53.950 52.037 0.033 0.000 0.633 268 A CB -1.209 17.729 19.000 -0.104 0.000 0.819 268 A HN 0.411 nan 8.150 nan 0.000 0.448 269 L N -1.495 119.882 121.223 0.256 0.000 1.956 269 L HA -0.176 4.164 4.340 0.000 0.000 0.216 269 L C 2.285 179.012 176.870 -0.239 0.000 1.073 269 L CA 2.375 57.240 54.840 0.041 0.000 0.762 269 L CB -0.854 41.014 42.059 -0.319 0.000 0.889 269 L HN 0.577 nan 8.230 nan 0.000 0.433 270 W N -0.188 120.865 121.300 -0.412 0.000 2.355 270 W HA -0.165 4.495 4.660 0.000 0.000 0.309 270 W C 2.526 178.829 176.519 -0.360 0.000 1.206 270 W CA 1.724 58.683 57.345 -0.643 0.000 1.284 270 W CB -0.294 28.290 29.460 -1.460 0.000 1.145 270 W HN 0.154 nan 8.180 nan 0.000 0.502 271 I N -0.159 120.501 120.570 0.150 0.000 2.091 271 I HA -0.386 3.784 4.170 0.000 0.000 0.239 271 I C 2.228 178.454 176.117 0.181 0.000 1.061 271 I CA 1.570 63.063 61.300 0.323 0.000 1.317 271 I CB -0.894 37.327 38.000 0.367 0.000 1.031 271 I HN -0.030 nan 8.210 nan 0.000 0.401 272 L N -0.032 121.243 121.223 0.087 0.000 2.056 272 L HA -0.241 4.099 4.340 0.000 0.000 0.207 272 L C 2.434 179.346 176.870 0.071 0.000 1.078 272 L CA 1.419 56.306 54.840 0.080 0.000 0.749 272 L CB -0.721 41.388 42.059 0.082 0.000 0.901 272 L HN 0.360 nan 8.230 nan 0.000 0.433 273 D N 0.225 120.642 120.400 0.030 0.000 2.116 273 D HA -0.225 4.415 4.640 0.000 0.000 0.193 273 D C 2.150 178.479 176.300 0.048 0.000 0.998 273 D CA 1.250 55.267 54.000 0.029 0.000 0.836 273 D CB 0.132 40.927 40.800 -0.007 0.000 0.951 273 D HN 0.106 nan 8.370 nan 0.000 0.449 274 R N 0.145 120.697 120.500 0.086 0.000 2.237 274 R HA -0.045 4.295 4.340 0.000 0.000 0.219 274 R C 2.172 178.551 176.300 0.131 0.000 1.080 274 R CA 0.166 56.361 56.100 0.158 0.000 0.995 274 R CB -0.670 29.820 30.300 0.317 0.000 0.875 274 R HN 0.436 nan 8.270 nan 0.000 0.462 275 M N -0.704 118.954 119.600 0.097 0.000 2.319 275 M HA -0.027 4.454 4.480 0.000 0.000 0.265 275 M C 0.371 176.661 176.300 -0.017 0.000 1.068 275 M CA 1.663 56.980 55.300 0.028 0.000 1.118 275 M CB 0.348 32.950 32.600 0.004 0.000 1.395 275 M HN 0.324 nan 8.290 nan 0.000 0.435 276 G N -0.583 108.224 108.800 0.012 0.000 2.145 276 G HA2 -0.095 3.865 3.960 0.000 0.000 0.145 276 G HA3 -0.095 3.865 3.960 0.000 0.000 0.145 276 G C 0.245 175.170 174.900 0.041 0.000 1.017 276 G CA 0.071 45.176 45.100 0.010 0.000 0.682 276 G HN 0.596 nan 8.290 nan 0.000 0.504 277 A N -0.173 122.693 122.820 0.076 0.000 2.503 277 A HA 0.729 5.049 4.320 0.000 0.000 0.263 277 A C 1.995 179.770 177.584 0.319 0.000 1.258 277 A CA 1.392 53.536 52.037 0.179 0.000 0.936 277 A CB -0.201 18.833 19.000 0.057 0.000 1.070 277 A HN 2.469 nan 8.150 nan 0.000 0.522 278 G N 0.677 109.592 108.800 0.191 0.000 2.601 278 G HA2 -0.272 3.688 3.960 0.000 0.000 0.252 278 G HA3 -0.272 3.688 3.960 0.000 0.000 0.252 278 G C -0.154 174.841 174.900 0.159 0.000 1.294 278 G CA -0.003 45.195 45.100 0.163 0.000 0.912 278 G HN 0.887 nan 8.290 nan 0.000 0.574 279 N N 0.453 119.248 118.700 0.159 0.000 2.408 279 N HA 0.351 5.092 4.740 0.000 0.000 0.257 279 N C 1.505 177.101 175.510 0.143 0.000 1.064 279 N CA 0.306 53.435 53.050 0.130 0.000 0.952 279 N CB 1.357 39.950 38.487 0.177 0.000 1.093 279 N HN 1.356 nan 8.380 nan 0.000 0.490 280 V N 1.428 121.397 119.914 0.093 0.000 3.406 280 V HA 0.363 4.483 4.120 0.000 0.000 0.263 280 V C 0.469 176.479 176.094 -0.140 0.000 1.172 280 V CA 0.456 62.770 62.300 0.022 0.000 1.140 280 V CB -1.054 30.760 31.823 -0.016 0.000 0.784 280 V HN 0.265 nan 8.190 nan 0.000 0.467 281 F N 1.576 121.574 119.950 0.080 0.000 2.378 281 F HA 0.405 4.932 4.527 0.000 0.000 0.325 281 F C 0.895 176.781 175.800 0.143 0.000 1.097 281 F CA -0.985 57.072 58.000 0.095 0.000 1.079 281 F CB 0.331 39.472 39.000 0.236 0.000 1.240 281 F HN -0.044 nan 8.300 nan 0.000 0.519 282 N N 3.439 122.363 118.700 0.372 0.000 2.434 282 N HA -0.008 4.733 4.740 0.000 0.000 0.268 282 N C -1.940 173.765 175.510 0.324 0.000 1.256 282 N CA -0.892 52.335 53.050 0.296 0.000 0.914 282 N CB 0.971 39.608 38.487 0.249 0.000 1.088 282 N HN 0.208 nan 8.380 nan 0.000 0.478 283 P HA -0.104 nan 4.420 nan 0.000 0.221 283 P C 1.084 178.353 177.300 -0.051 0.000 1.141 283 P CA 0.916 64.106 63.100 0.152 0.000 0.794 283 P CB -0.056 31.741 31.700 0.162 0.000 0.764 284 G N -0.166 108.685 108.800 0.087 0.000 2.501 284 G HA2 -0.297 3.664 3.960 0.000 0.000 0.220 284 G HA3 -0.297 3.664 3.960 0.000 0.000 0.220 284 G C 1.512 176.317 174.900 -0.159 0.000 1.114 284 G CA 0.250 45.421 45.100 0.117 0.000 0.757 284 G HN 0.322 nan 8.290 nan 0.000 0.559 285 Q N -0.229 119.390 119.800 -0.301 0.000 2.248 285 Q HA -0.254 4.086 4.340 0.000 0.000 0.208 285 Q C 2.423 178.133 176.000 -0.482 0.000 0.984 285 Q CA 1.706 57.164 55.803 -0.576 0.000 0.875 285 Q CB -0.170 28.413 28.738 -0.260 0.000 0.910 285 Q HN 0.749 nan 8.270 nan 0.000 0.433 286 Q N -0.637 118.617 119.800 -0.909 0.000 2.135 286 Q HA -0.174 4.166 4.340 0.000 0.000 0.204 286 Q C 0.811 176.315 176.000 -0.828 0.000 0.981 286 Q CA 1.534 56.607 55.803 -1.217 0.000 0.856 286 Q CB -0.018 27.590 28.738 -1.883 0.000 0.902 286 Q HN 0.485 nan 8.270 nan 0.000 0.425 287 F N -0.635 119.061 119.950 -0.424 0.000 2.727 287 F HA 0.205 4.732 4.527 0.000 0.000 0.302 287 F C 1.508 177.194 175.800 -0.190 0.000 1.097 287 F CA -0.304 57.431 58.000 -0.442 0.000 1.330 287 F CB 0.259 38.587 39.000 -1.120 0.000 1.084 287 F HN 0.037 nan 8.300 nan 0.000 0.578 288 I N -0.165 120.337 120.570 -0.113 0.000 2.179 288 I HA -0.277 3.893 4.170 0.000 0.000 0.242 288 I C 2.174 178.214 176.117 -0.128 0.000 1.088 288 I CA 1.270 62.443 61.300 -0.210 0.000 1.357 288 I CB -0.211 37.412 38.000 -0.630 0.000 1.051 288 I HN 0.149 nan 8.210 nan 0.000 0.409 289 L N -0.464 120.757 121.223 -0.003 0.000 2.610 289 L HA -0.100 4.241 4.340 0.000 0.000 0.232 289 L C 1.801 178.714 176.870 0.072 0.000 1.149 289 L CA 1.190 56.040 54.840 0.016 0.000 0.872 289 L CB -0.662 41.474 42.059 0.128 0.000 0.992 289 L HN 0.128 nan 8.230 nan 0.000 0.447 290 Y N -0.904 119.408 120.300 0.019 0.000 2.352 290 Y HA -0.221 4.329 4.550 0.000 0.000 0.292 290 Y C 2.315 178.296 175.900 0.135 0.000 1.136 290 Y CA 1.504 59.672 58.100 0.112 0.000 1.227 290 Y CB -0.403 38.131 38.460 0.123 0.000 0.991 290 Y HN 0.378 nan 8.280 nan 0.000 0.545 291 D N -0.378 120.110 120.400 0.145 0.000 2.144 291 D HA -0.181 4.460 4.640 0.000 0.000 0.199 291 D C 2.255 178.587 176.300 0.052 0.000 0.984 291 D CA 1.271 55.304 54.000 0.056 0.000 0.834 291 D CB -0.105 40.667 40.800 -0.047 0.000 0.955 291 D HN 0.221 nan 8.370 nan 0.000 0.465 292 A N 0.365 123.151 122.820 -0.056 0.000 1.902 292 A HA -0.131 4.189 4.320 0.000 0.000 0.217 292 A C 2.385 180.017 177.584 0.081 0.000 1.181 292 A CA 1.219 53.191 52.037 -0.108 0.000 0.623 292 A CB -0.813 17.900 19.000 -0.478 0.000 0.818 292 A HN 0.402 nan 8.150 nan 0.000 0.443 293 I N -2.172 118.475 120.570 0.128 0.000 2.286 293 I HA -0.261 3.909 4.170 0.000 0.000 0.248 293 I C 2.202 178.483 176.117 0.272 0.000 1.115 293 I CA 1.475 62.873 61.300 0.162 0.000 1.392 293 I CB -0.479 37.550 38.000 0.048 0.000 1.065 293 I HN 0.369 nan 8.210 nan 0.000 0.418 294 Y N 1.125 121.545 120.300 0.200 0.000 2.516 294 Y HA -0.061 4.490 4.550 0.000 0.000 0.291 294 Y C 2.158 178.093 175.900 0.059 0.000 1.131 294 Y CA 1.043 59.273 58.100 0.216 0.000 1.281 294 Y CB -0.114 38.426 38.460 0.132 0.000 1.013 294 Y HN 0.049 nan 8.280 nan 0.000 0.554 295 K N 0.111 120.612 120.400 0.169 0.000 2.404 295 K HA 0.054 4.374 4.320 0.000 0.000 0.194 295 K C 0.540 177.150 176.600 0.017 0.000 1.023 295 K CA -0.163 56.158 56.287 0.056 0.000 1.094 295 K CB 0.276 32.800 32.500 0.040 0.000 0.841 295 K HN -0.006 nan 8.250 nan 0.000 0.523 296 R N 2.019 122.559 120.500 0.066 0.000 2.351 296 R HA 0.060 4.400 4.340 0.000 0.000 0.318 296 R C -0.553 175.712 176.300 -0.059 0.000 1.055 296 R CA -0.046 56.076 56.100 0.037 0.000 0.968 296 R CB 0.342 30.711 30.300 0.115 0.000 0.974 296 R HN -0.056 nan 8.270 nan 0.000 0.439 297 R N 4.778 125.173 120.500 -0.176 0.000 2.637 297 R HA 0.153 4.494 4.340 0.000 0.000 0.269 297 R C -1.518 174.715 176.300 -0.112 0.000 1.089 297 R CA -1.409 54.488 56.100 -0.339 0.000 1.177 297 R CB 0.355 30.270 30.300 -0.642 0.000 1.091 297 R HN 0.515 nan 8.270 nan 0.000 0.540 298 P HA -0.057 nan 4.420 nan 0.000 0.242 298 P C -0.356 176.977 177.300 0.056 0.000 1.197 298 P CA 0.825 63.956 63.100 0.052 0.000 0.765 298 P CB 0.136 31.892 31.700 0.094 0.000 0.936 299 D N -1.634 118.792 120.400 0.045 0.000 2.340 299 D HA 0.148 4.788 4.640 0.000 0.000 0.217 299 D C 1.396 177.707 176.300 0.017 0.000 1.081 299 D CA 0.124 54.156 54.000 0.053 0.000 0.842 299 D CB -0.613 40.246 40.800 0.098 0.000 0.934 299 D HN 0.176 nan 8.370 nan 0.000 0.511 300 G N -0.308 108.487 108.800 -0.007 0.000 2.195 300 G HA2 -0.259 3.701 3.960 0.000 0.000 0.246 300 G HA3 -0.259 3.701 3.960 0.000 0.000 0.246 300 G C 0.271 175.119 174.900 -0.088 0.000 0.984 300 G CA -0.011 45.063 45.100 -0.043 0.000 0.633 300 G HN 0.375 nan 8.290 nan 0.000 0.525 301 Q N -0.106 119.659 119.800 -0.059 0.000 2.185 301 Q HA 0.716 5.057 4.340 0.000 0.000 0.225 301 Q C 0.410 176.376 176.000 -0.058 0.000 0.983 301 Q CA -0.427 55.345 55.803 -0.052 0.000 0.950 301 Q CB 1.153 29.895 28.738 0.006 0.000 1.176 301 Q HN 0.320 nan 8.270 nan 0.000 0.510 302 I N 1.266 121.828 120.570 -0.013 0.000 2.530 302 I HA 0.232 4.402 4.170 0.000 0.000 0.297 302 I C 0.078 176.210 176.117 0.026 0.000 1.011 302 I CA -1.197 60.118 61.300 0.024 0.000 1.107 302 I CB 1.113 39.179 38.000 0.111 0.000 1.285 302 I HN 0.474 nan 8.210 nan 0.000 0.436 303 L N 4.171 125.393 121.223 -0.002 0.000 2.514 303 L HA 0.243 4.583 4.340 0.000 0.000 0.280 303 L C 0.726 177.632 176.870 0.061 0.000 1.223 303 L CA 0.449 55.296 54.840 0.012 0.000 0.864 303 L CB 0.510 42.560 42.059 -0.016 0.000 1.118 303 L HN 0.806 nan 8.230 nan 0.000 0.494 304 A N 3.002 125.887 122.820 0.109 0.000 2.346 304 A HA 0.713 5.034 4.320 0.000 0.000 0.252 304 A C 0.255 177.871 177.584 0.054 0.000 1.089 304 A CA 0.351 52.486 52.037 0.164 0.000 0.797 304 A CB 0.206 19.395 19.000 0.315 0.000 1.047 304 A HN 1.099 nan 8.150 nan 0.000 0.494 305 G N -1.106 107.710 108.800 0.027 0.000 2.433 305 G HA2 0.649 4.609 3.960 0.000 0.000 0.306 305 G HA3 0.649 4.609 3.960 0.000 0.000 0.306 305 G C 0.140 174.911 174.900 -0.215 0.000 1.627 305 G CA 0.448 45.479 45.100 -0.115 0.000 0.893 305 G HN 2.515 nan 8.290 nan 0.000 0.648 306 G N 1.292 109.784 108.800 -0.513 0.000 2.633 306 G HA2 -0.059 3.901 3.960 0.000 0.000 0.263 306 G HA3 -0.059 3.901 3.960 0.000 0.000 0.263 306 G C -0.222 174.331 174.900 -0.578 0.000 1.310 306 G CA 0.170 44.750 45.100 -0.867 0.000 0.914 306 G HN 1.077 nan 8.290 nan 0.000 0.569 307 D N 1.104 121.403 120.400 -0.168 0.000 2.356 307 D HA 0.380 5.020 4.640 0.000 0.000 0.272 307 D C 0.879 177.192 176.300 0.022 0.000 1.337 307 D CA 1.205 55.284 54.000 0.131 0.000 0.970 307 D CB 0.432 41.180 40.800 -0.087 0.000 1.092 307 D HN 1.222 nan 8.370 nan 0.000 0.516 308 V N -0.160 119.902 119.914 0.247 0.000 3.130 308 V HA 0.638 4.758 4.120 0.000 0.000 0.310 308 V C -0.415 175.595 176.094 -0.139 0.000 1.158 308 V CA -1.014 61.293 62.300 0.012 0.000 1.029 308 V CB 2.953 34.759 31.823 -0.029 0.000 1.057 308 V HN 0.062 nan 8.190 nan 0.000 0.436 309 D N -0.346 119.879 120.400 -0.292 0.000 2.506 309 D HA 0.681 5.321 4.640 0.000 0.000 0.254 309 D C -1.366 174.506 176.300 -0.715 0.000 1.089 309 D CA 0.080 53.754 54.000 -0.543 0.000 1.050 309 D CB 1.867 42.571 40.800 -0.161 0.000 1.221 309 D HN 0.704 nan 8.370 nan 0.000 0.589 310 Y N -0.852 119.492 120.300 0.072 0.000 2.576 310 Y HA 0.577 5.127 4.550 0.000 0.000 0.346 310 Y C 0.153 176.077 175.900 0.039 0.000 1.018 310 Y CA -0.888 57.247 58.100 0.059 0.000 1.050 310 Y CB 2.159 40.664 38.460 0.076 0.000 1.280 310 Y HN 0.175 nan 8.280 nan 0.000 0.474 311 S N 0.286 116.099 115.700 0.189 0.000 2.567 311 S HA 0.544 5.014 4.470 0.000 0.000 0.270 311 S C -0.874 173.776 174.600 0.084 0.000 1.152 311 S CA -0.874 57.386 58.200 0.101 0.000 0.835 311 S CB 1.271 64.499 63.200 0.047 0.000 1.115 311 S HN 0.732 nan 8.310 nan 0.000 0.459 312 R N 1.734 122.271 120.500 0.061 0.000 2.572 312 R HA 0.289 4.629 4.340 0.000 0.000 0.370 312 R C 1.070 177.388 176.300 0.030 0.000 1.005 312 R CA -0.366 55.763 56.100 0.047 0.000 1.146 312 R CB 0.244 30.576 30.300 0.053 0.000 1.390 312 R HN 0.567 nan 8.270 nan 0.000 0.553 313 K N 1.290 121.705 120.400 0.026 0.000 2.168 313 K HA 0.077 4.398 4.320 0.000 0.000 0.201 313 K C 0.326 176.933 176.600 0.010 0.000 1.049 313 K CA 0.675 56.974 56.287 0.020 0.000 0.974 313 K CB 0.574 33.087 32.500 0.022 0.000 0.792 313 K HN -0.153 nan 8.250 nan 0.000 0.463 314 K N 2.161 122.559 120.400 -0.003 0.000 2.483 314 K HA 0.285 4.605 4.320 0.000 0.000 0.256 314 K C -2.736 173.811 176.600 -0.088 0.000 0.961 314 K CA -2.062 54.212 56.287 -0.021 0.000 0.873 314 K CB 1.630 34.125 32.500 -0.008 0.000 1.107 314 K HN -0.195 nan 8.250 nan 0.000 0.432 315 P HA -0.048 nan 4.420 nan 0.000 0.267 315 P C -1.178 175.773 177.300 -0.582 0.000 1.200 315 P CA -0.073 62.835 63.100 -0.319 0.000 0.772 315 P CB 0.551 32.057 31.700 -0.323 0.000 0.855 316 K N 2.335 122.381 120.400 -0.590 0.000 2.143 316 K HA 0.376 4.696 4.320 0.000 0.000 0.272 316 K C -1.102 174.968 176.600 -0.883 0.000 1.001 316 K CA -0.342 55.600 56.287 -0.575 0.000 0.915 316 K CB 0.385 32.668 32.500 -0.363 0.000 1.047 316 K HN 0.365 nan 8.250 nan 0.000 0.458 317 Y N 1.835 121.968 120.300 -0.279 0.000 2.570 317 Y HA 0.305 4.855 4.550 0.001 0.000 0.345 317 Y C -0.898 174.748 175.900 -0.424 0.000 1.014 317 Y CA -0.934 57.024 58.100 -0.237 0.000 1.063 317 Y CB 1.631 40.031 38.460 -0.101 0.000 1.272 317 Y HN 0.453 nan 8.280 nan 0.000 0.477 318 Y N 0.538 120.988 120.300 0.249 0.000 2.635 318 Y HA 0.181 4.731 4.550 0.000 0.000 0.373 318 Y C 1.250 177.272 175.900 0.204 0.000 1.000 318 Y CA -0.547 57.665 58.100 0.187 0.000 1.219 318 Y CB 0.482 39.035 38.460 0.154 0.000 1.294 318 Y HN 0.684 nan 8.280 nan 0.000 0.612 319 T N -0.033 114.687 114.554 0.277 0.000 2.652 319 T HA -0.252 4.098 4.350 0.000 0.000 0.267 319 T C 2.038 176.943 174.700 0.342 0.000 1.039 319 T CA 1.749 64.012 62.100 0.272 0.000 1.153 319 T CB -0.063 68.892 68.868 0.145 0.000 0.863 319 T HN 0.439 nan 8.240 nan 0.000 0.428 320 M N 1.183 120.933 119.600 0.251 0.000 2.132 320 M HA 0.071 4.551 4.480 0.000 0.000 0.263 320 M C -1.268 175.086 176.300 0.091 0.000 1.065 320 M CA 1.121 56.525 55.300 0.173 0.000 1.122 320 M CB -0.985 31.728 32.600 0.188 0.000 1.365 320 M HN 0.064 nan 8.290 nan 0.000 0.411 321 P HA -0.041 nan 4.420 nan 0.000 0.216 321 P C 1.085 178.433 177.300 0.079 0.000 1.153 321 P CA 2.050 65.164 63.100 0.022 0.000 0.848 321 P CB -0.305 31.494 31.700 0.165 0.000 0.787 322 A N -0.811 122.124 122.820 0.192 0.000 1.933 322 A HA -0.163 4.157 4.320 0.000 0.000 0.218 322 A C 2.124 179.769 177.584 0.101 0.000 1.175 322 A CA 1.368 53.526 52.037 0.203 0.000 0.628 322 A CB -1.627 17.556 19.000 0.306 0.000 0.814 322 A HN 0.153 nan 8.150 nan 0.000 0.444 323 L N -0.139 121.090 121.223 0.010 0.000 1.961 323 L HA -0.106 4.234 4.340 0.000 0.000 0.210 323 L C 2.361 179.135 176.870 -0.159 0.000 1.072 323 L CA 1.835 56.459 54.840 -0.362 0.000 0.749 323 L CB -0.560 41.209 42.059 -0.484 0.000 0.889 323 L HN 0.396 nan 8.230 nan 0.000 0.432 324 L N -0.455 120.714 121.223 -0.090 0.000 1.976 324 L HA -0.207 4.133 4.340 0.000 0.000 0.209 324 L C 2.722 179.737 176.870 0.242 0.000 1.071 324 L CA 1.491 56.355 54.840 0.039 0.000 0.746 324 L CB -1.121 40.875 42.059 -0.106 0.000 0.890 324 L HN 0.446 nan 8.230 nan 0.000 0.432 325 A N 0.250 123.112 122.820 0.071 0.000 1.902 325 A HA -0.114 4.207 4.320 0.000 0.000 0.217 325 A C 2.377 180.101 177.584 0.234 0.000 1.181 325 A CA 1.720 53.846 52.037 0.148 0.000 0.623 325 A CB -1.330 17.734 19.000 0.107 0.000 0.818 325 A HN 0.470 nan 8.150 nan 0.000 0.443 326 G N -0.450 108.441 108.800 0.151 0.000 2.514 326 G HA2 -0.233 3.728 3.960 0.000 0.000 0.217 326 G HA3 -0.233 3.728 3.960 0.000 0.000 0.217 326 G C 1.862 176.840 174.900 0.131 0.000 1.198 326 G CA 1.456 46.635 45.100 0.132 0.000 0.780 326 G HN 0.493 nan 8.290 nan 0.000 0.565 327 S N -0.401 115.369 115.700 0.117 0.000 2.368 327 S HA -0.138 4.332 4.470 0.000 0.000 0.225 327 S C 1.961 176.686 174.600 0.209 0.000 1.030 327 S CA 1.318 59.612 58.200 0.157 0.000 0.999 327 S CB -0.443 62.848 63.200 0.151 0.000 0.844 327 S HN 0.508 nan 8.310 nan 0.000 0.459 328 Y N 0.687 121.051 120.300 0.106 0.000 2.163 328 Y HA -0.157 4.393 4.550 0.000 0.000 0.288 328 Y C 1.414 177.057 175.900 -0.428 0.000 1.136 328 Y CA 1.471 59.326 58.100 -0.409 0.000 1.147 328 Y CB -0.155 37.731 38.460 -0.956 0.000 0.987 328 Y HN 0.236 nan 8.280 nan 0.000 0.509 329 Y N 0.865 121.226 120.300 0.101 0.000 2.470 329 Y HA 0.159 4.709 4.550 0.000 0.000 0.284 329 Y C 0.307 176.194 175.900 -0.023 0.000 1.188 329 Y CA -0.478 57.633 58.100 0.018 0.000 1.269 329 Y CB -0.149 38.305 38.460 -0.010 0.000 1.094 329 Y HN -0.104 nan 8.280 nan 0.000 0.518 330 K N 0.977 121.424 120.400 0.077 0.000 3.156 330 K HA -0.255 4.065 4.320 0.000 0.000 0.266 330 K C -0.807 175.847 176.600 0.090 0.000 0.966 330 K CA 0.815 57.135 56.287 0.055 0.000 0.719 330 K CB -1.447 31.063 32.500 0.016 0.000 1.333 330 K HN 0.440 nan 8.250 nan 0.000 0.468 331 D N 1.066 121.538 120.400 0.121 0.000 2.329 331 D HA 0.136 4.776 4.640 0.000 0.000 0.232 331 D C 0.775 177.137 176.300 0.102 0.000 1.088 331 D CA -0.285 53.798 54.000 0.138 0.000 0.835 331 D CB 0.704 41.604 40.800 0.167 0.000 1.078 331 D HN 0.176 nan 8.370 nan 0.000 0.495 332 E N 2.607 122.830 120.200 0.039 0.000 2.274 332 E HA -0.149 4.201 4.350 0.000 0.000 0.194 332 E C 0.930 177.472 176.600 -0.098 0.000 0.996 332 E CA 0.665 57.030 56.400 -0.059 0.000 0.840 332 E CB 0.222 29.815 29.700 -0.179 0.000 0.772 332 E HN 0.646 nan 8.360 nan 0.000 0.491 333 Y N 0.834 121.140 120.300 0.009 0.000 2.220 333 Y HA -0.115 4.436 4.550 0.000 0.000 0.291 333 Y C 2.255 178.108 175.900 -0.077 0.000 1.129 333 Y CA 0.691 58.731 58.100 -0.101 0.000 1.161 333 Y CB -0.010 38.314 38.460 -0.227 0.000 0.997 333 Y HN -0.025 nan 8.280 nan 0.000 0.522 334 L N -0.542 120.731 121.223 0.083 0.000 2.072 334 L HA -0.191 4.149 4.340 0.000 0.000 0.205 334 L C 2.165 179.134 176.870 0.166 0.000 1.079 334 L CA 1.259 56.152 54.840 0.089 0.000 0.752 334 L CB -0.641 41.472 42.059 0.091 0.000 0.906 334 L HN 0.228 nan 8.230 nan 0.000 0.436 335 N N 0.271 119.062 118.700 0.153 0.000 2.069 335 N HA -0.288 4.452 4.740 0.000 0.000 0.191 335 N C 1.881 177.529 175.510 0.230 0.000 1.031 335 N CA 1.549 54.707 53.050 0.180 0.000 0.852 335 N CB -0.383 38.176 38.487 0.119 0.000 1.018 335 N HN 0.325 nan 8.380 nan 0.000 0.423 336 Y N 1.140 121.475 120.300 0.059 0.000 2.114 336 Y HA -0.276 4.275 4.550 0.000 0.000 0.282 336 Y C 2.443 178.378 175.900 0.058 0.000 1.165 336 Y CA 2.402 60.522 58.100 0.034 0.000 1.148 336 Y CB -0.528 37.924 38.460 -0.012 0.000 0.972 336 Y HN 0.183 nan 8.280 nan 0.000 0.504 337 E N 0.114 120.479 120.200 0.275 0.000 2.049 337 E HA -0.320 4.030 4.350 0.000 0.000 0.198 337 E C 2.041 178.717 176.600 0.126 0.000 1.007 337 E CA 2.056 58.581 56.400 0.209 0.000 0.809 337 E CB -0.985 28.852 29.700 0.227 0.000 0.749 337 E HN 0.553 nan 8.360 nan 0.000 0.450 338 F N 0.774 120.739 119.950 0.025 0.000 2.126 338 F HA -0.128 4.399 4.527 0.000 0.000 0.299 338 F C 1.809 177.539 175.800 -0.116 0.000 1.096 338 F CA 1.517 59.504 58.000 -0.023 0.000 1.255 338 F CB -0.246 38.757 39.000 0.004 0.000 0.997 338 F HN 0.056 nan 8.300 nan 0.000 0.479 339 L N 0.283 121.382 121.223 -0.207 0.000 2.349 339 L HA -0.234 4.106 4.340 0.000 0.000 0.220 339 L C 2.326 178.913 176.870 -0.472 0.000 1.130 339 L CA 1.219 55.837 54.840 -0.371 0.000 0.791 339 L CB -0.811 41.127 42.059 -0.202 0.000 0.918 339 L HN 0.213 nan 8.230 nan 0.000 0.444 340 K N -0.015 120.101 120.400 -0.473 0.000 2.074 340 K HA -0.187 4.133 4.320 0.000 0.000 0.209 340 K C 0.389 176.597 176.600 -0.654 0.000 1.048 340 K CA 1.465 57.469 56.287 -0.471 0.000 0.926 340 K CB -0.010 32.321 32.500 -0.281 0.000 0.713 340 K HN 0.124 nan 8.250 nan 0.000 0.444 341 D N -1.055 118.855 120.400 -0.817 0.000 2.472 341 D HA 0.093 4.733 4.640 0.000 0.000 0.248 341 D C -2.567 173.309 176.300 -0.707 0.000 1.271 341 D CA -1.639 51.885 54.000 -0.793 0.000 0.888 341 D CB 1.140 41.214 40.800 -1.211 0.000 1.337 341 D HN -0.133 nan 8.370 nan 0.000 0.526 342 P HA 0.162 nan 4.420 nan 0.000 0.254 342 P C -0.826 176.244 177.300 -0.384 0.000 1.631 342 P CA -0.260 62.275 63.100 -0.942 0.000 0.861 342 P CB -0.183 31.136 31.700 -0.636 0.000 1.663 343 N N 0.485 119.025 118.700 -0.267 0.000 2.558 343 N HA 0.190 4.930 4.740 0.000 0.000 0.242 343 N C -0.332 175.177 175.510 -0.002 0.000 0.979 343 N CA -0.464 52.530 53.050 -0.093 0.000 0.931 343 N CB 2.138 40.567 38.487 -0.096 0.000 1.122 343 N HN -0.088 nan 8.380 nan 0.000 0.508 344 V N 1.399 121.348 119.914 0.057 0.000 2.686 344 V HA 0.112 4.233 4.120 0.000 0.000 0.295 344 V C 0.840 176.962 176.094 0.048 0.000 1.057 344 V CA -0.683 61.669 62.300 0.085 0.000 1.012 344 V CB 1.283 33.167 31.823 0.103 0.000 1.006 344 V HN 0.427 nan 8.190 nan 0.000 0.477 345 E N 4.422 124.659 120.200 0.062 0.000 2.481 345 E HA 0.027 4.377 4.350 0.000 0.000 0.263 345 E C -1.578 175.019 176.600 -0.006 0.000 0.992 345 E CA -1.826 54.618 56.400 0.073 0.000 0.938 345 E CB 0.491 30.293 29.700 0.171 0.000 0.933 345 E HN 0.370 nan 8.360 nan 0.000 0.453 346 P HA -0.184 nan 4.420 nan 0.000 0.216 346 P C 0.946 178.230 177.300 -0.026 0.000 1.153 346 P CA 1.848 64.942 63.100 -0.009 0.000 0.858 346 P CB -0.080 31.618 31.700 -0.003 0.000 0.789 347 H N -2.792 116.221 119.070 -0.094 0.000 2.545 347 H HA 0.020 4.577 4.556 0.000 0.000 0.282 347 H C 0.907 176.209 175.328 -0.043 0.000 1.020 347 H CA 0.951 56.914 56.048 -0.142 0.000 1.243 347 H CB -1.159 28.400 29.762 -0.339 0.000 1.377 347 H HN 0.077 nan 8.280 nan 0.000 0.581 348 C N 0.685 119.741 119.300 -0.407 0.000 2.926 348 C HA 0.192 4.653 4.460 0.000 0.000 0.272 348 C C 2.091 177.080 174.990 -0.003 0.000 1.249 348 C CA -0.515 58.460 59.018 -0.071 0.000 1.691 348 C CB -0.038 27.629 27.740 -0.122 0.000 1.983 348 C HN 0.512 nan 8.230 nan 0.000 0.615 349 K N 1.412 121.770 120.400 -0.071 0.000 2.160 349 K HA -0.156 4.164 4.320 0.000 0.000 0.206 349 K C 1.788 178.334 176.600 -0.091 0.000 1.047 349 K CA 1.057 57.312 56.287 -0.054 0.000 0.930 349 K CB -0.447 32.016 32.500 -0.061 0.000 0.720 349 K HN 0.442 nan 8.250 nan 0.000 0.450 350 L N 0.340 121.430 121.223 -0.222 0.000 2.093 350 L HA -0.079 4.262 4.340 0.000 0.000 0.208 350 L C 1.907 178.467 176.870 -0.517 0.000 1.085 350 L CA 1.487 56.119 54.840 -0.346 0.000 0.755 350 L CB -0.461 41.286 42.059 -0.521 0.000 0.904 350 L HN -0.015 nan 8.230 nan 0.000 0.435 351 F N -0.141 119.549 119.950 -0.434 0.000 2.325 351 F HA -0.073 4.455 4.527 0.000 0.000 0.299 351 F C 2.496 177.911 175.800 -0.642 0.000 1.090 351 F CA 1.157 58.623 58.000 -0.890 0.000 1.392 351 F CB -0.576 37.798 39.000 -1.042 0.000 1.053 351 F HN 0.228 nan 8.300 nan 0.000 0.521 352 E N 0.654 120.748 120.200 -0.176 0.000 2.038 352 E HA -0.292 4.058 4.350 0.000 0.000 0.195 352 E C 2.176 178.706 176.600 -0.117 0.000 1.000 352 E CA 1.588 57.910 56.400 -0.129 0.000 0.803 352 E CB -0.421 29.274 29.700 -0.008 0.000 0.750 352 E HN 0.362 nan 8.360 nan 0.000 0.448 353 F N 1.109 120.949 119.950 -0.184 0.000 2.154 353 F HA -0.178 4.349 4.527 0.000 0.000 0.301 353 F C 1.838 177.545 175.800 -0.154 0.000 1.087 353 F CA 1.479 59.403 58.000 -0.127 0.000 1.274 353 F CB -0.014 38.943 39.000 -0.072 0.000 1.009 353 F HN 0.040 nan 8.300 nan 0.000 0.485 354 L N -1.943 119.097 121.223 -0.305 0.000 2.307 354 L HA -0.091 4.249 4.340 0.000 0.000 0.211 354 L C 1.500 178.289 176.870 -0.135 0.000 1.099 354 L CA 0.319 54.965 54.840 -0.323 0.000 0.816 354 L CB -0.407 41.443 42.059 -0.349 0.000 0.952 354 L HN 0.240 nan 8.230 nan 0.000 0.455 355 W N -0.633 120.450 121.300 -0.361 0.000 2.873 355 W HA 0.269 4.929 4.660 0.000 0.000 0.282 355 W C 1.180 177.428 176.519 -0.453 0.000 1.118 355 W CA -0.868 56.109 57.345 -0.614 0.000 1.480 355 W CB -0.280 28.312 29.460 -1.447 0.000 0.954 355 W HN -0.078 nan 8.180 nan 0.000 0.591 356 R N 2.781 123.179 120.500 -0.169 0.000 2.538 356 R HA -0.020 4.320 4.340 0.000 0.000 0.282 356 R C -0.297 175.948 176.300 -0.091 0.000 1.009 356 R CA 0.479 56.478 56.100 -0.169 0.000 1.063 356 R CB 0.238 30.422 30.300 -0.193 0.000 0.945 356 R HN -0.292 nan 8.270 nan 0.000 0.414 357 D N 3.199 123.565 120.400 -0.057 0.000 2.411 357 D HA 0.017 4.657 4.640 0.000 0.000 0.225 357 D C 0.794 177.077 176.300 -0.028 0.000 1.156 357 D CA -0.131 53.855 54.000 -0.023 0.000 0.874 357 D CB 1.343 42.149 40.800 0.011 0.000 1.034 357 D HN 0.670 nan 8.370 nan 0.000 0.502 358 T N 0.673 115.211 114.554 -0.026 0.000 3.088 358 T HA -0.087 4.263 4.350 0.000 0.000 0.259 358 T C 1.478 176.178 174.700 0.001 0.000 1.122 358 T CA 0.502 62.599 62.100 -0.005 0.000 1.095 358 T CB 0.227 69.089 68.868 -0.010 0.000 0.930 358 T HN 0.229 nan 8.240 nan 0.000 0.508 359 Q N 0.103 119.899 119.800 -0.007 0.000 2.212 359 Q HA 0.286 4.627 4.340 0.000 0.000 0.199 359 Q C 0.677 176.678 176.000 0.001 0.000 0.950 359 Q CA 0.018 55.817 55.803 -0.005 0.000 0.863 359 Q CB -0.375 28.356 28.738 -0.012 0.000 0.944 359 Q HN 0.554 nan 8.270 nan 0.000 0.465 360 L N 0.963 122.189 121.223 0.004 0.000 2.525 360 L HA 0.249 4.589 4.340 0.000 0.000 0.278 360 L C 0.536 177.417 176.870 0.017 0.000 1.218 360 L CA 0.665 55.511 54.840 0.011 0.000 0.878 360 L CB 0.422 42.491 42.059 0.017 0.000 1.127 360 L HN 0.181 nan 8.230 nan 0.000 0.492 361 G N 3.085 111.891 108.800 0.009 0.000 2.535 361 G HA2 0.582 4.543 3.960 0.000 0.000 0.282 361 G HA3 0.582 4.543 3.960 0.000 0.000 0.282 361 G C -0.934 173.976 174.900 0.018 0.000 1.350 361 G CA 0.077 45.182 45.100 0.008 0.000 1.039 361 G HN 1.057 nan 8.290 nan 0.000 0.509 362 S N -1.611 114.101 115.700 0.021 0.000 2.541 362 S HA 0.758 5.228 4.470 0.000 0.000 0.271 362 S C -0.910 173.680 174.600 -0.017 0.000 1.133 362 S CA -1.037 57.201 58.200 0.063 0.000 0.876 362 S CB 2.332 65.652 63.200 0.200 0.000 1.105 362 S HN 0.781 nan 8.310 nan 0.000 0.470 363 R N 1.265 121.649 120.500 -0.193 0.000 2.686 363 R HA 0.507 4.848 4.340 0.000 0.000 0.283 363 R C -0.784 175.041 176.300 -0.792 0.000 0.978 363 R CA -1.140 54.704 56.100 -0.427 0.000 0.897 363 R CB 1.999 31.916 30.300 -0.638 0.000 1.192 363 R HN 0.790 nan 8.270 nan 0.000 0.457 364 K N 2.079 121.953 120.400 -0.877 0.000 2.276 364 K HA 0.149 4.469 4.320 0.000 0.000 0.259 364 K C -1.880 174.402 176.600 -0.531 0.000 1.001 364 K CA -1.295 54.378 56.287 -1.023 0.000 0.927 364 K CB 0.522 32.687 32.500 -0.557 0.000 0.969 364 K HN 0.292 nan 8.250 nan 0.000 0.490 365 P HA -0.001 nan 4.420 nan 0.000 0.249 365 P C -0.400 176.184 177.300 -1.193 0.000 1.229 365 P CA 0.351 62.966 63.100 -0.809 0.000 0.788 365 P CB 0.210 31.263 31.700 -1.078 0.000 1.072 366 D N 1.361 121.333 120.400 -0.715 0.000 2.265 366 D HA -0.152 4.488 4.640 0.000 0.000 0.208 366 D C 1.123 177.240 176.300 -0.306 0.000 0.977 366 D CA 1.367 55.066 54.000 -0.501 0.000 0.871 366 D CB -0.440 40.275 40.800 -0.142 0.000 0.925 366 D HN 0.404 nan 8.370 nan 0.000 0.485 367 D N -0.490 119.763 120.400 -0.245 0.000 2.402 367 D HA 0.013 4.654 4.640 0.000 0.000 0.216 367 D C 0.476 176.763 176.300 -0.022 0.000 1.128 367 D CA -0.300 53.672 54.000 -0.047 0.000 0.833 367 D CB -0.385 40.426 40.800 0.018 0.000 0.971 367 D HN 0.120 nan 8.370 nan 0.000 0.503 368 L N 0.381 121.508 121.223 -0.161 0.000 2.439 368 L HA 0.360 4.701 4.340 0.000 0.000 0.261 368 L C -1.977 175.045 176.870 0.253 0.000 1.153 368 L CA -1.942 52.880 54.840 -0.029 0.000 0.808 368 L CB 0.550 42.480 42.059 -0.215 0.000 1.126 368 L HN -0.228 nan 8.230 nan 0.000 0.460 369 P HA 0.015 nan 4.420 nan 0.000 0.267 369 P C 0.401 177.886 177.300 0.308 0.000 1.200 369 P CA -0.013 63.227 63.100 0.234 0.000 0.772 369 P CB 0.476 32.278 31.700 0.170 0.000 0.855 370 L N -0.137 121.161 121.223 0.127 0.000 2.478 370 L HA 0.051 4.392 4.340 0.000 0.000 0.223 370 L C 0.635 177.470 176.870 -0.058 0.000 1.140 370 L CA 1.073 55.921 54.840 0.013 0.000 0.842 370 L CB -0.148 41.875 42.059 -0.059 0.000 0.953 370 L HN 0.312 nan 8.230 nan 0.000 0.452 371 S N -0.571 114.994 115.700 -0.224 0.000 2.538 371 S HA 0.558 5.028 4.470 0.000 0.000 0.288 371 S C -0.694 173.566 174.600 -0.567 0.000 1.108 371 S CA -0.618 57.288 58.200 -0.491 0.000 0.971 371 S CB 2.745 65.380 63.200 -0.942 0.000 1.041 371 S HN 0.132 nan 8.310 nan 0.000 0.483 372 R N 1.684 121.912 120.500 -0.453 0.000 2.599 372 R HA 0.503 4.844 4.340 0.000 0.000 0.295 372 R C -1.978 174.290 176.300 -0.054 0.000 0.963 372 R CA -0.625 55.263 56.100 -0.352 0.000 0.883 372 R CB 1.152 31.008 30.300 -0.741 0.000 1.171 372 R HN 0.670 nan 8.270 nan 0.000 0.450 373 Y N 1.812 122.114 120.300 0.003 0.000 2.352 373 Y HA 0.431 4.981 4.550 0.000 0.000 0.339 373 Y C -1.225 174.670 175.900 -0.009 0.000 0.992 373 Y CA -0.569 57.567 58.100 0.060 0.000 1.100 373 Y CB 2.049 40.617 38.460 0.179 0.000 1.192 373 Y HN 0.489 nan 8.280 nan 0.000 0.458 374 S N 5.100 120.377 115.700 -0.706 0.000 2.520 374 S HA 0.505 4.976 4.470 0.000 0.000 0.324 374 S C 0.459 174.454 174.600 -1.008 0.000 1.069 374 S CA -0.424 57.358 58.200 -0.696 0.000 1.121 374 S CB 0.688 63.647 63.200 -0.403 0.000 0.971 374 S HN 1.076 nan 8.310 nan 0.000 0.463 375 G N 2.139 110.376 108.800 -0.939 0.000 2.468 375 G HA2 0.278 4.238 3.960 0.000 0.000 0.264 375 G HA3 0.278 4.238 3.960 0.000 0.000 0.264 375 G C -0.035 174.676 174.900 -0.314 0.000 1.460 375 G CA -0.651 44.121 45.100 -0.546 0.000 1.060 375 G HN 0.619 nan 8.290 nan 0.000 0.543 376 S N 1.494 117.056 115.700 -0.230 0.000 2.558 376 S HA 0.182 4.652 4.470 0.000 0.000 0.291 376 S C -1.680 172.558 174.600 -0.603 0.000 1.306 376 S CA -0.174 57.834 58.200 -0.319 0.000 1.056 376 S CB 1.223 64.292 63.200 -0.218 0.000 0.836 376 S HN 0.485 nan 8.310 nan 0.000 0.504 377 P HA 0.277 nan 4.420 nan 0.000 0.254 377 P C -0.108 176.787 177.300 -0.675 0.000 1.620 377 P CA -0.036 62.661 63.100 -0.672 0.000 1.050 377 P CB -0.104 31.116 31.700 -0.799 0.000 1.539 378 F N 0.437 120.082 119.950 -0.508 0.000 2.204 378 F HA 0.393 4.920 4.527 0.000 0.000 0.276 378 F C 1.706 177.161 175.800 -0.575 0.000 1.085 378 F CA 0.903 58.338 58.000 -0.941 0.000 1.160 378 F CB -1.027 36.999 39.000 -1.623 0.000 1.091 378 F HN 0.026 nan 8.300 nan 0.000 0.522 379 G N 0.396 109.087 108.800 -0.182 0.000 2.401 379 G HA2 -0.209 3.752 3.960 0.000 0.000 0.283 379 G HA3 -0.209 3.752 3.960 0.000 0.000 0.283 379 G C -1.058 174.097 174.900 0.425 0.000 1.117 379 G CA -0.588 44.621 45.100 0.182 0.000 1.051 379 G HN 0.161 nan 8.290 nan 0.000 0.510 380 W N 0.277 121.631 121.300 0.090 0.000 2.702 380 W HA 0.800 5.460 4.660 0.000 0.000 0.331 380 W C -0.055 176.497 176.519 0.055 0.000 1.049 380 W CA -1.873 55.487 57.345 0.025 0.000 1.230 380 W CB 1.383 30.796 29.460 -0.078 0.000 1.408 380 W HN 0.091 nan 8.180 nan 0.000 0.492 381 M N 4.116 123.842 119.600 0.210 0.000 2.294 381 M HA 0.379 4.859 4.480 0.000 0.000 0.335 381 M C -0.889 175.381 176.300 -0.050 0.000 1.079 381 M CA -1.102 54.265 55.300 0.111 0.000 0.982 381 M CB 1.866 34.511 32.600 0.075 0.000 1.651 381 M HN 0.346 nan 8.290 nan 0.000 0.437 382 I N 2.919 123.430 120.570 -0.099 0.000 2.378 382 I HA 0.709 4.879 4.170 0.000 0.000 0.291 382 I C -0.840 175.147 176.117 -0.216 0.000 0.992 382 I CA -0.165 61.045 61.300 -0.150 0.000 1.154 382 I CB 1.424 39.369 38.000 -0.092 0.000 1.315 382 I HN 0.771 nan 8.210 nan 0.000 0.448 383 A N 7.753 130.371 122.820 -0.335 0.000 2.371 383 A HA 0.925 5.246 4.320 0.000 0.000 0.311 383 A C -0.524 176.772 177.584 -0.481 0.000 1.068 383 A CA -0.664 51.073 52.037 -0.500 0.000 0.744 383 A CB 1.185 19.636 19.000 -0.915 0.000 1.239 383 A HN 0.705 nan 8.150 nan 0.000 0.435 384 R N 0.149 120.455 120.500 -0.322 0.000 2.836 384 R HA 0.653 4.993 4.340 0.000 0.000 0.269 384 R C 0.036 176.259 176.300 -0.128 0.000 1.010 384 R CA -0.054 55.879 56.100 -0.279 0.000 0.930 384 R CB 2.070 32.043 30.300 -0.545 0.000 1.218 384 R HN 0.775 nan 8.270 nan 0.000 0.473 385 T N -2.633 111.868 114.554 -0.088 0.000 3.043 385 T HA 0.412 4.763 4.350 0.000 0.000 0.272 385 T C 0.557 175.221 174.700 -0.060 0.000 0.990 385 T CA 0.032 62.133 62.100 0.001 0.000 0.897 385 T CB 0.946 69.867 68.868 0.088 0.000 1.111 385 T HN 0.776 nan 8.240 nan 0.000 0.529 386 G N -0.054 108.613 108.800 -0.220 0.000 2.323 386 G HA2 0.394 4.355 3.960 0.000 0.000 0.291 386 G HA3 0.394 4.355 3.960 0.000 0.000 0.291 386 G C -1.691 172.911 174.900 -0.497 0.000 1.278 386 G CA -0.812 44.162 45.100 -0.209 0.000 0.860 386 G HN 0.157 nan 8.290 nan 0.000 0.504 387 W N 0.164 121.468 121.300 0.008 0.000 2.534 387 W HA 0.502 5.162 4.660 0.001 0.000 0.339 387 W C 1.184 177.711 176.519 0.013 0.000 0.961 387 W CA 0.281 57.614 57.345 -0.019 0.000 1.545 387 W CB 1.318 30.745 29.460 -0.054 0.000 1.104 387 W HN 0.825 nan 8.180 nan 0.000 0.538 388 G N 0.643 109.557 108.800 0.190 0.000 2.606 388 G HA2 0.280 4.241 3.960 0.000 0.000 0.262 388 G HA3 0.280 4.241 3.960 0.000 0.000 0.262 388 G C -1.706 173.265 174.900 0.118 0.000 1.394 388 G CA -0.662 44.526 45.100 0.148 0.000 1.044 388 G HN -0.296 nan 8.290 nan 0.000 0.553 389 P HA -0.025 nan 4.420 nan 0.000 0.216 389 P C 1.215 178.560 177.300 0.075 0.000 1.150 389 P CA 0.895 64.042 63.100 0.079 0.000 0.837 389 P CB 0.250 31.986 31.700 0.060 0.000 0.786 390 E N -0.384 119.879 120.200 0.106 0.000 2.463 390 E HA 0.069 4.419 4.350 0.000 0.000 0.191 390 E C 0.024 176.803 176.600 0.299 0.000 1.083 390 E CA 0.317 56.823 56.400 0.178 0.000 0.872 390 E CB -0.444 29.369 29.700 0.189 0.000 0.966 390 E HN 0.254 nan 8.360 nan 0.000 0.491 391 S N 1.032 116.860 115.700 0.213 0.000 2.528 391 S HA 0.181 4.652 4.470 0.000 0.000 0.277 391 S C 0.432 175.254 174.600 0.370 0.000 1.297 391 S CA -0.474 57.842 58.200 0.194 0.000 1.052 391 S CB 1.708 64.931 63.200 0.039 0.000 0.917 391 S HN -0.054 nan 8.310 nan 0.000 0.492 392 V N 4.635 124.738 119.914 0.314 0.000 2.546 392 V HA 0.370 4.491 4.120 0.000 0.000 0.284 392 V C 0.063 176.261 176.094 0.174 0.000 1.050 392 V CA -0.283 62.212 62.300 0.325 0.000 0.981 392 V CB 0.650 32.616 31.823 0.239 0.000 0.990 392 V HN 0.726 nan 8.190 nan 0.000 0.474 393 I N 3.908 124.595 120.570 0.195 0.000 2.468 393 I HA 0.712 4.882 4.170 0.000 0.000 0.285 393 I C -0.067 176.063 176.117 0.022 0.000 1.039 393 I CA -0.450 60.868 61.300 0.030 0.000 1.074 393 I CB 1.791 39.801 38.000 0.017 0.000 1.228 393 I HN 0.663 nan 8.210 nan 0.000 0.436 394 A N 5.394 128.117 122.820 -0.162 0.000 2.355 394 A HA 0.753 5.073 4.320 0.000 0.000 0.317 394 A C -0.925 176.543 177.584 -0.195 0.000 1.094 394 A CA -0.505 51.433 52.037 -0.165 0.000 0.764 394 A CB 1.785 20.534 19.000 -0.418 0.000 1.230 394 A HN 0.746 nan 8.150 nan 0.000 0.448 395 E N 1.980 122.118 120.200 -0.102 0.000 2.248 395 E HA 0.713 5.063 4.350 0.000 0.000 0.267 395 E C -1.516 174.969 176.600 -0.191 0.000 0.877 395 E CA -0.507 55.802 56.400 -0.151 0.000 0.759 395 E CB 1.392 31.007 29.700 -0.141 0.000 1.182 395 E HN 0.672 nan 8.360 nan 0.000 0.418 396 M N 3.334 122.738 119.600 -0.327 0.000 2.267 396 M HA 0.417 4.897 4.480 0.000 0.000 0.289 396 M C -1.237 174.773 176.300 -0.483 0.000 1.043 396 M CA -0.515 54.350 55.300 -0.726 0.000 0.928 396 M CB 2.321 34.332 32.600 -0.982 0.000 1.613 396 M HN 0.165 nan 8.290 nan 0.000 0.450 397 K N 2.255 122.440 120.400 -0.359 0.000 2.507 397 K HA 0.489 4.810 4.320 0.000 0.000 0.252 397 K C -0.165 176.649 176.600 0.356 0.000 0.943 397 K CA -0.574 55.730 56.287 0.029 0.000 0.808 397 K CB 2.868 35.185 32.500 -0.305 0.000 1.142 397 K HN 0.409 nan 8.250 nan 0.000 0.426 398 V N 1.320 121.535 119.914 0.501 0.000 2.300 398 V HA -0.106 4.015 4.120 0.000 0.000 0.241 398 V C -0.086 176.242 176.094 0.390 0.000 1.034 398 V CA 0.625 63.177 62.300 0.421 0.000 1.021 398 V CB -0.646 31.382 31.823 0.342 0.000 0.662 398 V HN 0.937 nan 8.190 nan 0.000 0.458 399 N N 0.320 119.323 118.700 0.504 0.000 2.438 399 N HA -0.140 4.600 4.740 0.000 0.000 0.279 399 N C 0.437 176.079 175.510 0.220 0.000 1.343 399 N CA 0.651 53.961 53.050 0.434 0.000 0.632 399 N CB -0.861 37.858 38.487 0.386 0.000 0.902 399 N HN 0.571 nan 8.380 nan 0.000 0.518 400 E N -0.114 120.173 120.200 0.145 0.000 2.072 400 E HA -0.083 4.267 4.350 0.000 0.000 0.190 400 E C -0.160 176.435 176.600 -0.008 0.000 0.982 400 E CA 1.253 57.698 56.400 0.076 0.000 0.803 400 E CB 0.172 29.941 29.700 0.114 0.000 0.755 400 E HN 0.556 nan 8.360 nan 0.000 0.453 401 Y N -1.049 119.247 120.300 -0.005 0.000 2.605 401 Y HA 0.342 4.893 4.550 0.001 0.000 0.343 401 Y C -0.181 175.716 175.900 -0.005 0.000 1.036 401 Y CA -0.952 57.125 58.100 -0.039 0.000 1.065 401 Y CB 2.063 40.434 38.460 -0.148 0.000 1.288 401 Y HN -0.301 nan 8.280 nan 0.000 0.481 402 S N 0.396 116.183 115.700 0.144 0.000 2.472 402 S HA 0.465 4.935 4.470 0.000 0.000 0.303 402 S C -0.302 174.288 174.600 -0.016 0.000 1.099 402 S CA -0.461 57.850 58.200 0.185 0.000 1.077 402 S CB 0.241 63.576 63.200 0.224 0.000 1.031 402 S HN 0.518 nan 8.310 nan 0.000 0.487 403 F N 3.592 123.569 119.950 0.046 0.000 2.746 403 F HA 0.351 4.878 4.527 0.000 0.000 0.297 403 F C 0.817 176.602 175.800 -0.024 0.000 1.113 403 F CA -0.185 57.739 58.000 -0.126 0.000 1.367 403 F CB -0.507 38.222 39.000 -0.451 0.000 1.111 403 F HN 0.434 nan 8.300 nan 0.000 0.590 404 L N -0.613 120.766 121.223 0.259 0.000 7.692 404 L HA -0.398 3.943 4.340 0.000 0.000 0.063 404 L C 1.263 178.205 176.870 0.121 0.000 1.303 404 L CA 1.175 56.143 54.840 0.212 0.000 1.475 404 L CB -1.679 40.495 42.059 0.191 0.000 2.877 404 L HN 0.431 nan 8.230 nan 0.000 1.176 405 N N -2.580 116.107 118.700 -0.022 0.000 1.518 405 N HA -0.332 4.409 4.740 0.000 0.000 0.146 405 N C 0.925 176.406 175.510 -0.048 0.000 0.621 405 N CA 1.589 54.556 53.050 -0.137 0.000 1.108 405 N CB -0.805 37.567 38.487 -0.191 0.000 1.310 405 N HN 0.774 nan 8.380 nan 0.000 0.457 406 H N 0.890 120.027 119.070 0.112 0.000 2.539 406 H HA 0.120 4.676 4.556 0.000 0.000 0.267 406 H C 0.513 175.895 175.328 0.091 0.000 0.982 406 H CA 0.475 56.585 56.048 0.103 0.000 1.146 406 H CB -0.083 29.674 29.762 -0.009 0.000 1.382 406 H HN 0.383 nan 8.280 nan 0.000 0.577 407 Q N 0.849 120.789 119.800 0.233 0.000 2.293 407 Q HA 0.117 4.458 4.340 0.000 0.000 0.251 407 Q C -0.536 175.624 176.000 0.266 0.000 0.930 407 Q CA -0.194 55.719 55.803 0.184 0.000 0.893 407 Q CB 0.736 29.649 28.738 0.291 0.000 1.215 407 Q HN 0.503 nan 8.270 nan 0.000 0.425 408 H N 1.995 121.088 119.070 0.039 0.000 2.472 408 H HA 0.125 4.681 4.556 0.000 0.000 0.335 408 H C -0.339 174.955 175.328 -0.057 0.000 1.136 408 H CA -1.188 54.844 56.048 -0.027 0.000 1.264 408 H CB 1.056 30.721 29.762 -0.162 0.000 1.486 408 H HN 0.467 nan 8.280 nan 0.000 0.517 409 Q N 2.958 122.812 119.800 0.090 0.000 2.903 409 Q HA -0.012 4.328 4.340 0.000 0.000 0.243 409 Q C -0.373 175.507 176.000 -0.200 0.000 1.366 409 Q CA 0.119 55.900 55.803 -0.036 0.000 0.898 409 Q CB -0.938 27.754 28.738 -0.075 0.000 1.718 409 Q HN 0.627 nan 8.270 nan 0.000 0.557 410 D N -1.671 118.578 120.400 -0.251 0.000 2.670 410 D HA 0.274 4.914 4.640 0.000 0.000 0.255 410 D C 0.088 176.301 176.300 -0.145 0.000 1.286 410 D CA -0.624 53.123 54.000 -0.421 0.000 0.830 410 D CB 0.076 40.354 40.800 -0.870 0.000 1.065 410 D HN 0.236 nan 8.370 nan 0.000 0.486 411 A N 0.360 123.157 122.820 -0.038 0.000 2.587 411 A HA 0.430 4.750 4.320 0.000 0.000 0.235 411 A C 1.837 179.513 177.584 0.153 0.000 1.044 411 A CA 0.685 52.773 52.037 0.086 0.000 0.754 411 A CB -0.494 18.552 19.000 0.076 0.000 0.968 411 A HN 1.072 nan 8.150 nan 0.000 0.509 412 G N 0.535 109.497 108.800 0.270 0.000 2.184 412 G HA2 0.123 4.083 3.960 0.000 0.000 0.264 412 G HA3 0.123 4.083 3.960 0.000 0.000 0.264 412 G C 0.607 175.812 174.900 0.508 0.000 0.975 412 G CA 0.641 45.989 45.100 0.413 0.000 0.642 412 G HN 2.281 nan 8.290 nan 0.000 0.536 413 A N 0.033 123.013 122.820 0.266 0.000 2.425 413 A HA 0.697 5.017 4.320 0.000 0.000 0.249 413 A C 0.140 177.863 177.584 0.231 0.000 1.084 413 A CA 0.453 52.581 52.037 0.153 0.000 0.781 413 A CB 0.058 19.048 19.000 -0.017 0.000 1.019 413 A HN 1.600 nan 8.150 nan 0.000 0.490 414 F N -0.089 119.959 119.950 0.163 0.000 2.538 414 F HA 0.768 5.295 4.527 0.000 0.000 0.325 414 F C -0.281 175.555 175.800 0.059 0.000 1.066 414 F CA -0.919 57.135 58.000 0.090 0.000 0.946 414 F CB 1.627 40.773 39.000 0.243 0.000 1.199 414 F HN 0.585 nan 8.300 nan 0.000 0.473 415 Q N 2.904 122.805 119.800 0.167 0.000 2.305 415 Q HA 0.649 4.990 4.340 0.000 0.000 0.271 415 Q C -1.966 174.146 176.000 0.187 0.000 1.046 415 Q CA -0.725 55.141 55.803 0.106 0.000 0.798 415 Q CB 2.601 31.354 28.738 0.024 0.000 1.286 415 Q HN 0.916 nan 8.270 nan 0.000 0.435 416 I N 3.709 124.412 120.570 0.222 0.000 2.468 416 I HA 0.327 4.497 4.170 0.000 0.000 0.285 416 I C -1.285 174.983 176.117 0.252 0.000 1.039 416 I CA -0.808 60.642 61.300 0.248 0.000 1.074 416 I CB 1.574 39.753 38.000 0.298 0.000 1.228 416 I HN 0.589 nan 8.210 nan 0.000 0.436 417 Y N 7.627 128.004 120.300 0.129 0.000 2.360 417 Y HA 0.641 5.191 4.550 0.000 0.000 0.337 417 Y C -1.593 174.431 175.900 0.207 0.000 1.039 417 Y CA -0.808 57.368 58.100 0.127 0.000 1.109 417 Y CB 1.460 39.966 38.460 0.077 0.000 1.201 417 Y HN 0.543 nan 8.280 nan 0.000 0.458 418 Y N 5.520 125.606 120.300 -0.357 0.000 2.333 418 Y HA 0.245 4.796 4.550 0.000 0.000 0.319 418 Y C -0.717 174.909 175.900 -0.457 0.000 1.200 418 Y CA -1.734 56.238 58.100 -0.213 0.000 1.084 418 Y CB 1.003 39.457 38.460 -0.009 0.000 1.268 418 Y HN 0.776 nan 8.280 nan 0.000 0.422 419 K N 4.460 124.294 120.400 -0.942 0.000 3.356 419 K HA -0.113 4.208 4.320 0.000 0.000 0.270 419 K C 0.187 176.411 176.600 -0.627 0.000 0.901 419 K CA 1.422 57.289 56.287 -0.700 0.000 0.688 419 K CB -1.568 30.511 32.500 -0.702 0.000 1.460 419 K HN 1.476 nan 8.250 nan 0.000 0.458 420 G N -0.402 107.744 108.800 -1.090 0.000 2.484 420 G HA2 -0.041 3.919 3.960 0.000 0.000 0.685 420 G HA3 -0.041 3.919 3.960 0.000 0.000 0.685 420 G C -3.222 171.267 174.900 -0.684 0.000 1.294 420 G CA -1.179 43.552 45.100 -0.616 0.000 0.879 420 G HN -0.057 nan 8.290 nan 0.000 0.646 421 P HA 0.401 nan 4.420 nan 0.000 0.276 421 P C 0.874 178.180 177.300 0.009 0.000 1.264 421 P CA -0.225 62.895 63.100 0.034 0.000 0.769 421 P CB 0.598 32.363 31.700 0.110 0.000 0.840 422 L N 2.594 123.846 121.223 0.049 0.000 2.356 422 L HA 0.311 4.652 4.340 0.000 0.000 0.193 422 L C 1.214 178.157 176.870 0.122 0.000 1.087 422 L CA 0.458 55.347 54.840 0.081 0.000 0.817 422 L CB -0.574 41.548 42.059 0.105 0.000 1.035 422 L HN 0.217 nan 8.230 nan 0.000 0.482 423 A N 1.631 124.545 122.820 0.157 0.000 2.322 423 A HA 0.558 4.879 4.320 0.000 0.000 0.327 423 A C -0.235 177.399 177.584 0.083 0.000 1.394 423 A CA -0.476 51.654 52.037 0.155 0.000 0.921 423 A CB -0.350 18.817 19.000 0.279 0.000 1.153 423 A HN 0.333 nan 8.150 nan 0.000 0.523 424 I N -0.883 119.728 120.570 0.069 0.000 2.783 424 I HA 0.547 4.718 4.170 0.000 0.000 0.312 424 I C -0.487 175.605 176.117 -0.040 0.000 0.988 424 I CA -0.712 60.614 61.300 0.044 0.000 1.182 424 I CB 1.543 39.582 38.000 0.064 0.000 1.368 424 I HN 0.344 nan 8.210 nan 0.000 0.511 425 D N 4.109 124.494 120.400 -0.025 0.000 2.499 425 D HA 0.467 5.107 4.640 0.000 0.000 0.225 425 D C -0.044 176.253 176.300 -0.005 0.000 1.124 425 D CA -0.110 53.843 54.000 -0.078 0.000 0.938 425 D CB 0.871 41.697 40.800 0.043 0.000 1.014 425 D HN 0.768 nan 8.370 nan 0.000 0.517 426 A N 1.640 124.382 122.820 -0.131 0.000 2.296 426 A HA 0.742 5.062 4.320 0.000 0.000 0.264 426 A C 0.971 178.885 177.584 0.550 0.000 1.097 426 A CA 0.455 52.608 52.037 0.195 0.000 0.811 426 A CB 0.142 19.292 19.000 0.249 0.000 1.072 426 A HN 0.863 nan 8.150 nan 0.000 0.495 427 G N -1.342 107.896 108.800 0.731 0.000 2.685 427 G HA2 0.338 4.298 3.960 0.000 0.000 0.387 427 G HA3 0.338 4.298 3.960 0.000 0.000 0.387 427 G C -0.171 174.860 174.900 0.217 0.000 1.324 427 G CA 0.141 45.616 45.100 0.626 0.000 0.878 427 G HN 2.083 nan 8.290 nan 0.000 0.527 428 S N -2.009 113.396 115.700 -0.491 0.000 2.550 428 S HA 0.575 5.045 4.470 0.000 0.000 0.270 428 S C 0.514 174.537 174.600 -0.962 0.000 1.145 428 S CA 0.467 58.300 58.200 -0.611 0.000 0.852 428 S CB 1.455 64.600 63.200 -0.092 0.000 1.119 428 S HN 1.602 nan 8.310 nan 0.000 0.465 429 Y N 3.684 123.596 120.300 -0.648 0.000 2.114 429 Y HA 0.067 4.618 4.550 0.000 0.000 0.284 429 Y C 1.372 177.230 175.900 -0.071 0.000 1.143 429 Y CA 2.262 60.282 58.100 -0.133 0.000 1.135 429 Y CB -0.544 38.035 38.460 0.197 0.000 0.980 429 Y HN 0.760 nan 8.280 nan 0.000 0.499 430 T N -1.661 112.803 114.554 -0.150 0.000 2.940 430 T HA 0.764 5.115 4.350 0.000 0.000 0.288 430 T C 0.143 174.742 174.700 -0.167 0.000 1.045 430 T CA -0.227 61.753 62.100 -0.200 0.000 1.018 430 T CB 1.877 70.645 68.868 -0.166 0.000 1.151 430 T HN 0.672 nan 8.240 nan 0.000 0.529 431 G N 0.144 108.860 108.800 -0.140 0.000 2.352 431 G HA2 0.304 4.264 3.960 0.000 0.000 0.283 431 G HA3 0.304 4.264 3.960 0.000 0.000 0.283 431 G C 0.653 175.495 174.900 -0.096 0.000 1.308 431 G CA 0.296 45.323 45.100 -0.121 0.000 0.892 431 G HN 1.430 nan 8.290 nan 0.000 0.504 432 S N -0.648 115.004 115.700 -0.080 0.000 2.440 432 S HA -0.112 4.359 4.470 0.000 0.000 0.240 432 S C 2.281 176.854 174.600 -0.046 0.000 1.014 432 S CA 2.531 60.701 58.200 -0.050 0.000 0.980 432 S CB -0.230 62.950 63.200 -0.033 0.000 0.775 432 S HN 1.425 nan 8.310 nan 0.000 0.499 433 S N 0.764 116.419 115.700 -0.075 0.000 2.436 433 S HA 0.420 4.890 4.470 0.000 0.000 0.228 433 S C 1.068 175.660 174.600 -0.013 0.000 1.014 433 S CA 0.982 59.163 58.200 -0.032 0.000 0.950 433 S CB -0.695 62.486 63.200 -0.031 0.000 0.784 433 S HN 1.240 nan 8.310 nan 0.000 0.504 434 G N -1.032 107.743 108.800 -0.042 0.000 2.265 434 G HA2 0.309 4.270 3.960 0.000 0.000 0.246 434 G HA3 0.309 4.270 3.960 0.000 0.000 0.246 434 G C 0.028 174.882 174.900 -0.078 0.000 1.299 434 G CA -0.267 44.813 45.100 -0.034 0.000 1.117 434 G HN 0.786 nan 8.290 nan 0.000 0.485 435 G N -2.169 106.588 108.800 -0.072 0.000 3.175 435 G HA2 0.532 4.492 3.960 0.000 0.000 0.153 435 G HA3 0.532 4.492 3.960 0.000 0.000 0.153 435 G C 0.861 175.712 174.900 -0.082 0.000 1.216 435 G CA 0.776 45.762 45.100 -0.190 0.000 0.943 435 G HN 1.122 nan 8.290 nan 0.000 0.611 436 Y N 1.141 121.347 120.300 -0.157 0.000 2.133 436 Y HA -0.258 4.292 4.550 0.001 0.000 0.279 436 Y C 2.438 178.479 175.900 0.235 0.000 1.209 436 Y CA 2.695 60.918 58.100 0.205 0.000 1.152 436 Y CB 0.140 38.758 38.460 0.263 0.000 0.961 436 Y HN 0.280 nan 8.280 nan 0.000 0.512 437 N N 0.393 119.266 118.700 0.289 0.000 2.461 437 N HA -0.021 4.720 4.740 0.000 0.000 0.188 437 N C 0.484 176.079 175.510 0.142 0.000 1.134 437 N CA 0.779 53.978 53.050 0.248 0.000 0.878 437 N CB -0.423 38.154 38.487 0.149 0.000 0.972 437 N HN 0.323 nan 8.380 nan 0.000 0.456 438 S N 1.446 117.204 115.700 0.096 0.000 2.558 438 S HA 0.064 4.535 4.470 0.000 0.000 0.287 438 S C -1.505 173.130 174.600 0.059 0.000 1.321 438 S CA -0.807 57.434 58.200 0.069 0.000 1.048 438 S CB 1.117 64.352 63.200 0.058 0.000 0.844 438 S HN -0.090 nan 8.310 nan 0.000 0.512 439 P HA -0.165 nan 4.420 nan 0.000 0.216 439 P C 1.292 178.596 177.300 0.006 0.000 1.153 439 P CA 1.797 64.938 63.100 0.068 0.000 0.858 439 P CB -0.190 31.631 31.700 0.201 0.000 0.789 440 H N -0.756 118.307 119.070 -0.012 0.000 2.421 440 H HA -0.074 4.483 4.556 0.000 0.000 0.298 440 H C 1.880 177.197 175.328 -0.017 0.000 1.087 440 H CA 1.600 57.617 56.048 -0.051 0.000 1.330 440 H CB -0.412 29.259 29.762 -0.152 0.000 1.388 440 H HN 0.017 nan 8.280 nan 0.000 0.526 441 N N 0.198 118.905 118.700 0.011 0.000 2.171 441 N HA -0.101 4.640 4.740 0.000 0.000 0.184 441 N C 1.531 176.962 175.510 -0.131 0.000 1.021 441 N CA 1.225 54.286 53.050 0.018 0.000 0.854 441 N CB 0.030 38.568 38.487 0.086 0.000 0.994 441 N HN 0.467 nan 8.380 nan 0.000 0.426 442 K N 0.491 120.760 120.400 -0.219 0.000 2.155 442 K HA 0.068 4.388 4.320 0.000 0.000 0.203 442 K C 0.971 177.419 176.600 -0.254 0.000 1.052 442 K CA 0.774 56.930 56.287 -0.217 0.000 0.948 442 K CB 0.155 32.513 32.500 -0.236 0.000 0.728 442 K HN 0.171 nan 8.250 nan 0.000 0.448 443 N N -1.141 117.315 118.700 -0.407 0.000 2.227 443 N HA 0.066 4.806 4.740 0.000 0.000 0.196 443 N C 0.542 175.789 175.510 -0.438 0.000 1.142 443 N CA 0.402 53.071 53.050 -0.637 0.000 0.887 443 N CB 0.635 38.267 38.487 -1.425 0.000 1.022 443 N HN 0.080 nan 8.380 nan 0.000 0.500 444 F N -0.773 118.883 119.950 -0.490 0.000 1.964 444 F HA 0.227 4.755 4.527 0.000 0.000 0.248 444 F C 1.575 177.197 175.800 -0.296 0.000 1.051 444 F CA -0.403 57.381 58.000 -0.361 0.000 1.221 444 F CB -0.406 38.370 39.000 -0.374 0.000 1.497 444 F HN -0.262 nan 8.300 nan 0.000 0.653 445 F N 2.561 122.249 119.950 -0.437 0.000 2.063 445 F HA -0.162 4.366 4.527 0.000 0.000 0.298 445 F C 2.026 177.452 175.800 -0.622 0.000 1.109 445 F CA 2.173 59.931 58.000 -0.403 0.000 1.212 445 F CB -0.588 38.277 39.000 -0.225 0.000 0.973 445 F HN -0.052 nan 8.300 nan 0.000 0.480 446 K N -0.289 119.810 120.400 -0.501 0.000 2.487 446 K HA -0.000 4.320 4.320 0.000 0.000 0.192 446 K C 0.541 177.017 176.600 -0.206 0.000 1.027 446 K CA 0.022 55.993 56.287 -0.526 0.000 1.054 446 K CB 0.236 32.751 32.500 0.026 0.000 0.824 446 K HN 0.062 nan 8.250 nan 0.000 0.510 447 R N 0.010 120.350 120.500 -0.267 0.000 2.607 447 R HA 0.156 4.496 4.340 0.000 0.000 0.261 447 R C 1.305 177.506 176.300 -0.165 0.000 1.051 447 R CA -0.220 55.726 56.100 -0.256 0.000 1.110 447 R CB 0.140 30.228 30.300 -0.353 0.000 1.158 447 R HN -0.134 nan 8.270 nan 0.000 0.543 448 T N 1.063 115.529 114.554 -0.148 0.000 2.746 448 T HA -0.107 4.243 4.350 0.000 0.000 0.267 448 T C 1.846 176.532 174.700 -0.024 0.000 1.039 448 T CA 1.091 63.158 62.100 -0.054 0.000 1.142 448 T CB -0.170 68.674 68.868 -0.040 0.000 0.866 448 T HN 0.515 nan 8.240 nan 0.000 0.444 449 I N 1.146 121.646 120.570 -0.116 0.000 2.502 449 I HA -0.229 3.942 4.170 0.000 0.000 0.258 449 I C 2.263 178.250 176.117 -0.216 0.000 1.172 449 I CA 0.957 62.196 61.300 -0.101 0.000 1.430 449 I CB -0.197 37.758 38.000 -0.075 0.000 1.086 449 I HN 0.221 nan 8.210 nan 0.000 0.440 450 A N -1.047 121.393 122.820 -0.633 0.000 2.238 450 A HA 0.017 4.338 4.320 0.000 0.000 0.208 450 A C 0.299 177.198 177.584 -1.143 0.000 1.177 450 A CA 0.527 51.917 52.037 -1.079 0.000 0.804 450 A CB -0.574 17.662 19.000 -1.273 0.000 0.823 450 A HN 0.566 nan 8.150 nan 0.000 0.482 451 H N -1.237 117.549 119.070 -0.473 0.000 2.731 451 H HA 0.360 4.916 4.556 0.000 0.000 0.368 451 H C -0.554 174.649 175.328 -0.208 0.000 1.168 451 H CA -1.135 54.694 56.048 -0.366 0.000 1.181 451 H CB 0.669 30.297 29.762 -0.223 0.000 1.743 451 H HN 0.060 nan 8.280 nan 0.000 0.547 452 N N 1.106 119.687 118.700 -0.199 0.000 2.971 452 N HA 0.048 4.788 4.740 0.000 0.000 0.294 452 N C -0.444 174.846 175.510 -0.366 0.000 1.210 452 N CA 0.160 52.920 53.050 -0.483 0.000 1.157 452 N CB 0.399 38.178 38.487 -1.180 0.000 1.450 452 N HN 0.443 nan 8.380 nan 0.000 0.527 453 S N 0.181 115.782 115.700 -0.164 0.000 3.605 453 S HA 0.660 5.130 4.470 0.000 0.000 0.301 453 S C -1.149 173.435 174.600 -0.026 0.000 1.083 453 S CA -0.563 57.623 58.200 -0.023 0.000 1.109 453 S CB 0.476 63.716 63.200 0.066 0.000 1.364 453 S HN 0.198 nan 8.310 nan 0.000 0.758 454 L N 1.729 123.026 121.223 0.122 0.000 2.386 454 L HA 0.624 4.964 4.340 0.000 0.000 0.271 454 L C -1.297 175.735 176.870 0.271 0.000 0.993 454 L CA -0.525 54.412 54.840 0.163 0.000 0.819 454 L CB 1.789 43.934 42.059 0.144 0.000 1.294 454 L HN 0.511 nan 8.230 nan 0.000 0.414 455 L N 4.037 125.449 121.223 0.315 0.000 2.342 455 L HA 0.635 4.975 4.340 0.000 0.000 0.271 455 L C -1.047 176.071 176.870 0.415 0.000 1.008 455 L CA -0.666 54.403 54.840 0.380 0.000 0.818 455 L CB 2.286 44.555 42.059 0.351 0.000 1.296 455 L HN 0.418 nan 8.230 nan 0.000 0.427 456 I N 2.101 122.868 120.570 0.329 0.000 2.503 456 I HA 0.195 4.366 4.170 0.000 0.000 0.282 456 I C -1.106 175.131 176.117 0.201 0.000 1.059 456 I CA -0.133 61.324 61.300 0.263 0.000 1.081 456 I CB 1.429 39.473 38.000 0.073 0.000 1.210 456 I HN 0.327 nan 8.210 nan 0.000 0.450 457 Y N 5.562 125.952 120.300 0.151 0.000 2.477 457 Y HA 0.373 4.923 4.550 0.000 0.000 0.349 457 Y C -0.018 175.683 175.900 -0.332 0.000 0.977 457 Y CA -0.293 57.773 58.100 -0.057 0.000 1.214 457 Y CB 0.513 38.980 38.460 0.012 0.000 1.124 457 Y HN 0.493 nan 8.280 nan 0.000 0.521 458 D N 8.892 128.719 120.400 -0.956 0.000 2.359 458 D HA 0.218 4.858 4.640 0.000 0.000 0.230 458 D C -1.913 173.848 176.300 -0.898 0.000 1.118 458 D CA -2.635 50.599 54.000 -1.277 0.000 0.844 458 D CB 1.807 41.844 40.800 -1.271 0.000 1.059 458 D HN 0.317 nan 8.370 nan 0.000 0.493 459 P HA -0.083 nan 4.420 nan 0.000 0.228 459 P C 0.325 177.490 177.300 -0.225 0.000 1.151 459 P CA 0.832 63.795 63.100 -0.228 0.000 0.770 459 P CB 0.379 32.114 31.700 0.059 0.000 0.786 460 K N -0.739 119.503 120.400 -0.263 0.000 2.413 460 K HA 0.133 4.453 4.320 0.000 0.000 0.204 460 K C 0.673 177.131 176.600 -0.237 0.000 1.041 460 K CA -0.219 55.957 56.287 -0.185 0.000 1.082 460 K CB 0.688 33.126 32.500 -0.103 0.000 0.871 460 K HN 0.163 nan 8.250 nan 0.000 0.535 461 E N 2.172 122.176 120.200 -0.327 0.000 2.354 461 E HA 0.041 4.391 4.350 0.000 0.000 0.269 461 E C -0.481 175.952 176.600 -0.279 0.000 1.036 461 E CA 0.039 56.226 56.400 -0.356 0.000 0.876 461 E CB 0.821 30.249 29.700 -0.454 0.000 1.009 461 E HN 0.084 nan 8.360 nan 0.000 0.416 462 T N 0.241 114.591 114.554 -0.341 0.000 2.924 462 T HA 0.575 4.925 4.350 0.000 0.000 0.291 462 T C -0.749 173.786 174.700 -0.275 0.000 1.045 462 T CA -0.782 61.189 62.100 -0.216 0.000 1.015 462 T CB 0.696 69.356 68.868 -0.346 0.000 1.103 462 T HN 0.261 nan 8.240 nan 0.000 0.496 463 F N 1.301 121.231 119.950 -0.034 0.000 2.610 463 F HA 0.511 5.038 4.527 0.000 0.000 0.355 463 F C 0.677 176.547 175.800 0.118 0.000 1.140 463 F CA -0.822 57.147 58.000 -0.052 0.000 1.037 463 F CB 1.859 40.744 39.000 -0.191 0.000 1.287 463 F HN 0.708 nan 8.300 nan 0.000 0.457 464 S N 1.467 117.291 115.700 0.206 0.000 2.488 464 S HA 0.299 4.769 4.470 0.000 0.000 0.278 464 S C 0.786 175.448 174.600 0.104 0.000 1.259 464 S CA 0.107 58.389 58.200 0.138 0.000 1.061 464 S CB 0.358 63.596 63.200 0.065 0.000 0.910 464 S HN 0.694 nan 8.310 nan 0.000 0.491 465 S N 2.559 118.308 115.700 0.081 0.000 2.780 465 S HA 0.066 4.537 4.470 0.000 0.000 0.248 465 S C 1.574 176.307 174.600 0.222 0.000 1.036 465 S CA 0.194 58.550 58.200 0.260 0.000 1.061 465 S CB -0.174 63.199 63.200 0.289 0.000 1.037 465 S HN 0.851 nan 8.310 nan 0.000 0.584 466 S N 1.727 117.460 115.700 0.055 0.000 2.420 466 S HA -0.038 4.432 4.470 0.000 0.000 0.237 466 S C 1.729 176.383 174.600 0.090 0.000 1.023 466 S CA 1.354 59.572 58.200 0.029 0.000 0.991 466 S CB -1.018 62.135 63.200 -0.077 0.000 0.792 466 S HN 0.681 nan 8.310 nan 0.000 0.488 467 G N -0.991 107.893 108.800 0.141 0.000 2.986 467 G HA2 0.162 4.122 3.960 0.000 0.000 0.213 467 G HA3 0.162 4.122 3.960 0.000 0.000 0.213 467 G C 0.124 175.134 174.900 0.184 0.000 1.156 467 G CA -0.435 44.731 45.100 0.109 0.000 0.763 467 G HN 0.592 nan 8.290 nan 0.000 0.547 468 Y N 1.950 122.345 120.300 0.158 0.000 2.511 468 Y HA 0.360 4.911 4.550 0.001 0.000 0.332 468 Y C 1.082 177.080 175.900 0.164 0.000 1.177 468 Y CA 0.786 58.920 58.100 0.057 0.000 1.422 468 Y CB 0.365 38.815 38.460 -0.017 0.000 1.271 468 Y HN 0.529 nan 8.280 nan 0.000 0.550 469 G N 3.371 111.867 108.800 -0.506 0.000 2.796 469 G HA2 -0.110 3.850 3.960 0.000 0.000 0.226 469 G HA3 -0.110 3.850 3.960 0.000 0.000 0.226 469 G C 0.524 175.442 174.900 0.030 0.000 1.381 469 G CA -0.229 44.734 45.100 -0.228 0.000 0.867 469 G HN 1.503 nan 8.290 nan 0.000 0.552 470 G N -1.160 107.631 108.800 -0.016 0.000 3.228 470 G HA2 0.571 4.531 3.960 0.000 0.000 0.245 470 G HA3 0.571 4.531 3.960 0.000 0.000 0.245 470 G C 0.277 175.164 174.900 -0.022 0.000 1.051 470 G CA 1.437 46.574 45.100 0.061 0.000 0.809 470 G HN 1.382 nan 8.290 nan 0.000 0.531 471 S N 0.261 115.800 115.700 -0.269 0.000 2.550 471 S HA 0.453 4.924 4.470 0.000 0.000 0.270 471 S C -1.482 172.898 174.600 -0.366 0.000 1.145 471 S CA -0.632 57.423 58.200 -0.241 0.000 0.852 471 S CB 1.866 65.032 63.200 -0.056 0.000 1.119 471 S HN 0.189 nan 8.310 nan 0.000 0.465 472 D N 2.189 122.455 120.400 -0.222 0.000 2.746 472 D HA -0.129 4.511 4.640 0.000 0.000 0.241 472 D C -0.457 175.776 176.300 -0.111 0.000 1.140 472 D CA 0.949 54.892 54.000 -0.096 0.000 0.707 472 D CB -1.455 39.332 40.800 -0.022 0.000 1.034 472 D HN 0.519 nan 8.370 nan 0.000 0.423 473 H N 0.084 119.207 119.070 0.089 0.000 2.683 473 H HA 0.418 4.974 4.556 0.000 0.000 0.339 473 H C 0.790 176.161 175.328 0.072 0.000 1.081 473 H CA 0.373 56.477 56.048 0.093 0.000 1.432 473 H CB 0.885 30.688 29.762 0.069 0.000 1.462 473 H HN 0.005 nan 8.280 nan 0.000 0.557 474 T N 2.590 117.257 114.554 0.188 0.000 2.841 474 T HA 0.060 4.410 4.350 0.000 0.000 0.283 474 T C 0.798 175.512 174.700 0.023 0.000 1.000 474 T CA -0.808 61.355 62.100 0.105 0.000 0.977 474 T CB 1.813 70.742 68.868 0.102 0.000 0.979 474 T HN 0.446 nan 8.240 nan 0.000 0.446 475 D N 0.918 121.256 120.400 -0.102 0.000 2.144 475 D HA 0.050 4.690 4.640 0.000 0.000 0.199 475 D C 0.059 175.931 176.300 -0.714 0.000 0.984 475 D CA 1.489 55.218 54.000 -0.452 0.000 0.834 475 D CB 0.112 40.544 40.800 -0.614 0.000 0.955 475 D HN 0.468 nan 8.370 nan 0.000 0.465 476 F N -1.124 118.871 119.950 0.074 0.000 2.613 476 F HA 0.624 5.152 4.527 0.001 0.000 0.314 476 F C 0.208 176.027 175.800 0.030 0.000 1.075 476 F CA -1.275 56.759 58.000 0.057 0.000 0.945 476 F CB 1.721 40.747 39.000 0.044 0.000 1.310 476 F HN -0.281 nan 8.300 nan 0.000 0.467 477 A N 0.722 123.646 122.820 0.173 0.000 2.344 477 A HA 0.906 5.226 4.320 0.000 0.000 0.307 477 A C -0.578 176.947 177.584 -0.098 0.000 1.151 477 A CA -0.528 51.496 52.037 -0.021 0.000 0.842 477 A CB 0.651 19.551 19.000 -0.167 0.000 1.350 477 A HN 1.033 nan 8.150 nan 0.000 0.459 478 A N 0.368 123.060 122.820 -0.212 0.000 2.448 478 A HA 0.388 4.709 4.320 0.000 0.000 0.239 478 A C 0.315 177.631 177.584 -0.447 0.000 1.080 478 A CA -0.025 51.889 52.037 -0.205 0.000 0.779 478 A CB -0.264 18.644 19.000 -0.154 0.000 1.026 478 A HN 0.822 nan 8.150 nan 0.000 0.499 479 N N 0.757 119.279 118.700 -0.297 0.000 2.437 479 N HA 0.119 4.859 4.740 0.000 0.000 0.243 479 N C -0.287 175.085 175.510 -0.230 0.000 1.041 479 N CA -0.254 52.560 53.050 -0.394 0.000 0.940 479 N CB 0.865 39.268 38.487 -0.141 0.000 1.133 479 N HN 0.577 nan 8.380 nan 0.000 0.506 480 D N 2.418 122.604 120.400 -0.357 0.000 2.363 480 D HA 0.117 4.757 4.640 0.000 0.000 0.214 480 D C 0.937 177.328 176.300 0.152 0.000 1.093 480 D CA 0.099 54.107 54.000 0.012 0.000 0.837 480 D CB -0.467 40.260 40.800 -0.120 0.000 0.948 480 D HN 0.640 nan 8.370 nan 0.000 0.507 481 G N 0.065 108.882 108.800 0.028 0.000 2.187 481 G HA2 -0.221 3.739 3.960 0.000 0.000 0.261 481 G HA3 -0.221 3.739 3.960 0.000 0.000 0.261 481 G C 0.652 175.675 174.900 0.205 0.000 1.000 481 G CA 0.411 45.582 45.100 0.118 0.000 0.718 481 G HN 0.766 nan 8.290 nan 0.000 0.519 482 G N -1.121 107.766 108.800 0.145 0.000 2.773 482 G HA2 0.589 4.550 3.960 0.000 0.000 0.186 482 G HA3 0.589 4.550 3.960 0.000 0.000 0.186 482 G C 0.188 175.132 174.900 0.073 0.000 1.411 482 G CA -0.208 44.969 45.100 0.128 0.000 1.054 482 G HN 0.535 nan 8.290 nan 0.000 0.579 483 Q N -0.290 119.386 119.800 -0.206 0.000 2.256 483 Q HA 0.387 4.728 4.340 0.000 0.000 0.232 483 Q C 0.129 176.037 176.000 -0.154 0.000 0.965 483 Q CA -0.341 55.189 55.803 -0.455 0.000 0.908 483 Q CB 1.260 29.650 28.738 -0.579 0.000 1.209 483 Q HN 0.361 nan 8.270 nan 0.000 0.489 484 R N 0.418 120.786 120.500 -0.221 0.000 2.827 484 R HA 0.165 4.505 4.340 0.000 0.000 0.269 484 R C -0.397 175.787 176.300 -0.194 0.000 1.048 484 R CA -0.051 55.917 56.100 -0.219 0.000 1.173 484 R CB 0.118 30.273 30.300 -0.242 0.000 1.070 484 R HN 0.434 nan 8.270 nan 0.000 0.498 485 L N 3.076 124.157 121.223 -0.236 0.000 2.272 485 L HA 0.342 4.683 4.340 0.000 0.000 0.284 485 L C -2.074 174.713 176.870 -0.138 0.000 1.045 485 L CA -2.241 52.377 54.840 -0.370 0.000 0.842 485 L CB 0.982 42.618 42.059 -0.705 0.000 1.224 485 L HN 0.316 nan 8.230 nan 0.000 0.430 486 P HA 0.388 nan 4.420 nan 0.000 0.275 486 P C 0.318 177.598 177.300 -0.033 0.000 1.266 486 P CA 0.076 63.097 63.100 -0.132 0.000 0.793 486 P CB 0.736 32.350 31.700 -0.143 0.000 1.074 487 G N -0.327 108.277 108.800 -0.327 0.000 2.757 487 G HA2 -0.167 3.794 3.960 0.000 0.000 0.638 487 G HA3 -0.167 3.794 3.960 0.000 0.000 0.638 487 G C -1.012 173.910 174.900 0.038 0.000 1.344 487 G CA -0.760 44.342 45.100 0.005 0.000 0.855 487 G HN 0.541 nan 8.290 nan 0.000 0.537 488 K N 1.126 121.591 120.400 0.109 0.000 2.155 488 K HA 0.456 4.776 4.320 0.000 0.000 0.240 488 K C 1.140 177.793 176.600 0.089 0.000 1.193 488 K CA 0.581 56.906 56.287 0.064 0.000 1.104 488 K CB 0.132 32.664 32.500 0.054 0.000 1.558 488 K HN 2.158 nan 8.250 nan 0.000 0.313 489 G N 2.042 110.903 108.800 0.101 0.000 2.212 489 G HA2 -0.228 3.732 3.960 0.000 0.000 0.255 489 G HA3 -0.228 3.732 3.960 0.000 0.000 0.255 489 G C -0.235 174.864 174.900 0.333 0.000 1.062 489 G CA -0.293 44.897 45.100 0.150 0.000 0.815 489 G HN 0.742 nan 8.290 nan 0.000 0.497 490 W N -1.868 119.488 121.300 0.094 0.000 3.910 490 W HA -0.213 4.448 4.660 0.001 0.000 0.355 490 W C 0.303 176.939 176.519 0.195 0.000 1.359 490 W CA 0.258 57.698 57.345 0.157 0.000 0.732 490 W CB -1.792 27.774 29.460 0.175 0.000 2.472 490 W HN 0.983 nan 8.180 nan 0.000 1.296 491 I N -0.102 120.629 120.570 0.268 0.000 2.648 491 I HA 0.811 4.981 4.170 0.000 0.000 0.304 491 I C 1.012 177.233 176.117 0.174 0.000 1.009 491 I CA -1.001 60.374 61.300 0.124 0.000 1.114 491 I CB 1.083 39.124 38.000 0.069 0.000 1.293 491 I HN 0.065 nan 8.210 nan 0.000 0.449 492 A N 4.439 127.285 122.820 0.044 0.000 2.425 492 A HA 0.571 4.892 4.320 0.000 0.000 0.242 492 A C -2.281 175.250 177.584 -0.089 0.000 1.077 492 A CA -1.052 50.958 52.037 -0.045 0.000 0.781 492 A CB -0.600 18.338 19.000 -0.103 0.000 1.020 492 A HN 0.642 nan 8.150 nan 0.000 0.494 493 P HA 0.226 nan 4.420 nan 0.000 0.276 493 P C 0.426 177.611 177.300 -0.192 0.000 1.252 493 P CA -0.436 62.522 63.100 -0.238 0.000 0.802 493 P CB 0.877 32.263 31.700 -0.524 0.000 1.035 494 R N 1.439 121.863 120.500 -0.127 0.000 2.083 494 R HA -0.133 4.208 4.340 0.000 0.000 0.237 494 R C 0.415 176.621 176.300 -0.157 0.000 1.137 494 R CA 2.370 58.401 56.100 -0.114 0.000 0.951 494 R CB -0.329 29.925 30.300 -0.077 0.000 0.851 494 R HN 0.699 nan 8.270 nan 0.000 0.434 495 D N -2.977 117.311 120.400 -0.186 0.000 2.825 495 D HA 0.009 4.650 4.640 0.000 0.000 0.327 495 D C 0.406 176.539 176.300 -0.279 0.000 1.277 495 D CA -0.539 53.334 54.000 -0.212 0.000 0.950 495 D CB -0.154 40.545 40.800 -0.169 0.000 1.438 495 D HN -0.025 nan 8.370 nan 0.000 0.526 496 L N 0.490 121.532 121.223 -0.301 0.000 2.012 496 L HA -0.090 4.250 4.340 0.000 0.000 0.210 496 L C 2.136 178.763 176.870 -0.405 0.000 1.073 496 L CA 2.148 56.720 54.840 -0.447 0.000 0.748 496 L CB -0.688 41.075 42.059 -0.493 0.000 0.891 496 L HN 0.650 nan 8.230 nan 0.000 0.431 497 K N -0.566 119.668 120.400 -0.278 0.000 2.063 497 K HA -0.258 4.062 4.320 0.000 0.000 0.208 497 K C 2.099 178.597 176.600 -0.171 0.000 1.048 497 K CA 2.038 58.200 56.287 -0.209 0.000 0.928 497 K CB -0.198 32.215 32.500 -0.144 0.000 0.713 497 K HN 0.546 nan 8.250 nan 0.000 0.442 498 E N 0.251 120.353 120.200 -0.162 0.000 2.112 498 E HA -0.143 4.207 4.350 0.000 0.000 0.190 498 E C 2.065 178.630 176.600 -0.057 0.000 0.979 498 E CA 0.703 57.050 56.400 -0.089 0.000 0.814 498 E CB -0.006 29.641 29.700 -0.088 0.000 0.762 498 E HN 0.347 nan 8.360 nan 0.000 0.460 499 M N 0.482 119.938 119.600 -0.240 0.000 2.065 499 M HA -0.208 4.272 4.480 0.000 0.000 0.259 499 M C 1.992 178.286 176.300 -0.009 0.000 1.069 499 M CA 1.559 56.658 55.300 -0.335 0.000 1.110 499 M CB -0.001 32.233 32.600 -0.610 0.000 1.328 499 M HN 0.094 nan 8.290 nan 0.000 0.405 500 L N -0.187 120.940 121.223 -0.161 0.000 2.156 500 L HA -0.061 4.279 4.340 0.000 0.000 0.208 500 L C 2.499 179.382 176.870 0.021 0.000 1.095 500 L CA 0.823 55.615 54.840 -0.080 0.000 0.770 500 L CB -0.751 41.172 42.059 -0.227 0.000 0.914 500 L HN 0.407 nan 8.230 nan 0.000 0.439 501 A N -0.239 122.584 122.820 0.006 0.000 2.206 501 A HA 0.230 4.550 4.320 0.000 0.000 0.211 501 A C 1.491 179.103 177.584 0.046 0.000 1.158 501 A CA 0.862 52.909 52.037 0.017 0.000 0.761 501 A CB -0.545 18.451 19.000 -0.007 0.000 0.801 501 A HN 0.382 nan 8.150 nan 0.000 0.473 502 G N -0.164 108.713 108.800 0.128 0.000 2.945 502 G HA2 0.391 4.351 3.960 0.000 0.000 0.156 502 G HA3 0.391 4.351 3.960 0.000 0.000 0.156 502 G C -0.205 174.633 174.900 -0.103 0.000 1.375 502 G CA 0.515 45.647 45.100 0.054 0.000 1.039 502 G HN 0.305 nan 8.290 nan 0.000 0.586 503 D N -0.956 119.155 120.400 -0.482 0.000 2.891 503 D HA 0.221 4.861 4.640 0.000 0.000 0.332 503 D C -0.208 175.779 176.300 -0.522 0.000 1.369 503 D CA -0.444 53.294 54.000 -0.438 0.000 0.827 503 D CB -0.192 40.364 40.800 -0.408 0.000 1.141 503 D HN 0.209 nan 8.370 nan 0.000 0.464 504 F N 0.083 120.011 119.950 -0.037 0.000 2.721 504 F HA 0.281 4.808 4.527 0.001 0.000 0.301 504 F C 1.359 177.099 175.800 -0.100 0.000 1.096 504 F CA -0.804 57.181 58.000 -0.024 0.000 1.308 504 F CB 0.248 39.248 39.000 0.001 0.000 1.086 504 F HN -0.139 nan 8.300 nan 0.000 0.587 505 R N 1.368 121.786 120.500 -0.136 0.000 2.449 505 R HA 0.098 4.438 4.340 0.000 0.000 0.296 505 R C 0.774 176.894 176.300 -0.300 0.000 1.047 505 R CA 1.015 56.771 56.100 -0.573 0.000 1.018 505 R CB 0.387 30.353 30.300 -0.557 0.000 0.962 505 R HN 0.236 nan 8.270 nan 0.000 0.428 506 T N 0.287 114.679 114.554 -0.270 0.000 3.004 506 T HA 0.398 4.749 4.350 0.000 0.000 0.266 506 T C 0.527 175.197 174.700 -0.050 0.000 0.986 506 T CA 0.012 62.047 62.100 -0.108 0.000 0.902 506 T CB 0.956 69.804 68.868 -0.033 0.000 1.118 506 T HN 0.661 nan 8.240 nan 0.000 0.522 507 G N 0.439 109.191 108.800 -0.081 0.000 2.342 507 G HA2 0.513 4.473 3.960 0.000 0.000 0.297 507 G HA3 0.513 4.473 3.960 0.000 0.000 0.297 507 G C -2.396 172.499 174.900 -0.008 0.000 1.313 507 G CA -0.940 44.160 45.100 -0.001 0.000 0.830 507 G HN 0.358 nan 8.290 nan 0.000 0.506 508 K N 0.033 120.460 120.400 0.044 0.000 2.535 508 K HA 0.634 4.954 4.320 0.000 0.000 0.250 508 K C -0.681 175.973 176.600 0.089 0.000 0.948 508 K CA -0.714 55.606 56.287 0.055 0.000 0.796 508 K CB 1.359 33.886 32.500 0.045 0.000 1.216 508 K HN 0.481 nan 8.250 nan 0.000 0.432 509 I N 6.575 127.206 120.570 0.102 0.000 2.517 509 I HA 0.020 4.190 4.170 0.000 0.000 0.285 509 I C 0.810 176.983 176.117 0.094 0.000 1.106 509 I CA 0.044 61.415 61.300 0.119 0.000 1.402 509 I CB 0.491 38.580 38.000 0.147 0.000 1.399 509 I HN 0.640 nan 8.210 nan 0.000 0.535 510 L N 6.195 127.470 121.223 0.088 0.000 2.357 510 L HA 0.417 4.757 4.340 0.000 0.000 0.211 510 L C 0.799 177.721 176.870 0.087 0.000 1.075 510 L CA 0.238 55.131 54.840 0.088 0.000 0.830 510 L CB -0.001 42.118 42.059 0.099 0.000 0.996 510 L HN 0.778 nan 8.230 nan 0.000 0.467 511 A N 0.196 123.046 122.820 0.050 0.000 2.594 511 A HA 0.658 4.978 4.320 0.000 0.000 0.296 511 A C -1.779 175.723 177.584 -0.136 0.000 1.056 511 A CA -0.490 51.580 52.037 0.055 0.000 0.693 511 A CB 1.535 20.678 19.000 0.238 0.000 1.278 511 A HN 0.099 nan 8.150 nan 0.000 0.408 512 Q N 0.180 119.921 119.800 -0.097 0.000 2.527 512 Q HA 0.792 5.133 4.340 0.000 0.000 0.280 512 Q C -0.427 175.535 176.000 -0.064 0.000 0.977 512 Q CA -0.110 55.545 55.803 -0.246 0.000 0.837 512 Q CB 0.978 29.388 28.738 -0.548 0.000 1.454 512 Q HN 2.449 nan 8.270 nan 0.000 0.387 513 G N 0.192 109.012 108.800 0.034 0.000 2.328 513 G HA2 0.555 4.515 3.960 0.000 0.000 0.295 513 G HA3 0.555 4.515 3.960 0.000 0.000 0.295 513 G C -1.976 173.018 174.900 0.156 0.000 1.413 513 G CA -0.346 44.745 45.100 -0.016 0.000 0.817 513 G HN 1.157 nan 8.290 nan 0.000 0.546 514 F N -1.464 118.460 119.950 -0.044 0.000 2.631 514 F HA 0.975 5.502 4.527 0.000 0.000 0.308 514 F C 0.305 175.811 175.800 -0.490 0.000 1.097 514 F CA -0.564 57.238 58.000 -0.330 0.000 0.952 514 F CB 1.665 40.556 39.000 -0.181 0.000 1.307 514 F HN 1.609 nan 8.300 nan 0.000 0.450 515 G N 0.250 108.613 108.800 -0.729 0.000 2.335 515 G HA2 0.408 4.369 3.960 0.000 0.000 0.291 515 G HA3 0.408 4.369 3.960 0.000 0.000 0.291 515 G C -3.068 171.496 174.900 -0.559 0.000 1.261 515 G CA -0.456 44.347 45.100 -0.495 0.000 0.871 515 G HN 0.428 nan 8.290 nan 0.000 0.491 516 P HA 0.112 nan 4.420 nan 0.000 0.231 516 P C -0.090 177.114 177.300 -0.159 0.000 1.168 516 P CA 0.808 63.714 63.100 -0.323 0.000 0.779 516 P CB 0.404 31.809 31.700 -0.491 0.000 0.844 517 D N 0.013 120.351 120.400 -0.103 0.000 2.210 517 D HA 0.042 4.682 4.640 0.000 0.000 0.249 517 D C 0.651 176.972 176.300 0.035 0.000 1.062 517 D CA -0.379 53.607 54.000 -0.022 0.000 0.891 517 D CB 1.147 41.948 40.800 0.002 0.000 1.186 517 D HN -0.228 nan 8.370 nan 0.000 0.432 518 N N 2.028 120.769 118.700 0.069 0.000 2.331 518 N HA -0.183 4.557 4.740 0.000 0.000 0.180 518 N C 1.461 177.085 175.510 0.191 0.000 1.019 518 N CA 1.077 54.229 53.050 0.170 0.000 0.881 518 N CB 0.264 38.824 38.487 0.122 0.000 0.972 518 N HN 0.326 nan 8.380 nan 0.000 0.435 519 Q N -0.451 119.418 119.800 0.116 0.000 2.123 519 Q HA 0.064 4.405 4.340 0.000 0.000 0.196 519 Q C -0.103 175.949 176.000 0.087 0.000 0.958 519 Q CA 1.107 56.974 55.803 0.107 0.000 0.841 519 Q CB 0.296 29.090 28.738 0.093 0.000 0.915 519 Q HN 0.316 nan 8.270 nan 0.000 0.455 520 T N -0.841 113.753 114.554 0.066 0.000 3.504 520 T HA 0.468 4.818 4.350 0.000 0.000 0.286 520 T C -2.811 171.907 174.700 0.030 0.000 1.530 520 T CA -1.925 60.204 62.100 0.049 0.000 1.652 520 T CB 0.953 69.854 68.868 0.054 0.000 0.895 520 T HN 0.013 nan 8.240 nan 0.000 0.674 521 P HA 0.252 nan 4.420 nan 0.000 0.268 521 P C 0.074 177.360 177.300 -0.023 0.000 1.204 521 P CA 0.017 63.101 63.100 -0.026 0.000 0.768 521 P CB 0.989 32.700 31.700 0.019 0.000 0.842 522 D N 1.133 121.505 120.400 -0.047 0.000 2.183 522 D HA -0.041 4.599 4.640 0.000 0.000 0.203 522 D C 0.578 176.968 176.300 0.149 0.000 0.969 522 D CA 1.620 55.660 54.000 0.067 0.000 0.842 522 D CB -0.199 40.685 40.800 0.140 0.000 0.957 522 D HN 0.550 nan 8.370 nan 0.000 0.484 523 Y N -2.564 117.808 120.300 0.119 0.000 2.581 523 Y HA 0.690 5.240 4.550 0.000 0.000 0.345 523 Y C -0.870 175.202 175.900 0.288 0.000 1.036 523 Y CA -1.195 57.006 58.100 0.169 0.000 1.042 523 Y CB 1.174 39.709 38.460 0.125 0.000 1.289 523 Y HN -0.420 nan 8.280 nan 0.000 0.471 524 T N 2.683 117.537 114.554 0.500 0.000 2.879 524 T HA 0.346 4.696 4.350 0.000 0.000 0.290 524 T C -2.155 172.897 174.700 0.586 0.000 0.993 524 T CA -0.531 61.844 62.100 0.457 0.000 0.975 524 T CB 0.792 69.834 68.868 0.290 0.000 0.981 524 T HN 0.661 nan 8.240 nan 0.000 0.439 525 Y N 3.750 124.297 120.300 0.412 0.000 2.446 525 Y HA 0.823 5.373 4.550 0.000 0.000 0.345 525 Y C -1.733 174.333 175.900 0.277 0.000 0.984 525 Y CA -1.818 56.498 58.100 0.360 0.000 1.058 525 Y CB 1.298 39.964 38.460 0.343 0.000 1.220 525 Y HN 0.637 nan 8.280 nan 0.000 0.455 526 L N 5.547 126.550 121.223 -0.367 0.000 2.545 526 L HA 0.597 4.937 4.340 0.000 0.000 0.258 526 L C -2.016 174.740 176.870 -0.191 0.000 0.942 526 L CA -0.559 54.105 54.840 -0.294 0.000 0.855 526 L CB 2.187 44.316 42.059 0.117 0.000 1.374 526 L HN 0.732 nan 8.230 nan 0.000 0.411 527 K N 2.758 123.055 120.400 -0.172 0.000 2.513 527 K HA 0.845 5.166 4.320 0.000 0.000 0.251 527 K C -1.308 175.346 176.600 0.089 0.000 0.939 527 K CA -0.386 55.904 56.287 0.004 0.000 0.793 527 K CB 2.050 34.574 32.500 0.041 0.000 1.241 527 K HN 0.885 nan 8.250 nan 0.000 0.431 528 G N 2.009 110.880 108.800 0.117 0.000 2.638 528 G HA2 0.221 4.181 3.960 0.000 0.000 0.302 528 G HA3 0.221 4.181 3.960 0.000 0.000 0.302 528 G C -1.669 173.287 174.900 0.095 0.000 1.365 528 G CA -0.469 44.710 45.100 0.132 0.000 0.987 528 G HN 0.590 nan 8.290 nan 0.000 0.495 529 D N 1.961 122.412 120.400 0.085 0.000 2.347 529 D HA 0.148 4.788 4.640 0.000 0.000 0.235 529 D C 1.320 177.669 176.300 0.082 0.000 1.149 529 D CA -0.414 53.626 54.000 0.066 0.000 0.850 529 D CB 1.062 41.893 40.800 0.052 0.000 1.061 529 D HN 0.398 nan 8.370 nan 0.000 0.487 530 I N 0.828 121.461 120.570 0.105 0.000 3.941 530 I HA 0.070 4.241 4.170 0.000 0.000 0.335 530 I C 1.232 177.470 176.117 0.201 0.000 1.402 530 I CA -0.436 60.956 61.300 0.154 0.000 1.112 530 I CB 0.095 38.224 38.000 0.213 0.000 1.043 530 I HN 0.035 nan 8.210 nan 0.000 0.395 531 T N 2.047 116.679 114.554 0.129 0.000 2.649 531 T HA -0.277 4.073 4.350 0.000 0.000 0.268 531 T C 2.094 176.884 174.700 0.150 0.000 1.036 531 T CA 2.210 64.385 62.100 0.126 0.000 1.157 531 T CB -0.291 68.602 68.868 0.041 0.000 0.861 531 T HN 0.640 nan 8.240 nan 0.000 0.445 532 A N 1.250 124.109 122.820 0.066 0.000 2.070 532 A HA 0.277 4.597 4.320 0.000 0.000 0.220 532 A C 2.614 180.189 177.584 -0.016 0.000 1.159 532 A CA 1.497 53.538 52.037 0.005 0.000 0.656 532 A CB -0.934 18.033 19.000 -0.055 0.000 0.800 532 A HN 0.548 nan 8.150 nan 0.000 0.453 533 A N -1.471 121.351 122.820 0.002 0.000 2.076 533 A HA 0.122 4.442 4.320 0.000 0.000 0.220 533 A C 0.830 178.225 177.584 -0.315 0.000 1.160 533 A CA 0.823 52.756 52.037 -0.173 0.000 0.653 533 A CB -0.407 18.439 19.000 -0.256 0.000 0.801 533 A HN 0.520 nan 8.150 nan 0.000 0.455 534 Y N -0.685 119.586 120.300 -0.048 0.000 2.596 534 Y HA 0.475 5.025 4.550 0.000 0.000 0.326 534 Y C 1.244 177.084 175.900 -0.100 0.000 1.167 534 Y CA -0.579 57.483 58.100 -0.063 0.000 1.246 534 Y CB 0.793 39.234 38.460 -0.031 0.000 1.347 534 Y HN 0.160 nan 8.280 nan 0.000 0.515 535 S N 0.100 115.822 115.700 0.037 0.000 2.625 535 S HA 0.396 4.867 4.470 0.000 0.000 0.262 535 S C 1.234 175.826 174.600 -0.014 0.000 1.223 535 S CA -0.226 57.934 58.200 -0.067 0.000 0.993 535 S CB 0.472 63.567 63.200 -0.175 0.000 1.051 535 S HN 0.830 nan 8.310 nan 0.000 0.562 536 A N 0.423 123.221 122.820 -0.037 0.000 2.225 536 A HA -0.052 4.268 4.320 0.000 0.000 0.215 536 A C 2.064 179.673 177.584 0.042 0.000 1.164 536 A CA 1.331 53.365 52.037 -0.005 0.000 0.710 536 A CB -1.098 17.892 19.000 -0.017 0.000 0.780 536 A HN 0.925 nan 8.150 nan 0.000 0.473 537 K N 0.054 120.488 120.400 0.056 0.000 2.281 537 K HA -0.058 4.262 4.320 0.000 0.000 0.203 537 K C 0.383 177.081 176.600 0.164 0.000 1.046 537 K CA 1.372 57.766 56.287 0.179 0.000 0.938 537 K CB -0.876 31.628 32.500 0.006 0.000 0.737 537 K HN 0.443 nan 8.250 nan 0.000 0.458 538 V N -1.669 118.280 119.914 0.058 0.000 2.715 538 V HA 0.330 4.450 4.120 0.000 0.000 0.310 538 V C 0.414 176.502 176.094 -0.010 0.000 1.054 538 V CA -1.143 61.157 62.300 -0.000 0.000 0.928 538 V CB 1.986 33.749 31.823 -0.100 0.000 1.007 538 V HN 0.017 nan 8.190 nan 0.000 0.437 539 K N 0.891 121.274 120.400 -0.029 0.000 2.242 539 K HA 0.301 4.622 4.320 0.000 0.000 0.200 539 K C 0.393 176.972 176.600 -0.035 0.000 1.050 539 K CA 0.725 56.994 56.287 -0.029 0.000 0.981 539 K CB 0.554 33.033 32.500 -0.035 0.000 0.795 539 K HN 0.884 nan 8.250 nan 0.000 0.477 540 E N 0.725 120.890 120.200 -0.058 0.000 2.343 540 E HA 0.206 4.556 4.350 0.000 0.000 0.286 540 E C -1.896 174.646 176.600 -0.097 0.000 0.915 540 E CA -0.487 55.878 56.400 -0.059 0.000 0.784 540 E CB 2.017 31.686 29.700 -0.053 0.000 1.251 540 E HN -0.206 nan 8.360 nan 0.000 0.407 541 V N 4.219 124.088 119.914 -0.074 0.000 2.483 541 V HA 0.541 4.661 4.120 0.000 0.000 0.297 541 V C -0.469 175.601 176.094 -0.041 0.000 1.027 541 V CA -0.775 61.467 62.300 -0.096 0.000 0.855 541 V CB 1.681 33.418 31.823 -0.144 0.000 0.995 541 V HN 0.572 nan 8.190 nan 0.000 0.424 542 K N 3.451 123.807 120.400 -0.074 0.000 2.464 542 K HA 0.758 5.079 4.320 0.000 0.000 0.253 542 K C -0.979 175.557 176.600 -0.106 0.000 0.933 542 K CA -0.975 55.279 56.287 -0.054 0.000 0.801 542 K CB 3.386 35.860 32.500 -0.043 0.000 1.271 542 K HN 0.677 nan 8.250 nan 0.000 0.430 543 R N 0.990 121.429 120.500 -0.102 0.000 2.574 543 R HA 0.365 4.705 4.340 0.000 0.000 0.288 543 R C -1.497 174.640 176.300 -0.270 0.000 1.004 543 R CA -0.360 55.596 56.100 -0.240 0.000 0.895 543 R CB 1.763 31.876 30.300 -0.312 0.000 1.191 543 R HN 0.547 nan 8.270 nan 0.000 0.444 544 S N 4.319 119.860 115.700 -0.265 0.000 2.552 544 S HA 0.510 4.980 4.470 0.000 0.000 0.314 544 S C -1.198 173.368 174.600 -0.056 0.000 1.099 544 S CA -0.496 57.680 58.200 -0.041 0.000 1.070 544 S CB 0.544 63.839 63.200 0.158 0.000 0.998 544 S HN 0.389 nan 8.310 nan 0.000 0.474 545 F N 2.298 122.377 119.950 0.216 0.000 2.421 545 F HA 0.642 5.169 4.527 0.001 0.000 0.337 545 F C -0.058 175.963 175.800 0.369 0.000 1.105 545 F CA -0.948 57.188 58.000 0.227 0.000 1.049 545 F CB 1.024 40.132 39.000 0.180 0.000 1.139 545 F HN 0.329 nan 8.300 nan 0.000 0.479 546 L N 4.615 126.163 121.223 0.541 0.000 2.457 546 L HA 0.445 4.785 4.340 0.000 0.000 0.266 546 L C -1.482 175.623 176.870 0.392 0.000 0.979 546 L CA -0.501 54.639 54.840 0.502 0.000 0.857 546 L CB 0.757 43.063 42.059 0.412 0.000 1.213 546 L HN 0.577 nan 8.230 nan 0.000 0.418 547 F N 5.486 125.593 119.950 0.262 0.000 2.404 547 F HA 0.643 5.170 4.527 0.000 0.000 0.345 547 F C -1.145 174.757 175.800 0.170 0.000 1.110 547 F CA -0.403 57.701 58.000 0.173 0.000 1.130 547 F CB 0.838 39.919 39.000 0.134 0.000 1.129 547 F HN 0.262 nan 8.300 nan 0.000 0.500 548 L N 5.817 126.717 121.223 -0.538 0.000 2.322 548 L HA 0.322 4.662 4.340 0.000 0.000 0.281 548 L C -0.391 176.056 176.870 -0.704 0.000 1.014 548 L CA -0.908 53.703 54.840 -0.380 0.000 0.815 548 L CB 1.376 43.300 42.059 -0.225 0.000 1.247 548 L HN 0.588 nan 8.230 nan 0.000 0.421 549 N N 3.940 122.471 118.700 -0.282 0.000 2.521 549 N HA 0.173 4.913 4.740 0.000 0.000 0.236 549 N C 0.453 175.900 175.510 -0.105 0.000 1.067 549 N CA -0.124 52.836 53.050 -0.150 0.000 0.939 549 N CB 0.738 39.273 38.487 0.080 0.000 1.201 549 N HN 0.624 nan 8.380 nan 0.000 0.511 550 L N 2.425 123.560 121.223 -0.147 0.000 2.700 550 L HA 0.020 4.361 4.340 0.000 0.000 0.240 550 L C 0.659 177.502 176.870 -0.045 0.000 1.162 550 L CA 0.062 54.839 54.840 -0.105 0.000 0.874 550 L CB -0.435 41.547 42.059 -0.128 0.000 1.001 550 L HN 0.370 nan 8.230 nan 0.000 0.447 551 K N 1.441 121.828 120.400 -0.021 0.000 3.311 551 K HA -0.236 4.084 4.320 0.000 0.000 0.270 551 K C -0.371 176.236 176.600 0.012 0.000 0.927 551 K CA 1.002 57.292 56.287 0.006 0.000 0.706 551 K CB -1.573 30.936 32.500 0.015 0.000 1.418 551 K HN 0.608 nan 8.250 nan 0.000 0.459 552 D N -2.491 117.917 120.400 0.012 0.000 2.931 552 D HA 0.509 5.149 4.640 0.000 0.000 0.215 552 D C 0.721 177.035 176.300 0.024 0.000 1.297 552 D CA 0.151 54.166 54.000 0.025 0.000 0.892 552 D CB 1.267 42.093 40.800 0.043 0.000 1.642 552 D HN -0.008 nan 8.370 nan 0.000 0.560 553 A N 3.944 126.784 122.820 0.032 0.000 1.908 553 A HA -0.165 4.155 4.320 0.000 0.000 0.218 553 A C 1.776 179.379 177.584 0.032 0.000 1.181 553 A CA 1.428 53.490 52.037 0.040 0.000 0.627 553 A CB -0.343 18.686 19.000 0.048 0.000 0.818 553 A HN 0.633 nan 8.150 nan 0.000 0.445 554 K N -1.180 119.234 120.400 0.023 0.000 2.057 554 K HA 0.026 4.346 4.320 0.000 0.000 0.206 554 K C -0.333 176.262 176.600 -0.008 0.000 1.050 554 K CA 1.203 57.495 56.287 0.008 0.000 0.935 554 K CB -0.006 32.487 32.500 -0.011 0.000 0.715 554 K HN 0.270 nan 8.250 nan 0.000 0.439 555 V N 2.448 122.363 119.914 0.003 0.000 2.443 555 V HA 0.105 4.225 4.120 0.000 0.000 0.272 555 V C -2.155 173.924 176.094 -0.025 0.000 1.002 555 V CA -1.052 61.245 62.300 -0.005 0.000 0.840 555 V CB 1.528 33.399 31.823 0.079 0.000 1.042 555 V HN 0.067 nan 8.190 nan 0.000 0.446 556 P HA 0.214 nan 4.420 nan 0.000 0.235 556 P C 0.343 177.559 177.300 -0.139 0.000 1.177 556 P CA 0.707 63.738 63.100 -0.115 0.000 0.785 556 P CB 1.090 32.696 31.700 -0.156 0.000 0.885 557 A N -1.035 121.679 122.820 -0.177 0.000 2.610 557 A HA 0.744 5.064 4.320 0.000 0.000 0.291 557 A C -1.557 175.884 177.584 -0.239 0.000 1.086 557 A CA -0.222 51.654 52.037 -0.268 0.000 0.677 557 A CB 1.385 20.261 19.000 -0.207 0.000 1.278 557 A HN 0.156 nan 8.150 nan 0.000 0.414 558 A N 0.548 123.142 122.820 -0.376 0.000 2.569 558 A HA 0.920 5.241 4.320 0.000 0.000 0.290 558 A C -0.926 176.546 177.584 -0.188 0.000 1.136 558 A CA -0.293 51.626 52.037 -0.196 0.000 0.710 558 A CB 1.583 20.499 19.000 -0.139 0.000 1.303 558 A HN 1.722 nan 8.150 nan 0.000 0.413 559 M N 1.476 121.079 119.600 0.006 0.000 2.224 559 M HA 0.573 5.054 4.480 0.000 0.000 0.281 559 M C -2.194 174.161 176.300 0.091 0.000 1.025 559 M CA -0.431 54.938 55.300 0.116 0.000 0.954 559 M CB 1.143 33.878 32.600 0.226 0.000 1.639 559 M HN 0.603 nan 8.290 nan 0.000 0.461 560 I N 4.974 125.628 120.570 0.139 0.000 2.359 560 I HA 0.491 4.661 4.170 0.000 0.000 0.294 560 I C -0.783 175.438 176.117 0.173 0.000 0.987 560 I CA -0.687 60.704 61.300 0.151 0.000 1.225 560 I CB 1.772 39.896 38.000 0.206 0.000 1.366 560 I HN 0.361 nan 8.210 nan 0.000 0.466 561 V N 6.672 126.641 119.914 0.091 0.000 2.487 561 V HA 0.415 4.536 4.120 0.000 0.000 0.298 561 V C -0.944 175.177 176.094 0.044 0.000 1.028 561 V CA -0.722 61.598 62.300 0.033 0.000 0.860 561 V CB 1.800 33.631 31.823 0.013 0.000 0.991 561 V HN 0.459 nan 8.190 nan 0.000 0.427 562 F N 4.115 123.885 119.950 -0.300 0.000 2.499 562 F HA 0.697 5.224 4.527 0.000 0.000 0.333 562 F C -0.682 174.988 175.800 -0.217 0.000 1.138 562 F CA -0.662 57.107 58.000 -0.384 0.000 0.945 562 F CB 1.370 39.742 39.000 -1.047 0.000 1.181 562 F HN 0.490 nan 8.300 nan 0.000 0.435 563 D N 4.927 124.984 120.400 -0.572 0.000 2.457 563 D HA 0.299 4.939 4.640 0.000 0.000 0.240 563 D C -1.233 174.767 176.300 -0.501 0.000 1.041 563 D CA -0.587 53.186 54.000 -0.378 0.000 0.861 563 D CB 2.566 43.371 40.800 0.008 0.000 1.394 563 D HN 0.488 nan 8.370 nan 0.000 0.473 564 K N 1.259 121.417 120.400 -0.403 0.000 2.413 564 K HA 0.509 4.829 4.320 0.000 0.000 0.257 564 K C -1.673 174.718 176.600 -0.349 0.000 0.946 564 K CA -0.632 55.353 56.287 -0.503 0.000 0.823 564 K CB 1.284 33.560 32.500 -0.373 0.000 1.109 564 K HN 0.152 nan 8.250 nan 0.000 0.427 565 V N 4.361 124.044 119.914 -0.385 0.000 2.443 565 V HA 0.377 4.497 4.120 0.000 0.000 0.293 565 V C -0.759 175.191 176.094 -0.240 0.000 1.021 565 V CA -0.966 61.192 62.300 -0.236 0.000 0.848 565 V CB 1.655 33.408 31.823 -0.116 0.000 0.998 565 V HN 0.486 nan 8.190 nan 0.000 0.424 566 V N 3.934 123.739 119.914 -0.181 0.000 2.407 566 V HA 0.824 4.944 4.120 0.000 0.000 0.291 566 V C 0.406 176.447 176.094 -0.089 0.000 1.018 566 V CA -0.439 61.776 62.300 -0.141 0.000 0.842 566 V CB 1.606 33.353 31.823 -0.125 0.000 0.996 566 V HN 0.997 nan 8.190 nan 0.000 0.426 567 A N 3.309 126.089 122.820 -0.068 0.000 2.306 567 A HA 0.656 4.976 4.320 0.000 0.000 0.330 567 A C 1.095 178.643 177.584 -0.061 0.000 1.146 567 A CA -0.339 51.689 52.037 -0.016 0.000 0.827 567 A CB 1.152 20.177 19.000 0.041 0.000 1.178 567 A HN 0.762 nan 8.150 nan 0.000 0.490 568 S N 0.761 116.442 115.700 -0.031 0.000 2.515 568 S HA -0.015 4.455 4.470 0.000 0.000 0.231 568 S C 0.588 175.029 174.600 -0.265 0.000 0.987 568 S CA 0.855 59.000 58.200 -0.093 0.000 0.936 568 S CB -0.285 62.915 63.200 0.000 0.000 0.766 568 S HN 0.698 nan 8.310 nan 0.000 0.528 569 N N -0.103 118.311 118.700 -0.478 0.000 2.542 569 N HA 0.250 4.991 4.740 0.000 0.000 0.288 569 N C -2.866 172.347 175.510 -0.494 0.000 1.115 569 N CA -1.645 50.998 53.050 -0.678 0.000 0.924 569 N CB 1.773 39.406 38.487 -1.423 0.000 1.526 569 N HN -0.276 nan 8.380 nan 0.000 0.515 570 P HA -0.072 nan 4.420 nan 0.000 0.217 570 P C 0.195 177.437 177.300 -0.096 0.000 1.148 570 P CA 1.189 64.202 63.100 -0.145 0.000 0.828 570 P CB 0.371 32.008 31.700 -0.106 0.000 0.783 571 D N -1.715 118.606 120.400 -0.132 0.000 2.363 571 D HA 0.004 4.644 4.640 0.000 0.000 0.226 571 D C 0.355 176.787 176.300 0.220 0.000 1.020 571 D CA 0.256 54.265 54.000 0.015 0.000 0.892 571 D CB -0.443 40.367 40.800 0.017 0.000 0.900 571 D HN 0.287 nan 8.370 nan 0.000 0.531 572 F N 1.540 121.520 119.950 0.050 0.000 2.438 572 F HA 0.129 4.656 4.527 0.000 0.000 0.360 572 F C 1.259 177.131 175.800 0.120 0.000 1.118 572 F CA -0.925 57.131 58.000 0.094 0.000 1.164 572 F CB 0.592 39.624 39.000 0.053 0.000 1.131 572 F HN -0.476 nan 8.300 nan 0.000 0.527 573 K N 5.006 125.631 120.400 0.375 0.000 2.436 573 K HA 0.028 4.348 4.320 0.000 0.000 0.282 573 K C -0.278 176.460 176.600 0.229 0.000 1.044 573 K CA 0.124 56.547 56.287 0.226 0.000 1.028 573 K CB 0.501 33.167 32.500 0.276 0.000 0.919 573 K HN 0.527 nan 8.250 nan 0.000 0.474 574 K N 3.474 123.899 120.400 0.041 0.000 2.143 574 K HA 0.317 4.637 4.320 0.000 0.000 0.272 574 K C -0.822 175.762 176.600 -0.027 0.000 1.001 574 K CA -0.485 55.894 56.287 0.154 0.000 0.915 574 K CB 0.846 33.445 32.500 0.166 0.000 1.047 574 K HN 0.260 nan 8.250 nan 0.000 0.458 575 F N 1.007 121.148 119.950 0.318 0.000 2.551 575 F HA 0.348 4.875 4.527 0.000 0.000 0.316 575 F C -0.607 175.297 175.800 0.173 0.000 1.089 575 F CA -0.868 57.301 58.000 0.282 0.000 0.915 575 F CB 1.214 40.356 39.000 0.237 0.000 1.186 575 F HN 0.546 nan 8.300 nan 0.000 0.456 576 W N 5.346 126.626 121.300 -0.034 0.000 2.632 576 W HA 0.811 5.471 4.660 0.000 0.000 0.328 576 W C -2.058 174.454 176.519 -0.012 0.000 1.044 576 W CA -0.780 56.389 57.345 -0.293 0.000 1.225 576 W CB 1.193 30.058 29.460 -0.992 0.000 1.396 576 W HN 0.384 nan 8.180 nan 0.000 0.499 577 L N 7.080 128.024 121.223 -0.466 0.000 2.362 577 L HA 0.648 4.988 4.340 0.000 0.000 0.271 577 L C -1.167 175.319 176.870 -0.640 0.000 1.002 577 L CA -1.434 53.202 54.840 -0.339 0.000 0.818 577 L CB 1.694 43.662 42.059 -0.151 0.000 1.298 577 L HN 0.349 nan 8.230 nan 0.000 0.420 578 L N 2.685 123.712 121.223 -0.327 0.000 2.457 578 L HA 0.436 4.777 4.340 0.000 0.000 0.266 578 L C -0.666 176.163 176.870 -0.069 0.000 0.979 578 L CA 0.002 54.737 54.840 -0.176 0.000 0.857 578 L CB 0.906 43.013 42.059 0.079 0.000 1.213 578 L HN 0.457 nan 8.230 nan 0.000 0.418 579 H N 2.620 121.661 119.070 -0.049 0.000 2.525 579 H HA 0.692 5.249 4.556 0.001 0.000 0.339 579 H C -0.237 175.136 175.328 0.075 0.000 1.109 579 H CA 0.051 56.123 56.048 0.041 0.000 1.352 579 H CB 1.611 31.390 29.762 0.029 0.000 1.461 579 H HN 0.722 nan 8.280 nan 0.000 0.533 580 S N 1.677 117.509 115.700 0.220 0.000 2.651 580 S HA 0.371 4.841 4.470 0.000 0.000 0.279 580 S C 0.801 175.512 174.600 0.186 0.000 1.148 580 S CA -0.859 57.445 58.200 0.173 0.000 0.837 580 S CB 1.252 64.529 63.200 0.128 0.000 1.138 580 S HN 0.520 nan 8.310 nan 0.000 0.478 581 I N 0.771 121.419 120.570 0.129 0.000 2.206 581 I HA 0.056 4.226 4.170 0.000 0.000 0.239 581 I C 1.172 177.395 176.117 0.178 0.000 1.078 581 I CA 0.950 62.323 61.300 0.122 0.000 1.367 581 I CB -0.172 37.865 38.000 0.061 0.000 1.078 581 I HN 0.695 nan 8.210 nan 0.000 0.413 582 E N 0.704 120.961 120.200 0.094 0.000 2.280 582 E HA 0.142 4.493 4.350 0.000 0.000 0.261 582 E C -0.209 176.269 176.600 -0.203 0.000 1.088 582 E CA -0.587 55.826 56.400 0.022 0.000 0.915 582 E CB 0.530 30.212 29.700 -0.030 0.000 1.141 582 E HN 0.117 nan 8.360 nan 0.000 0.433 583 Q N 2.370 121.816 119.800 -0.589 0.000 2.289 583 Q HA 0.086 4.427 4.340 0.000 0.000 0.273 583 Q C -2.089 173.555 176.000 -0.593 0.000 1.029 583 Q CA -1.534 53.531 55.803 -1.231 0.000 0.896 583 Q CB 0.511 28.404 28.738 -1.409 0.000 1.182 583 Q HN 0.210 nan 8.270 nan 0.000 0.385 584 P HA 0.135 nan 4.420 nan 0.000 0.278 584 P C -1.061 176.114 177.300 -0.208 0.000 1.238 584 P CA -0.163 62.812 63.100 -0.209 0.000 0.794 584 P CB 1.004 32.653 31.700 -0.086 0.000 0.955 585 E N 2.265 122.393 120.200 -0.121 0.000 2.175 585 E HA 0.427 4.778 4.350 0.000 0.000 0.278 585 E C -0.160 176.414 176.600 -0.043 0.000 0.969 585 E CA -0.601 55.744 56.400 -0.093 0.000 0.796 585 E CB 1.427 31.081 29.700 -0.075 0.000 1.104 585 E HN 0.421 nan 8.360 nan 0.000 0.395 586 I N 2.463 123.013 120.570 -0.034 0.000 2.382 586 I HA 0.257 4.428 4.170 0.000 0.000 0.286 586 I C 0.192 176.306 176.117 -0.006 0.000 1.002 586 I CA -0.439 60.858 61.300 -0.004 0.000 1.135 586 I CB 1.182 39.188 38.000 0.010 0.000 1.288 586 I HN 0.095 nan 8.210 nan 0.000 0.448 587 K N 5.896 126.296 120.400 -0.000 0.000 2.621 587 K HA 0.537 4.857 4.320 0.000 0.000 0.233 587 K C 0.420 177.021 176.600 0.002 0.000 0.972 587 K CA -0.013 56.272 56.287 -0.002 0.000 0.988 587 K CB 1.068 33.564 32.500 -0.007 0.000 1.187 587 K HN 0.828 nan 8.250 nan 0.000 0.471 588 G N 3.768 112.570 108.800 0.003 0.000 2.596 588 G HA2 -0.423 3.537 3.960 0.000 0.000 0.304 588 G HA3 -0.423 3.537 3.960 0.000 0.000 0.304 588 G C 0.309 175.212 174.900 0.005 0.000 1.189 588 G CA 0.578 45.680 45.100 0.003 0.000 0.986 588 G HN 0.787 nan 8.290 nan 0.000 0.548 589 N N 1.464 120.165 118.700 0.001 0.000 2.370 589 N HA 0.159 4.899 4.740 0.000 0.000 0.198 589 N C 0.603 176.114 175.510 0.002 0.000 1.156 589 N CA 1.107 54.156 53.050 -0.003 0.000 0.839 589 N CB 0.550 39.031 38.487 -0.011 0.000 0.989 589 N HN 0.803 nan 8.380 nan 0.000 0.468 590 Q N 0.463 120.268 119.800 0.009 0.000 2.331 590 Q HA 0.552 4.892 4.340 0.000 0.000 0.267 590 Q C -1.266 174.751 176.000 0.027 0.000 1.006 590 Q CA -0.520 55.293 55.803 0.017 0.000 0.818 590 Q CB 1.565 30.309 28.738 0.011 0.000 1.276 590 Q HN 0.259 nan 8.270 nan 0.000 0.450 591 I N 2.998 123.596 120.570 0.047 0.000 2.362 591 I HA 0.371 4.541 4.170 0.000 0.000 0.289 591 I C -0.656 175.496 176.117 0.058 0.000 0.994 591 I CA -0.554 60.783 61.300 0.062 0.000 1.158 591 I CB 2.037 40.106 38.000 0.115 0.000 1.315 591 I HN 0.500 nan 8.210 nan 0.000 0.451 592 T N 7.181 121.753 114.554 0.029 0.000 2.809 592 T HA 0.584 4.934 4.350 0.000 0.000 0.296 592 T C -0.201 174.503 174.700 0.007 0.000 1.015 592 T CA -0.280 61.833 62.100 0.021 0.000 0.954 592 T CB 0.872 69.741 68.868 0.002 0.000 0.950 592 T HN 0.271 nan 8.240 nan 0.000 0.450 593 I N 3.306 123.893 120.570 0.030 0.000 2.404 593 I HA 0.467 4.637 4.170 0.000 0.000 0.293 593 I C 0.042 176.169 176.117 0.017 0.000 0.992 593 I CA -0.747 60.563 61.300 0.018 0.000 1.149 593 I CB 1.667 39.701 38.000 0.057 0.000 1.315 593 I HN 0.314 nan 8.210 nan 0.000 0.446 594 K N 5.546 125.941 120.400 -0.007 0.000 2.385 594 K HA 0.600 4.920 4.320 0.000 0.000 0.248 594 K C -0.877 175.716 176.600 -0.011 0.000 0.955 594 K CA -1.047 55.237 56.287 -0.005 0.000 0.816 594 K CB 2.245 34.735 32.500 -0.017 0.000 1.250 594 K HN 0.383 nan 8.250 nan 0.000 0.434 595 R N 1.189 121.680 120.500 -0.015 0.000 2.387 595 R HA 0.221 4.561 4.340 0.000 0.000 0.314 595 R C 0.091 176.376 176.300 -0.025 0.000 0.958 595 R CA -0.171 55.914 56.100 -0.025 0.000 0.846 595 R CB 1.612 31.881 30.300 -0.050 0.000 1.147 595 R HN 0.890 nan 8.270 nan 0.000 0.447 596 T N -1.163 113.379 114.554 -0.019 0.000 3.144 596 T HA 0.320 4.671 4.350 0.000 0.000 0.290 596 T C 0.163 174.857 174.700 -0.010 0.000 0.966 596 T CA -0.274 61.817 62.100 -0.016 0.000 0.907 596 T CB 0.500 69.359 68.868 -0.015 0.000 1.152 596 T HN 0.345 nan 8.240 nan 0.000 0.532 597 K N 1.250 121.645 120.400 -0.009 0.000 2.435 597 K HA 0.545 4.865 4.320 0.000 0.000 0.251 597 K C -0.295 176.305 176.600 0.001 0.000 0.954 597 K CA -1.064 55.223 56.287 -0.000 0.000 0.820 597 K CB 1.358 33.862 32.500 0.007 0.000 1.292 597 K HN -0.112 nan 8.250 nan 0.000 0.436 598 N N 0.287 118.991 118.700 0.007 0.000 2.800 598 N HA -0.222 4.518 4.740 0.000 0.000 0.250 598 N C 0.569 176.085 175.510 0.009 0.000 1.078 598 N CA 1.224 54.282 53.050 0.014 0.000 0.804 598 N CB -0.933 37.567 38.487 0.022 0.000 1.135 598 N HN 1.106 nan 8.380 nan 0.000 0.565 599 G N -0.638 108.161 108.800 -0.000 0.000 2.205 599 G HA2 -0.298 3.662 3.960 0.000 0.000 0.261 599 G HA3 -0.298 3.662 3.960 0.000 0.000 0.261 599 G C -0.178 174.708 174.900 -0.025 0.000 0.980 599 G CA 0.632 45.728 45.100 -0.006 0.000 0.632 599 G HN 0.493 nan 8.290 nan 0.000 0.533 600 D N 0.309 120.688 120.400 -0.036 0.000 2.362 600 D HA 0.540 5.180 4.640 0.000 0.000 0.242 600 D C 1.151 177.403 176.300 -0.081 0.000 1.132 600 D CA 0.921 54.871 54.000 -0.083 0.000 0.907 600 D CB 1.293 42.037 40.800 -0.093 0.000 1.195 600 D HN 0.655 nan 8.370 nan 0.000 0.429 601 S N -1.056 114.575 115.700 -0.115 0.000 2.865 601 S HA 0.345 4.815 4.470 0.000 0.000 0.240 601 S C 0.457 175.023 174.600 -0.055 0.000 0.795 601 S CA -0.724 57.434 58.200 -0.069 0.000 1.073 601 S CB -0.106 63.067 63.200 -0.045 0.000 1.393 601 S HN 0.447 nan 8.310 nan 0.000 0.491 602 G N 1.361 110.111 108.800 -0.084 0.000 2.616 602 G HA2 0.628 4.588 3.960 0.000 0.000 0.268 602 G HA3 0.628 4.588 3.960 0.000 0.000 0.268 602 G C -0.656 174.295 174.900 0.085 0.000 1.213 602 G CA -0.679 44.446 45.100 0.041 0.000 0.926 602 G HN 0.568 nan 8.290 nan 0.000 0.523 603 M N 0.468 120.158 119.600 0.150 0.000 2.277 603 M HA 0.492 4.973 4.480 0.000 0.000 0.282 603 M C -1.875 174.482 176.300 0.094 0.000 1.074 603 M CA -0.702 54.652 55.300 0.091 0.000 0.954 603 M CB 2.067 34.708 32.600 0.069 0.000 1.672 603 M HN 0.491 nan 8.290 nan 0.000 0.471 604 L N 5.768 127.044 121.223 0.089 0.000 2.322 604 L HA 0.850 5.190 4.340 0.000 0.000 0.281 604 L C -1.796 175.129 176.870 0.092 0.000 1.014 604 L CA -0.631 54.272 54.840 0.105 0.000 0.815 604 L CB 1.781 43.926 42.059 0.143 0.000 1.247 604 L HN 0.590 nan 8.230 nan 0.000 0.421 605 V N 4.118 124.084 119.914 0.087 0.000 2.443 605 V HA 0.371 4.492 4.120 0.000 0.000 0.293 605 V C -0.595 175.553 176.094 0.090 0.000 1.021 605 V CA -0.654 61.691 62.300 0.075 0.000 0.848 605 V CB 1.699 33.551 31.823 0.048 0.000 0.998 605 V HN 0.804 nan 8.190 nan 0.000 0.424 606 N N 2.579 121.343 118.700 0.106 0.000 2.419 606 N HA 0.401 5.142 4.740 0.000 0.000 0.277 606 N C -0.409 175.132 175.510 0.052 0.000 1.006 606 N CA -0.125 52.990 53.050 0.108 0.000 0.923 606 N CB 1.519 40.115 38.487 0.181 0.000 1.140 606 N HN 0.629 nan 8.380 nan 0.000 0.488 607 T N 2.527 117.097 114.554 0.026 0.000 2.738 607 T HA 0.467 4.817 4.350 0.000 0.000 0.298 607 T C -0.060 174.617 174.700 -0.037 0.000 0.962 607 T CA -0.514 61.586 62.100 -0.001 0.000 0.972 607 T CB 0.613 69.481 68.868 0.001 0.000 0.928 607 T HN 0.610 nan 8.240 nan 0.000 0.474 608 A N 4.532 127.320 122.820 -0.052 0.000 2.410 608 A HA 0.447 4.767 4.320 0.000 0.000 0.292 608 A C 1.048 178.596 177.584 -0.060 0.000 1.232 608 A CA -0.374 51.607 52.037 -0.093 0.000 0.893 608 A CB -0.274 18.672 19.000 -0.090 0.000 1.131 608 A HN 0.975 nan 8.150 nan 0.000 0.530 609 L N 2.370 123.558 121.223 -0.058 0.000 2.286 609 L HA 0.273 4.613 4.340 0.000 0.000 0.203 609 L C 0.241 177.092 176.870 -0.031 0.000 1.068 609 L CA 0.639 55.457 54.840 -0.037 0.000 0.811 609 L CB -0.160 41.880 42.059 -0.031 0.000 0.989 609 L HN 0.518 nan 8.230 nan 0.000 0.467 610 L N 0.877 122.085 121.223 -0.024 0.000 2.386 610 L HA 0.442 4.783 4.340 0.000 0.000 0.271 610 L C -2.465 174.374 176.870 -0.052 0.000 0.993 610 L CA -1.925 52.903 54.840 -0.020 0.000 0.819 610 L CB 2.522 44.603 42.059 0.038 0.000 1.294 610 L HN -0.222 nan 8.230 nan 0.000 0.414 611 P HA 0.044 nan 4.420 nan 0.000 0.272 611 P C -1.144 176.126 177.300 -0.049 0.000 1.223 611 P CA -0.320 62.728 63.100 -0.086 0.000 0.784 611 P CB 0.549 32.174 31.700 -0.126 0.000 0.923 612 D N 1.096 121.473 120.400 -0.038 0.000 2.371 612 D HA 0.009 4.649 4.640 0.000 0.000 0.242 612 D C 1.297 177.582 176.300 -0.024 0.000 1.218 612 D CA -0.389 53.594 54.000 -0.028 0.000 0.945 612 D CB 0.395 41.181 40.800 -0.024 0.000 1.137 612 D HN 0.331 nan 8.370 nan 0.000 0.464 613 A N 0.918 123.727 122.820 -0.018 0.000 1.958 613 A HA -0.154 4.167 4.320 0.000 0.000 0.221 613 A C 2.206 179.784 177.584 -0.011 0.000 1.178 613 A CA 2.872 54.902 52.037 -0.012 0.000 0.642 613 A CB -1.111 17.884 19.000 -0.009 0.000 0.816 613 A HN 0.753 nan 8.150 nan 0.000 0.453 614 A N -1.198 121.615 122.820 -0.013 0.000 2.119 614 A HA -0.027 4.293 4.320 0.000 0.000 0.216 614 A C 1.706 179.281 177.584 -0.015 0.000 1.152 614 A CA 1.635 53.665 52.037 -0.012 0.000 0.708 614 A CB -0.353 18.641 19.000 -0.011 0.000 0.805 614 A HN 0.534 nan 8.150 nan 0.000 0.460 615 N N -0.953 117.734 118.700 -0.022 0.000 2.177 615 N HA 0.078 4.819 4.740 0.000 0.000 0.218 615 N C -0.239 175.251 175.510 -0.033 0.000 1.182 615 N CA 0.459 53.490 53.050 -0.030 0.000 0.882 615 N CB 0.377 38.839 38.487 -0.041 0.000 1.052 615 N HN 0.179 nan 8.380 nan 0.000 0.519 616 S N -0.166 115.522 115.700 -0.020 0.000 2.437 616 S HA 0.444 4.914 4.470 0.000 0.000 0.305 616 S C -1.107 173.501 174.600 0.013 0.000 1.109 616 S CA -0.735 57.462 58.200 -0.005 0.000 1.099 616 S CB 0.292 63.489 63.200 -0.006 0.000 1.004 616 S HN 0.117 nan 8.310 nan 0.000 0.475 617 N N 4.627 123.345 118.700 0.029 0.000 2.469 617 N HA 0.439 5.180 4.740 0.000 0.000 0.253 617 N C -0.991 174.562 175.510 0.072 0.000 0.970 617 N CA -0.245 52.829 53.050 0.041 0.000 0.940 617 N CB 1.078 39.585 38.487 0.034 0.000 1.128 617 N HN 0.642 nan 8.380 nan 0.000 0.503 618 I N 1.364 121.975 120.570 0.067 0.000 2.354 618 I HA 0.353 4.523 4.170 0.000 0.000 0.292 618 I C 0.099 176.268 176.117 0.085 0.000 0.989 618 I CA -0.201 61.153 61.300 0.090 0.000 1.188 618 I CB 1.631 39.675 38.000 0.073 0.000 1.342 618 I HN 0.152 nan 8.210 nan 0.000 0.457 619 T N 3.558 118.178 114.554 0.111 0.000 2.993 619 T HA 0.357 4.707 4.350 0.000 0.000 0.312 619 T C -0.567 174.203 174.700 0.117 0.000 1.115 619 T CA -0.730 61.430 62.100 0.100 0.000 1.027 619 T CB 1.771 70.699 68.868 0.100 0.000 1.116 619 T HN 0.679 nan 8.240 nan 0.000 0.464 620 S N 2.742 118.511 115.700 0.116 0.000 2.593 620 S HA 0.888 5.359 4.470 0.000 0.000 0.297 620 S C -0.614 174.101 174.600 0.192 0.000 1.112 620 S CA -0.784 57.522 58.200 0.177 0.000 1.043 620 S CB 0.801 64.111 63.200 0.182 0.000 1.054 620 S HN 0.630 nan 8.310 nan 0.000 0.516 621 I N 1.339 122.020 120.570 0.185 0.000 2.569 621 I HA 0.754 4.924 4.170 0.000 0.000 0.290 621 I C 0.408 176.421 176.117 -0.173 0.000 1.088 621 I CA -0.462 60.818 61.300 -0.034 0.000 1.047 621 I CB 1.884 39.817 38.000 -0.113 0.000 1.237 621 I HN 1.094 nan 8.210 nan 0.000 0.421 622 G N 3.124 111.517 108.800 -0.680 0.000 2.351 622 G HA2 0.541 4.502 3.960 0.000 0.000 0.279 622 G HA3 0.541 4.502 3.960 0.000 0.000 0.279 622 G C -0.532 173.245 174.900 -1.872 0.000 1.297 622 G CA 0.207 44.496 45.100 -1.351 0.000 0.886 622 G HN 1.316 nan 8.290 nan 0.000 0.493 623 G N -0.962 106.661 108.800 -1.962 0.000 2.781 623 G HA2 0.267 4.228 3.960 0.000 0.000 0.683 623 G HA3 0.267 4.228 3.960 0.000 0.000 0.683 623 G C -0.085 174.485 174.900 -0.550 0.000 1.390 623 G CA 0.161 44.717 45.100 -0.907 0.000 0.850 623 G HN 1.045 nan 8.290 nan 0.000 0.557 624 K N 1.221 121.435 120.400 -0.310 0.000 2.473 624 K HA 0.324 4.644 4.320 0.000 0.000 0.277 624 K C 1.654 178.118 176.600 -0.227 0.000 1.052 624 K CA 2.052 58.204 56.287 -0.226 0.000 1.114 624 K CB -0.078 32.344 32.500 -0.130 0.000 0.869 624 K HN 2.309 nan 8.250 nan 0.000 0.481 625 G N 3.912 112.591 108.800 -0.201 0.000 2.213 625 G HA2 -0.197 3.763 3.960 0.000 0.000 0.236 625 G HA3 -0.197 3.763 3.960 0.000 0.000 0.236 625 G C 0.555 175.381 174.900 -0.124 0.000 0.991 625 G CA 0.083 45.104 45.100 -0.132 0.000 0.629 625 G HN 0.569 nan 8.290 nan 0.000 0.517 626 K N 0.640 120.872 120.400 -0.280 0.000 2.533 626 K HA 0.167 4.488 4.320 0.000 0.000 0.202 626 K C 1.213 177.605 176.600 -0.347 0.000 1.096 626 K CA 0.691 56.797 56.287 -0.301 0.000 1.056 626 K CB 0.866 33.037 32.500 -0.550 0.000 0.890 626 K HN 0.516 nan 8.250 nan 0.000 0.552 627 D N -0.152 119.945 120.400 -0.506 0.000 2.234 627 D HA -0.104 4.536 4.640 0.000 0.000 0.205 627 D C 0.609 176.384 176.300 -0.875 0.000 0.962 627 D CA 0.565 54.102 54.000 -0.773 0.000 0.855 627 D CB -0.217 39.958 40.800 -1.043 0.000 0.951 627 D HN 0.149 nan 8.370 nan 0.000 0.500 628 F N 0.146 119.948 119.950 -0.246 0.000 2.761 628 F HA 0.216 4.743 4.527 0.000 0.000 0.367 628 F C 0.155 175.898 175.800 -0.095 0.000 1.386 628 F CA -1.432 56.213 58.000 -0.592 0.000 1.177 628 F CB 0.379 39.030 39.000 -0.582 0.000 1.092 628 F HN -0.090 nan 8.300 nan 0.000 0.517 629 W N 2.798 124.080 121.300 -0.029 0.000 2.304 629 W HA 0.496 5.157 4.660 0.000 0.000 0.313 629 W C -1.411 175.164 176.519 0.093 0.000 1.323 629 W CA -0.163 57.178 57.345 -0.006 0.000 1.223 629 W CB 1.381 30.767 29.460 -0.123 0.000 1.237 629 W HN -0.267 nan 8.180 nan 0.000 0.535 630 V N 9.089 128.767 119.914 -0.394 0.000 2.380 630 V HA 0.106 4.226 4.120 0.000 0.000 0.272 630 V C -0.403 175.469 176.094 -0.370 0.000 1.011 630 V CA -0.914 61.272 62.300 -0.190 0.000 0.826 630 V CB 0.102 32.048 31.823 0.206 0.000 1.040 630 V HN 0.473 nan 8.190 nan 0.000 0.441 631 F N 3.673 123.330 119.950 -0.488 0.000 2.594 631 F HA -0.139 4.388 4.527 0.000 0.000 0.208 631 F C 1.539 177.082 175.800 -0.428 0.000 1.032 631 F CA 1.354 59.150 58.000 -0.340 0.000 0.877 631 F CB -1.178 37.673 39.000 -0.248 0.000 0.814 631 F HN 0.883 nan 8.300 nan 0.000 0.844 632 G N -0.669 107.720 108.800 -0.686 0.000 2.179 632 G HA2 -0.128 3.832 3.960 0.000 0.000 0.220 632 G HA3 -0.128 3.832 3.960 0.000 0.000 0.220 632 G C 0.019 174.448 174.900 -0.784 0.000 0.990 632 G CA -0.067 44.756 45.100 -0.462 0.000 0.646 632 G HN 0.749 nan 8.290 nan 0.000 0.517 633 T N 0.625 114.469 114.554 -1.183 0.000 2.971 633 T HA 0.491 4.841 4.350 0.000 0.000 0.304 633 T C -0.984 173.184 174.700 -0.887 0.000 1.038 633 T CA -0.622 60.975 62.100 -0.839 0.000 1.007 633 T CB 1.843 70.347 68.868 -0.607 0.000 1.055 633 T HN 0.290 nan 8.240 nan 0.000 0.451 634 N N 2.133 120.522 118.700 -0.518 0.000 2.424 634 N HA 0.225 4.965 4.740 0.000 0.000 0.271 634 N C -1.125 174.226 175.510 -0.266 0.000 0.985 634 N CA -0.355 52.586 53.050 -0.182 0.000 0.921 634 N CB 0.828 39.408 38.487 0.155 0.000 1.149 634 N HN 0.599 nan 8.380 nan 0.000 0.492 635 Y N 2.351 122.715 120.300 0.108 0.000 2.767 635 Y HA 0.090 4.640 4.550 0.000 0.000 0.354 635 Y C 0.718 176.745 175.900 0.212 0.000 1.292 635 Y CA -0.468 57.710 58.100 0.130 0.000 1.749 635 Y CB -0.257 38.267 38.460 0.108 0.000 1.841 635 Y HN 0.330 nan 8.280 nan 0.000 0.454 636 T N 1.030 115.711 114.554 0.212 0.000 2.830 636 T HA -0.176 4.174 4.350 0.000 0.000 0.282 636 T C 0.306 175.038 174.700 0.053 0.000 1.024 636 T CA 0.449 62.665 62.100 0.194 0.000 1.144 636 T CB -0.026 68.885 68.868 0.071 0.000 1.035 636 T HN 0.449 nan 8.240 nan 0.000 0.507 637 N N 2.263 120.979 118.700 0.026 0.000 2.710 637 N HA 0.163 4.903 4.740 0.000 0.000 0.244 637 N C -1.640 173.839 175.510 -0.051 0.000 1.321 637 N CA -0.520 52.348 53.050 -0.304 0.000 0.758 637 N CB 0.757 38.505 38.487 -1.231 0.000 1.284 637 N HN 0.434 nan 8.380 nan 0.000 0.530 638 D N 1.531 121.924 120.400 -0.012 0.000 2.304 638 D HA 0.318 4.958 4.640 0.000 0.000 0.247 638 D C -2.163 174.126 176.300 -0.018 0.000 1.089 638 D CA -1.093 52.912 54.000 0.010 0.000 0.910 638 D CB 1.071 41.873 40.800 0.004 0.000 1.199 638 D HN 0.302 nan 8.370 nan 0.000 0.426 639 P HA 0.046 nan 4.420 nan 0.000 0.272 639 P C -0.180 177.118 177.300 -0.003 0.000 1.223 639 P CA -0.419 62.684 63.100 0.005 0.000 0.784 639 P CB 0.589 32.310 31.700 0.036 0.000 0.923 640 K N 2.401 122.797 120.400 -0.007 0.000 2.436 640 K HA 0.146 4.466 4.320 0.000 0.000 0.275 640 K C -2.254 174.349 176.600 0.005 0.000 0.999 640 K CA -1.339 54.946 56.287 -0.004 0.000 0.980 640 K CB -0.918 31.578 32.500 -0.005 0.000 0.919 640 K HN 0.344 nan 8.250 nan 0.000 0.484 641 P HA -0.139 nan 4.420 nan 0.000 0.261 641 P C 0.771 178.078 177.300 0.012 0.000 1.165 641 P CA 1.317 64.422 63.100 0.008 0.000 0.759 641 P CB 0.232 31.935 31.700 0.004 0.000 0.772 642 G N 1.488 110.298 108.800 0.017 0.000 2.184 642 G HA2 -0.233 3.727 3.960 0.000 0.000 0.264 642 G HA3 -0.233 3.727 3.960 0.000 0.000 0.264 642 G C 0.373 175.290 174.900 0.028 0.000 0.975 642 G CA 0.553 45.665 45.100 0.020 0.000 0.642 642 G HN 0.843 nan 8.290 nan 0.000 0.536 643 T N -2.837 111.736 114.554 0.032 0.000 2.948 643 T HA 0.531 4.882 4.350 0.000 0.000 0.285 643 T C 0.150 174.890 174.700 0.066 0.000 1.019 643 T CA 0.701 62.827 62.100 0.044 0.000 1.013 643 T CB 1.915 70.804 68.868 0.035 0.000 1.117 643 T HN 1.057 nan 8.240 nan 0.000 0.533 644 D N 0.701 121.160 120.400 0.099 0.000 2.740 644 D HA -0.188 4.453 4.640 0.000 0.000 0.231 644 D C 1.076 177.433 176.300 0.096 0.000 1.194 644 D CA 1.145 55.233 54.000 0.146 0.000 0.673 644 D CB -0.894 40.027 40.800 0.201 0.000 0.995 644 D HN 0.901 nan 8.370 nan 0.000 0.411 645 E N -0.340 119.904 120.200 0.074 0.000 2.265 645 E HA -0.153 4.197 4.350 0.000 0.000 0.196 645 E C 1.596 178.224 176.600 0.047 0.000 0.996 645 E CA 1.106 57.538 56.400 0.053 0.000 0.832 645 E CB -0.051 29.675 29.700 0.043 0.000 0.756 645 E HN 0.417 nan 8.360 nan 0.000 0.491 646 A N 0.798 123.649 122.820 0.052 0.000 2.308 646 A HA 0.243 4.563 4.320 0.000 0.000 0.217 646 A C 1.109 178.707 177.584 0.023 0.000 1.216 646 A CA -0.072 51.986 52.037 0.036 0.000 0.864 646 A CB 0.008 19.031 19.000 0.038 0.000 0.902 646 A HN 0.276 nan 8.150 nan 0.000 0.499 647 L N -0.376 120.867 121.223 0.034 0.000 3.717 647 L HA -0.231 4.109 4.340 0.000 0.000 0.414 647 L C 0.886 177.740 176.870 -0.026 0.000 1.228 647 L CA 1.269 56.127 54.840 0.030 0.000 0.918 647 L CB -2.170 39.910 42.059 0.035 0.000 1.865 647 L HN 0.652 nan 8.230 nan 0.000 0.922 648 E N -0.283 119.831 120.200 -0.143 0.000 2.510 648 E HA -0.175 4.175 4.350 0.000 0.000 0.202 648 E C 1.667 177.998 176.600 -0.449 0.000 1.072 648 E CA 0.794 56.980 56.400 -0.358 0.000 0.883 648 E CB -0.112 29.236 29.700 -0.587 0.000 0.818 648 E HN 0.748 nan 8.360 nan 0.000 0.548 649 R N 0.914 121.330 120.500 -0.140 0.000 2.307 649 R HA 0.072 4.412 4.340 0.000 0.000 0.199 649 R C 0.826 177.278 176.300 0.254 0.000 1.000 649 R CA 0.754 56.967 56.100 0.188 0.000 1.023 649 R CB -0.290 30.228 30.300 0.363 0.000 0.908 649 R HN 0.016 nan 8.270 nan 0.000 0.473 650 G N 1.028 109.893 108.800 0.107 0.000 2.846 650 G HA2 -0.292 3.668 3.960 0.000 0.000 0.660 650 G HA3 -0.292 3.668 3.960 0.000 0.000 0.660 650 G C -0.270 174.630 174.900 0.001 0.000 1.464 650 G CA 0.132 45.297 45.100 0.107 0.000 0.891 650 G HN 0.365 nan 8.290 nan 0.000 0.552 651 E N -1.195 119.008 120.200 0.005 0.000 2.679 651 E HA 0.279 4.630 4.350 0.000 0.000 0.221 651 E C -0.436 175.927 176.600 -0.395 0.000 0.928 651 E CA -0.317 55.949 56.400 -0.224 0.000 1.296 651 E CB 0.689 30.329 29.700 -0.100 0.000 1.235 651 E HN 0.497 nan 8.360 nan 0.000 0.622 652 W N 0.764 122.033 121.300 -0.052 0.000 3.167 652 W HA 0.406 5.066 4.660 0.000 0.000 0.324 652 W C -0.858 175.638 176.519 -0.038 0.000 1.230 652 W CA -0.822 56.494 57.345 -0.050 0.000 1.184 652 W CB 1.180 30.616 29.460 -0.041 0.000 1.414 652 W HN -0.152 nan 8.180 nan 0.000 0.551 653 R N 0.164 120.760 120.500 0.160 0.000 2.740 653 R HA 0.900 5.241 4.340 0.000 0.000 0.273 653 R C -2.033 174.293 176.300 0.043 0.000 0.998 653 R CA -0.971 55.092 56.100 -0.061 0.000 0.900 653 R CB 1.664 31.712 30.300 -0.420 0.000 1.223 653 R HN 0.222 nan 8.270 nan 0.000 0.466 654 V N 1.708 121.641 119.914 0.033 0.000 2.427 654 V HA 0.311 4.431 4.120 0.000 0.000 0.286 654 V C -0.255 175.936 176.094 0.162 0.000 1.034 654 V CA -0.554 61.824 62.300 0.130 0.000 0.893 654 V CB 1.485 33.428 31.823 0.200 0.000 0.982 654 V HN 0.752 nan 8.190 nan 0.000 0.452 655 E N 4.628 124.948 120.200 0.201 0.000 2.158 655 E HA 0.549 4.899 4.350 0.000 0.000 0.271 655 E C -1.090 175.691 176.600 0.303 0.000 0.911 655 E CA -0.422 56.146 56.400 0.280 0.000 0.767 655 E CB 2.122 32.007 29.700 0.308 0.000 1.120 655 E HN 0.546 nan 8.360 nan 0.000 0.405 656 I N 3.216 124.016 120.570 0.382 0.000 2.355 656 I HA 0.232 4.402 4.170 0.000 0.000 0.288 656 I C -0.046 176.274 176.117 0.338 0.000 0.999 656 I CA -0.447 61.044 61.300 0.319 0.000 1.163 656 I CB 1.449 39.618 38.000 0.281 0.000 1.316 656 I HN 0.461 nan 8.210 nan 0.000 0.454 657 T N 3.613 118.273 114.554 0.177 0.000 2.887 657 T HA 0.591 4.941 4.350 0.000 0.000 0.288 657 T C -2.868 171.840 174.700 0.012 0.000 1.021 657 T CA -2.523 59.607 62.100 0.050 0.000 1.000 657 T CB 1.981 70.749 68.868 -0.167 0.000 1.034 657 T HN 0.103 nan 8.240 nan 0.000 0.467 658 P HA 0.293 nan 4.420 nan 0.000 0.271 658 P C 0.402 177.670 177.300 -0.053 0.000 1.216 658 P CA -0.487 62.565 63.100 -0.081 0.000 0.771 658 P CB 0.789 32.416 31.700 -0.122 0.000 0.864 659 K N 1.462 121.840 120.400 -0.038 0.000 2.103 659 K HA -0.069 4.251 4.320 0.000 0.000 0.204 659 K C 0.881 177.467 176.600 -0.024 0.000 1.052 659 K CA 1.151 57.425 56.287 -0.023 0.000 0.945 659 K CB 0.018 32.509 32.500 -0.015 0.000 0.722 659 K HN 0.364 nan 8.250 nan 0.000 0.443 660 K N 1.223 121.603 120.400 -0.033 0.000 2.211 660 K HA 0.272 4.592 4.320 0.000 0.000 0.275 660 K C -1.074 175.504 176.600 -0.036 0.000 1.024 660 K CA -0.432 55.837 56.287 -0.030 0.000 0.887 660 K CB 1.360 33.843 32.500 -0.029 0.000 1.084 660 K HN 0.020 nan 8.250 nan 0.000 0.463 661 A N 2.860 125.664 122.820 -0.026 0.000 2.488 661 A HA 0.490 4.811 4.320 0.000 0.000 0.249 661 A C -0.510 177.050 177.584 -0.040 0.000 1.083 661 A CA 0.113 52.133 52.037 -0.028 0.000 0.768 661 A CB 0.188 19.178 19.000 -0.016 0.000 1.017 661 A HN 0.780 nan 8.150 nan 0.000 0.496 662 A N 1.346 124.136 122.820 -0.051 0.000 2.589 662 A HA 0.702 5.023 4.320 0.000 0.000 0.296 662 A C 0.715 178.254 177.584 -0.074 0.000 1.062 662 A CA 0.063 52.064 52.037 -0.060 0.000 0.686 662 A CB 0.380 19.343 19.000 -0.061 0.000 1.282 662 A HN 2.050 nan 8.150 nan 0.000 0.404 663 A N 0.417 123.189 122.820 -0.080 0.000 1.877 663 A HA 0.083 4.404 4.320 0.000 0.000 0.216 663 A C 0.910 178.431 177.584 -0.106 0.000 1.186 663 A CA 1.949 53.931 52.037 -0.093 0.000 0.620 663 A CB -0.250 18.698 19.000 -0.088 0.000 0.822 663 A HN 0.860 nan 8.150 nan 0.000 0.443 664 E N 0.540 120.672 120.200 -0.112 0.000 2.145 664 E HA 0.377 4.728 4.350 0.000 0.000 0.270 664 E C -1.696 174.780 176.600 -0.207 0.000 0.906 664 E CA -0.674 55.619 56.400 -0.178 0.000 0.761 664 E CB 0.806 30.421 29.700 -0.142 0.000 1.116 664 E HN 0.362 nan 8.360 nan 0.000 0.408 665 D N 3.112 123.318 120.400 -0.324 0.000 2.601 665 D HA 0.275 4.916 4.640 0.000 0.000 0.230 665 D C -1.283 174.692 176.300 -0.543 0.000 1.106 665 D CA -0.372 53.427 54.000 -0.335 0.000 0.873 665 D CB 1.444 42.050 40.800 -0.324 0.000 1.515 665 D HN 0.404 nan 8.370 nan 0.000 0.468 666 Y N 0.473 120.601 120.300 -0.286 0.000 2.393 666 Y HA 0.360 4.911 4.550 0.000 0.000 0.341 666 Y C -0.510 175.191 175.900 -0.333 0.000 0.988 666 Y CA -0.774 57.153 58.100 -0.289 0.000 1.078 666 Y CB 1.424 39.785 38.460 -0.164 0.000 1.203 666 Y HN 0.228 nan 8.280 nan 0.000 0.453 667 Y N 3.390 123.640 120.300 -0.084 0.000 2.341 667 Y HA 0.571 5.121 4.550 0.000 0.000 0.337 667 Y C -0.786 175.074 175.900 -0.066 0.000 1.014 667 Y CA -0.939 57.091 58.100 -0.117 0.000 1.111 667 Y CB 1.702 40.053 38.460 -0.183 0.000 1.194 667 Y HN 0.446 nan 8.280 nan 0.000 0.462 668 L N 5.343 126.630 121.223 0.106 0.000 2.406 668 L HA 0.548 4.888 4.340 0.000 0.000 0.270 668 L C -1.623 175.227 176.870 -0.033 0.000 0.982 668 L CA -0.414 54.501 54.840 0.124 0.000 0.843 668 L CB 0.845 43.017 42.059 0.188 0.000 1.225 668 L HN 0.609 nan 8.230 nan 0.000 0.412 669 N N 4.131 122.791 118.700 -0.067 0.000 2.258 669 N HA 0.582 5.322 4.740 0.000 0.000 0.299 669 N C -1.513 173.994 175.510 -0.005 0.000 1.047 669 N CA -0.448 52.530 53.050 -0.120 0.000 0.814 669 N CB 2.996 41.294 38.487 -0.316 0.000 1.413 669 N HN 0.290 nan 8.380 nan 0.000 0.478 670 V N 3.175 123.091 119.914 0.002 0.000 2.378 670 V HA 0.469 4.589 4.120 0.000 0.000 0.288 670 V C 0.231 176.353 176.094 0.047 0.000 1.016 670 V CA -0.630 61.685 62.300 0.026 0.000 0.840 670 V CB 1.300 33.128 31.823 0.007 0.000 0.994 670 V HN 0.528 nan 8.190 nan 0.000 0.431 671 I N 4.508 125.117 120.570 0.066 0.000 2.385 671 I HA 0.463 4.633 4.170 0.000 0.000 0.294 671 I C 0.008 176.161 176.117 0.059 0.000 0.988 671 I CA -0.357 61.000 61.300 0.094 0.000 1.265 671 I CB 1.614 39.701 38.000 0.145 0.000 1.388 671 I HN 0.576 nan 8.210 nan 0.000 0.480 672 Q N 5.310 125.146 119.800 0.061 0.000 2.365 672 Q HA 0.577 4.918 4.340 0.000 0.000 0.269 672 Q C -1.221 174.797 176.000 0.030 0.000 1.061 672 Q CA -0.830 54.994 55.803 0.034 0.000 0.816 672 Q CB 3.062 31.827 28.738 0.045 0.000 1.325 672 Q HN 0.409 nan 8.270 nan 0.000 0.446 673 I N 1.518 122.076 120.570 -0.020 0.000 2.441 673 I HA 0.849 5.019 4.170 0.000 0.000 0.295 673 I C -0.123 175.898 176.117 -0.160 0.000 0.994 673 I CA -0.411 60.846 61.300 -0.072 0.000 1.144 673 I CB 0.957 38.879 38.000 -0.130 0.000 1.314 673 I HN 0.778 nan 8.210 nan 0.000 0.445 674 A N 4.375 127.135 122.820 -0.101 0.000 2.515 674 A HA 0.502 4.822 4.320 0.000 0.000 0.292 674 A C -1.592 176.101 177.584 0.181 0.000 1.065 674 A CA -0.801 51.213 52.037 -0.038 0.000 0.641 674 A CB 0.647 19.637 19.000 -0.017 0.000 1.306 674 A HN 0.540 nan 8.150 nan 0.000 0.441 675 D N 1.598 122.125 120.400 0.212 0.000 2.424 675 D HA 0.204 4.844 4.640 0.000 0.000 0.244 675 D C 1.064 177.419 176.300 0.092 0.000 1.134 675 D CA 0.355 54.465 54.000 0.183 0.000 0.881 675 D CB 0.553 41.431 40.800 0.130 0.000 1.191 675 D HN 0.606 nan 8.370 nan 0.000 0.445 676 N N -0.040 118.699 118.700 0.065 0.000 2.666 676 N HA -0.152 4.588 4.740 0.000 0.000 0.194 676 N C 0.617 176.139 175.510 0.020 0.000 1.220 676 N CA 0.624 53.694 53.050 0.033 0.000 0.928 676 N CB -0.395 38.102 38.487 0.016 0.000 0.997 676 N HN 0.368 nan 8.380 nan 0.000 0.447 677 T N -5.697 108.873 114.554 0.026 0.000 3.040 677 T HA 0.142 4.492 4.350 0.000 0.000 0.266 677 T C 0.314 175.022 174.700 0.013 0.000 1.005 677 T CA -0.503 61.606 62.100 0.016 0.000 0.906 677 T CB 0.039 68.917 68.868 0.015 0.000 1.082 677 T HN 0.019 nan 8.240 nan 0.000 0.531 678 Q N 2.183 121.993 119.800 0.017 0.000 2.323 678 Q HA 0.273 4.613 4.340 0.000 0.000 0.257 678 Q C 1.259 177.254 176.000 -0.008 0.000 1.022 678 Q CA -0.167 55.638 55.803 0.004 0.000 0.919 678 Q CB 0.848 29.589 28.738 0.006 0.000 1.220 678 Q HN 0.248 nan 8.270 nan 0.000 0.427 679 Q N 2.593 122.384 119.800 -0.015 0.000 1.969 679 Q HA -0.069 4.271 4.340 0.000 0.000 0.198 679 Q C -0.025 175.956 176.000 -0.031 0.000 0.978 679 Q CA 1.159 56.951 55.803 -0.019 0.000 0.830 679 Q CB -0.187 28.540 28.738 -0.017 0.000 0.896 679 Q HN 0.318 nan 8.270 nan 0.000 0.431 680 K N 0.941 121.313 120.400 -0.046 0.000 2.248 680 K HA 0.346 4.666 4.320 0.000 0.000 0.281 680 K C -0.492 176.038 176.600 -0.116 0.000 1.054 680 K CA -0.010 56.236 56.287 -0.070 0.000 0.903 680 K CB 0.333 32.790 32.500 -0.072 0.000 1.077 680 K HN -0.036 nan 8.250 nan 0.000 0.474 681 L N 2.355 123.509 121.223 -0.116 0.000 2.693 681 L HA 0.468 4.809 4.340 0.000 0.000 0.253 681 L C 0.281 177.007 176.870 -0.241 0.000 1.155 681 L CA -1.263 53.478 54.840 -0.165 0.000 1.026 681 L CB 0.652 42.681 42.059 -0.051 0.000 1.817 681 L HN 0.622 nan 8.230 nan 0.000 0.556 682 H N 0.486 119.547 119.070 -0.015 0.000 2.481 682 H HA 0.190 4.747 4.556 0.000 0.000 0.339 682 H C -0.844 174.479 175.328 -0.010 0.000 1.131 682 H CA -0.372 55.668 56.048 -0.013 0.000 1.301 682 H CB 1.546 31.296 29.762 -0.019 0.000 1.476 682 H HN 0.417 nan 8.280 nan 0.000 0.529 683 E N 1.926 122.194 120.200 0.113 0.000 2.313 683 E HA 0.230 4.580 4.350 0.000 0.000 0.276 683 E C -0.955 175.677 176.600 0.053 0.000 1.031 683 E CA -0.597 55.840 56.400 0.061 0.000 0.857 683 E CB 0.777 30.502 29.700 0.043 0.000 1.040 683 E HN 0.225 nan 8.360 nan 0.000 0.408 684 V N 5.614 125.542 119.914 0.023 0.000 2.347 684 V HA 0.279 4.399 4.120 0.000 0.000 0.280 684 V C -0.063 176.018 176.094 -0.021 0.000 1.021 684 V CA -0.653 61.646 62.300 -0.003 0.000 0.847 684 V CB 1.154 32.975 31.823 -0.004 0.000 0.990 684 V HN 0.603 nan 8.190 nan 0.000 0.444 685 K N 3.880 124.255 120.400 -0.042 0.000 2.159 685 K HA 0.529 4.849 4.320 0.000 0.000 0.266 685 K C -0.154 176.398 176.600 -0.081 0.000 0.975 685 K CA -0.796 55.458 56.287 -0.055 0.000 0.865 685 K CB 2.234 34.698 32.500 -0.059 0.000 1.087 685 K HN 0.553 nan 8.250 nan 0.000 0.446 686 R N 3.083 123.540 120.500 -0.072 0.000 2.441 686 R HA 0.300 4.641 4.340 0.000 0.000 0.284 686 R C -0.584 175.651 176.300 -0.109 0.000 1.070 686 R CA -0.260 55.785 56.100 -0.091 0.000 1.047 686 R CB 0.513 30.771 30.300 -0.069 0.000 1.016 686 R HN 0.539 nan 8.270 nan 0.000 0.477 687 I N 3.752 124.224 120.570 -0.162 0.000 2.378 687 I HA 0.213 4.383 4.170 0.000 0.000 0.291 687 I C -0.777 175.243 176.117 -0.163 0.000 0.992 687 I CA -0.530 60.666 61.300 -0.174 0.000 1.154 687 I CB 1.839 39.653 38.000 -0.311 0.000 1.315 687 I HN 0.482 nan 8.210 nan 0.000 0.448 688 D N 5.921 126.277 120.400 -0.073 0.000 2.481 688 D HA 0.491 5.131 4.640 0.000 0.000 0.246 688 D C -0.056 176.263 176.300 0.031 0.000 1.109 688 D CA -0.065 53.907 54.000 -0.048 0.000 0.845 688 D CB 2.384 43.165 40.800 -0.032 0.000 1.160 688 D HN 0.684 nan 8.370 nan 0.000 0.534 689 G N 0.816 109.640 108.800 0.040 0.000 3.108 689 G HA2 0.448 4.408 3.960 0.000 0.000 0.268 689 G HA3 0.448 4.408 3.960 0.000 0.000 0.268 689 G C -0.786 174.172 174.900 0.096 0.000 1.361 689 G CA -0.742 44.444 45.100 0.145 0.000 1.047 689 G HN 0.365 nan 8.290 nan 0.000 0.540 690 D N -0.401 120.086 120.400 0.146 0.000 2.308 690 D HA 0.255 4.895 4.640 0.000 0.000 0.251 690 D C 0.358 176.736 176.300 0.130 0.000 1.127 690 D CA -0.426 53.644 54.000 0.117 0.000 0.876 690 D CB 1.802 42.679 40.800 0.129 0.000 1.176 690 D HN 0.355 nan 8.370 nan 0.000 0.446 691 K N -0.836 119.594 120.400 0.050 0.000 3.575 691 K HA -0.151 4.169 4.320 0.000 0.000 0.272 691 K C 0.381 176.893 176.600 -0.146 0.000 1.019 691 K CA 1.611 57.893 56.287 -0.008 0.000 1.123 691 K CB -2.376 30.168 32.500 0.072 0.000 1.364 691 K HN 0.695 nan 8.250 nan 0.000 0.482 692 V N -3.110 116.715 119.914 -0.149 0.000 3.102 692 V HA 0.919 5.040 4.120 0.000 0.000 0.312 692 V C -0.364 175.580 176.094 -0.250 0.000 1.135 692 V CA -0.647 61.480 62.300 -0.288 0.000 1.022 692 V CB 2.728 34.284 31.823 -0.444 0.000 1.056 692 V HN -0.003 nan 8.190 nan 0.000 0.436 693 V N 0.911 120.621 119.914 -0.340 0.000 2.888 693 V HA 1.019 5.140 4.120 0.000 0.000 0.309 693 V C 0.089 175.943 176.094 -0.399 0.000 1.114 693 V CA 0.785 62.890 62.300 -0.325 0.000 0.940 693 V CB 1.637 33.274 31.823 -0.310 0.000 1.021 693 V HN 1.760 nan 8.190 nan 0.000 0.426 694 G N 3.692 112.270 108.800 -0.370 0.000 2.749 694 G HA2 0.705 4.666 3.960 0.000 0.000 0.300 694 G HA3 0.705 4.666 3.960 0.000 0.000 0.300 694 G C -1.913 172.807 174.900 -0.300 0.000 1.352 694 G CA -0.341 44.503 45.100 -0.428 0.000 0.789 694 G HN 1.081 nan 8.290 nan 0.000 0.509 695 V N 0.181 119.902 119.914 -0.322 0.000 2.686 695 V HA 0.590 4.710 4.120 0.000 0.000 0.306 695 V C -0.588 175.343 176.094 -0.271 0.000 1.065 695 V CA -0.670 61.495 62.300 -0.224 0.000 0.894 695 V CB 1.599 33.346 31.823 -0.127 0.000 1.004 695 V HN 0.912 nan 8.190 nan 0.000 0.424 696 Q N 5.436 125.099 119.800 -0.227 0.000 2.322 696 Q HA 0.868 5.208 4.340 0.000 0.000 0.265 696 Q C -1.495 174.430 176.000 -0.126 0.000 0.985 696 Q CA -0.660 55.006 55.803 -0.229 0.000 0.849 696 Q CB 2.034 30.600 28.738 -0.287 0.000 1.274 696 Q HN 0.856 nan 8.270 nan 0.000 0.449 697 L N 1.645 122.805 121.223 -0.105 0.000 2.472 697 L HA 0.942 5.282 4.340 0.000 0.000 0.260 697 L C -0.069 176.720 176.870 -0.135 0.000 0.963 697 L CA -0.299 54.493 54.840 -0.080 0.000 0.829 697 L CB 1.551 43.556 42.059 -0.091 0.000 1.348 697 L HN 0.888 nan 8.230 nan 0.000 0.408 698 A N 2.894 125.617 122.820 -0.163 0.000 5.308 698 A HA -0.317 4.003 4.320 0.000 0.000 0.321 698 A C 0.725 178.268 177.584 -0.068 0.000 1.849 698 A CA 1.667 53.553 52.037 -0.251 0.000 0.713 698 A CB -1.990 16.606 19.000 -0.673 0.000 1.360 698 A HN 1.434 nan 8.150 nan 0.000 0.384 699 D N -0.029 120.285 120.400 -0.142 0.000 2.501 699 D HA 0.301 4.941 4.640 0.000 0.000 0.226 699 D C 0.174 176.484 176.300 0.016 0.000 1.198 699 D CA -0.180 53.717 54.000 -0.172 0.000 0.830 699 D CB 0.006 40.632 40.800 -0.290 0.000 1.014 699 D HN 0.451 nan 8.370 nan 0.000 0.496 700 R N 0.795 121.289 120.500 -0.009 0.000 2.445 700 R HA 0.570 4.910 4.340 0.000 0.000 0.308 700 R C -0.126 176.045 176.300 -0.214 0.000 0.961 700 R CA -0.619 55.417 56.100 -0.107 0.000 0.862 700 R CB 1.898 32.118 30.300 -0.133 0.000 1.144 700 R HN 0.136 nan 8.270 nan 0.000 0.447 701 I N 2.352 122.679 120.570 -0.406 0.000 2.509 701 I HA 0.483 4.653 4.170 0.000 0.000 0.293 701 I C -0.520 175.282 176.117 -0.526 0.000 1.020 701 I CA -1.155 59.797 61.300 -0.579 0.000 1.088 701 I CB 2.337 39.729 38.000 -1.013 0.000 1.267 701 I HN 0.095 nan 8.210 nan 0.000 0.430 702 V N 3.885 123.482 119.914 -0.528 0.000 2.733 702 V HA 0.547 4.667 4.120 0.000 0.000 0.306 702 V C -0.255 175.369 176.094 -0.785 0.000 1.084 702 V CA -0.458 61.478 62.300 -0.606 0.000 0.905 702 V CB 2.419 33.942 31.823 -0.499 0.000 1.010 702 V HN 0.930 nan 8.190 nan 0.000 0.424 703 T N 0.923 114.911 114.554 -0.942 0.000 2.906 703 T HA 0.890 5.240 4.350 0.000 0.000 0.295 703 T C -1.082 172.916 174.700 -1.169 0.000 1.075 703 T CA -0.626 60.887 62.100 -0.979 0.000 1.005 703 T CB 2.114 70.491 68.868 -0.819 0.000 1.136 703 T HN 0.231 nan 8.240 nan 0.000 0.498 704 F N 0.020 119.635 119.950 -0.558 0.000 2.629 704 F HA 0.657 5.185 4.527 0.000 0.000 0.316 704 F C 0.707 176.229 175.800 -0.465 0.000 1.081 704 F CA -1.246 56.459 58.000 -0.491 0.000 0.954 704 F CB 2.120 40.697 39.000 -0.705 0.000 1.337 704 F HN 0.728 nan 8.300 nan 0.000 0.474 705 S N 0.975 116.620 115.700 -0.093 0.000 2.533 705 S HA 0.072 4.542 4.470 0.000 0.000 0.282 705 S C 1.121 175.685 174.600 -0.059 0.000 1.304 705 S CA -0.408 57.718 58.200 -0.124 0.000 1.063 705 S CB 0.847 64.032 63.200 -0.024 0.000 0.881 705 S HN 0.769 nan 8.310 nan 0.000 0.493 706 K N 2.261 122.581 120.400 -0.132 0.000 2.211 706 K HA -0.103 4.217 4.320 0.000 0.000 0.204 706 K C 1.661 178.164 176.600 -0.162 0.000 1.047 706 K CA 1.905 58.098 56.287 -0.157 0.000 0.935 706 K CB -0.261 32.148 32.500 -0.152 0.000 0.728 706 K HN 0.866 nan 8.250 nan 0.000 0.452 707 T N -3.678 110.874 114.554 -0.002 0.000 3.069 707 T HA 0.099 4.449 4.350 0.000 0.000 0.252 707 T C 0.684 175.553 174.700 0.282 0.000 1.053 707 T CA 0.316 62.495 62.100 0.133 0.000 0.964 707 T CB 0.391 69.331 68.868 0.119 0.000 1.005 707 T HN 0.110 nan 8.240 nan 0.000 0.532 708 S N 0.908 116.783 115.700 0.292 0.000 3.445 708 S HA -0.146 4.325 4.470 0.000 0.000 0.319 708 S C -0.132 174.578 174.600 0.183 0.000 1.209 708 S CA 0.837 59.223 58.200 0.310 0.000 0.934 708 S CB -1.118 62.261 63.200 0.299 0.000 0.999 708 S HN 0.782 nan 8.310 nan 0.000 0.582 709 E N 1.212 121.495 120.200 0.137 0.000 2.222 709 E HA 0.388 4.739 4.350 0.000 0.000 0.267 709 E C 0.334 176.988 176.600 0.090 0.000 0.963 709 E CA -0.453 56.010 56.400 0.105 0.000 0.837 709 E CB 0.786 30.539 29.700 0.090 0.000 1.183 709 E HN 0.322 nan 8.360 nan 0.000 0.403 710 T N 0.714 115.325 114.554 0.095 0.000 2.867 710 T HA 0.037 4.387 4.350 0.000 0.000 0.290 710 T C 0.360 175.122 174.700 0.104 0.000 1.025 710 T CA 0.090 62.252 62.100 0.102 0.000 1.146 710 T CB 0.009 68.946 68.868 0.114 0.000 1.024 710 T HN 0.128 nan 8.240 nan 0.000 0.519 711 V N 4.488 124.473 119.914 0.119 0.000 2.383 711 V HA 0.309 4.429 4.120 0.000 0.000 0.275 711 V C 0.607 176.902 176.094 0.336 0.000 1.036 711 V CA -0.453 61.949 62.300 0.170 0.000 0.889 711 V CB 1.420 33.271 31.823 0.046 0.000 0.985 711 V HN 1.074 nan 8.190 nan 0.000 0.459 712 D N 2.941 123.500 120.400 0.265 0.000 2.556 712 D HA 0.152 4.792 4.640 0.000 0.000 0.237 712 D C 0.432 176.809 176.300 0.127 0.000 1.296 712 D CA -0.370 53.748 54.000 0.197 0.000 0.807 712 D CB 0.568 41.438 40.800 0.117 0.000 1.084 712 D HN 0.269 nan 8.370 nan 0.000 0.510 713 R N 0.440 121.067 120.500 0.212 0.000 2.912 713 R HA 0.594 4.934 4.340 0.000 0.000 0.262 713 R C -2.757 173.724 176.300 0.303 0.000 1.057 713 R CA -1.972 54.227 56.100 0.165 0.000 0.981 713 R CB 0.073 30.455 30.300 0.137 0.000 1.201 713 R HN -0.057 nan 8.270 nan 0.000 0.484 714 P HA 0.129 nan 4.420 nan 0.000 0.269 714 P C -0.844 176.691 177.300 0.391 0.000 1.209 714 P CA 0.194 63.459 63.100 0.274 0.000 0.776 714 P CB 0.276 32.048 31.700 0.121 0.000 0.876 715 F N -0.429 119.719 119.950 0.330 0.000 2.715 715 F HA 0.912 5.439 4.527 0.000 0.000 0.318 715 F C -0.436 175.576 175.800 0.353 0.000 1.141 715 F CA -0.848 57.316 58.000 0.273 0.000 0.950 715 F CB 1.169 40.300 39.000 0.218 0.000 1.374 715 F HN 0.523 nan 8.300 nan 0.000 0.477 716 G N 0.150 109.264 108.800 0.524 0.000 2.576 716 G HA2 0.684 4.644 3.960 0.000 0.000 0.290 716 G HA3 0.684 4.644 3.960 0.000 0.000 0.290 716 G C -2.192 173.021 174.900 0.522 0.000 1.442 716 G CA -0.432 44.908 45.100 0.399 0.000 0.792 716 G HN 1.440 nan 8.290 nan 0.000 0.491 717 F N -1.771 118.360 119.950 0.301 0.000 2.817 717 F HA 0.840 5.368 4.527 0.000 0.000 0.317 717 F C -0.616 175.309 175.800 0.208 0.000 1.168 717 F CA -1.447 56.673 58.000 0.201 0.000 0.911 717 F CB 1.100 40.188 39.000 0.148 0.000 1.337 717 F HN 0.487 nan 8.300 nan 0.000 0.464 718 S N 0.896 116.762 115.700 0.276 0.000 2.472 718 S HA 0.772 5.242 4.470 0.000 0.000 0.303 718 S C -1.010 173.716 174.600 0.210 0.000 1.099 718 S CA -0.748 57.556 58.200 0.173 0.000 1.077 718 S CB 1.809 65.078 63.200 0.115 0.000 1.031 718 S HN 0.582 nan 8.310 nan 0.000 0.487 719 V N 3.267 123.279 119.914 0.164 0.000 2.417 719 V HA 0.543 4.664 4.120 0.000 0.000 0.291 719 V C -0.480 175.624 176.094 0.016 0.000 1.024 719 V CA -0.596 61.722 62.300 0.030 0.000 0.861 719 V CB 1.581 33.366 31.823 -0.063 0.000 0.985 719 V HN 0.672 nan 8.190 nan 0.000 0.436 720 V N 3.563 123.450 119.914 -0.044 0.000 2.531 720 V HA 1.017 5.137 4.120 0.000 0.000 0.301 720 V C 0.349 176.451 176.094 0.013 0.000 1.034 720 V CA 0.271 62.577 62.300 0.011 0.000 0.865 720 V CB 1.444 33.280 31.823 0.021 0.000 0.995 720 V HN 1.242 nan 8.190 nan 0.000 0.424 721 G N 3.641 112.515 108.800 0.123 0.000 2.352 721 G HA2 0.306 4.267 3.960 0.000 0.000 0.305 721 G HA3 0.306 4.267 3.960 0.000 0.000 0.305 721 G C -1.581 173.524 174.900 0.342 0.000 1.537 721 G CA -1.002 44.246 45.100 0.246 0.000 0.959 721 G HN 0.672 nan 8.290 nan 0.000 0.668 722 K N 0.003 120.540 120.400 0.229 0.000 2.168 722 K HA 0.681 5.001 4.320 0.000 0.000 0.258 722 K C 1.179 177.788 176.600 0.014 0.000 1.010 722 K CA 1.735 58.094 56.287 0.120 0.000 0.929 722 K CB 0.774 33.309 32.500 0.058 0.000 0.998 722 K HN 2.389 nan 8.250 nan 0.000 0.479 723 G N 0.668 109.458 108.800 -0.017 0.000 2.698 723 G HA2 -0.230 3.731 3.960 0.000 0.000 0.233 723 G HA3 -0.230 3.731 3.960 0.000 0.000 0.233 723 G C -0.746 174.052 174.900 -0.170 0.000 1.352 723 G CA -0.275 44.751 45.100 -0.123 0.000 0.879 723 G HN 0.652 nan 8.290 nan 0.000 0.567 724 T N 0.823 115.245 114.554 -0.221 0.000 2.845 724 T HA 0.608 4.958 4.350 0.000 0.000 0.288 724 T C -0.386 174.114 174.700 -0.333 0.000 0.980 724 T CA 0.293 62.325 62.100 -0.113 0.000 1.071 724 T CB 0.659 69.523 68.868 -0.007 0.000 0.941 724 T HN 0.463 nan 8.240 nan 0.000 0.487 725 F N 1.688 121.690 119.950 0.087 0.000 2.522 725 F HA 0.500 5.027 4.527 0.000 0.000 0.324 725 F C 0.561 176.345 175.800 -0.028 0.000 1.077 725 F CA -1.173 56.793 58.000 -0.057 0.000 0.944 725 F CB 1.669 40.512 39.000 -0.260 0.000 1.175 725 F HN 0.229 nan 8.300 nan 0.000 0.468 726 K N 2.665 123.080 120.400 0.024 0.000 2.213 726 K HA 0.480 4.800 4.320 0.000 0.000 0.270 726 K C -1.497 174.917 176.600 -0.309 0.000 1.002 726 K CA -0.358 55.883 56.287 -0.076 0.000 0.868 726 K CB 0.917 33.464 32.500 0.079 0.000 1.093 726 K HN 0.311 nan 8.250 nan 0.000 0.454 727 F N 1.921 121.429 119.950 -0.736 0.000 2.427 727 F HA 0.319 4.846 4.527 0.000 0.000 0.346 727 F C -0.102 175.259 175.800 -0.733 0.000 1.120 727 F CA -0.966 56.547 58.000 -0.811 0.000 1.033 727 F CB 1.466 39.593 39.000 -1.455 0.000 1.126 727 F HN 0.069 nan 8.300 nan 0.000 0.462 728 V N 5.590 125.254 119.914 -0.417 0.000 2.349 728 V HA 0.370 4.490 4.120 0.000 0.000 0.284 728 V C -0.218 175.582 176.094 -0.489 0.000 1.014 728 V CA -0.724 61.302 62.300 -0.457 0.000 0.826 728 V CB 1.154 32.600 31.823 -0.628 0.000 1.009 728 V HN 0.593 nan 8.190 nan 0.000 0.431 729 M N 4.572 123.937 119.600 -0.391 0.000 2.129 729 M HA 0.520 5.001 4.480 0.000 0.000 0.348 729 M C 0.250 176.271 176.300 -0.466 0.000 1.116 729 M CA -0.175 54.861 55.300 -0.440 0.000 1.022 729 M CB 1.184 33.580 32.600 -0.340 0.000 1.599 729 M HN 0.667 nan 8.290 nan 0.000 0.449 730 T N -2.093 112.144 114.554 -0.527 0.000 2.889 730 T HA 0.427 4.778 4.350 0.000 0.000 0.278 730 T C 0.160 174.716 174.700 -0.240 0.000 0.995 730 T CA -0.533 61.323 62.100 -0.406 0.000 0.966 730 T CB 1.063 69.648 68.868 -0.470 0.000 1.237 730 T HN 0.725 nan 8.240 nan 0.000 0.591 731 D N -0.056 120.308 120.400 -0.060 0.000 2.772 731 D HA -0.118 4.522 4.640 0.000 0.000 0.233 731 D C -0.536 175.748 176.300 -0.026 0.000 1.143 731 D CA 0.515 54.521 54.000 0.009 0.000 0.700 731 D CB -1.604 39.208 40.800 0.020 0.000 1.076 731 D HN 0.544 nan 8.370 nan 0.000 0.430 732 L N -0.081 121.125 121.223 -0.028 0.000 2.334 732 L HA 0.444 4.785 4.340 0.000 0.000 0.275 732 L C 0.766 177.794 176.870 0.263 0.000 1.036 732 L CA -1.194 53.681 54.840 0.058 0.000 0.807 732 L CB 1.184 43.099 42.059 -0.240 0.000 1.231 732 L HN -0.063 nan 8.230 nan 0.000 0.438 733 L N 5.093 126.593 121.223 0.461 0.000 2.477 733 L HA 0.253 4.593 4.340 0.000 0.000 0.272 733 L C -2.188 174.942 176.870 0.432 0.000 1.157 733 L CA -0.917 54.140 54.840 0.362 0.000 0.889 733 L CB 0.111 42.339 42.059 0.282 0.000 1.158 733 L HN 0.284 nan 8.230 nan 0.000 0.473 734 P HA 0.449 nan 4.420 nan 0.000 0.268 734 P C -0.051 177.366 177.300 0.195 0.000 1.205 734 P CA 0.096 63.342 63.100 0.243 0.000 0.771 734 P CB 1.002 32.795 31.700 0.155 0.000 0.858 735 G N 1.043 109.961 108.800 0.197 0.000 2.332 735 G HA2 0.136 4.097 3.960 0.000 0.000 0.265 735 G HA3 0.136 4.097 3.960 0.000 0.000 0.265 735 G C -1.454 173.521 174.900 0.125 0.000 1.329 735 G CA -0.609 44.546 45.100 0.092 0.000 0.949 735 G HN 0.387 nan 8.290 nan 0.000 0.476 736 T N 1.358 115.917 114.554 0.009 0.000 2.781 736 T HA 0.505 4.855 4.350 0.000 0.000 0.305 736 T C -0.648 174.027 174.700 -0.042 0.000 1.001 736 T CA 0.088 62.217 62.100 0.048 0.000 0.950 736 T CB 0.368 69.245 68.868 0.015 0.000 0.955 736 T HN 0.404 nan 8.240 nan 0.000 0.471 737 W N 2.150 123.482 121.300 0.054 0.000 2.283 737 W HA 0.480 5.140 4.660 0.000 0.000 0.341 737 W C 0.660 177.189 176.519 0.016 0.000 1.206 737 W CA -0.612 56.770 57.345 0.061 0.000 1.294 737 W CB 0.676 30.208 29.460 0.121 0.000 1.154 737 W HN 0.469 nan 8.180 nan 0.000 0.613 738 Q N 1.068 120.995 119.800 0.211 0.000 2.342 738 Q HA 0.617 4.957 4.340 0.000 0.000 0.267 738 Q C -1.653 174.327 176.000 -0.033 0.000 1.038 738 Q CA -0.613 55.223 55.803 0.056 0.000 0.832 738 Q CB 1.862 30.583 28.738 -0.028 0.000 1.323 738 Q HN 0.350 nan 8.270 nan 0.000 0.448 739 V N 4.984 124.790 119.914 -0.179 0.000 2.409 739 V HA 0.437 4.557 4.120 0.000 0.000 0.291 739 V C -0.745 175.049 176.094 -0.500 0.000 1.020 739 V CA -0.616 61.393 62.300 -0.485 0.000 0.848 739 V CB 1.343 32.838 31.823 -0.546 0.000 0.990 739 V HN 0.699 nan 8.190 nan 0.000 0.430 740 L N 4.364 125.228 121.223 -0.599 0.000 2.322 740 L HA 0.711 5.051 4.340 0.000 0.000 0.269 740 L C -0.215 176.232 176.870 -0.705 0.000 1.012 740 L CA -0.327 54.197 54.840 -0.526 0.000 0.815 740 L CB 1.749 43.580 42.059 -0.379 0.000 1.295 740 L HN 0.550 nan 8.230 nan 0.000 0.438 741 K N 0.882 120.892 120.400 -0.649 0.000 2.535 741 K HA 0.277 4.597 4.320 0.000 0.000 0.250 741 K C -1.306 175.021 176.600 -0.455 0.000 0.948 741 K CA -0.473 55.348 56.287 -0.777 0.000 0.796 741 K CB 1.201 33.119 32.500 -0.971 0.000 1.216 741 K HN 0.648 nan 8.250 nan 0.000 0.432 742 D N 3.198 123.387 120.400 -0.352 0.000 2.708 742 D HA -0.213 4.427 4.640 0.000 0.000 0.236 742 D C 0.681 176.865 176.300 -0.194 0.000 1.146 742 D CA 1.867 55.735 54.000 -0.220 0.000 0.662 742 D CB -1.132 39.560 40.800 -0.179 0.000 1.059 742 D HN 1.100 nan 8.370 nan 0.000 0.428 743 G N -0.927 107.748 108.800 -0.209 0.000 2.225 743 G HA2 -0.341 3.619 3.960 0.000 0.000 0.254 743 G HA3 -0.341 3.619 3.960 0.000 0.000 0.254 743 G C 0.276 175.070 174.900 -0.177 0.000 0.988 743 G CA 0.726 45.724 45.100 -0.169 0.000 0.625 743 G HN 0.477 nan 8.290 nan 0.000 0.527 744 K N 0.039 120.312 120.400 -0.212 0.000 2.259 744 K HA 0.611 4.931 4.320 0.000 0.000 0.249 744 K C 0.264 176.714 176.600 -0.250 0.000 0.942 744 K CA -1.100 55.067 56.287 -0.201 0.000 0.816 744 K CB 2.218 34.611 32.500 -0.178 0.000 1.155 744 K HN 0.168 nan 8.250 nan 0.000 0.428 745 I N 3.238 123.679 120.570 -0.216 0.000 2.741 745 I HA -0.195 3.975 4.170 0.000 0.000 0.288 745 I C 1.152 177.091 176.117 -0.297 0.000 1.192 745 I CA 0.299 61.458 61.300 -0.235 0.000 1.426 745 I CB 0.346 38.245 38.000 -0.168 0.000 1.367 745 I HN 0.535 nan 8.210 nan 0.000 0.563 746 L N 8.659 129.644 121.223 -0.398 0.000 2.433 746 L HA 0.256 4.596 4.340 0.000 0.000 0.200 746 L C -0.462 175.966 176.870 -0.737 0.000 1.059 746 L CA 0.874 55.358 54.840 -0.592 0.000 0.835 746 L CB 0.211 41.848 42.059 -0.703 0.000 1.076 746 L HN 0.417 nan 8.230 nan 0.000 0.481 747 Y N 0.657 120.803 120.300 -0.256 0.000 2.349 747 Y HA 0.390 4.941 4.550 0.000 0.000 0.324 747 Y C -1.749 174.057 175.900 -0.156 0.000 1.005 747 Y CA -1.862 56.123 58.100 -0.191 0.000 1.240 747 Y CB 1.153 39.474 38.460 -0.233 0.000 1.117 747 Y HN 0.006 nan 8.280 nan 0.000 0.463 748 P HA -0.075 nan 4.420 nan 0.000 0.220 748 P C -0.052 177.257 177.300 0.015 0.000 1.148 748 P CA 1.005 64.097 63.100 -0.012 0.000 0.803 748 P CB 0.672 32.364 31.700 -0.014 0.000 0.782 749 A N -0.636 122.215 122.820 0.052 0.000 2.512 749 A HA 0.591 4.911 4.320 0.000 0.000 0.290 749 A C -1.170 176.457 177.584 0.070 0.000 1.041 749 A CA -0.462 51.610 52.037 0.058 0.000 0.911 749 A CB 0.128 19.150 19.000 0.038 0.000 1.407 749 A HN -0.012 nan 8.150 nan 0.000 0.398 750 L N 1.003 122.286 121.223 0.101 0.000 2.323 750 L HA 0.750 5.091 4.340 0.000 0.000 0.265 750 L C 0.173 177.142 176.870 0.166 0.000 1.012 750 L CA -0.817 54.078 54.840 0.092 0.000 0.820 750 L CB 2.577 44.666 42.059 0.051 0.000 1.334 750 L HN 0.607 nan 8.230 nan 0.000 0.427 751 S N 0.797 116.585 115.700 0.146 0.000 2.454 751 S HA 0.698 5.168 4.470 0.000 0.000 0.306 751 S C -0.346 174.366 174.600 0.187 0.000 1.100 751 S CA -0.625 57.681 58.200 0.176 0.000 1.087 751 S CB 1.751 65.022 63.200 0.118 0.000 1.019 751 S HN 0.622 nan 8.310 nan 0.000 0.480 752 A N 3.901 126.878 122.820 0.262 0.000 2.289 752 A HA 0.549 4.869 4.320 0.000 0.000 0.298 752 A C 0.056 177.741 177.584 0.169 0.000 1.208 752 A CA -0.660 51.494 52.037 0.195 0.000 0.845 752 A CB 0.309 19.455 19.000 0.243 0.000 1.125 752 A HN 0.763 nan 8.150 nan 0.000 0.517 753 K N 1.515 121.986 120.400 0.118 0.000 2.106 753 K HA 0.472 4.792 4.320 0.000 0.000 0.246 753 K C 1.312 177.971 176.600 0.098 0.000 0.987 753 K CA -0.118 56.228 56.287 0.098 0.000 0.904 753 K CB 1.065 33.608 32.500 0.072 0.000 1.071 753 K HN 0.637 nan 8.250 nan 0.000 0.453 754 G N 0.341 109.191 108.800 0.084 0.000 2.448 754 G HA2 -0.185 3.776 3.960 0.000 0.000 0.218 754 G HA3 -0.185 3.776 3.960 0.000 0.000 0.218 754 G C 0.722 175.670 174.900 0.080 0.000 1.135 754 G CA 0.528 45.679 45.100 0.085 0.000 0.784 754 G HN 0.536 nan 8.290 nan 0.000 0.543 755 D N 0.640 121.078 120.400 0.064 0.000 2.183 755 D HA -0.040 4.600 4.640 0.000 0.000 0.203 755 D C 1.883 178.233 176.300 0.084 0.000 0.969 755 D CA 1.367 55.397 54.000 0.050 0.000 0.842 755 D CB 0.075 40.881 40.800 0.010 0.000 0.957 755 D HN 0.505 nan 8.370 nan 0.000 0.484 756 D N -1.911 118.562 120.400 0.122 0.000 2.479 756 D HA 0.116 4.756 4.640 0.000 0.000 0.216 756 D C 1.346 177.763 176.300 0.194 0.000 1.110 756 D CA 0.582 54.720 54.000 0.230 0.000 0.841 756 D CB -0.420 40.523 40.800 0.237 0.000 1.040 756 D HN 0.058 nan 8.370 nan 0.000 0.505 757 G N 0.514 109.391 108.800 0.128 0.000 2.356 757 G HA2 0.031 3.991 3.960 0.000 0.000 0.296 757 G HA3 0.031 3.991 3.960 0.000 0.000 0.296 757 G C 0.307 175.208 174.900 0.002 0.000 1.022 757 G CA 0.517 45.675 45.100 0.096 0.000 0.961 757 G HN 0.895 nan 8.290 nan 0.000 0.510 758 A N -0.733 122.074 122.820 -0.022 0.000 2.454 758 A HA 0.892 5.212 4.320 0.000 0.000 0.302 758 A C -0.256 177.283 177.584 -0.076 0.000 1.079 758 A CA -0.790 51.172 52.037 -0.125 0.000 0.731 758 A CB 1.457 20.340 19.000 -0.195 0.000 1.299 758 A HN 0.696 nan 8.150 nan 0.000 0.413 759 L N 1.126 122.280 121.223 -0.116 0.000 2.325 759 L HA 0.522 4.863 4.340 0.000 0.000 0.278 759 L C -1.036 175.889 176.870 0.092 0.000 1.023 759 L CA -0.633 54.225 54.840 0.029 0.000 0.811 759 L CB 1.659 43.757 42.059 0.065 0.000 1.249 759 L HN 0.815 nan 8.230 nan 0.000 0.431 760 Y N 4.290 124.628 120.300 0.063 0.000 2.391 760 Y HA 0.669 5.219 4.550 0.000 0.000 0.341 760 Y C -0.941 175.046 175.900 0.146 0.000 0.965 760 Y CA -0.986 57.123 58.100 0.015 0.000 1.067 760 Y CB 1.439 39.919 38.460 0.032 0.000 1.199 760 Y HN 0.436 nan 8.280 nan 0.000 0.450 761 F N 1.688 121.187 119.950 -0.751 0.000 2.817 761 F HA 0.633 5.160 4.527 0.000 0.000 0.317 761 F C -1.797 173.740 175.800 -0.439 0.000 1.168 761 F CA -1.281 56.404 58.000 -0.525 0.000 0.911 761 F CB 1.174 39.926 39.000 -0.414 0.000 1.337 761 F HN 0.375 nan 8.300 nan 0.000 0.464 762 E N 0.174 120.425 120.200 0.085 0.000 2.221 762 E HA 0.725 5.075 4.350 0.000 0.000 0.268 762 E C -0.676 176.200 176.600 0.459 0.000 0.933 762 E CA -1.302 55.220 56.400 0.202 0.000 0.809 762 E CB 2.265 32.090 29.700 0.209 0.000 1.190 762 E HN 1.067 nan 8.360 nan 0.000 0.406 763 G N 0.497 109.617 108.800 0.533 0.000 2.579 763 G HA2 0.359 4.320 3.960 0.000 0.000 0.292 763 G HA3 0.359 4.320 3.960 0.000 0.000 0.292 763 G C -0.568 174.725 174.900 0.654 0.000 1.484 763 G CA -0.565 44.863 45.100 0.547 0.000 0.813 763 G HN 0.462 nan 8.290 nan 0.000 0.515 764 T N -1.915 112.928 114.554 0.482 0.000 2.880 764 T HA 0.680 5.030 4.350 0.000 0.000 0.279 764 T C 0.649 175.641 174.700 0.487 0.000 0.990 764 T CA -0.129 62.243 62.100 0.453 0.000 0.938 764 T CB 1.223 70.244 68.868 0.254 0.000 1.206 764 T HN 0.916 nan 8.240 nan 0.000 0.573 765 E N -0.339 120.091 120.200 0.383 0.000 2.425 765 E HA 0.480 4.830 4.350 0.000 0.000 0.258 765 E C 0.492 177.233 176.600 0.235 0.000 1.151 765 E CA -0.651 55.924 56.400 0.292 0.000 0.958 765 E CB -0.228 29.597 29.700 0.209 0.000 0.968 765 E HN 1.218 nan 8.360 nan 0.000 0.451 766 G N 0.095 109.017 108.800 0.202 0.000 2.369 766 G HA2 0.146 4.106 3.960 0.000 0.000 0.295 766 G HA3 0.146 4.106 3.960 0.000 0.000 0.295 766 G C -0.907 174.058 174.900 0.108 0.000 1.298 766 G CA -0.388 44.759 45.100 0.078 0.000 0.940 766 G HN 0.900 nan 8.290 nan 0.000 0.536 767 T N -1.022 113.504 114.554 -0.047 0.000 2.756 767 T HA 0.690 5.041 4.350 0.000 0.000 0.290 767 T C -0.907 173.689 174.700 -0.174 0.000 0.985 767 T CA -0.450 61.634 62.100 -0.027 0.000 0.955 767 T CB 0.682 69.532 68.868 -0.031 0.000 0.930 767 T HN 0.595 nan 8.240 nan 0.000 0.451 768 Y N 2.960 123.073 120.300 -0.312 0.000 2.387 768 Y HA 0.715 5.265 4.550 0.000 0.000 0.330 768 Y C 0.849 176.485 175.900 -0.440 0.000 1.133 768 Y CA -1.087 56.728 58.100 -0.473 0.000 1.152 768 Y CB 1.259 39.362 38.460 -0.595 0.000 1.215 768 Y HN 0.439 nan 8.280 nan 0.000 0.466 769 R N 2.333 122.547 120.500 -0.477 0.000 2.686 769 R HA 0.511 4.852 4.340 0.000 0.000 0.286 769 R C -1.965 173.923 176.300 -0.686 0.000 0.969 769 R CA -1.208 54.673 56.100 -0.366 0.000 0.898 769 R CB 1.618 31.771 30.300 -0.244 0.000 1.183 769 R HN 0.556 nan 8.270 nan 0.000 0.456 770 F N 2.419 122.158 119.950 -0.351 0.000 2.518 770 F HA 0.519 5.047 4.527 0.000 0.000 0.323 770 F C 0.010 175.838 175.800 0.047 0.000 1.129 770 F CA -0.631 57.226 58.000 -0.238 0.000 0.920 770 F CB 1.465 40.042 39.000 -0.705 0.000 1.160 770 F HN 0.073 nan 8.300 nan 0.000 0.440 771 L N 3.282 124.652 121.223 0.245 0.000 2.333 771 L HA 0.836 5.176 4.340 0.000 0.000 0.269 771 L C -0.283 176.466 176.870 -0.202 0.000 1.010 771 L CA -0.983 53.883 54.840 0.044 0.000 0.818 771 L CB 2.267 44.300 42.059 -0.044 0.000 1.306 771 L HN 0.574 nan 8.230 nan 0.000 0.430 772 R N 0.000 120.232 120.500 -0.447 0.000 2.786 772 R HA 0.000 4.340 4.340 0.000 0.000 0.208 772 R CA 0.000 55.615 56.100 -0.809 0.000 0.921 772 R CB 0.000 29.323 30.300 -1.628 0.000 0.687 772 R HN 0.000 nan 8.270 nan 0.000 0.535