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 1oid_1_A DATA FIRST_RESID 26 DATA SEQUENCE YEQDKTYKIT VLHTNDHHGH FWRNEYGEYG LAAQKTLVDG IRKEVAAEGG DATA SEQUENCE SVLLLSGGDI NTGVPESDLQ DAEPDFRGMN LVGYDAMAIG NHEFDNPLTV DATA SEQUENCE LRQQEKWAKF PLLSANIYQK STGERLFKPW ALFKRQDLKI AVIGLTTDDT DATA SEQUENCE AKIGNPEYFT DIEFRKPADE AKLVIQELQQ TEKPDIIIAA THMGHYDNGE DATA SEQUENCE HGcNAPGDVE MARALPAGSL AMIVGGHSQD PVcMAAENKK QVDYVPGTPc DATA SEQUENCE KPDQQNGIWI VQAHEWGKYV GRADFEFRNG EMKMVNYQLI PVNLKKKVTW DATA SEQUENCE EDGKSERVLY TPEIAENQQM ISLLSPFQNK GKAQLEVKIG ETNGRLEGDR DATA SEQUENCE DKVRFVQTNM GRLILAAQMD RTGADFAVMS GGGIRDSIEA GDISYKNVLK DATA SEQUENCE VQPFGNVVVY ADMTGKEVID YLTAVAQMKP DSGAYPQFAN VSFVAKDGKL DATA SEQUENCE NDLKIKGEPV DPAKTYRMAT LNFNATGGDG YPRLDNKcGY VNTGFIDAEV DATA SEQUENCE LKAYIQKSSP LDVSVYEPKG EVSWQ 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 26 Y HA 0.000 nan 4.550 nan 0.000 0.201 26 Y C 0.000 176.010 175.900 0.184 0.000 1.272 26 Y CA 0.000 58.158 58.100 0.098 0.000 1.940 26 Y CB 0.000 38.495 38.460 0.059 0.000 1.050 27 E N 1.728 122.259 120.200 0.552 0.000 2.259 27 E HA 0.203 4.553 4.350 -0.000 0.000 0.281 27 E C -0.947 175.951 176.600 0.496 0.000 1.037 27 E CA -0.867 55.763 56.400 0.384 0.000 0.854 27 E CB 1.542 31.404 29.700 0.269 0.000 1.051 27 E HN 0.543 nan 8.360 nan 0.000 0.409 28 Q N 2.249 122.234 119.800 0.308 0.000 2.392 28 Q HA -0.058 4.282 4.340 -0.000 0.000 0.262 28 Q C -0.525 175.590 176.000 0.191 0.000 1.003 28 Q CA 0.388 56.362 55.803 0.286 0.000 0.888 28 Q CB 0.406 29.242 28.738 0.163 0.000 1.260 28 Q HN 0.398 nan 8.270 nan 0.000 0.435 29 D N 0.969 121.460 120.400 0.151 0.000 2.837 29 D HA -0.211 4.429 4.640 -0.000 0.000 0.230 29 D C -0.935 175.407 176.300 0.070 0.000 1.152 29 D CA 1.174 55.225 54.000 0.085 0.000 0.736 29 D CB -0.823 40.012 40.800 0.058 0.000 1.084 29 D HN 0.518 nan 8.370 nan 0.000 0.429 30 K N 0.093 120.557 120.400 0.107 0.000 2.324 30 K HA 0.424 4.744 4.320 -0.000 0.000 0.253 30 K C -0.792 175.834 176.600 0.044 0.000 0.932 30 K CA -0.433 55.864 56.287 0.017 0.000 0.799 30 K CB 1.402 33.879 32.500 -0.040 0.000 1.154 30 K HN -0.196 nan 8.250 nan 0.000 0.425 31 T N 3.942 118.479 114.554 -0.028 0.000 2.743 31 T HA 0.275 4.625 4.350 -0.000 0.000 0.293 31 T C -1.024 173.683 174.700 0.012 0.000 0.945 31 T CA -0.096 62.038 62.100 0.056 0.000 1.030 31 T CB -0.077 68.808 68.868 0.029 0.000 0.912 31 T HN 0.283 nan 8.240 nan 0.000 0.483 32 Y N 1.921 122.305 120.300 0.139 0.000 2.387 32 Y HA 0.465 5.015 4.550 -0.000 0.000 0.330 32 Y C 0.774 176.740 175.900 0.110 0.000 1.133 32 Y CA -1.110 57.061 58.100 0.119 0.000 1.152 32 Y CB 1.169 39.702 38.460 0.121 0.000 1.215 32 Y HN 0.366 nan 8.280 nan 0.000 0.466 33 K N 3.642 124.171 120.400 0.215 0.000 2.265 33 K HA 0.654 4.974 4.320 -0.000 0.000 0.267 33 K C -1.344 175.339 176.600 0.138 0.000 0.994 33 K CA -0.289 56.088 56.287 0.150 0.000 0.860 33 K CB 1.177 33.727 32.500 0.084 0.000 1.099 33 K HN 0.529 nan 8.250 nan 0.000 0.448 34 I N 1.750 122.408 120.570 0.147 0.000 2.534 34 I HA 0.193 4.363 4.170 -0.000 0.000 0.288 34 I C -0.611 175.592 176.117 0.145 0.000 1.077 34 I CA -0.532 60.834 61.300 0.110 0.000 1.051 34 I CB 2.512 40.552 38.000 0.066 0.000 1.234 34 I HN 0.436 nan 8.210 nan 0.000 0.425 35 T N 5.439 120.042 114.554 0.082 0.000 2.770 35 T HA 0.472 4.822 4.350 -0.000 0.000 0.283 35 T C -0.420 174.313 174.700 0.056 0.000 0.988 35 T CA -0.419 61.722 62.100 0.068 0.000 0.957 35 T CB 1.436 70.309 68.868 0.008 0.000 0.930 35 T HN 0.150 nan 8.240 nan 0.000 0.443 36 V N 5.977 125.962 119.914 0.118 0.000 2.347 36 V HA 0.453 4.573 4.120 -0.000 0.000 0.280 36 V C -0.136 176.015 176.094 0.094 0.000 1.021 36 V CA -0.726 61.632 62.300 0.097 0.000 0.847 36 V CB 0.968 32.895 31.823 0.172 0.000 0.990 36 V HN 0.712 nan 8.190 nan 0.000 0.444 37 L N 5.935 127.169 121.223 0.018 0.000 2.322 37 L HA 0.765 5.105 4.340 -0.000 0.000 0.279 37 L C -0.345 176.557 176.870 0.053 0.000 1.036 37 L CA -0.583 54.245 54.840 -0.020 0.000 0.807 37 L CB 1.522 43.499 42.059 -0.137 0.000 1.226 37 L HN 0.938 nan 8.230 nan 0.000 0.433 38 H N -0.651 118.395 119.070 -0.040 0.000 3.046 38 H HA 0.778 5.334 4.556 -0.000 0.000 0.363 38 H C -0.996 174.357 175.328 0.040 0.000 1.203 38 H CA -0.761 55.294 56.048 0.012 0.000 1.169 38 H CB 1.836 31.625 29.762 0.046 0.000 1.851 38 H HN 0.579 nan 8.280 nan 0.000 0.546 39 T N 0.559 115.176 114.554 0.104 0.000 2.804 39 T HA 0.630 4.980 4.350 -0.000 0.000 0.290 39 T C -0.962 173.801 174.700 0.104 0.000 1.099 39 T CA -0.800 61.341 62.100 0.069 0.000 1.011 39 T CB 2.085 70.991 68.868 0.065 0.000 1.291 39 T HN 1.167 nan 8.240 nan 0.000 0.523 40 N N -0.959 117.768 118.700 0.045 0.000 3.127 40 N HA 0.214 4.954 4.740 -0.000 0.000 0.239 40 N C -1.811 173.683 175.510 -0.027 0.000 1.407 40 N CA -0.608 52.436 53.050 -0.010 0.000 0.891 40 N CB 0.691 39.186 38.487 0.014 0.000 1.447 40 N HN 0.830 nan 8.380 nan 0.000 0.507 41 D N -0.169 120.162 120.400 -0.114 0.000 2.697 41 D HA -0.212 4.428 4.640 -0.000 0.000 0.235 41 D C 0.696 176.972 176.300 -0.041 0.000 1.167 41 D CA 1.190 55.077 54.000 -0.188 0.000 0.656 41 D CB -1.504 39.297 40.800 0.001 0.000 1.025 41 D HN 0.649 nan 8.370 nan 0.000 0.419 42 H N 0.204 119.182 119.070 -0.153 0.000 2.423 42 H HA -0.082 4.474 4.556 -0.000 0.000 0.297 42 H C 0.742 176.172 175.328 0.171 0.000 1.075 42 H CA 1.264 57.314 56.048 0.003 0.000 1.342 42 H CB 0.066 29.777 29.762 -0.084 0.000 1.395 42 H HN 0.582 nan 8.280 nan 0.000 0.530 43 H N -1.140 118.001 119.070 0.118 0.000 2.594 43 H HA -0.198 4.358 4.556 -0.000 0.000 0.316 43 H C 1.179 176.432 175.328 -0.125 0.000 1.107 43 H CA 0.294 56.370 56.048 0.048 0.000 1.133 43 H CB -1.318 28.570 29.762 0.210 0.000 1.459 43 H HN 0.776 nan 8.280 nan 0.000 0.411 44 G N -0.412 108.244 108.800 -0.240 0.000 2.141 44 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.242 44 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.242 44 G C 0.035 174.726 174.900 -0.348 0.000 0.982 44 G CA 0.344 45.289 45.100 -0.259 0.000 0.662 44 G HN 0.683 nan 8.290 nan 0.000 0.527 45 H N 0.451 119.347 119.070 -0.291 0.000 3.001 45 H HA 0.363 4.919 4.556 -0.000 0.000 0.248 45 H C 1.760 177.214 175.328 0.209 0.000 1.663 45 H CA 0.220 56.222 56.048 -0.077 0.000 1.258 45 H CB -0.871 28.866 29.762 -0.042 0.000 1.547 45 H HN 0.590 nan 8.280 nan 0.000 0.557 46 F N -2.267 117.823 119.950 0.235 0.000 2.234 46 F HA -0.054 4.473 4.527 -0.000 0.000 0.299 46 F C 0.937 176.925 175.800 0.314 0.000 1.087 46 F CA -0.123 58.065 58.000 0.314 0.000 1.340 46 F CB -0.109 38.994 39.000 0.171 0.000 1.031 46 F HN 0.224 nan 8.300 nan 0.000 0.500 47 W N 5.059 126.049 121.300 -0.518 0.000 2.381 47 W HA 0.302 4.962 4.660 -0.000 0.000 0.329 47 W C 0.576 177.035 176.519 -0.099 0.000 1.157 47 W CA -1.365 55.809 57.345 -0.285 0.000 1.240 47 W CB 0.967 30.116 29.460 -0.518 0.000 1.199 47 W HN 0.007 nan 8.180 nan 0.000 0.579 48 R N 3.317 123.652 120.500 -0.274 0.000 2.905 48 R HA -0.046 4.294 4.340 -0.000 0.000 0.273 48 R C 0.245 176.492 176.300 -0.089 0.000 1.033 48 R CA 0.126 56.106 56.100 -0.201 0.000 1.182 48 R CB 0.162 30.261 30.300 -0.336 0.000 1.097 48 R HN 0.530 nan 8.270 nan 0.000 0.504 49 N N -0.056 118.478 118.700 -0.276 0.000 2.476 49 N HA -0.090 4.650 4.740 -0.000 0.000 0.287 49 N C 0.530 175.919 175.510 -0.201 0.000 1.262 49 N CA -0.220 52.722 53.050 -0.179 0.000 0.980 49 N CB 0.314 38.663 38.487 -0.231 0.000 1.163 49 N HN 0.847 nan 8.380 nan 0.000 0.592 50 E N -0.720 119.302 120.200 -0.296 0.000 2.409 50 E HA -0.200 4.150 4.350 -0.000 0.000 0.198 50 E C -0.061 176.255 176.600 -0.474 0.000 1.024 50 E CA 1.096 57.261 56.400 -0.392 0.000 0.861 50 E CB -0.400 29.014 29.700 -0.478 0.000 0.788 50 E HN 0.677 nan 8.360 nan 0.000 0.521 51 Y N 0.011 120.284 120.300 -0.045 0.000 2.485 51 Y HA 0.392 4.942 4.550 -0.000 0.000 0.260 51 Y C 1.620 177.471 175.900 -0.082 0.000 1.173 51 Y CA 0.039 58.111 58.100 -0.046 0.000 1.252 51 Y CB 0.794 39.234 38.460 -0.033 0.000 1.123 51 Y HN 0.210 nan 8.280 nan 0.000 0.524 52 G N 0.159 108.934 108.800 -0.042 0.000 2.141 52 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.231 52 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.231 52 G C -0.074 174.735 174.900 -0.152 0.000 0.984 52 G CA -0.230 44.819 45.100 -0.085 0.000 0.660 52 G HN 0.398 nan 8.290 nan 0.000 0.525 53 E N -0.125 119.910 120.200 -0.276 0.000 2.283 53 E HA 0.561 4.911 4.350 -0.000 0.000 0.271 53 E C 0.997 177.203 176.600 -0.656 0.000 1.031 53 E CA -0.518 55.647 56.400 -0.391 0.000 0.868 53 E CB 0.812 30.271 29.700 -0.403 0.000 1.094 53 E HN 1.040 nan 8.360 nan 0.000 0.401 54 Y N 0.174 120.471 120.300 -0.004 0.000 2.896 54 Y HA -0.321 4.229 4.550 -0.000 0.000 0.464 54 Y C 0.487 176.368 175.900 -0.032 0.000 1.198 54 Y CA 0.309 58.401 58.100 -0.013 0.000 2.486 54 Y CB -1.959 36.511 38.460 0.017 0.000 1.234 54 Y HN 1.095 nan 8.280 nan 0.000 0.634 55 G N -1.121 107.858 108.800 0.299 0.000 2.692 55 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.686 55 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.686 55 G C -0.180 174.768 174.900 0.080 0.000 1.243 55 G CA -0.359 44.819 45.100 0.130 0.000 0.782 55 G HN 1.299 nan 8.290 nan 0.000 0.625 56 L N 1.057 122.343 121.223 0.106 0.000 2.291 56 L HA 0.058 4.398 4.340 -0.000 0.000 0.214 56 L C 3.147 180.037 176.870 0.033 0.000 1.120 56 L CA 1.678 56.563 54.840 0.076 0.000 0.799 56 L CB -0.601 41.546 42.059 0.147 0.000 0.925 56 L HN 0.895 nan 8.230 nan 0.000 0.446 57 A N 0.349 123.161 122.820 -0.014 0.000 1.873 57 A HA -0.147 4.173 4.320 -0.000 0.000 0.215 57 A C 2.537 180.094 177.584 -0.046 0.000 1.186 57 A CA 1.667 53.676 52.037 -0.046 0.000 0.616 57 A CB -0.573 18.352 19.000 -0.124 0.000 0.823 57 A HN 0.368 nan 8.150 nan 0.000 0.442 58 A N -1.071 121.714 122.820 -0.057 0.000 1.969 58 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 58 A C 2.151 179.719 177.584 -0.027 0.000 1.169 58 A CA 1.653 53.663 52.037 -0.043 0.000 0.635 58 A CB -0.542 18.430 19.000 -0.047 0.000 0.810 58 A HN 0.650 nan 8.150 nan 0.000 0.445 59 Q N -0.269 119.522 119.800 -0.015 0.000 2.061 59 Q HA -0.286 4.054 4.340 -0.000 0.000 0.204 59 Q C 2.102 178.085 176.000 -0.029 0.000 0.984 59 Q CA 2.229 58.021 55.803 -0.019 0.000 0.846 59 Q CB -0.118 28.615 28.738 -0.008 0.000 0.902 59 Q HN 0.579 nan 8.270 nan 0.000 0.421 60 K N -0.347 120.045 120.400 -0.014 0.000 2.026 60 K HA -0.108 4.212 4.320 -0.000 0.000 0.208 60 K C 1.895 178.480 176.600 -0.025 0.000 1.048 60 K CA 2.252 58.531 56.287 -0.014 0.000 0.929 60 K CB -0.669 31.835 32.500 0.007 0.000 0.713 60 K HN 0.137 nan 8.250 nan 0.000 0.439 61 T N 1.562 116.102 114.554 -0.024 0.000 2.665 61 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 61 T C 1.615 176.295 174.700 -0.033 0.000 1.035 61 T CA 1.576 63.660 62.100 -0.027 0.000 1.151 61 T CB -0.384 68.468 68.868 -0.028 0.000 0.862 61 T HN 0.241 nan 8.240 nan 0.000 0.438 62 L N 1.127 122.327 121.223 -0.039 0.000 2.027 62 L HA 0.010 4.349 4.340 -0.000 0.000 0.206 62 L C 2.414 179.248 176.870 -0.059 0.000 1.074 62 L CA 1.540 56.353 54.840 -0.046 0.000 0.745 62 L CB -0.706 41.325 42.059 -0.046 0.000 0.898 62 L HN 0.081 nan 8.230 nan 0.000 0.433 63 V N -0.157 119.714 119.914 -0.071 0.000 2.453 63 V HA -0.216 3.904 4.120 -0.000 0.000 0.247 63 V C 2.242 178.291 176.094 -0.074 0.000 1.048 63 V CA 1.647 63.891 62.300 -0.094 0.000 1.049 63 V CB -0.794 30.948 31.823 -0.134 0.000 0.672 63 V HN 0.427 nan 8.190 nan 0.000 0.457 64 D N 0.946 121.313 120.400 -0.054 0.000 2.123 64 D HA -0.137 4.503 4.640 -0.000 0.000 0.196 64 D C 2.213 178.491 176.300 -0.037 0.000 0.992 64 D CA 1.745 55.721 54.000 -0.039 0.000 0.833 64 D CB -0.571 40.214 40.800 -0.025 0.000 0.954 64 D HN 0.462 nan 8.370 nan 0.000 0.455 65 G N 0.437 109.215 108.800 -0.037 0.000 2.408 65 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.217 65 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.217 65 G C 1.810 176.687 174.900 -0.039 0.000 1.150 65 G CA 0.262 45.342 45.100 -0.034 0.000 0.776 65 G HN 0.268 nan 8.290 nan 0.000 0.542 66 I N 0.230 120.770 120.570 -0.051 0.000 2.208 66 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 66 I C 3.040 179.127 176.117 -0.050 0.000 1.097 66 I CA 1.079 62.345 61.300 -0.056 0.000 1.363 66 I CB -0.201 37.755 38.000 -0.074 0.000 1.051 66 I HN 0.083 nan 8.210 nan 0.000 0.413 67 R N 0.873 121.343 120.500 -0.051 0.000 2.073 67 R HA -0.170 4.170 4.340 -0.000 0.000 0.234 67 R C 2.336 178.619 176.300 -0.028 0.000 1.134 67 R CA 1.425 57.500 56.100 -0.042 0.000 0.952 67 R CB -0.293 29.982 30.300 -0.041 0.000 0.850 67 R HN 0.346 nan 8.270 nan 0.000 0.433 68 K N 0.387 120.772 120.400 -0.025 0.000 2.057 68 K HA -0.180 4.140 4.320 -0.000 0.000 0.207 68 K C 2.165 178.755 176.600 -0.017 0.000 1.049 68 K CA 1.161 57.438 56.287 -0.017 0.000 0.931 68 K CB -0.089 32.402 32.500 -0.015 0.000 0.714 68 K HN 0.148 nan 8.250 nan 0.000 0.440 69 E N 1.234 121.421 120.200 -0.023 0.000 2.051 69 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 69 E C 2.010 178.599 176.600 -0.019 0.000 0.991 69 E CA 1.244 57.631 56.400 -0.022 0.000 0.799 69 E CB -0.050 29.633 29.700 -0.028 0.000 0.748 69 E HN 0.037 nan 8.360 nan 0.000 0.449 70 V N 1.635 121.536 119.914 -0.022 0.000 2.287 70 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 70 V C 2.688 178.778 176.094 -0.007 0.000 1.053 70 V CA 2.035 64.325 62.300 -0.016 0.000 1.027 70 V CB -1.031 30.781 31.823 -0.019 0.000 0.646 70 V HN 0.406 nan 8.190 nan 0.000 0.447 71 A N -0.047 122.769 122.820 -0.007 0.000 1.902 71 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 71 A C 2.405 179.988 177.584 -0.001 0.000 1.181 71 A CA 2.068 54.105 52.037 -0.001 0.000 0.623 71 A CB -0.849 18.150 19.000 -0.001 0.000 0.818 71 A HN 0.611 nan 8.150 nan 0.000 0.443 72 A N -0.950 121.867 122.820 -0.005 0.000 2.076 72 A HA -0.110 4.210 4.320 -0.000 0.000 0.220 72 A C 1.703 179.284 177.584 -0.005 0.000 1.160 72 A CA 1.621 53.655 52.037 -0.005 0.000 0.653 72 A CB -0.237 18.758 19.000 -0.008 0.000 0.801 72 A HN 0.409 nan 8.150 nan 0.000 0.455 73 E N -1.489 118.708 120.200 -0.005 0.000 2.463 73 E HA 0.244 4.594 4.350 -0.000 0.000 0.193 73 E C 1.091 177.691 176.600 -0.000 0.000 1.041 73 E CA 0.564 56.962 56.400 -0.005 0.000 0.879 73 E CB 0.028 29.724 29.700 -0.007 0.000 0.997 73 E HN 0.742 nan 8.360 nan 0.000 0.478 74 G N 0.612 109.413 108.800 0.002 0.000 2.157 74 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.248 74 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.248 74 G C 0.583 175.495 174.900 0.019 0.000 0.979 74 G CA 0.090 45.193 45.100 0.005 0.000 0.650 74 G HN 0.503 nan 8.290 nan 0.000 0.529 75 G N -0.681 108.133 108.800 0.023 0.000 2.601 75 G HA2 0.867 4.827 3.960 -0.000 0.000 0.317 75 G HA3 0.867 4.827 3.960 -0.000 0.000 0.317 75 G C 0.017 174.937 174.900 0.033 0.000 1.246 75 G CA 0.479 45.602 45.100 0.039 0.000 1.012 75 G HN 1.418 nan 8.290 nan 0.000 0.494 76 S N -1.772 113.950 115.700 0.038 0.000 2.600 76 S HA 0.737 5.207 4.470 -0.000 0.000 0.300 76 S C -0.958 173.640 174.600 -0.002 0.000 1.087 76 S CA -0.759 57.452 58.200 0.018 0.000 0.965 76 S CB 2.003 65.219 63.200 0.025 0.000 1.089 76 S HN 0.533 nan 8.310 nan 0.000 0.496 77 V N 1.798 121.696 119.914 -0.027 0.000 2.513 77 V HA 0.597 4.717 4.120 -0.000 0.000 0.299 77 V C -0.952 175.084 176.094 -0.097 0.000 1.035 77 V CA -0.640 61.625 62.300 -0.058 0.000 0.889 77 V CB 1.387 33.169 31.823 -0.070 0.000 0.988 77 V HN 0.806 nan 8.190 nan 0.000 0.440 78 L N 5.494 126.644 121.223 -0.122 0.000 2.362 78 L HA 0.707 5.047 4.340 -0.000 0.000 0.275 78 L C -1.033 175.723 176.870 -0.189 0.000 0.998 78 L CA -0.445 54.270 54.840 -0.208 0.000 0.820 78 L CB 1.683 43.605 42.059 -0.227 0.000 1.270 78 L HN 0.617 nan 8.230 nan 0.000 0.415 79 L N 6.004 127.078 121.223 -0.248 0.000 2.319 79 L HA 0.690 5.030 4.340 -0.000 0.000 0.281 79 L C -1.657 175.084 176.870 -0.216 0.000 1.005 79 L CA -0.111 54.558 54.840 -0.285 0.000 0.828 79 L CB 1.237 43.004 42.059 -0.487 0.000 1.227 79 L HN 0.538 nan 8.230 nan 0.000 0.415 80 L N 3.318 124.505 121.223 -0.060 0.000 2.370 80 L HA 0.661 5.001 4.340 -0.000 0.000 0.266 80 L C -0.190 176.810 176.870 0.216 0.000 1.002 80 L CA -0.704 54.184 54.840 0.079 0.000 0.818 80 L CB 2.167 44.257 42.059 0.052 0.000 1.325 80 L HN 0.628 nan 8.230 nan 0.000 0.418 81 S N -0.010 115.810 115.700 0.200 0.000 2.454 81 S HA 0.497 4.967 4.470 -0.000 0.000 0.306 81 S C 0.742 175.368 174.600 0.044 0.000 1.100 81 S CA -0.307 57.954 58.200 0.101 0.000 1.087 81 S CB 1.597 64.743 63.200 -0.091 0.000 1.019 81 S HN 0.803 nan 8.310 nan 0.000 0.480 82 G N 2.476 111.278 108.800 0.003 0.000 3.124 82 G HA2 0.460 4.420 3.960 -0.000 0.000 0.212 82 G HA3 0.460 4.420 3.960 -0.000 0.000 0.212 82 G C 0.940 175.654 174.900 -0.310 0.000 1.181 82 G CA 0.188 45.239 45.100 -0.082 0.000 0.803 82 G HN 1.534 nan 8.290 nan 0.000 0.529 83 G N 0.188 108.860 108.800 -0.212 0.000 2.741 83 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.222 83 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.222 83 G C -0.141 174.589 174.900 -0.284 0.000 1.364 83 G CA -0.099 44.871 45.100 -0.217 0.000 0.866 83 G HN 0.773 nan 8.290 nan 0.000 0.555 84 D N -1.197 119.215 120.400 0.020 0.000 2.828 84 D HA -0.131 4.509 4.640 -0.000 0.000 0.241 84 D C 1.544 177.750 176.300 -0.156 0.000 1.142 84 D CA 0.952 55.011 54.000 0.099 0.000 0.755 84 D CB -0.705 40.215 40.800 0.199 0.000 1.014 84 D HN 0.615 nan 8.370 nan 0.000 0.420 85 I N -0.583 119.953 120.570 -0.056 0.000 2.286 85 I HA -0.101 4.069 4.170 -0.000 0.000 0.245 85 I C 1.422 177.489 176.117 -0.084 0.000 1.104 85 I CA 0.916 62.113 61.300 -0.170 0.000 1.397 85 I CB -0.591 37.143 38.000 -0.442 0.000 1.072 85 I HN 0.256 nan 8.210 nan 0.000 0.417 86 N N 2.099 120.868 118.700 0.116 0.000 2.518 86 N HA 0.068 4.808 4.740 -0.000 0.000 0.266 86 N C -0.325 175.364 175.510 0.298 0.000 1.196 86 N CA 0.741 53.925 53.050 0.224 0.000 0.947 86 N CB 0.626 39.298 38.487 0.309 0.000 1.098 86 N HN 0.177 nan 8.380 nan 0.000 0.450 87 T N 0.057 114.746 114.554 0.224 0.000 0.630 87 T HA 0.030 4.380 4.350 -0.000 0.000 0.765 87 T C 0.684 175.420 174.700 0.060 0.000 0.991 87 T CA 0.629 62.839 62.100 0.185 0.000 4.032 87 T CB -1.180 67.844 68.868 0.260 0.000 2.278 87 T HN 0.954 nan 8.240 nan 0.000 0.395 88 G N 0.843 109.643 108.800 -0.001 0.000 3.859 88 G HA2 0.348 4.308 3.960 -0.000 0.000 0.220 88 G HA3 0.348 4.308 3.960 -0.000 0.000 0.220 88 G C -0.418 174.344 174.900 -0.229 0.000 0.892 88 G CA 0.265 45.302 45.100 -0.105 0.000 0.858 88 G HN 1.358 nan 8.290 nan 0.000 0.625 89 V N 1.159 120.942 119.914 -0.218 0.000 2.655 89 V HA 0.357 4.477 4.120 -0.000 0.000 0.301 89 V C -1.637 174.375 176.094 -0.136 0.000 1.082 89 V CA -1.068 61.053 62.300 -0.298 0.000 0.899 89 V CB 2.452 33.964 31.823 -0.519 0.000 1.014 89 V HN -0.022 nan 8.190 nan 0.000 0.429 90 P HA -0.192 nan 4.420 nan 0.000 0.217 90 P C 1.266 178.546 177.300 -0.034 0.000 1.158 90 P CA 1.510 64.539 63.100 -0.118 0.000 0.887 90 P CB 0.463 31.862 31.700 -0.502 0.000 0.792 91 E N -1.016 119.147 120.200 -0.063 0.000 2.150 91 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 91 E C 2.179 178.903 176.600 0.207 0.000 0.985 91 E CA 1.319 57.759 56.400 0.067 0.000 0.814 91 E CB -0.809 28.937 29.700 0.076 0.000 0.752 91 E HN 0.181 nan 8.360 nan 0.000 0.466 92 S N 0.309 116.156 115.700 0.244 0.000 2.348 92 S HA -0.141 4.329 4.470 -0.000 0.000 0.219 92 S C 1.395 176.073 174.600 0.130 0.000 1.033 92 S CA 1.173 59.509 58.200 0.226 0.000 0.974 92 S CB -0.220 63.104 63.200 0.206 0.000 0.868 92 S HN 0.118 nan 8.310 nan 0.000 0.459 93 D N 1.653 122.126 120.400 0.121 0.000 2.123 93 D HA -0.073 4.567 4.640 -0.000 0.000 0.196 93 D C 1.815 178.206 176.300 0.153 0.000 0.992 93 D CA 1.022 55.110 54.000 0.147 0.000 0.833 93 D CB -0.522 40.376 40.800 0.164 0.000 0.954 93 D HN 0.401 nan 8.370 nan 0.000 0.455 94 L N -0.038 121.276 121.223 0.152 0.000 2.549 94 L HA -0.075 4.265 4.340 -0.000 0.000 0.229 94 L C 1.328 178.275 176.870 0.127 0.000 1.158 94 L CA 0.831 55.757 54.840 0.143 0.000 0.842 94 L CB -0.123 42.024 42.059 0.147 0.000 0.952 94 L HN -0.057 nan 8.230 nan 0.000 0.452 95 Q N -1.147 118.727 119.800 0.123 0.000 2.141 95 Q HA 0.082 4.422 4.340 -0.000 0.000 0.248 95 Q C -0.635 175.452 176.000 0.145 0.000 0.834 95 Q CA -0.275 55.599 55.803 0.118 0.000 1.096 95 Q CB 0.835 29.625 28.738 0.088 0.000 1.189 95 Q HN 0.120 nan 8.270 nan 0.000 0.471 96 D N 0.647 121.158 120.400 0.185 0.000 2.772 96 D HA -0.248 4.392 4.640 -0.000 0.000 0.233 96 D C 0.390 176.891 176.300 0.334 0.000 1.143 96 D CA 1.157 55.311 54.000 0.258 0.000 0.700 96 D CB -1.183 39.800 40.800 0.306 0.000 1.076 96 D HN 0.581 nan 8.370 nan 0.000 0.430 97 A N -0.818 122.127 122.820 0.209 0.000 2.861 97 A HA -0.395 3.925 4.320 -0.000 0.000 0.261 97 A C 1.583 179.242 177.584 0.125 0.000 1.351 97 A CA 2.450 54.594 52.037 0.179 0.000 0.904 97 A CB -2.010 17.172 19.000 0.302 0.000 1.076 97 A HN 0.599 nan 8.150 nan 0.000 0.729 98 E N 0.149 120.261 120.200 -0.147 0.000 2.070 98 E HA -0.196 4.154 4.350 -0.000 0.000 0.197 98 E C -0.274 175.783 176.600 -0.905 0.000 1.004 98 E CA 1.502 57.436 56.400 -0.777 0.000 0.805 98 E CB -0.442 28.551 29.700 -1.179 0.000 0.744 98 E HN 0.636 nan 8.360 nan 0.000 0.451 99 P HA -0.158 nan 4.420 nan 0.000 0.215 99 P C 0.349 177.312 177.300 -0.562 0.000 1.153 99 P CA 1.836 64.152 63.100 -1.306 0.000 0.853 99 P CB -0.125 30.523 31.700 -1.754 0.000 0.788 100 D N -0.466 119.731 120.400 -0.339 0.000 2.092 100 D HA -0.164 4.476 4.640 -0.000 0.000 0.193 100 D C 1.814 178.059 176.300 -0.092 0.000 0.994 100 D CA 1.185 55.122 54.000 -0.105 0.000 0.828 100 D CB -0.934 39.721 40.800 -0.242 0.000 0.963 100 D HN 0.116 nan 8.370 nan 0.000 0.450 101 F N 0.933 120.887 119.950 0.008 0.000 2.146 101 F HA -0.009 4.518 4.527 -0.000 0.000 0.298 101 F C 2.415 178.267 175.800 0.087 0.000 1.096 101 F CA 0.985 59.055 58.000 0.117 0.000 1.275 101 F CB -0.191 38.910 39.000 0.169 0.000 1.008 101 F HN -0.172 nan 8.300 nan 0.000 0.480 102 R N -0.113 120.437 120.500 0.084 0.000 2.081 102 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 102 R C 2.560 178.917 176.300 0.096 0.000 1.131 102 R CA 1.207 57.330 56.100 0.039 0.000 0.960 102 R CB -1.311 28.922 30.300 -0.111 0.000 0.856 102 R HN 0.405 nan 8.270 nan 0.000 0.436 103 G N 1.153 109.988 108.800 0.058 0.000 2.418 103 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 103 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 103 G C 1.475 176.478 174.900 0.171 0.000 1.158 103 G CA 0.591 45.759 45.100 0.114 0.000 0.771 103 G HN 0.164 nan 8.290 nan 0.000 0.545 104 M N 0.651 120.365 119.600 0.191 0.000 2.202 104 M HA -0.076 4.404 4.480 -0.000 0.000 0.262 104 M C 2.319 178.862 176.300 0.404 0.000 1.063 104 M CA 0.984 56.438 55.300 0.255 0.000 1.097 104 M CB -0.296 32.322 32.600 0.029 0.000 1.382 104 M HN 0.131 nan 8.290 nan 0.000 0.413 105 N N 0.611 119.570 118.700 0.432 0.000 2.166 105 N HA -0.134 4.606 4.740 -0.000 0.000 0.186 105 N C 1.541 177.194 175.510 0.238 0.000 1.019 105 N CA 1.121 54.401 53.050 0.384 0.000 0.856 105 N CB -0.418 38.247 38.487 0.296 0.000 0.993 105 N HN 0.229 nan 8.380 nan 0.000 0.426 106 L N 0.684 122.017 121.223 0.183 0.000 2.156 106 L HA 0.030 4.370 4.340 -0.000 0.000 0.208 106 L C 1.831 178.757 176.870 0.094 0.000 1.095 106 L CA 0.976 55.890 54.840 0.124 0.000 0.770 106 L CB -0.338 41.784 42.059 0.106 0.000 0.914 106 L HN -0.114 nan 8.230 nan 0.000 0.439 107 V N 0.327 120.308 119.914 0.111 0.000 2.427 107 V HA 0.094 4.214 4.120 -0.000 0.000 0.248 107 V C 1.612 177.687 176.094 -0.031 0.000 1.051 107 V CA 1.170 63.490 62.300 0.034 0.000 1.048 107 V CB -1.254 30.604 31.823 0.057 0.000 0.666 107 V HN 0.695 nan 8.190 nan 0.000 0.456 108 G N -1.226 107.598 108.800 0.041 0.000 2.288 108 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.205 108 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.205 108 G C -0.298 174.531 174.900 -0.118 0.000 1.071 108 G CA -0.490 44.613 45.100 0.005 0.000 0.788 108 G HN 0.355 nan 8.290 nan 0.000 0.491 109 Y N 0.661 120.830 120.300 -0.217 0.000 2.702 109 Y HA 0.172 4.722 4.550 -0.000 0.000 0.336 109 Y C 1.675 177.413 175.900 -0.270 0.000 1.235 109 Y CA 0.761 58.597 58.100 -0.439 0.000 1.492 109 Y CB 0.606 38.459 38.460 -1.011 0.000 1.308 109 Y HN 0.242 nan 8.280 nan 0.000 0.589 110 D N 1.218 121.554 120.400 -0.106 0.000 2.277 110 D HA 0.249 4.889 4.640 -0.000 0.000 0.209 110 D C 0.208 176.660 176.300 0.252 0.000 0.970 110 D CA 0.921 54.931 54.000 0.017 0.000 0.874 110 D CB 0.458 41.034 40.800 -0.373 0.000 0.982 110 D HN 0.510 nan 8.370 nan 0.000 0.504 111 A N 0.063 122.985 122.820 0.169 0.000 2.601 111 A HA 0.635 4.955 4.320 -0.000 0.000 0.291 111 A C -1.614 176.121 177.584 0.252 0.000 1.075 111 A CA -0.630 51.620 52.037 0.355 0.000 0.671 111 A CB 1.871 21.113 19.000 0.404 0.000 1.277 111 A HN 0.043 nan 8.150 nan 0.000 0.417 112 M N 1.081 120.879 119.600 0.330 0.000 2.433 112 M HA 0.718 5.198 4.480 -0.000 0.000 0.290 112 M C -0.629 175.786 176.300 0.191 0.000 1.173 112 M CA -0.587 54.850 55.300 0.228 0.000 0.905 112 M CB 1.954 34.751 32.600 0.329 0.000 1.692 112 M HN 1.557 nan 8.290 nan 0.000 0.462 113 A N 4.228 127.124 122.820 0.127 0.000 2.388 113 A HA 0.551 4.871 4.320 -0.000 0.000 0.257 113 A C -0.372 177.275 177.584 0.104 0.000 1.095 113 A CA -0.502 51.602 52.037 0.112 0.000 0.791 113 A CB 0.050 19.113 19.000 0.104 0.000 1.029 113 A HN 0.877 nan 8.150 nan 0.000 0.489 114 I N 2.251 122.866 120.570 0.075 0.000 2.533 114 I HA 0.252 4.422 4.170 -0.000 0.000 0.284 114 I C 1.219 177.494 176.117 0.263 0.000 1.109 114 I CA 0.483 61.822 61.300 0.064 0.000 1.412 114 I CB 0.775 38.673 38.000 -0.170 0.000 1.396 114 I HN 0.716 nan 8.210 nan 0.000 0.543 115 G N 4.280 113.312 108.800 0.387 0.000 2.491 115 G HA2 0.133 4.093 3.960 -0.000 0.000 0.327 115 G HA3 0.133 4.093 3.960 -0.000 0.000 0.327 115 G C 0.850 175.953 174.900 0.338 0.000 1.189 115 G CA -0.638 44.904 45.100 0.736 0.000 0.956 115 G HN 0.716 nan 8.290 nan 0.000 0.491 116 N N -0.190 118.551 118.700 0.068 0.000 2.166 116 N HA -0.184 4.556 4.740 -0.000 0.000 0.186 116 N C 1.342 176.985 175.510 0.221 0.000 1.019 116 N CA 1.593 54.704 53.050 0.102 0.000 0.856 116 N CB -0.463 37.898 38.487 -0.209 0.000 0.993 116 N HN 0.659 nan 8.380 nan 0.000 0.426 117 H N -0.038 119.209 119.070 0.294 0.000 2.546 117 H HA 0.102 4.658 4.556 -0.000 0.000 0.277 117 H C 1.233 176.725 175.328 0.275 0.000 1.004 117 H CA 0.629 56.865 56.048 0.314 0.000 1.231 117 H CB 0.161 30.126 29.762 0.338 0.000 1.382 117 H HN 0.262 nan 8.280 nan 0.000 0.580 118 E N -0.273 120.085 120.200 0.263 0.000 2.331 118 E HA -0.127 4.223 4.350 -0.000 0.000 0.199 118 E C 0.265 176.707 176.600 -0.263 0.000 1.008 118 E CA 0.797 57.190 56.400 -0.011 0.000 0.843 118 E CB -0.101 29.504 29.700 -0.158 0.000 0.761 118 E HN 0.512 nan 8.360 nan 0.000 0.507 119 F N -0.341 119.799 119.950 0.316 0.000 2.639 119 F HA 0.161 4.688 4.527 -0.000 0.000 0.302 119 F C 1.167 177.207 175.800 0.401 0.000 1.097 119 F CA -0.239 57.985 58.000 0.372 0.000 1.294 119 F CB 0.480 39.842 39.000 0.602 0.000 1.027 119 F HN -0.116 nan 8.300 nan 0.000 0.550 120 D N 0.227 120.905 120.400 0.463 0.000 2.178 120 D HA -0.080 4.560 4.640 -0.000 0.000 0.202 120 D C 0.373 176.940 176.300 0.444 0.000 0.974 120 D CA 1.082 55.374 54.000 0.487 0.000 0.841 120 D CB -0.135 40.987 40.800 0.537 0.000 0.953 120 D HN 0.289 nan 8.370 nan 0.000 0.478 121 N N 0.388 119.273 118.700 0.308 0.000 2.477 121 N HA 0.314 5.054 4.740 -0.000 0.000 0.284 121 N C -2.503 172.984 175.510 -0.038 0.000 1.182 121 N CA -1.348 51.818 53.050 0.193 0.000 0.949 121 N CB 1.441 39.996 38.487 0.114 0.000 1.204 121 N HN -0.135 nan 8.380 nan 0.000 0.526 122 P HA 0.007 nan 4.420 nan 0.000 0.273 122 P C 0.536 177.679 177.300 -0.261 0.000 1.250 122 P CA -0.412 62.382 63.100 -0.511 0.000 0.793 122 P CB 0.625 32.087 31.700 -0.397 0.000 1.011 123 L N 1.062 122.146 121.223 -0.233 0.000 2.127 123 L HA -0.155 4.185 4.340 -0.000 0.000 0.211 123 L C 2.521 179.305 176.870 -0.144 0.000 1.089 123 L CA 2.541 57.306 54.840 -0.124 0.000 0.757 123 L CB -2.396 39.615 42.059 -0.080 0.000 0.899 123 L HN 0.522 nan 8.230 nan 0.000 0.434 124 T N -4.270 110.191 114.554 -0.154 0.000 2.699 124 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 124 T C 1.934 176.519 174.700 -0.192 0.000 1.036 124 T CA 1.649 63.658 62.100 -0.153 0.000 1.147 124 T CB -0.898 67.897 68.868 -0.121 0.000 0.862 124 T HN 0.118 nan 8.240 nan 0.000 0.446 125 V N 1.261 121.067 119.914 -0.179 0.000 2.407 125 V HA 0.042 4.162 4.120 -0.000 0.000 0.245 125 V C 2.511 178.436 176.094 -0.283 0.000 1.041 125 V CA 1.301 63.473 62.300 -0.212 0.000 1.040 125 V CB -0.637 31.124 31.823 -0.105 0.000 0.671 125 V HN 0.404 nan 8.190 nan 0.000 0.455 126 L N 0.155 121.247 121.223 -0.218 0.000 2.093 126 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 126 L C 2.538 179.252 176.870 -0.260 0.000 1.085 126 L CA 1.823 56.526 54.840 -0.230 0.000 0.755 126 L CB -0.671 41.282 42.059 -0.177 0.000 0.904 126 L HN 0.120 nan 8.230 nan 0.000 0.435 127 R N -0.463 119.900 120.500 -0.228 0.000 2.092 127 R HA -0.124 4.216 4.340 -0.000 0.000 0.231 127 R C 2.205 178.285 176.300 -0.366 0.000 1.119 127 R CA 1.275 57.236 56.100 -0.231 0.000 0.970 127 R CB -0.907 29.281 30.300 -0.186 0.000 0.864 127 R HN 0.456 nan 8.270 nan 0.000 0.440 128 Q N 1.500 121.009 119.800 -0.485 0.000 2.124 128 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 128 Q C 1.892 177.196 176.000 -1.159 0.000 0.977 128 Q CA 1.733 57.058 55.803 -0.797 0.000 0.850 128 Q CB -0.109 28.081 28.738 -0.913 0.000 0.901 128 Q HN 0.423 nan 8.270 nan 0.000 0.429 129 Q N -0.204 119.014 119.800 -0.971 0.000 2.124 129 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 129 Q C 2.013 177.578 176.000 -0.725 0.000 0.977 129 Q CA 1.527 56.757 55.803 -0.955 0.000 0.850 129 Q CB -0.100 27.971 28.738 -1.113 0.000 0.901 129 Q HN 0.529 nan 8.270 nan 0.000 0.429 130 E N 0.291 120.186 120.200 -0.508 0.000 2.150 130 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 130 E C 1.841 178.272 176.600 -0.281 0.000 0.985 130 E CA 0.606 56.807 56.400 -0.332 0.000 0.814 130 E CB 0.199 29.781 29.700 -0.197 0.000 0.752 130 E HN 0.138 nan 8.360 nan 0.000 0.466 131 K N -0.172 120.044 120.400 -0.307 0.000 2.186 131 K HA -0.066 4.254 4.320 -0.000 0.000 0.202 131 K C 1.748 178.304 176.600 -0.073 0.000 1.052 131 K CA 0.389 56.556 56.287 -0.201 0.000 0.965 131 K CB 0.001 32.376 32.500 -0.209 0.000 0.746 131 K HN 0.214 nan 8.250 nan 0.000 0.457 132 W N 1.533 122.711 121.300 -0.204 0.000 2.358 132 W HA 0.024 4.684 4.660 -0.000 0.000 0.303 132 W C 1.009 177.432 176.519 -0.160 0.000 1.208 132 W CA 0.026 57.277 57.345 -0.156 0.000 1.274 132 W CB -0.898 28.457 29.460 -0.175 0.000 1.138 132 W HN -0.134 nan 8.180 nan 0.000 0.515 133 A N 1.577 124.349 122.820 -0.080 0.000 2.450 133 A HA 0.172 4.492 4.320 -0.000 0.000 0.255 133 A C 1.135 178.529 177.584 -0.317 0.000 1.096 133 A CA -0.113 51.690 52.037 -0.391 0.000 0.778 133 A CB 0.369 18.803 19.000 -0.943 0.000 1.031 133 A HN -0.018 nan 8.150 nan 0.000 0.494 134 K N 1.710 122.031 120.400 -0.132 0.000 2.458 134 K HA 0.145 4.465 4.320 -0.000 0.000 0.194 134 K C -0.587 176.113 176.600 0.166 0.000 1.024 134 K CA 0.350 56.674 56.287 0.061 0.000 1.108 134 K CB -0.572 32.039 32.500 0.186 0.000 0.846 134 K HN 0.700 nan 8.250 nan 0.000 0.518 135 F N -0.151 119.905 119.950 0.177 0.000 2.577 135 F HA 0.627 5.154 4.527 -0.000 0.000 0.318 135 F C -2.765 173.139 175.800 0.172 0.000 1.065 135 F CA -3.546 54.575 58.000 0.201 0.000 0.929 135 F CB 0.396 39.544 39.000 0.245 0.000 1.237 135 F HN -0.264 nan 8.300 nan 0.000 0.468 136 P HA 0.253 nan 4.420 nan 0.000 0.275 136 P C -0.933 176.516 177.300 0.248 0.000 1.227 136 P CA -0.202 63.008 63.100 0.184 0.000 0.781 136 P CB 1.052 32.863 31.700 0.184 0.000 0.906 137 L N 3.550 124.852 121.223 0.132 0.000 2.262 137 L HA 0.410 4.750 4.340 -0.000 0.000 0.288 137 L C 0.130 177.052 176.870 0.087 0.000 1.035 137 L CA -0.547 54.372 54.840 0.132 0.000 0.820 137 L CB 0.383 42.465 42.059 0.039 0.000 1.204 137 L HN 0.213 nan 8.230 nan 0.000 0.424 138 L N 2.974 124.259 121.223 0.104 0.000 2.317 138 L HA 0.586 4.926 4.340 -0.000 0.000 0.281 138 L C 0.124 177.028 176.870 0.057 0.000 1.024 138 L CA -0.217 54.685 54.840 0.103 0.000 0.810 138 L CB 1.864 44.018 42.059 0.159 0.000 1.240 138 L HN 0.567 nan 8.230 nan 0.000 0.427 139 S N 0.969 116.714 115.700 0.075 0.000 2.626 139 S HA 0.537 5.007 4.470 -0.000 0.000 0.275 139 S C 0.189 174.852 174.600 0.105 0.000 1.175 139 S CA -0.002 58.250 58.200 0.087 0.000 0.982 139 S CB 1.688 64.903 63.200 0.025 0.000 1.093 139 S HN 0.698 nan 8.310 nan 0.000 0.472 140 A N 3.625 126.509 122.820 0.107 0.000 2.132 140 A HA 0.122 4.442 4.320 -0.000 0.000 0.213 140 A C 1.482 179.115 177.584 0.083 0.000 1.154 140 A CA 0.865 52.952 52.037 0.083 0.000 0.753 140 A CB -0.293 18.800 19.000 0.156 0.000 0.826 140 A HN 0.891 nan 8.150 nan 0.000 0.469 141 N N -0.161 118.617 118.700 0.130 0.000 2.230 141 N HA 0.158 4.898 4.740 -0.000 0.000 0.202 141 N C -0.254 175.368 175.510 0.187 0.000 1.119 141 N CA -0.044 53.138 53.050 0.220 0.000 0.851 141 N CB 0.200 38.802 38.487 0.191 0.000 0.990 141 N HN 0.393 nan 8.380 nan 0.000 0.497 142 I N 1.383 121.963 120.570 0.017 0.000 2.339 142 I HA 0.312 4.482 4.170 -0.000 0.000 0.290 142 I C -0.945 175.066 176.117 -0.177 0.000 0.994 142 I CA -0.775 60.453 61.300 -0.121 0.000 1.191 142 I CB 0.658 38.624 38.000 -0.056 0.000 1.343 142 I HN -0.139 nan 8.210 nan 0.000 0.458 143 Y N 3.647 123.843 120.300 -0.173 0.000 2.562 143 Y HA 0.358 4.908 4.550 -0.000 0.000 0.343 143 Y C 0.149 175.974 175.900 -0.125 0.000 1.025 143 Y CA -0.711 57.319 58.100 -0.116 0.000 1.082 143 Y CB 1.684 40.097 38.460 -0.080 0.000 1.264 143 Y HN 0.451 nan 8.280 nan 0.000 0.478 144 Q N 2.232 122.066 119.800 0.055 0.000 2.286 144 Q HA 0.189 4.529 4.340 -0.000 0.000 0.257 144 Q C 0.259 176.288 176.000 0.049 0.000 0.941 144 Q CA -0.243 55.571 55.803 0.018 0.000 0.912 144 Q CB 0.950 29.674 28.738 -0.022 0.000 1.192 144 Q HN 0.745 nan 8.270 nan 0.000 0.410 145 K N 1.156 121.575 120.400 0.032 0.000 2.103 145 K HA -0.103 4.217 4.320 -0.000 0.000 0.204 145 K C 1.906 178.516 176.600 0.017 0.000 1.052 145 K CA 1.550 57.852 56.287 0.025 0.000 0.945 145 K CB 0.186 32.702 32.500 0.027 0.000 0.722 145 K HN 0.689 nan 8.250 nan 0.000 0.443 146 S N 0.146 115.855 115.700 0.014 0.000 2.436 146 S HA -0.085 4.385 4.470 -0.000 0.000 0.228 146 S C 1.952 176.555 174.600 0.005 0.000 1.014 146 S CA 1.312 59.517 58.200 0.007 0.000 0.950 146 S CB -0.255 62.948 63.200 0.004 0.000 0.784 146 S HN 0.373 nan 8.310 nan 0.000 0.504 147 T N -3.640 110.919 114.554 0.008 0.000 2.971 147 T HA 0.511 4.861 4.350 -0.000 0.000 0.252 147 T C 1.595 176.311 174.700 0.026 0.000 1.022 147 T CA 0.580 62.685 62.100 0.009 0.000 0.980 147 T CB -0.116 68.750 68.868 -0.003 0.000 1.044 147 T HN 1.094 nan 8.240 nan 0.000 0.501 148 G N 1.573 110.404 108.800 0.052 0.000 2.168 148 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.257 148 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.257 148 G C -0.262 174.771 174.900 0.222 0.000 0.997 148 G CA 0.310 45.468 45.100 0.098 0.000 0.708 148 G HN 0.677 nan 8.290 nan 0.000 0.520 149 E N -0.133 120.150 120.200 0.139 0.000 2.242 149 E HA 0.436 4.786 4.350 -0.000 0.000 0.275 149 E C 0.693 177.238 176.600 -0.093 0.000 1.002 149 E CA -0.983 55.452 56.400 0.057 0.000 0.841 149 E CB 1.007 30.687 29.700 -0.033 0.000 1.109 149 E HN 0.270 nan 8.360 nan 0.000 0.394 150 R N 1.644 121.937 120.500 -0.345 0.000 2.585 150 R HA -0.042 4.298 4.340 -0.000 0.000 0.275 150 R C 0.819 176.877 176.300 -0.402 0.000 1.018 150 R CA -0.103 55.640 56.100 -0.596 0.000 1.072 150 R CB 0.359 30.355 30.300 -0.506 0.000 0.953 150 R HN 0.404 nan 8.270 nan 0.000 0.419 151 L N 3.133 124.092 121.223 -0.440 0.000 2.313 151 L HA 0.061 4.401 4.340 -0.000 0.000 0.214 151 L C 0.009 176.280 176.870 -0.997 0.000 1.119 151 L CA 1.455 55.899 54.840 -0.661 0.000 0.809 151 L CB 0.015 41.605 42.059 -0.782 0.000 0.933 151 L HN 0.432 nan 8.230 nan 0.000 0.449 152 F N -1.891 117.966 119.950 -0.155 0.000 2.631 152 F HA 0.402 4.929 4.527 -0.000 0.000 0.328 152 F C 0.378 176.078 175.800 -0.167 0.000 1.067 152 F CA -1.500 56.428 58.000 -0.120 0.000 0.969 152 F CB 0.784 39.753 39.000 -0.053 0.000 1.332 152 F HN -0.423 nan 8.300 nan 0.000 0.490 153 K N 2.587 123.013 120.400 0.044 0.000 2.412 153 K HA 0.110 4.430 4.320 -0.000 0.000 0.281 153 K C -1.883 174.665 176.600 -0.086 0.000 1.027 153 K CA -1.151 55.070 56.287 -0.110 0.000 0.989 153 K CB 0.568 33.002 32.500 -0.110 0.000 0.935 153 K HN 0.251 nan 8.250 nan 0.000 0.475 154 P HA -0.049 nan 4.420 nan 0.000 0.226 154 P C -0.750 176.615 177.300 0.108 0.000 1.161 154 P CA 0.922 63.971 63.100 -0.085 0.000 0.804 154 P CB 0.103 31.692 31.700 -0.185 0.000 0.829 155 W N -1.058 120.275 121.300 0.055 0.000 3.005 155 W HA 0.734 5.394 4.660 -0.000 0.000 0.343 155 W C -2.247 174.291 176.519 0.031 0.000 1.243 155 W CA -1.680 55.700 57.345 0.059 0.000 1.186 155 W CB 0.361 29.849 29.460 0.046 0.000 1.453 155 W HN -0.044 nan 8.180 nan 0.000 0.575 156 A N 1.868 124.938 122.820 0.417 0.000 2.454 156 A HA 0.873 5.193 4.320 -0.000 0.000 0.302 156 A C -1.876 175.718 177.584 0.015 0.000 1.079 156 A CA -1.054 51.077 52.037 0.156 0.000 0.731 156 A CB 1.399 20.398 19.000 -0.002 0.000 1.299 156 A HN 0.800 nan 8.150 nan 0.000 0.413 157 L N 1.067 122.157 121.223 -0.220 0.000 2.329 157 L HA 0.691 5.031 4.340 -0.000 0.000 0.279 157 L C -1.291 175.234 176.870 -0.574 0.000 1.014 157 L CA -0.327 54.378 54.840 -0.225 0.000 0.814 157 L CB 1.492 43.514 42.059 -0.063 0.000 1.257 157 L HN 0.692 nan 8.230 nan 0.000 0.424 158 F N 1.135 121.107 119.950 0.036 0.000 2.563 158 F HA 0.478 5.005 4.527 -0.000 0.000 0.316 158 F C -0.013 175.782 175.800 -0.008 0.000 1.076 158 F CA -0.842 57.172 58.000 0.023 0.000 0.921 158 F CB 2.023 41.034 39.000 0.018 0.000 1.209 158 F HN 0.257 nan 8.300 nan 0.000 0.462 159 K N 2.840 123.336 120.400 0.160 0.000 2.265 159 K HA 0.556 4.876 4.320 -0.000 0.000 0.267 159 K C -0.962 175.690 176.600 0.086 0.000 0.994 159 K CA -0.678 55.658 56.287 0.082 0.000 0.860 159 K CB 0.731 33.266 32.500 0.058 0.000 1.099 159 K HN 0.545 nan 8.250 nan 0.000 0.448 160 R N 4.094 124.617 120.500 0.037 0.000 2.502 160 R HA 0.191 4.531 4.340 -0.000 0.000 0.300 160 R C -0.200 176.122 176.300 0.037 0.000 0.984 160 R CA -0.387 55.733 56.100 0.034 0.000 0.882 160 R CB 1.537 31.840 30.300 0.006 0.000 1.180 160 R HN 1.006 nan 8.270 nan 0.000 0.444 161 Q N 0.668 120.515 119.800 0.079 0.000 1.748 161 Q HA -0.308 4.032 4.340 -0.000 0.000 0.350 161 Q C -0.354 175.708 176.000 0.103 0.000 0.773 161 Q CA 2.274 58.154 55.803 0.128 0.000 0.909 161 Q CB -0.834 28.057 28.738 0.255 0.000 3.006 161 Q HN 0.774 nan 8.270 nan 0.000 0.690 162 D N 0.151 120.628 120.400 0.128 0.000 2.571 162 D HA 0.370 5.010 4.640 -0.000 0.000 0.239 162 D C -0.265 176.015 176.300 -0.034 0.000 1.267 162 D CA -0.134 53.909 54.000 0.072 0.000 0.823 162 D CB 0.036 40.914 40.800 0.131 0.000 1.056 162 D HN 0.166 nan 8.370 nan 0.000 0.494 163 L N 0.535 121.664 121.223 -0.156 0.000 2.350 163 L HA 0.338 4.678 4.340 -0.000 0.000 0.275 163 L C 0.536 177.313 176.870 -0.156 0.000 1.099 163 L CA -0.766 53.896 54.840 -0.296 0.000 0.808 163 L CB 1.364 43.082 42.059 -0.569 0.000 1.149 163 L HN 0.000 nan 8.230 nan 0.000 0.442 164 K N 4.090 124.404 120.400 -0.143 0.000 2.253 164 K HA 0.534 4.854 4.320 -0.000 0.000 0.277 164 K C -1.086 175.452 176.600 -0.102 0.000 1.053 164 K CA -0.427 55.809 56.287 -0.084 0.000 0.892 164 K CB 0.767 33.229 32.500 -0.063 0.000 1.102 164 K HN 0.498 nan 8.250 nan 0.000 0.469 165 I N 3.586 124.138 120.570 -0.030 0.000 2.389 165 I HA 0.329 4.499 4.170 -0.000 0.000 0.288 165 I C -0.280 175.891 176.117 0.090 0.000 0.999 165 I CA -0.836 60.463 61.300 -0.002 0.000 1.129 165 I CB 1.928 39.938 38.000 0.016 0.000 1.288 165 I HN 0.612 nan 8.210 nan 0.000 0.444 166 A N 6.434 129.266 122.820 0.020 0.000 2.305 166 A HA 0.789 5.109 4.320 -0.000 0.000 0.322 166 A C -0.623 177.038 177.584 0.127 0.000 1.187 166 A CA -0.491 51.569 52.037 0.038 0.000 0.825 166 A CB 1.193 20.101 19.000 -0.154 0.000 1.164 166 A HN 0.462 nan 8.150 nan 0.000 0.498 167 V N 4.150 124.220 119.914 0.259 0.000 2.409 167 V HA 0.352 4.472 4.120 -0.000 0.000 0.291 167 V C -0.209 176.054 176.094 0.281 0.000 1.020 167 V CA -0.128 62.326 62.300 0.256 0.000 0.848 167 V CB 1.072 33.100 31.823 0.342 0.000 0.990 167 V HN 0.765 nan 8.190 nan 0.000 0.430 168 I N 3.338 124.040 120.570 0.220 0.000 2.488 168 I HA 0.690 4.860 4.170 -0.000 0.000 0.299 168 I C 0.871 177.108 176.117 0.199 0.000 0.984 168 I CA -0.164 61.287 61.300 0.252 0.000 1.250 168 I CB 1.717 39.841 38.000 0.206 0.000 1.389 168 I HN 0.696 nan 8.210 nan 0.000 0.488 169 G N 5.709 114.625 108.800 0.193 0.000 2.416 169 G HA2 0.773 4.733 3.960 -0.000 0.000 0.329 169 G HA3 0.773 4.733 3.960 -0.000 0.000 0.329 169 G C -1.119 173.867 174.900 0.145 0.000 1.173 169 G CA -0.422 44.772 45.100 0.156 0.000 0.929 169 G HN 0.415 nan 8.290 nan 0.000 0.475 170 L N 0.766 122.072 121.223 0.139 0.000 2.409 170 L HA 0.621 4.961 4.340 -0.000 0.000 0.262 170 L C -0.316 176.644 176.870 0.152 0.000 0.992 170 L CA -0.790 54.133 54.840 0.139 0.000 0.817 170 L CB 2.999 45.134 42.059 0.126 0.000 1.350 170 L HN 0.453 nan 8.230 nan 0.000 0.411 171 T N -0.320 114.328 114.554 0.157 0.000 2.861 171 T HA 0.239 4.589 4.350 -0.000 0.000 0.287 171 T C -0.233 174.515 174.700 0.079 0.000 1.003 171 T CA -0.435 61.760 62.100 0.159 0.000 0.977 171 T CB 1.890 70.906 68.868 0.248 0.000 0.996 171 T HN 0.599 nan 8.240 nan 0.000 0.448 172 T N 2.027 116.536 114.554 -0.074 0.000 2.933 172 T HA -0.009 4.341 4.350 -0.000 0.000 0.306 172 T C 1.035 175.620 174.700 -0.190 0.000 1.045 172 T CA -0.169 61.830 62.100 -0.169 0.000 1.143 172 T CB 0.054 68.684 68.868 -0.397 0.000 1.003 172 T HN 0.680 nan 8.240 nan 0.000 0.540 173 D N 2.718 123.045 120.400 -0.121 0.000 2.336 173 D HA 0.010 4.650 4.640 -0.000 0.000 0.229 173 D C 0.816 176.962 176.300 -0.257 0.000 1.061 173 D CA 0.024 53.936 54.000 -0.147 0.000 0.875 173 D CB 0.013 40.808 40.800 -0.008 0.000 0.904 173 D HN 0.498 nan 8.370 nan 0.000 0.525 174 D N 0.280 120.521 120.400 -0.266 0.000 2.363 174 D HA -0.039 4.601 4.640 -0.000 0.000 0.226 174 D C 1.408 177.462 176.300 -0.410 0.000 1.020 174 D CA 0.444 54.292 54.000 -0.254 0.000 0.892 174 D CB 0.111 40.826 40.800 -0.141 0.000 0.900 174 D HN 0.161 nan 8.370 nan 0.000 0.531 175 T N 0.062 114.189 114.554 -0.712 0.000 2.684 175 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 175 T C 1.854 176.057 174.700 -0.828 0.000 1.036 175 T CA 1.595 63.180 62.100 -0.857 0.000 1.148 175 T CB -0.004 68.002 68.868 -1.437 0.000 0.863 175 T HN 0.230 nan 8.240 nan 0.000 0.436 176 A N 0.410 122.584 122.820 -1.078 0.000 2.132 176 A HA 0.199 4.519 4.320 -0.000 0.000 0.213 176 A C 2.110 179.525 177.584 -0.280 0.000 1.154 176 A CA 0.603 52.104 52.037 -0.894 0.000 0.753 176 A CB -0.147 18.376 19.000 -0.794 0.000 0.826 176 A HN 0.365 nan 8.150 nan 0.000 0.469 177 K N -0.878 119.390 120.400 -0.218 0.000 2.228 177 K HA 0.088 4.408 4.320 -0.000 0.000 0.202 177 K C 0.442 177.060 176.600 0.029 0.000 1.051 177 K CA 0.843 57.096 56.287 -0.057 0.000 0.960 177 K CB 0.043 32.515 32.500 -0.048 0.000 0.743 177 K HN 0.383 nan 8.250 nan 0.000 0.458 178 I N -0.676 119.893 120.570 -0.002 0.000 4.082 178 I HA 0.125 4.295 4.170 -0.000 0.000 0.337 178 I C 0.780 177.004 176.117 0.179 0.000 1.352 178 I CA -0.087 61.279 61.300 0.110 0.000 1.097 178 I CB 0.968 38.974 38.000 0.010 0.000 1.048 178 I HN -0.036 nan 8.210 nan 0.000 0.393 179 G N -0.372 108.564 108.800 0.227 0.000 2.887 179 G HA2 0.192 4.152 3.960 -0.000 0.000 0.277 179 G HA3 0.192 4.152 3.960 -0.000 0.000 0.277 179 G C -0.437 174.662 174.900 0.332 0.000 1.346 179 G CA -0.547 44.790 45.100 0.394 0.000 1.058 179 G HN 0.019 nan 8.290 nan 0.000 0.535 180 N N 0.870 119.645 118.700 0.126 0.000 2.429 180 N HA 0.125 4.865 4.740 -0.000 0.000 0.271 180 N C -1.359 174.056 175.510 -0.158 0.000 1.272 180 N CA -1.574 51.367 53.050 -0.182 0.000 0.921 180 N CB 1.474 39.574 38.487 -0.644 0.000 1.128 180 N HN -0.060 nan 8.380 nan 0.000 0.481 181 P HA -0.114 nan 4.420 nan 0.000 0.221 181 P C 0.765 178.073 177.300 0.012 0.000 1.145 181 P CA 1.036 64.203 63.100 0.112 0.000 0.795 181 P CB 0.374 32.122 31.700 0.081 0.000 0.775 182 E N -1.726 118.412 120.200 -0.104 0.000 2.274 182 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 182 E C 1.214 177.848 176.600 0.057 0.000 0.996 182 E CA 0.691 57.071 56.400 -0.034 0.000 0.840 182 E CB -0.163 29.501 29.700 -0.060 0.000 0.772 182 E HN 0.320 nan 8.360 nan 0.000 0.491 183 Y N -1.273 118.847 120.300 -0.300 0.000 2.561 183 Y HA -0.053 4.497 4.550 -0.000 0.000 0.291 183 Y C 1.043 176.726 175.900 -0.363 0.000 1.141 183 Y CA 0.355 58.199 58.100 -0.425 0.000 1.303 183 Y CB -0.026 38.029 38.460 -0.674 0.000 1.015 183 Y HN 0.017 nan 8.280 nan 0.000 0.547 184 F N -1.806 118.283 119.950 0.232 0.000 2.698 184 F HA 0.211 4.738 4.527 -0.000 0.000 0.304 184 F C 1.808 177.673 175.800 0.108 0.000 1.108 184 F CA -0.489 57.611 58.000 0.168 0.000 1.263 184 F CB -0.687 38.420 39.000 0.179 0.000 1.013 184 F HN -0.232 nan 8.300 nan 0.000 0.532 185 T N -0.493 114.188 114.554 0.211 0.000 2.721 185 T HA -0.245 4.105 4.350 -0.000 0.000 0.268 185 T C 1.214 175.981 174.700 0.112 0.000 1.038 185 T CA 2.135 64.314 62.100 0.132 0.000 1.145 185 T CB -0.133 68.789 68.868 0.089 0.000 0.858 185 T HN 0.098 nan 8.240 nan 0.000 0.459 186 D N -0.128 120.340 120.400 0.114 0.000 2.650 186 D HA 0.317 4.957 4.640 -0.000 0.000 0.265 186 D C -0.748 175.594 176.300 0.070 0.000 1.339 186 D CA -0.205 53.839 54.000 0.073 0.000 0.816 186 D CB 0.093 40.917 40.800 0.041 0.000 1.091 186 D HN 0.316 nan 8.370 nan 0.000 0.483 187 I N 1.007 121.644 120.570 0.112 0.000 2.534 187 I HA 0.302 4.472 4.170 -0.000 0.000 0.288 187 I C -0.486 175.614 176.117 -0.029 0.000 1.077 187 I CA -0.815 60.504 61.300 0.033 0.000 1.051 187 I CB 2.549 40.619 38.000 0.117 0.000 1.234 187 I HN -0.169 nan 8.210 nan 0.000 0.425 188 E N 6.071 126.184 120.200 -0.145 0.000 2.187 188 E HA 0.495 4.845 4.350 -0.000 0.000 0.268 188 E C -1.700 174.740 176.600 -0.267 0.000 0.896 188 E CA -0.628 55.718 56.400 -0.090 0.000 0.766 188 E CB 1.388 31.082 29.700 -0.010 0.000 1.142 188 E HN 0.353 nan 8.360 nan 0.000 0.408 189 F N 3.825 123.733 119.950 -0.071 0.000 2.334 189 F HA 0.412 4.939 4.527 -0.000 0.000 0.367 189 F C 0.769 176.557 175.800 -0.020 0.000 1.115 189 F CA -0.661 57.303 58.000 -0.061 0.000 1.116 189 F CB 0.950 39.847 39.000 -0.172 0.000 1.230 189 F HN 0.246 nan 8.300 nan 0.000 0.484 190 R N 1.936 122.520 120.500 0.141 0.000 2.546 190 R HA 0.361 4.701 4.340 -0.000 0.000 0.266 190 R C -0.094 176.260 176.300 0.090 0.000 1.086 190 R CA -1.090 55.060 56.100 0.082 0.000 1.160 190 R CB 0.927 31.259 30.300 0.053 0.000 1.138 190 R HN 0.497 nan 8.270 nan 0.000 0.567 191 K N 2.640 123.070 120.400 0.049 0.000 2.416 191 K HA 0.024 4.344 4.320 -0.000 0.000 0.283 191 K C -1.571 175.066 176.600 0.061 0.000 1.037 191 K CA -1.059 55.253 56.287 0.041 0.000 0.995 191 K CB 0.535 33.045 32.500 0.016 0.000 0.938 191 K HN 0.354 nan 8.250 nan 0.000 0.475 192 P HA -0.195 nan 4.420 nan 0.000 0.216 192 P C 1.012 178.354 177.300 0.071 0.000 1.153 192 P CA 1.147 64.297 63.100 0.082 0.000 0.844 192 P CB 0.156 31.905 31.700 0.082 0.000 0.787 193 A N 0.590 123.440 122.820 0.050 0.000 1.940 193 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 193 A C 1.999 179.611 177.584 0.046 0.000 1.176 193 A CA 2.146 54.209 52.037 0.044 0.000 0.631 193 A CB -1.323 17.694 19.000 0.028 0.000 0.814 193 A HN 0.087 nan 8.150 nan 0.000 0.446 194 D N -0.971 119.455 120.400 0.043 0.000 2.149 194 D HA -0.072 4.568 4.640 -0.000 0.000 0.201 194 D C 1.907 178.243 176.300 0.060 0.000 0.972 194 D CA 1.423 55.447 54.000 0.040 0.000 0.835 194 D CB -0.233 40.583 40.800 0.026 0.000 0.966 194 D HN 0.558 nan 8.370 nan 0.000 0.476 195 E N 0.746 120.994 120.200 0.081 0.000 2.106 195 E HA -0.027 4.323 4.350 -0.000 0.000 0.192 195 E C 1.905 178.575 176.600 0.116 0.000 0.984 195 E CA 1.021 57.492 56.400 0.117 0.000 0.806 195 E CB -0.162 29.631 29.700 0.156 0.000 0.750 195 E HN 0.151 nan 8.360 nan 0.000 0.458 196 A N 0.753 123.633 122.820 0.099 0.000 1.933 196 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 196 A C 1.967 179.596 177.584 0.074 0.000 1.175 196 A CA 1.660 53.752 52.037 0.093 0.000 0.628 196 A CB -0.372 18.675 19.000 0.077 0.000 0.814 196 A HN 0.161 nan 8.150 nan 0.000 0.444 197 K N -0.457 119.979 120.400 0.061 0.000 2.097 197 K HA -0.037 4.283 4.320 -0.000 0.000 0.206 197 K C 1.791 178.422 176.600 0.052 0.000 1.049 197 K CA 1.320 57.634 56.287 0.045 0.000 0.933 197 K CB -0.342 32.179 32.500 0.036 0.000 0.717 197 K HN 0.479 nan 8.250 nan 0.000 0.442 198 L N 0.280 121.545 121.223 0.071 0.000 2.044 198 L HA -0.152 4.188 4.340 -0.000 0.000 0.205 198 L C 2.316 179.250 176.870 0.107 0.000 1.075 198 L CA 0.766 55.657 54.840 0.084 0.000 0.747 198 L CB -0.447 41.672 42.059 0.099 0.000 0.903 198 L HN -0.053 nan 8.230 nan 0.000 0.435 199 V N 0.131 120.131 119.914 0.142 0.000 2.407 199 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 199 V C 2.327 178.452 176.094 0.051 0.000 1.055 199 V CA 1.763 64.171 62.300 0.181 0.000 1.049 199 V CB -0.334 31.645 31.823 0.261 0.000 0.662 199 V HN 0.304 nan 8.190 nan 0.000 0.455 200 I N -0.428 120.160 120.570 0.030 0.000 2.179 200 I HA -0.312 3.858 4.170 -0.000 0.000 0.242 200 I C 2.708 178.805 176.117 -0.035 0.000 1.088 200 I CA 1.667 62.954 61.300 -0.022 0.000 1.357 200 I CB -0.321 37.680 38.000 0.000 0.000 1.051 200 I HN 0.352 nan 8.210 nan 0.000 0.409 201 Q N 0.443 120.243 119.800 -0.001 0.000 2.050 201 Q HA -0.247 4.093 4.340 -0.000 0.000 0.202 201 Q C 2.105 178.100 176.000 -0.008 0.000 0.980 201 Q CA 1.810 57.612 55.803 -0.001 0.000 0.840 201 Q CB -0.162 28.587 28.738 0.019 0.000 0.898 201 Q HN 0.570 nan 8.270 nan 0.000 0.424 202 E N 0.767 120.977 120.200 0.017 0.000 2.058 202 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 202 E C 2.080 178.623 176.600 -0.095 0.000 0.997 202 E CA 1.072 57.484 56.400 0.021 0.000 0.801 202 E CB -0.300 29.485 29.700 0.141 0.000 0.746 202 E HN 0.304 nan 8.360 nan 0.000 0.450 203 L N 0.862 121.939 121.223 -0.243 0.000 2.046 203 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 203 L C 2.570 179.316 176.870 -0.207 0.000 1.077 203 L CA 1.424 56.026 54.840 -0.398 0.000 0.747 203 L CB -0.302 41.451 42.059 -0.510 0.000 0.896 203 L HN 0.146 nan 8.230 nan 0.000 0.432 204 Q N -0.881 118.844 119.800 -0.126 0.000 2.369 204 Q HA -0.180 4.160 4.340 -0.000 0.000 0.206 204 Q C 1.955 177.924 176.000 -0.052 0.000 0.963 204 Q CA 0.873 56.630 55.803 -0.077 0.000 0.894 204 Q CB 0.113 28.824 28.738 -0.045 0.000 0.965 204 Q HN 0.574 nan 8.270 nan 0.000 0.475 205 Q N -1.051 118.721 119.800 -0.046 0.000 2.396 205 Q HA -0.012 4.328 4.340 -0.000 0.000 0.209 205 Q C 1.525 177.514 176.000 -0.019 0.000 0.906 205 Q CA 1.305 57.095 55.803 -0.021 0.000 0.927 205 Q CB 0.786 29.521 28.738 -0.005 0.000 1.069 205 Q HN 0.416 nan 8.270 nan 0.000 0.523 206 T N -2.137 112.395 114.554 -0.035 0.000 3.499 206 T HA 0.110 4.460 4.350 -0.000 0.000 0.227 206 T C 1.531 176.209 174.700 -0.037 0.000 0.946 206 T CA -0.188 61.902 62.100 -0.017 0.000 1.368 206 T CB -0.287 68.591 68.868 0.016 0.000 1.227 206 T HN -0.142 nan 8.240 nan 0.000 0.398 207 E N 1.302 121.455 120.200 -0.080 0.000 2.208 207 E HA 0.007 4.357 4.350 -0.000 0.000 0.193 207 E C 0.564 177.113 176.600 -0.086 0.000 0.988 207 E CA 0.579 56.928 56.400 -0.084 0.000 0.828 207 E CB -0.227 29.377 29.700 -0.160 0.000 0.763 207 E HN 0.624 nan 8.360 nan 0.000 0.478 208 K N 0.729 121.070 120.400 -0.099 0.000 3.244 208 K HA -0.114 4.206 4.320 -0.000 0.000 0.270 208 K C -2.524 174.038 176.600 -0.063 0.000 1.016 208 K CA 0.272 56.518 56.287 -0.069 0.000 0.754 208 K CB -0.668 31.809 32.500 -0.039 0.000 1.326 208 K HN 0.115 nan 8.250 nan 0.000 0.465 209 P HA -0.002 nan 4.420 nan 0.000 0.269 209 P C -0.016 177.255 177.300 -0.049 0.000 1.209 209 P CA 0.032 63.078 63.100 -0.091 0.000 0.776 209 P CB 0.692 32.315 31.700 -0.128 0.000 0.876 210 D N 1.023 121.385 120.400 -0.063 0.000 2.178 210 D HA 0.003 4.643 4.640 -0.000 0.000 0.202 210 D C 0.813 177.077 176.300 -0.059 0.000 0.974 210 D CA 1.498 55.469 54.000 -0.050 0.000 0.841 210 D CB 0.230 40.845 40.800 -0.308 0.000 0.953 210 D HN 0.398 nan 8.370 nan 0.000 0.478 211 I N 0.594 121.084 120.570 -0.134 0.000 2.619 211 I HA 0.307 4.477 4.170 -0.000 0.000 0.292 211 I C -0.732 175.334 176.117 -0.085 0.000 1.100 211 I CA -0.605 60.630 61.300 -0.109 0.000 1.043 211 I CB 2.970 40.849 38.000 -0.202 0.000 1.239 211 I HN -0.316 nan 8.210 nan 0.000 0.420 212 I N 6.388 126.922 120.570 -0.060 0.000 2.498 212 I HA 0.533 4.703 4.170 -0.000 0.000 0.290 212 I C -0.774 175.326 176.117 -0.029 0.000 1.032 212 I CA -0.557 60.717 61.300 -0.044 0.000 1.073 212 I CB 2.147 40.120 38.000 -0.044 0.000 1.251 212 I HN 0.347 nan 8.210 nan 0.000 0.426 213 I N 4.459 125.027 120.570 -0.004 0.000 2.569 213 I HA 0.601 4.771 4.170 -0.000 0.000 0.296 213 I C -0.073 176.076 176.117 0.053 0.000 1.028 213 I CA -0.694 60.612 61.300 0.010 0.000 1.082 213 I CB 2.256 40.249 38.000 -0.011 0.000 1.264 213 I HN 0.600 nan 8.210 nan 0.000 0.429 214 A N 4.400 127.253 122.820 0.056 0.000 2.260 214 A HA 0.821 5.141 4.320 -0.000 0.000 0.314 214 A C -0.215 177.414 177.584 0.074 0.000 1.257 214 A CA -0.510 51.575 52.037 0.079 0.000 0.871 214 A CB 0.832 19.879 19.000 0.078 0.000 1.166 214 A HN 0.769 nan 8.150 nan 0.000 0.522 215 A N 2.985 125.862 122.820 0.095 0.000 2.276 215 A HA 0.692 5.012 4.320 -0.000 0.000 0.300 215 A C 0.515 178.159 177.584 0.099 0.000 1.235 215 A CA 0.263 52.352 52.037 0.088 0.000 0.867 215 A CB -0.090 18.973 19.000 0.106 0.000 1.137 215 A HN 1.496 nan 8.150 nan 0.000 0.527 216 T N -0.543 114.066 114.554 0.091 0.000 2.901 216 T HA 0.575 4.925 4.350 -0.000 0.000 0.293 216 T C -0.690 174.105 174.700 0.159 0.000 1.084 216 T CA -0.481 61.693 62.100 0.124 0.000 1.008 216 T CB 1.370 70.307 68.868 0.115 0.000 1.170 216 T HN 0.666 nan 8.240 nan 0.000 0.509 217 H N 1.075 120.193 119.070 0.080 0.000 2.448 217 H HA 0.527 5.083 4.556 -0.000 0.000 0.237 217 H C 0.023 175.368 175.328 0.029 0.000 1.391 217 H CA -0.667 55.431 56.048 0.083 0.000 1.477 217 H CB 0.237 30.047 29.762 0.081 0.000 1.520 217 H HN 0.607 nan 8.280 nan 0.000 0.502 218 M N 1.048 120.780 119.600 0.220 0.000 2.060 218 M HA 0.260 4.740 4.480 -0.000 0.000 0.273 218 M C 0.509 176.939 176.300 0.217 0.000 1.139 218 M CA 0.642 56.019 55.300 0.129 0.000 1.091 218 M CB 1.854 34.518 32.600 0.106 0.000 1.860 218 M HN 0.558 nan 8.290 nan 0.000 0.638 219 G N 1.080 109.964 108.800 0.140 0.000 2.788 219 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.686 219 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.686 219 G C -1.284 173.385 174.900 -0.385 0.000 1.147 219 G CA -0.844 44.177 45.100 -0.132 0.000 0.755 219 G HN 0.478 nan 8.290 nan 0.000 0.634 220 H N 1.598 120.386 119.070 -0.470 0.000 2.640 220 H HA 0.539 5.095 4.556 -0.000 0.000 0.297 220 H C -0.727 174.286 175.328 -0.525 0.000 1.073 220 H CA -0.117 55.700 56.048 -0.384 0.000 1.305 220 H CB 0.453 30.100 29.762 -0.191 0.000 1.404 220 H HN 0.409 nan 8.280 nan 0.000 0.459 221 Y N 2.842 122.966 120.300 -0.293 0.000 2.331 221 Y HA 0.098 4.648 4.550 -0.000 0.000 0.338 221 Y C 0.425 176.139 175.900 -0.311 0.000 0.992 221 Y CA -1.205 56.790 58.100 -0.175 0.000 1.121 221 Y CB 0.695 39.129 38.460 -0.044 0.000 1.184 221 Y HN 0.562 nan 8.280 nan 0.000 0.469 222 D N 2.978 123.389 120.400 0.019 0.000 2.662 222 D HA -0.139 4.501 4.640 -0.000 0.000 0.233 222 D C 0.913 177.207 176.300 -0.010 0.000 1.129 222 D CA 1.284 55.304 54.000 0.033 0.000 0.851 222 D CB 0.037 40.878 40.800 0.069 0.000 1.152 222 D HN 0.717 nan 8.370 nan 0.000 0.507 223 N N 1.845 120.527 118.700 -0.030 0.000 2.708 223 N HA -0.247 4.493 4.740 -0.000 0.000 0.251 223 N C 0.803 176.299 175.510 -0.023 0.000 1.123 223 N CA 2.049 55.085 53.050 -0.023 0.000 0.739 223 N CB -1.022 37.457 38.487 -0.014 0.000 1.113 223 N HN 0.767 nan 8.380 nan 0.000 0.561 224 G N -0.942 107.846 108.800 -0.019 0.000 2.153 224 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.252 224 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.252 224 G C -0.272 174.639 174.900 0.018 0.000 0.994 224 G CA 0.430 45.568 45.100 0.062 0.000 0.698 224 G HN 0.658 nan 8.290 nan 0.000 0.521 225 E N 0.422 120.600 120.200 -0.037 0.000 1.892 225 E HA 0.322 4.672 4.350 -0.000 0.000 0.271 225 E C 1.232 177.663 176.600 -0.282 0.000 1.146 225 E CA -0.023 56.260 56.400 -0.195 0.000 1.096 225 E CB -0.147 29.485 29.700 -0.113 0.000 1.155 225 E HN 0.851 nan 8.360 nan 0.000 0.458 226 H N 0.940 119.842 119.070 -0.279 0.000 2.555 226 H HA 0.200 4.756 4.556 -0.000 0.000 0.269 226 H C 1.303 176.347 175.328 -0.473 0.000 0.988 226 H CA 0.188 55.802 56.048 -0.722 0.000 1.178 226 H CB 0.146 29.572 29.762 -0.560 0.000 1.373 226 H HN 0.496 nan 8.280 nan 0.000 0.588 227 G N 0.207 108.746 108.800 -0.436 0.000 2.591 227 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.298 227 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.298 227 G C 1.183 176.055 174.900 -0.045 0.000 1.195 227 G CA 0.486 45.461 45.100 -0.210 0.000 0.989 227 G HN 0.549 nan 8.290 nan 0.000 0.551 228 c N 2.815 121.408 118.600 -0.012 0.000 2.626 228 c HA 0.303 4.873 4.570 -0.000 0.000 0.266 228 c C 1.111 175.219 174.090 0.029 0.000 1.317 228 c CA -0.447 55.902 56.329 0.033 0.000 1.716 228 c CB -1.845 40.682 42.510 0.029 0.000 1.819 228 c HN 0.502 nan 8.230 nan 0.000 0.578 229 N N 1.782 120.478 118.700 -0.007 0.000 2.482 229 N HA 0.331 5.071 4.740 -0.000 0.000 0.260 229 N C 0.177 175.656 175.510 -0.052 0.000 1.236 229 N CA 0.224 53.259 53.050 -0.025 0.000 0.938 229 N CB 0.613 39.042 38.487 -0.096 0.000 1.128 229 N HN 0.342 nan 8.380 nan 0.000 0.448 230 A N 2.117 124.904 122.820 -0.054 0.000 2.561 230 A HA 0.170 4.490 4.320 -0.000 0.000 0.234 230 A C -1.949 175.507 177.584 -0.214 0.000 1.055 230 A CA -0.641 51.318 52.037 -0.129 0.000 0.756 230 A CB -0.661 18.298 19.000 -0.069 0.000 0.986 230 A HN 0.422 nan 8.150 nan 0.000 0.505 231 P HA 0.167 nan 4.420 nan 0.000 0.264 231 P C 0.619 177.921 177.300 0.003 0.000 1.183 231 P CA 0.874 63.735 63.100 -0.399 0.000 0.763 231 P CB 0.603 32.089 31.700 -0.356 0.000 0.807 232 G N 1.761 110.671 108.800 0.184 0.000 2.857 232 G HA2 0.139 4.099 3.960 -0.000 0.000 0.217 232 G HA3 0.139 4.099 3.960 -0.000 0.000 0.217 232 G C 0.433 175.390 174.900 0.095 0.000 1.357 232 G CA -0.351 44.862 45.100 0.188 0.000 1.033 232 G HN 0.289 nan 8.290 nan 0.000 0.571 233 D N -0.740 119.693 120.400 0.054 0.000 2.097 233 D HA -0.132 4.508 4.640 -0.000 0.000 0.195 233 D C 2.759 179.080 176.300 0.035 0.000 0.989 233 D CA 0.972 55.002 54.000 0.050 0.000 0.827 233 D CB -0.371 40.467 40.800 0.063 0.000 0.966 233 D HN 0.049 nan 8.370 nan 0.000 0.456 234 V N 1.387 121.297 119.914 -0.007 0.000 2.255 234 V HA -0.271 3.849 4.120 -0.000 0.000 0.247 234 V C 2.255 178.361 176.094 0.020 0.000 1.051 234 V CA 1.981 64.270 62.300 -0.019 0.000 1.018 234 V CB -0.582 31.174 31.823 -0.111 0.000 0.641 234 V HN 0.126 nan 8.190 nan 0.000 0.445 235 E N -0.286 119.947 120.200 0.055 0.000 2.110 235 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 235 E C 2.026 178.650 176.600 0.040 0.000 0.988 235 E CA 1.584 58.022 56.400 0.063 0.000 0.804 235 E CB -0.401 29.358 29.700 0.098 0.000 0.745 235 E HN 0.639 nan 8.360 nan 0.000 0.458 236 M N 0.329 119.952 119.600 0.039 0.000 2.123 236 M HA -0.064 4.416 4.480 -0.000 0.000 0.263 236 M C 2.174 178.490 176.300 0.026 0.000 1.069 236 M CA 1.758 57.078 55.300 0.033 0.000 1.133 236 M CB -0.015 32.610 32.600 0.042 0.000 1.356 236 M HN 0.182 nan 8.290 nan 0.000 0.415 237 A N 0.882 123.715 122.820 0.022 0.000 1.902 237 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 237 A C 2.071 179.654 177.584 -0.002 0.000 1.181 237 A CA 1.884 53.927 52.037 0.010 0.000 0.623 237 A CB -0.735 18.267 19.000 0.003 0.000 0.818 237 A HN 0.615 nan 8.150 nan 0.000 0.443 238 R N -0.538 119.962 120.500 -0.001 0.000 2.159 238 R HA -0.072 4.268 4.340 -0.000 0.000 0.237 238 R C 2.176 178.477 176.300 0.002 0.000 1.131 238 R CA 1.136 57.233 56.100 -0.004 0.000 0.982 238 R CB -0.368 29.932 30.300 0.001 0.000 0.868 238 R HN 0.520 nan 8.270 nan 0.000 0.453 239 A N 0.561 123.387 122.820 0.010 0.000 2.072 239 A HA 0.117 4.437 4.320 -0.000 0.000 0.216 239 A C 0.977 178.567 177.584 0.010 0.000 1.156 239 A CA 0.258 52.302 52.037 0.012 0.000 0.701 239 A CB 0.048 19.058 19.000 0.017 0.000 0.816 239 A HN 0.067 nan 8.150 nan 0.000 0.458 240 L N -0.008 121.221 121.223 0.010 0.000 2.454 240 L HA 0.302 4.642 4.340 -0.000 0.000 0.256 240 L C -2.256 174.615 176.870 0.002 0.000 1.136 240 L CA -2.272 52.574 54.840 0.010 0.000 0.804 240 L CB 0.337 42.403 42.059 0.013 0.000 1.181 240 L HN -0.008 nan 8.230 nan 0.000 0.469 241 P HA 0.060 nan 4.420 nan 0.000 0.268 241 P C -0.894 176.401 177.300 -0.008 0.000 1.205 241 P CA -0.297 62.802 63.100 -0.002 0.000 0.771 241 P CB 0.568 32.268 31.700 0.000 0.000 0.858 242 A N 2.933 125.745 122.820 -0.014 0.000 2.540 242 A HA 0.400 4.720 4.320 -0.000 0.000 0.239 242 A C 1.594 179.165 177.584 -0.021 0.000 1.061 242 A CA 0.625 52.648 52.037 -0.024 0.000 0.758 242 A CB -1.347 17.634 19.000 -0.030 0.000 0.991 242 A HN 0.883 nan 8.150 nan 0.000 0.502 243 G N 1.597 110.380 108.800 -0.028 0.000 2.180 243 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.263 243 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.263 243 G C 1.218 176.118 174.900 0.000 0.000 0.989 243 G CA 1.543 46.634 45.100 -0.016 0.000 0.692 243 G HN 2.033 nan 8.290 nan 0.000 0.526 244 S N -1.187 114.512 115.700 -0.001 0.000 2.442 244 S HA 0.250 4.720 4.470 -0.000 0.000 0.236 244 S C 1.031 175.633 174.600 0.004 0.000 1.007 244 S CA 0.998 59.200 58.200 0.002 0.000 0.965 244 S CB 0.139 63.340 63.200 0.002 0.000 0.773 244 S HN 0.590 nan 8.310 nan 0.000 0.504 245 L N 0.469 121.698 121.223 0.010 0.000 2.334 245 L HA 0.633 4.973 4.340 -0.000 0.000 0.276 245 L C 1.303 178.188 176.870 0.025 0.000 1.014 245 L CA -0.418 54.430 54.840 0.014 0.000 0.815 245 L CB 1.548 43.622 42.059 0.025 0.000 1.268 245 L HN 0.113 nan 8.230 nan 0.000 0.428 246 A N 4.278 127.101 122.820 0.004 0.000 1.933 246 A HA 0.021 4.341 4.320 -0.000 0.000 0.218 246 A C 0.679 178.350 177.584 0.146 0.000 1.175 246 A CA 1.522 53.569 52.037 0.017 0.000 0.628 246 A CB -0.114 18.772 19.000 -0.190 0.000 0.814 246 A HN 0.776 nan 8.150 nan 0.000 0.444 247 M N -3.236 116.421 119.600 0.095 0.000 2.694 247 M HA 0.607 5.087 4.480 -0.000 0.000 0.276 247 M C -2.148 174.200 176.300 0.080 0.000 1.167 247 M CA -0.599 54.797 55.300 0.159 0.000 0.849 247 M CB 1.246 33.988 32.600 0.236 0.000 1.705 247 M HN -0.111 nan 8.290 nan 0.000 0.504 248 I N 2.414 123.030 120.570 0.075 0.000 2.355 248 I HA 0.476 4.646 4.170 -0.000 0.000 0.288 248 I C -0.790 175.319 176.117 -0.014 0.000 0.999 248 I CA -1.104 60.220 61.300 0.040 0.000 1.163 248 I CB 2.021 40.051 38.000 0.051 0.000 1.316 248 I HN 0.477 nan 8.210 nan 0.000 0.454 249 V N 6.447 126.341 119.914 -0.033 0.000 2.348 249 V HA 0.478 4.598 4.120 -0.000 0.000 0.270 249 V C 0.802 176.882 176.094 -0.023 0.000 1.037 249 V CA -0.188 62.047 62.300 -0.109 0.000 0.872 249 V CB 0.733 32.512 31.823 -0.073 0.000 1.002 249 V HN 0.908 nan 8.190 nan 0.000 0.464 250 G N 2.931 111.720 108.800 -0.018 0.000 2.753 250 G HA2 0.889 4.849 3.960 -0.000 0.000 0.285 250 G HA3 0.889 4.849 3.960 -0.000 0.000 0.285 250 G C -0.025 174.914 174.900 0.066 0.000 1.344 250 G CA -0.095 45.031 45.100 0.044 0.000 1.050 250 G HN 1.074 nan 8.290 nan 0.000 0.532 251 G N -3.205 105.667 108.800 0.119 0.000 2.510 251 G HA2 0.480 4.440 3.960 -0.000 0.000 0.277 251 G HA3 0.480 4.440 3.960 -0.000 0.000 0.277 251 G C 0.125 175.249 174.900 0.373 0.000 1.223 251 G CA 1.071 46.267 45.100 0.159 0.000 0.887 251 G HN 1.659 nan 8.290 nan 0.000 0.485 252 H N -1.061 118.275 119.070 0.443 0.000 5.124 252 H HA -0.343 4.213 4.556 -0.000 0.000 0.068 252 H C 2.249 177.687 175.328 0.184 0.000 0.548 252 H CA 4.057 60.322 56.048 0.361 0.000 1.054 252 H CB -1.363 28.501 29.762 0.170 0.000 0.498 252 H HN 1.094 nan 8.280 nan 0.000 0.739 253 S N 0.524 116.205 115.700 -0.031 0.000 2.453 253 S HA -0.032 4.438 4.470 -0.000 0.000 0.231 253 S C 0.885 175.478 174.600 -0.011 0.000 1.005 253 S CA 0.970 59.105 58.200 -0.109 0.000 0.949 253 S CB 0.025 63.115 63.200 -0.182 0.000 0.774 253 S HN 0.734 nan 8.310 nan 0.000 0.510 254 Q N 1.356 121.190 119.800 0.056 0.000 2.447 254 Q HA -0.101 4.239 4.340 -0.000 0.000 0.316 254 Q C -1.558 174.561 176.000 0.197 0.000 1.448 254 Q CA 0.658 56.532 55.803 0.117 0.000 0.804 254 Q CB -1.676 27.099 28.738 0.063 0.000 1.107 254 Q HN 0.669 nan 8.270 nan 0.000 0.373 255 D N 0.716 121.161 120.400 0.075 0.000 2.671 255 D HA 0.374 5.014 4.640 -0.000 0.000 0.232 255 D C -2.612 173.580 176.300 -0.180 0.000 1.114 255 D CA -1.592 52.329 54.000 -0.133 0.000 0.858 255 D CB 2.016 42.735 40.800 -0.135 0.000 1.544 255 D HN -0.109 nan 8.370 nan 0.000 0.471 256 P HA 0.091 nan 4.420 nan 0.000 0.281 256 P C -0.049 176.996 177.300 -0.424 0.000 1.286 256 P CA -0.396 62.448 63.100 -0.427 0.000 0.772 256 P CB 0.720 32.049 31.700 -0.618 0.000 0.862 257 V N 5.198 124.889 119.914 -0.371 0.000 2.326 257 V HA 0.093 4.213 4.120 -0.000 0.000 0.249 257 V C 0.200 176.044 176.094 -0.416 0.000 1.114 257 V CA 0.257 62.297 62.300 -0.434 0.000 1.028 257 V CB -0.533 30.994 31.823 -0.492 0.000 1.170 257 V HN 0.640 nan 8.190 nan 0.000 0.494 258 c N 6.809 125.159 118.600 -0.416 0.000 2.442 258 c HA 0.558 5.128 4.570 -0.000 0.000 0.335 258 c C 0.043 174.014 174.090 -0.198 0.000 1.134 258 c CA -1.130 54.985 56.329 -0.356 0.000 1.344 258 c CB 0.928 43.053 42.510 -0.641 0.000 1.956 258 c HN 0.638 nan 8.230 nan 0.000 0.438 259 M N 2.342 121.868 119.600 -0.124 0.000 2.180 259 M HA 0.298 4.778 4.480 -0.000 0.000 0.358 259 M C 1.136 177.422 176.300 -0.022 0.000 1.233 259 M CA -0.585 54.676 55.300 -0.065 0.000 1.114 259 M CB 0.630 33.207 32.600 -0.037 0.000 1.594 259 M HN 0.825 nan 8.290 nan 0.000 0.467 260 A N 2.847 125.661 122.820 -0.009 0.000 1.898 260 A HA 0.489 4.809 4.320 -0.000 0.000 0.214 260 A C 0.926 178.513 177.584 0.006 0.000 1.183 260 A CA 1.487 53.528 52.037 0.007 0.000 0.622 260 A CB 0.049 19.054 19.000 0.008 0.000 0.824 260 A HN 0.881 nan 8.150 nan 0.000 0.444 261 A N -1.460 121.362 122.820 0.005 0.000 2.536 261 A HA 0.555 4.875 4.320 -0.000 0.000 0.293 261 A C -1.533 176.054 177.584 0.005 0.000 1.119 261 A CA -0.766 51.274 52.037 0.005 0.000 0.654 261 A CB 0.238 19.240 19.000 0.004 0.000 1.291 261 A HN 0.040 nan 8.150 nan 0.000 0.439 262 E N 2.350 122.551 120.200 0.002 0.000 2.493 262 E HA 0.069 4.419 4.350 -0.000 0.000 0.255 262 E C -0.286 176.319 176.600 0.008 0.000 0.999 262 E CA 0.571 56.971 56.400 -0.000 0.000 0.934 262 E CB -0.178 29.517 29.700 -0.009 0.000 0.940 262 E HN 0.584 nan 8.360 nan 0.000 0.473 263 N N 2.041 120.754 118.700 0.021 0.000 2.782 263 N HA -0.198 4.542 4.740 -0.000 0.000 0.251 263 N C -0.791 174.746 175.510 0.044 0.000 1.101 263 N CA 1.011 54.081 53.050 0.034 0.000 0.764 263 N CB -0.717 37.777 38.487 0.011 0.000 1.122 263 N HN 0.489 nan 8.380 nan 0.000 0.561 264 K N 0.723 121.150 120.400 0.045 0.000 2.652 264 K HA 0.258 4.578 4.320 -0.000 0.000 0.249 264 K C -0.337 176.280 176.600 0.028 0.000 0.986 264 K CA -0.551 55.761 56.287 0.041 0.000 0.867 264 K CB 2.182 34.694 32.500 0.020 0.000 1.201 264 K HN -0.025 nan 8.250 nan 0.000 0.450 265 K N 2.058 122.478 120.400 0.034 0.000 2.355 265 K HA 0.039 4.359 4.320 -0.000 0.000 0.270 265 K C 0.092 176.683 176.600 -0.016 0.000 1.003 265 K CA 0.091 56.363 56.287 -0.025 0.000 0.957 265 K CB 0.571 33.046 32.500 -0.042 0.000 0.939 265 K HN 0.415 nan 8.250 nan 0.000 0.482 266 Q N 1.337 121.121 119.800 -0.026 0.000 2.283 266 Q HA -0.007 4.333 4.340 -0.000 0.000 0.301 266 Q C -0.312 175.691 176.000 0.006 0.000 1.063 266 Q CA -0.020 55.790 55.803 0.012 0.000 0.952 266 Q CB 0.531 29.312 28.738 0.072 0.000 1.166 266 Q HN 0.242 nan 8.270 nan 0.000 0.381 267 V N 3.770 123.690 119.914 0.011 0.000 2.607 267 V HA 0.003 4.123 4.120 -0.000 0.000 0.289 267 V C 0.004 176.108 176.094 0.016 0.000 1.053 267 V CA -0.155 62.148 62.300 0.005 0.000 0.996 267 V CB 1.395 33.220 31.823 0.003 0.000 0.995 267 V HN 0.891 nan 8.190 nan 0.000 0.476 268 D N 2.324 122.731 120.400 0.013 0.000 2.705 268 D HA -0.239 4.401 4.640 -0.000 0.000 0.240 268 D C -0.312 176.001 176.300 0.022 0.000 1.137 268 D CA 0.652 54.661 54.000 0.015 0.000 0.677 268 D CB -1.020 39.783 40.800 0.006 0.000 1.049 268 D HN 0.608 nan 8.370 nan 0.000 0.427 269 Y N 0.149 120.397 120.300 -0.086 0.000 2.702 269 Y HA 0.180 4.730 4.550 -0.000 0.000 0.336 269 Y C -0.005 175.844 175.900 -0.085 0.000 1.235 269 Y CA 0.014 58.057 58.100 -0.096 0.000 1.492 269 Y CB 0.668 39.040 38.460 -0.146 0.000 1.308 269 Y HN -0.031 nan 8.280 nan 0.000 0.589 270 V N 8.989 128.369 119.914 -0.891 0.000 2.398 270 V HA 0.309 4.429 4.120 -0.000 0.000 0.286 270 V C -2.129 173.340 176.094 -1.043 0.000 1.026 270 V CA -2.194 59.663 62.300 -0.738 0.000 0.868 270 V CB 1.251 32.844 31.823 -0.383 0.000 0.982 270 V HN 0.742 nan 8.190 nan 0.000 0.443 271 P HA 0.206 nan 4.420 nan 0.000 0.266 271 P C 0.976 178.053 177.300 -0.372 0.000 1.195 271 P CA 1.338 64.128 63.100 -0.517 0.000 0.768 271 P CB 0.627 31.869 31.700 -0.763 0.000 0.838 272 G N 1.004 109.740 108.800 -0.106 0.000 2.176 272 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.253 272 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.253 272 G C 0.344 175.221 174.900 -0.039 0.000 0.979 272 G CA 0.368 45.453 45.100 -0.025 0.000 0.641 272 G HN 0.813 nan 8.290 nan 0.000 0.530 273 T N -0.770 113.722 114.554 -0.103 0.000 2.902 273 T HA 0.657 5.007 4.350 -0.000 0.000 0.280 273 T C -2.164 172.587 174.700 0.085 0.000 0.992 273 T CA -1.404 60.665 62.100 -0.052 0.000 1.015 273 T CB 1.892 70.673 68.868 -0.145 0.000 1.044 273 T HN 0.064 nan 8.240 nan 0.000 0.520 274 P HA 0.293 nan 4.420 nan 0.000 0.266 274 P C -0.893 176.507 177.300 0.166 0.000 1.195 274 P CA -0.488 62.668 63.100 0.093 0.000 0.768 274 P CB 0.212 31.942 31.700 0.050 0.000 0.838 275 c N 4.346 123.009 118.600 0.106 0.000 2.383 275 c HA 0.445 5.015 4.570 -0.000 0.000 0.330 275 c C -0.194 173.922 174.090 0.044 0.000 1.168 275 c CA -0.763 55.577 56.329 0.019 0.000 1.374 275 c CB -0.565 41.910 42.510 -0.058 0.000 2.014 275 c HN 0.548 nan 8.230 nan 0.000 0.439 276 K N 7.799 128.187 120.400 -0.021 0.000 2.267 276 K HA 0.517 4.837 4.320 -0.000 0.000 0.282 276 K C -2.189 174.338 176.600 -0.121 0.000 1.078 276 K CA -1.237 55.031 56.287 -0.031 0.000 0.903 276 K CB 0.931 33.439 32.500 0.013 0.000 1.111 276 K HN 0.492 nan 8.250 nan 0.000 0.475 277 P HA 0.029 nan 4.420 nan 0.000 0.273 277 P C -0.721 176.583 177.300 0.006 0.000 1.250 277 P CA -0.331 62.584 63.100 -0.310 0.000 0.793 277 P CB 0.543 31.846 31.700 -0.662 0.000 1.011 278 D N -0.125 120.255 120.400 -0.033 0.000 2.339 278 D HA 0.143 4.783 4.640 -0.000 0.000 0.245 278 D C -0.550 175.779 176.300 0.047 0.000 1.115 278 D CA 0.307 54.322 54.000 0.025 0.000 0.917 278 D CB 0.415 41.246 40.800 0.052 0.000 1.192 278 D HN 0.224 nan 8.370 nan 0.000 0.428 279 Q N 1.855 121.575 119.800 -0.133 0.000 2.263 279 Q HA 0.275 4.615 4.340 -0.000 0.000 0.266 279 Q C -1.573 174.278 176.000 -0.248 0.000 1.002 279 Q CA -0.800 54.766 55.803 -0.394 0.000 0.790 279 Q CB 1.222 29.357 28.738 -1.006 0.000 1.272 279 Q HN 0.320 nan 8.270 nan 0.000 0.435 280 Q N 2.745 122.433 119.800 -0.186 0.000 2.292 280 Q HA 0.244 4.584 4.340 -0.000 0.000 0.270 280 Q C -0.728 175.203 176.000 -0.115 0.000 1.024 280 Q CA -0.532 55.203 55.803 -0.114 0.000 0.768 280 Q CB 1.716 30.424 28.738 -0.049 0.000 1.250 280 Q HN 0.870 nan 8.270 nan 0.000 0.447 281 N N 1.435 120.072 118.700 -0.106 0.000 2.721 281 N HA -0.260 4.480 4.740 -0.000 0.000 0.249 281 N C 0.617 176.062 175.510 -0.109 0.000 1.072 281 N CA 1.940 54.938 53.050 -0.088 0.000 0.710 281 N CB -0.911 37.545 38.487 -0.053 0.000 0.993 281 N HN 1.088 nan 8.380 nan 0.000 0.547 282 G N -1.810 106.884 108.800 -0.176 0.000 2.176 282 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.253 282 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.253 282 G C 0.121 174.885 174.900 -0.228 0.000 0.979 282 G CA 0.369 45.352 45.100 -0.195 0.000 0.641 282 G HN 0.526 nan 8.290 nan 0.000 0.530 283 I N 0.156 120.598 120.570 -0.214 0.000 2.389 283 I HA 0.411 4.581 4.170 -0.000 0.000 0.288 283 I C 0.299 176.332 176.117 -0.140 0.000 0.999 283 I CA -1.158 60.070 61.300 -0.119 0.000 1.129 283 I CB 0.837 38.817 38.000 -0.033 0.000 1.288 283 I HN 0.121 nan 8.210 nan 0.000 0.444 284 W N 7.007 128.325 121.300 0.029 0.000 2.210 284 W HA 0.347 5.007 4.660 -0.000 0.000 0.330 284 W C -0.139 176.357 176.519 -0.038 0.000 1.334 284 W CA -0.031 57.310 57.345 -0.007 0.000 1.227 284 W CB 0.310 29.798 29.460 0.047 0.000 1.178 284 W HN 0.231 nan 8.180 nan 0.000 0.560 285 I N 4.656 125.331 120.570 0.174 0.000 2.466 285 I HA 0.452 4.622 4.170 -0.000 0.000 0.289 285 I C -0.254 175.820 176.117 -0.071 0.000 1.026 285 I CA -1.282 60.054 61.300 0.059 0.000 1.078 285 I CB 1.137 39.196 38.000 0.097 0.000 1.249 285 I HN 0.163 nan 8.210 nan 0.000 0.429 286 V N 2.715 122.539 119.914 -0.150 0.000 3.040 286 V HA 0.758 4.878 4.120 -0.000 0.000 0.312 286 V C -1.003 174.991 176.094 -0.166 0.000 1.115 286 V CA -0.431 61.708 62.300 -0.268 0.000 0.998 286 V CB 1.993 33.557 31.823 -0.432 0.000 1.042 286 V HN 0.926 nan 8.190 nan 0.000 0.433 287 Q N 1.513 121.302 119.800 -0.018 0.000 2.479 287 Q HA 0.720 5.060 4.340 -0.000 0.000 0.276 287 Q C -0.906 175.198 176.000 0.175 0.000 0.989 287 Q CA -0.127 55.739 55.803 0.105 0.000 0.864 287 Q CB 2.263 31.000 28.738 -0.001 0.000 1.444 287 Q HN 1.363 nan 8.270 nan 0.000 0.388 288 A N 2.709 125.642 122.820 0.188 0.000 2.701 288 A HA 0.298 4.618 4.320 -0.000 0.000 0.297 288 A C 0.243 177.940 177.584 0.188 0.000 1.197 288 A CA 0.799 52.879 52.037 0.071 0.000 0.963 288 A CB -0.566 18.413 19.000 -0.034 0.000 1.175 288 A HN 1.092 nan 8.150 nan 0.000 0.531 289 H N 0.169 119.242 119.070 0.004 0.000 1.478 289 H HA -0.251 4.305 4.556 -0.000 0.000 0.090 289 H C 0.106 175.409 175.328 -0.043 0.000 0.622 289 H CA 1.716 57.764 56.048 -0.000 0.000 1.898 289 H CB -0.995 28.837 29.762 0.116 0.000 2.253 289 H HN 0.684 nan 8.280 nan 0.000 0.961 290 E N -0.843 119.259 120.200 -0.162 0.000 2.396 290 E HA 0.193 4.543 4.350 -0.000 0.000 0.280 290 E C -0.966 175.492 176.600 -0.237 0.000 1.065 290 E CA -0.172 56.053 56.400 -0.291 0.000 0.831 290 E CB 1.104 30.380 29.700 -0.707 0.000 1.272 290 E HN 0.547 nan 8.360 nan 0.000 0.443 291 W N 0.525 121.655 121.300 -0.283 0.000 3.105 291 W HA -0.158 4.502 4.660 -0.000 0.000 0.308 291 W C 1.082 177.334 176.519 -0.445 0.000 1.182 291 W CA 1.794 58.838 57.345 -0.502 0.000 0.612 291 W CB -2.188 26.581 29.460 -1.152 0.000 2.238 291 W HN 1.618 nan 8.180 nan 0.000 1.307 292 G N -0.524 108.245 108.800 -0.051 0.000 2.203 292 G HA2 -0.436 3.524 3.960 -0.000 0.000 0.263 292 G HA3 -0.436 3.524 3.960 -0.000 0.000 0.263 292 G C 1.365 176.212 174.900 -0.089 0.000 1.012 292 G CA 0.870 45.924 45.100 -0.076 0.000 0.749 292 G HN 0.432 nan 8.290 nan 0.000 0.512 293 K N -1.577 118.702 120.400 -0.200 0.000 2.152 293 K HA -0.016 4.304 4.320 -0.000 0.000 0.206 293 K C 0.435 176.783 176.600 -0.419 0.000 1.048 293 K CA 1.319 57.438 56.287 -0.280 0.000 0.933 293 K CB -0.001 32.265 32.500 -0.391 0.000 0.721 293 K HN 0.631 nan 8.250 nan 0.000 0.447 294 Y N -1.406 118.882 120.300 -0.020 0.000 2.553 294 Y HA 0.344 4.894 4.550 -0.000 0.000 0.347 294 Y C -0.565 175.267 175.900 -0.113 0.000 1.019 294 Y CA -1.370 56.700 58.100 -0.051 0.000 1.032 294 Y CB 1.634 40.061 38.460 -0.054 0.000 1.284 294 Y HN -0.433 nan 8.280 nan 0.000 0.466 295 V N 2.308 122.235 119.914 0.021 0.000 2.328 295 V HA 0.554 4.674 4.120 -0.000 0.000 0.278 295 V C 0.457 176.409 176.094 -0.236 0.000 1.021 295 V CA -0.763 61.460 62.300 -0.128 0.000 0.838 295 V CB 0.992 32.743 31.823 -0.121 0.000 0.999 295 V HN 0.955 nan 8.190 nan 0.000 0.447 296 G N 4.085 112.573 108.800 -0.521 0.000 2.483 296 G HA2 0.483 4.443 3.960 -0.000 0.000 0.248 296 G HA3 0.483 4.443 3.960 -0.000 0.000 0.248 296 G C -0.208 174.456 174.900 -0.392 0.000 1.248 296 G CA -0.385 44.339 45.100 -0.626 0.000 0.838 296 G HN 0.693 nan 8.290 nan 0.000 0.566 297 R N 1.385 121.600 120.500 -0.474 0.000 2.507 297 R HA 0.531 4.871 4.340 -0.000 0.000 0.298 297 R C -0.815 175.287 176.300 -0.330 0.000 1.087 297 R CA -0.621 55.302 56.100 -0.295 0.000 0.917 297 R CB 1.107 31.253 30.300 -0.255 0.000 1.173 297 R HN 0.600 nan 8.270 nan 0.000 0.472 298 A N 4.441 127.235 122.820 -0.043 0.000 2.256 298 A HA 0.358 4.678 4.320 -0.000 0.000 0.317 298 A C -0.915 176.595 177.584 -0.124 0.000 1.318 298 A CA -0.718 51.292 52.037 -0.044 0.000 0.894 298 A CB 0.690 19.746 19.000 0.093 0.000 1.165 298 A HN 0.721 nan 8.150 nan 0.000 0.525 299 D N 2.153 122.407 120.400 -0.244 0.000 2.232 299 D HA 0.541 5.181 4.640 -0.000 0.000 0.242 299 D C -0.915 175.247 176.300 -0.231 0.000 1.093 299 D CA 0.582 54.501 54.000 -0.135 0.000 0.845 299 D CB 1.226 41.961 40.800 -0.109 0.000 1.124 299 D HN 0.359 nan 8.370 nan 0.000 0.467 300 F N 0.469 120.403 119.950 -0.026 0.000 2.579 300 F HA 0.322 4.849 4.527 -0.000 0.000 0.324 300 F C 0.678 176.505 175.800 0.046 0.000 1.058 300 F CA -0.855 57.145 58.000 0.000 0.000 0.944 300 F CB 1.987 41.001 39.000 0.024 0.000 1.245 300 F HN 0.035 nan 8.300 nan 0.000 0.477 301 E N 1.547 121.917 120.200 0.282 0.000 2.199 301 E HA 0.301 4.651 4.350 -0.000 0.000 0.265 301 E C -1.740 175.010 176.600 0.251 0.000 0.882 301 E CA -0.736 55.798 56.400 0.222 0.000 0.759 301 E CB 2.436 32.214 29.700 0.130 0.000 1.148 301 E HN 0.410 nan 8.360 nan 0.000 0.412 302 F N 3.580 123.594 119.950 0.107 0.000 2.427 302 F HA 0.506 5.033 4.527 -0.000 0.000 0.346 302 F C -0.645 175.193 175.800 0.063 0.000 1.120 302 F CA -0.554 57.464 58.000 0.030 0.000 1.033 302 F CB 0.904 39.858 39.000 -0.076 0.000 1.126 302 F HN 0.271 nan 8.300 nan 0.000 0.462 303 R N 4.887 125.053 120.500 -0.556 0.000 2.522 303 R HA 0.252 4.592 4.340 -0.000 0.000 0.283 303 R C -0.755 175.151 176.300 -0.656 0.000 1.074 303 R CA -0.578 55.280 56.100 -0.404 0.000 0.925 303 R CB 1.003 31.222 30.300 -0.135 0.000 1.205 303 R HN 0.854 nan 8.270 nan 0.000 0.436 304 N N 2.410 120.794 118.700 -0.528 0.000 2.714 304 N HA -0.223 4.517 4.740 -0.000 0.000 0.252 304 N C 0.603 175.872 175.510 -0.402 0.000 1.014 304 N CA 1.776 54.664 53.050 -0.269 0.000 0.735 304 N CB -0.965 37.481 38.487 -0.067 0.000 0.924 304 N HN 1.096 nan 8.380 nan 0.000 0.540 305 G N -1.632 106.610 108.800 -0.930 0.000 2.253 305 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.251 305 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.251 305 G C -0.228 174.398 174.900 -0.457 0.000 0.998 305 G CA 0.521 45.344 45.100 -0.461 0.000 0.621 305 G HN 0.432 nan 8.290 nan 0.000 0.524 306 E N 0.681 120.514 120.200 -0.611 0.000 2.191 306 E HA 0.556 4.906 4.350 -0.000 0.000 0.278 306 E C 0.199 176.658 176.600 -0.236 0.000 0.972 306 E CA -0.542 55.684 56.400 -0.290 0.000 0.804 306 E CB 1.112 30.707 29.700 -0.174 0.000 1.110 306 E HN 0.184 nan 8.360 nan 0.000 0.394 307 M N 2.118 121.728 119.600 0.016 0.000 2.157 307 M HA 0.267 4.747 4.480 -0.000 0.000 0.354 307 M C -0.051 176.411 176.300 0.271 0.000 1.170 307 M CA -0.319 55.080 55.300 0.166 0.000 1.060 307 M CB 0.922 33.595 32.600 0.122 0.000 1.615 307 M HN 0.169 nan 8.290 nan 0.000 0.460 308 K N 4.172 124.761 120.400 0.316 0.000 2.376 308 K HA 0.438 4.758 4.320 -0.000 0.000 0.257 308 K C -1.067 175.696 176.600 0.272 0.000 0.939 308 K CA -0.447 56.014 56.287 0.290 0.000 0.809 308 K CB 1.911 34.501 32.500 0.149 0.000 1.121 308 K HN 0.773 nan 8.250 nan 0.000 0.425 309 M N 5.592 125.252 119.600 0.102 0.000 2.184 309 M HA 0.061 4.541 4.480 -0.000 0.000 0.351 309 M C -0.399 175.721 176.300 -0.300 0.000 1.395 309 M CA -0.010 54.979 55.300 -0.519 0.000 1.117 309 M CB 1.024 32.924 32.600 -1.167 0.000 1.708 309 M HN 0.537 nan 8.290 nan 0.000 0.468 310 V N 4.123 123.858 119.914 -0.298 0.000 3.455 310 V HA 0.244 4.364 4.120 -0.000 0.000 0.250 310 V C 0.059 176.048 176.094 -0.175 0.000 1.230 310 V CA 0.490 62.693 62.300 -0.160 0.000 1.105 310 V CB 0.394 32.167 31.823 -0.084 0.000 0.850 310 V HN 0.891 nan 8.190 nan 0.000 0.461 311 N N -0.773 117.781 118.700 -0.243 0.000 2.405 311 N HA 0.354 5.094 4.740 -0.000 0.000 0.274 311 N C -2.048 173.332 175.510 -0.218 0.000 1.170 311 N CA -0.399 52.537 53.050 -0.190 0.000 0.848 311 N CB 2.295 40.698 38.487 -0.140 0.000 1.629 311 N HN 0.063 nan 8.380 nan 0.000 0.481 312 Y N 1.294 121.427 120.300 -0.279 0.000 2.470 312 Y HA 0.442 4.992 4.550 -0.000 0.000 0.341 312 Y C -1.303 174.494 175.900 -0.172 0.000 1.021 312 Y CA -0.404 57.535 58.100 -0.268 0.000 1.025 312 Y CB 1.303 39.562 38.460 -0.335 0.000 1.266 312 Y HN 0.612 nan 8.280 nan 0.000 0.448 313 Q N 5.478 124.767 119.800 -0.851 0.000 2.435 313 Q HA 0.575 4.915 4.340 -0.000 0.000 0.282 313 Q C -2.364 173.207 176.000 -0.715 0.000 1.020 313 Q CA -1.108 54.357 55.803 -0.563 0.000 0.820 313 Q CB 2.578 31.149 28.738 -0.279 0.000 1.436 313 Q HN 0.769 nan 8.270 nan 0.000 0.395 314 L N 2.940 123.957 121.223 -0.343 0.000 2.287 314 L HA 0.529 4.869 4.340 -0.000 0.000 0.287 314 L C -0.764 176.091 176.870 -0.026 0.000 1.022 314 L CA -0.870 53.815 54.840 -0.259 0.000 0.814 314 L CB 1.283 43.123 42.059 -0.365 0.000 1.217 314 L HN 0.624 nan 8.230 nan 0.000 0.420 315 I N 5.852 126.428 120.570 0.011 0.000 2.307 315 I HA 0.284 4.454 4.170 -0.000 0.000 0.289 315 I C -2.148 174.062 176.117 0.155 0.000 1.021 315 I CA -2.029 59.304 61.300 0.054 0.000 1.224 315 I CB 1.398 39.375 38.000 -0.039 0.000 1.376 315 I HN 0.285 nan 8.210 nan 0.000 0.470 316 P HA 0.033 nan 4.420 nan 0.000 0.268 316 P C -0.494 176.789 177.300 -0.029 0.000 1.204 316 P CA -0.130 62.966 63.100 -0.006 0.000 0.768 316 P CB 0.640 32.343 31.700 0.006 0.000 0.842 317 V N 4.277 124.150 119.914 -0.068 0.000 2.247 317 V HA 0.140 4.260 4.120 -0.000 0.000 0.262 317 V C 0.377 176.479 176.094 0.013 0.000 1.096 317 V CA -0.520 61.773 62.300 -0.010 0.000 0.895 317 V CB -0.942 30.890 31.823 0.015 0.000 1.141 317 V HN 0.643 nan 8.190 nan 0.000 0.478 318 N N 2.455 121.159 118.700 0.006 0.000 2.714 318 N HA -0.183 4.557 4.740 -0.000 0.000 0.252 318 N C -0.192 175.338 175.510 0.034 0.000 1.014 318 N CA 0.707 53.763 53.050 0.009 0.000 0.735 318 N CB -0.761 37.712 38.487 -0.023 0.000 0.924 318 N HN 0.621 nan 8.380 nan 0.000 0.540 319 L N -0.180 121.087 121.223 0.074 0.000 2.417 319 L HA 0.246 4.586 4.340 -0.000 0.000 0.268 319 L C 0.899 177.923 176.870 0.256 0.000 1.158 319 L CA 0.246 55.176 54.840 0.152 0.000 0.819 319 L CB 0.645 42.759 42.059 0.092 0.000 1.112 319 L HN 0.002 nan 8.230 nan 0.000 0.458 320 K N 2.308 122.822 120.400 0.189 0.000 2.426 320 K HA 0.448 4.768 4.320 -0.000 0.000 0.251 320 K C -1.103 175.431 176.600 -0.110 0.000 0.941 320 K CA -0.957 55.308 56.287 -0.037 0.000 0.808 320 K CB 2.862 35.326 32.500 -0.059 0.000 1.265 320 K HN 0.345 nan 8.250 nan 0.000 0.432 321 K N 2.056 122.175 120.400 -0.469 0.000 2.159 321 K HA 0.185 4.505 4.320 -0.000 0.000 0.266 321 K C -0.814 175.655 176.600 -0.218 0.000 0.975 321 K CA -0.651 55.451 56.287 -0.307 0.000 0.865 321 K CB 1.257 33.465 32.500 -0.488 0.000 1.087 321 K HN 0.411 nan 8.250 nan 0.000 0.446 322 K N 3.965 124.276 120.400 -0.149 0.000 2.349 322 K HA 0.148 4.468 4.320 -0.000 0.000 0.288 322 K C -1.228 175.310 176.600 -0.103 0.000 1.058 322 K CA -0.363 55.838 56.287 -0.144 0.000 0.953 322 K CB 1.051 33.468 32.500 -0.138 0.000 0.997 322 K HN 0.407 nan 8.250 nan 0.000 0.477 323 V N 3.485 123.353 119.914 -0.077 0.000 2.823 323 V HA 0.466 4.586 4.120 -0.000 0.000 0.312 323 V C -1.189 174.943 176.094 0.063 0.000 1.072 323 V CA -0.377 61.893 62.300 -0.049 0.000 0.937 323 V CB 2.455 34.189 31.823 -0.149 0.000 1.013 323 V HN 0.875 nan 8.190 nan 0.000 0.430 324 T N 6.575 121.179 114.554 0.084 0.000 2.809 324 T HA 0.469 4.819 4.350 -0.000 0.000 0.296 324 T C -0.682 174.157 174.700 0.232 0.000 1.015 324 T CA -0.205 61.989 62.100 0.158 0.000 0.954 324 T CB 0.338 69.253 68.868 0.079 0.000 0.950 324 T HN 0.694 nan 8.240 nan 0.000 0.450 325 W N 1.578 122.859 121.300 -0.031 0.000 1.870 325 W HA 0.442 5.102 4.660 -0.000 0.000 0.428 325 W C 1.457 177.964 176.519 -0.020 0.000 1.853 325 W CA -1.293 56.036 57.345 -0.027 0.000 2.054 325 W CB -0.640 28.804 29.460 -0.027 0.000 1.431 325 W HN 0.559 nan 8.180 nan 0.000 0.739 326 E N 0.729 121.081 120.200 0.253 0.000 2.013 326 E HA -0.213 4.137 4.350 -0.000 0.000 0.202 326 E C 0.557 177.195 176.600 0.063 0.000 1.018 326 E CA 1.926 58.398 56.400 0.121 0.000 0.834 326 E CB -0.775 28.990 29.700 0.108 0.000 0.770 326 E HN 0.376 nan 8.360 nan 0.000 0.459 327 D N 0.574 120.987 120.400 0.022 0.000 2.487 327 D HA -0.051 4.589 4.640 -0.000 0.000 0.243 327 D C 0.969 177.242 176.300 -0.045 0.000 1.154 327 D CA 0.638 54.612 54.000 -0.044 0.000 0.876 327 D CB 0.984 41.715 40.800 -0.116 0.000 1.161 327 D HN 0.246 nan 8.370 nan 0.000 0.478 328 G N 2.699 111.482 108.800 -0.028 0.000 2.736 328 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.206 328 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.206 328 G C 0.814 175.694 174.900 -0.032 0.000 1.158 328 G CA -0.043 45.050 45.100 -0.011 0.000 0.801 328 G HN 0.558 nan 8.290 nan 0.000 0.528 329 K N 1.225 121.561 120.400 -0.106 0.000 2.402 329 K HA 0.148 4.468 4.320 -0.000 0.000 0.279 329 K C 0.279 176.854 176.600 -0.042 0.000 1.082 329 K CA 0.026 56.218 56.287 -0.159 0.000 1.080 329 K CB 0.121 32.401 32.500 -0.366 0.000 0.899 329 K HN 0.081 nan 8.250 nan 0.000 0.469 330 S N 4.101 119.812 115.700 0.018 0.000 2.442 330 S HA 0.281 4.751 4.470 -0.000 0.000 0.297 330 S C -1.004 173.645 174.600 0.083 0.000 1.131 330 S CA -0.721 57.526 58.200 0.077 0.000 1.092 330 S CB 0.402 63.624 63.200 0.037 0.000 0.998 330 S HN 0.666 nan 8.310 nan 0.000 0.478 331 E N 3.798 124.074 120.200 0.127 0.000 2.456 331 E HA 0.570 4.920 4.350 -0.000 0.000 0.276 331 E C -1.254 175.340 176.600 -0.010 0.000 0.981 331 E CA -1.340 55.108 56.400 0.080 0.000 0.814 331 E CB 1.011 30.807 29.700 0.161 0.000 1.382 331 E HN 0.413 nan 8.360 nan 0.000 0.459 332 R N 0.974 121.447 120.500 -0.045 0.000 2.343 332 R HA 0.399 4.739 4.340 -0.000 0.000 0.320 332 R C -0.588 175.654 176.300 -0.097 0.000 0.956 332 R CA -0.812 55.220 56.100 -0.114 0.000 0.836 332 R CB 1.707 31.921 30.300 -0.144 0.000 1.151 332 R HN 0.536 nan 8.270 nan 0.000 0.450 333 V N 1.573 121.384 119.914 -0.172 0.000 2.459 333 V HA 0.457 4.577 4.120 -0.000 0.000 0.295 333 V C 0.278 176.211 176.094 -0.269 0.000 1.029 333 V CA -1.099 61.086 62.300 -0.191 0.000 0.874 333 V CB 1.387 33.072 31.823 -0.230 0.000 0.985 333 V HN 0.602 nan 8.190 nan 0.000 0.438 334 L N 4.409 125.536 121.223 -0.160 0.000 2.490 334 L HA 0.154 4.494 4.340 -0.000 0.000 0.274 334 L C 0.841 177.626 176.870 -0.141 0.000 1.201 334 L CA 0.346 55.121 54.840 -0.109 0.000 0.869 334 L CB 0.219 42.258 42.059 -0.034 0.000 1.123 334 L HN 0.776 nan 8.230 nan 0.000 0.484 335 Y N 0.243 120.518 120.300 -0.042 0.000 2.365 335 Y HA -0.033 4.517 4.550 -0.000 0.000 0.293 335 Y C 1.454 177.332 175.900 -0.036 0.000 1.119 335 Y CA 0.572 58.645 58.100 -0.045 0.000 1.203 335 Y CB 0.144 38.580 38.460 -0.040 0.000 1.026 335 Y HN 0.682 nan 8.280 nan 0.000 0.549 336 T N -3.410 111.220 114.554 0.126 0.000 2.887 336 T HA 0.513 4.863 4.350 -0.000 0.000 0.292 336 T C -2.987 171.730 174.700 0.028 0.000 1.087 336 T CA -2.558 59.578 62.100 0.060 0.000 1.009 336 T CB 1.904 70.804 68.868 0.054 0.000 1.203 336 T HN -0.395 nan 8.240 nan 0.000 0.518 337 P HA 0.217 nan 4.420 nan 0.000 0.266 337 P C -0.267 177.032 177.300 -0.001 0.000 1.195 337 P CA -0.208 62.892 63.100 0.001 0.000 0.768 337 P CB 0.252 31.950 31.700 -0.004 0.000 0.838 338 E N 2.162 122.358 120.200 -0.007 0.000 2.414 338 E HA 0.092 4.442 4.350 -0.000 0.000 0.263 338 E C -0.469 176.122 176.600 -0.016 0.000 1.000 338 E CA -0.144 56.249 56.400 -0.011 0.000 0.914 338 E CB 0.158 29.849 29.700 -0.015 0.000 0.948 338 E HN 0.326 nan 8.360 nan 0.000 0.444 339 I N 3.811 124.369 120.570 -0.020 0.000 2.315 339 I HA 0.261 4.431 4.170 -0.000 0.000 0.291 339 I C 0.353 176.450 176.117 -0.033 0.000 1.006 339 I CA -0.694 60.591 61.300 -0.025 0.000 1.265 339 I CB 1.472 39.457 38.000 -0.025 0.000 1.387 339 I HN 0.539 nan 8.210 nan 0.000 0.475 340 A N 6.072 128.873 122.820 -0.031 0.000 2.462 340 A HA 0.171 4.491 4.320 -0.000 0.000 0.243 340 A C 0.241 177.798 177.584 -0.046 0.000 1.076 340 A CA -0.285 51.730 52.037 -0.037 0.000 0.773 340 A CB 0.068 19.051 19.000 -0.027 0.000 1.010 340 A HN 0.741 nan 8.150 nan 0.000 0.493 341 E N 1.990 122.153 120.200 -0.061 0.000 2.299 341 E HA -0.030 4.320 4.350 -0.000 0.000 0.272 341 E C -0.026 176.543 176.600 -0.051 0.000 1.043 341 E CA -0.243 56.111 56.400 -0.077 0.000 0.895 341 E CB 0.461 30.088 29.700 -0.122 0.000 1.011 341 E HN 0.666 nan 8.360 nan 0.000 0.432 342 N N 3.254 121.932 118.700 -0.038 0.000 2.447 342 N HA -0.127 4.613 4.740 -0.000 0.000 0.263 342 N C 0.754 176.257 175.510 -0.012 0.000 1.226 342 N CA 0.481 53.521 53.050 -0.018 0.000 0.906 342 N CB 1.039 39.522 38.487 -0.007 0.000 1.060 342 N HN 0.592 nan 8.380 nan 0.000 0.468 343 Q N 2.940 122.739 119.800 -0.002 0.000 2.123 343 Q HA -0.177 4.163 4.340 -0.000 0.000 0.199 343 Q C 1.735 177.750 176.000 0.026 0.000 0.966 343 Q CA 1.042 56.850 55.803 0.009 0.000 0.845 343 Q CB -0.012 28.732 28.738 0.010 0.000 0.907 343 Q HN 0.771 nan 8.270 nan 0.000 0.439 344 Q N -0.138 119.678 119.800 0.027 0.000 2.170 344 Q HA -0.214 4.126 4.340 -0.000 0.000 0.203 344 Q C 1.975 178.008 176.000 0.056 0.000 0.976 344 Q CA 1.605 57.432 55.803 0.039 0.000 0.858 344 Q CB -0.008 28.752 28.738 0.035 0.000 0.907 344 Q HN 0.436 nan 8.270 nan 0.000 0.433 345 M N -0.015 119.615 119.600 0.051 0.000 2.200 345 M HA -0.090 4.390 4.480 -0.000 0.000 0.265 345 M C 1.577 177.936 176.300 0.098 0.000 1.066 345 M CA 1.185 56.529 55.300 0.073 0.000 1.127 345 M CB -0.052 32.580 32.600 0.053 0.000 1.379 345 M HN 0.208 nan 8.290 nan 0.000 0.420 346 I N -0.024 120.581 120.570 0.059 0.000 2.286 346 I HA -0.212 3.958 4.170 -0.000 0.000 0.248 346 I C 2.103 178.319 176.117 0.165 0.000 1.115 346 I CA 1.282 62.637 61.300 0.092 0.000 1.392 346 I CB -1.661 36.349 38.000 0.015 0.000 1.065 346 I HN 0.331 nan 8.210 nan 0.000 0.418 347 S N 1.371 117.138 115.700 0.111 0.000 2.368 347 S HA -0.182 4.288 4.470 -0.000 0.000 0.225 347 S C 2.020 176.685 174.600 0.109 0.000 1.030 347 S CA 0.923 59.182 58.200 0.097 0.000 0.999 347 S CB -0.763 62.472 63.200 0.058 0.000 0.844 347 S HN 0.357 nan 8.310 nan 0.000 0.459 348 L N 1.529 122.827 121.223 0.125 0.000 2.042 348 L HA 0.009 4.349 4.340 -0.000 0.000 0.210 348 L C 1.958 178.979 176.870 0.251 0.000 1.076 348 L CA 1.696 56.631 54.840 0.158 0.000 0.749 348 L CB -0.466 41.679 42.059 0.144 0.000 0.893 348 L HN 0.291 nan 8.230 nan 0.000 0.432 349 L N -2.068 119.336 121.223 0.301 0.000 2.307 349 L HA 0.008 4.348 4.340 -0.000 0.000 0.211 349 L C 2.371 179.500 176.870 0.431 0.000 1.099 349 L CA 0.535 55.634 54.840 0.431 0.000 0.816 349 L CB -0.454 41.961 42.059 0.593 0.000 0.952 349 L HN 0.113 nan 8.230 nan 0.000 0.455 350 S N 0.620 116.536 115.700 0.361 0.000 2.370 350 S HA -0.094 4.376 4.470 -0.000 0.000 0.226 350 S C -0.552 174.053 174.600 0.009 0.000 1.033 350 S CA 1.519 59.847 58.200 0.214 0.000 1.011 350 S CB -0.973 62.355 63.200 0.215 0.000 0.852 350 S HN 0.289 nan 8.310 nan 0.000 0.457 351 P HA -0.013 nan 4.420 nan 0.000 0.218 351 P C 0.811 177.901 177.300 -0.351 0.000 1.149 351 P CA 0.925 63.866 63.100 -0.265 0.000 0.817 351 P CB -0.109 31.344 31.700 -0.412 0.000 0.785 352 F N -0.513 119.368 119.950 -0.114 0.000 2.163 352 F HA -0.088 4.439 4.527 -0.000 0.000 0.297 352 F C 2.678 178.411 175.800 -0.112 0.000 1.094 352 F CA 1.030 58.927 58.000 -0.172 0.000 1.290 352 F CB -1.260 37.521 39.000 -0.365 0.000 1.017 352 F HN -0.127 nan 8.300 nan 0.000 0.483 353 Q N 0.984 120.841 119.800 0.096 0.000 2.096 353 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 353 Q C 1.852 177.755 176.000 -0.161 0.000 0.982 353 Q CA 1.942 57.693 55.803 -0.086 0.000 0.850 353 Q CB -0.396 27.970 28.738 -0.620 0.000 0.901 353 Q HN 0.222 nan 8.270 nan 0.000 0.422 354 N N 0.129 118.740 118.700 -0.149 0.000 2.106 354 N HA -0.153 4.587 4.740 -0.000 0.000 0.188 354 N C 1.441 176.895 175.510 -0.093 0.000 1.029 354 N CA 1.446 54.420 53.050 -0.127 0.000 0.848 354 N CB -0.340 38.082 38.487 -0.110 0.000 1.007 354 N HN 0.344 nan 8.380 nan 0.000 0.423 355 K N 0.620 120.970 120.400 -0.083 0.000 2.097 355 K HA -0.068 4.252 4.320 -0.000 0.000 0.206 355 K C 1.987 178.575 176.600 -0.020 0.000 1.049 355 K CA 1.460 57.715 56.287 -0.053 0.000 0.933 355 K CB -0.349 32.116 32.500 -0.058 0.000 0.717 355 K HN 0.152 nan 8.250 nan 0.000 0.442 356 G N 1.327 110.127 108.800 -0.000 0.000 2.418 356 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 356 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 356 G C 1.345 176.215 174.900 -0.050 0.000 1.158 356 G CA 0.467 45.570 45.100 0.005 0.000 0.771 356 G HN 0.165 nan 8.290 nan 0.000 0.545 357 K N 1.033 121.380 120.400 -0.090 0.000 2.057 357 K HA 0.050 4.370 4.320 -0.000 0.000 0.207 357 K C 2.851 179.407 176.600 -0.073 0.000 1.049 357 K CA 1.173 57.395 56.287 -0.109 0.000 0.931 357 K CB -0.774 31.645 32.500 -0.134 0.000 0.714 357 K HN 0.271 nan 8.250 nan 0.000 0.440 358 A N 1.566 124.353 122.820 -0.056 0.000 1.902 358 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 358 A C 2.152 179.726 177.584 -0.016 0.000 1.181 358 A CA 1.394 53.409 52.037 -0.037 0.000 0.623 358 A CB -0.480 18.499 19.000 -0.034 0.000 0.818 358 A HN 0.398 nan 8.150 nan 0.000 0.443 359 Q N -0.236 119.562 119.800 -0.003 0.000 2.226 359 Q HA -0.069 4.271 4.340 -0.000 0.000 0.204 359 Q C 1.839 177.867 176.000 0.047 0.000 0.975 359 Q CA 1.149 56.969 55.803 0.028 0.000 0.866 359 Q CB -0.406 28.363 28.738 0.052 0.000 0.915 359 Q HN 0.701 nan 8.270 nan 0.000 0.440 360 L N 0.680 121.909 121.223 0.010 0.000 2.191 360 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 360 L C 1.750 178.644 176.870 0.039 0.000 1.103 360 L CA 0.741 55.590 54.840 0.016 0.000 0.769 360 L CB -0.322 41.680 42.059 -0.095 0.000 0.908 360 L HN 0.204 nan 8.230 nan 0.000 0.438 361 E N -0.119 120.088 120.200 0.012 0.000 2.489 361 E HA 0.071 4.421 4.350 -0.000 0.000 0.193 361 E C 0.561 177.172 176.600 0.019 0.000 1.057 361 E CA 0.072 56.477 56.400 0.009 0.000 0.866 361 E CB 0.082 29.777 29.700 -0.008 0.000 0.916 361 E HN 0.199 nan 8.360 nan 0.000 0.500 362 V N 2.303 122.234 119.914 0.029 0.000 2.715 362 V HA -0.018 4.102 4.120 -0.000 0.000 0.299 362 V C 0.746 176.854 176.094 0.024 0.000 1.054 362 V CA -0.365 61.950 62.300 0.024 0.000 1.077 362 V CB 0.871 32.710 31.823 0.028 0.000 0.972 362 V HN 0.049 nan 8.190 nan 0.000 0.484 363 K N 3.870 124.276 120.400 0.011 0.000 2.416 363 K HA 0.141 4.461 4.320 -0.000 0.000 0.283 363 K C 0.684 177.281 176.600 -0.005 0.000 1.037 363 K CA 0.021 56.310 56.287 0.003 0.000 0.995 363 K CB 0.319 32.818 32.500 -0.002 0.000 0.938 363 K HN 0.699 nan 8.250 nan 0.000 0.475 364 I N 0.535 121.096 120.570 -0.015 0.000 4.187 364 I HA 0.408 4.578 4.170 -0.000 0.000 0.326 364 I C 0.624 176.713 176.117 -0.047 0.000 1.302 364 I CA -0.363 60.914 61.300 -0.039 0.000 1.196 364 I CB 0.997 38.954 38.000 -0.072 0.000 1.095 364 I HN 0.625 nan 8.210 nan 0.000 0.411 365 G N 1.172 109.950 108.800 -0.036 0.000 2.561 365 G HA2 0.669 4.629 3.960 -0.000 0.000 0.310 365 G HA3 0.669 4.629 3.960 -0.000 0.000 0.310 365 G C -2.007 172.879 174.900 -0.024 0.000 1.292 365 G CA -0.580 44.498 45.100 -0.038 0.000 0.811 365 G HN 0.336 nan 8.290 nan 0.000 0.482 366 E N -1.280 118.908 120.200 -0.021 0.000 2.352 366 E HA 0.571 4.921 4.350 -0.000 0.000 0.280 366 E C -1.505 175.092 176.600 -0.004 0.000 0.930 366 E CA -0.920 55.474 56.400 -0.010 0.000 0.765 366 E CB 2.381 32.078 29.700 -0.005 0.000 1.219 366 E HN 0.478 nan 8.360 nan 0.000 0.434 367 T N 0.563 115.119 114.554 0.002 0.000 2.863 367 T HA 0.241 4.591 4.350 -0.000 0.000 0.285 367 T C 0.013 174.726 174.700 0.022 0.000 1.009 367 T CA -0.646 61.462 62.100 0.015 0.000 0.989 367 T CB 0.889 69.762 68.868 0.007 0.000 1.004 367 T HN 0.613 nan 8.240 nan 0.000 0.455 368 N N 2.406 121.127 118.700 0.035 0.000 2.398 368 N HA 0.308 5.048 4.740 -0.000 0.000 0.188 368 N C 0.443 175.973 175.510 0.034 0.000 1.122 368 N CA -0.088 52.981 53.050 0.032 0.000 0.866 368 N CB 0.417 38.925 38.487 0.035 0.000 0.970 368 N HN 0.757 nan 8.380 nan 0.000 0.462 369 G N -0.891 107.932 108.800 0.038 0.000 2.623 369 G HA2 0.348 4.308 3.960 -0.000 0.000 0.290 369 G HA3 0.348 4.308 3.960 -0.000 0.000 0.290 369 G C -1.671 173.247 174.900 0.031 0.000 1.437 369 G CA -1.133 43.988 45.100 0.035 0.000 0.798 369 G HN 0.207 nan 8.290 nan 0.000 0.488 370 R N 0.059 120.575 120.500 0.028 0.000 2.484 370 R HA 0.190 4.530 4.340 -0.000 0.000 0.293 370 R C -0.485 175.832 176.300 0.028 0.000 1.023 370 R CA -0.037 56.077 56.100 0.023 0.000 1.037 370 R CB -0.024 30.288 30.300 0.020 0.000 0.951 370 R HN 0.344 nan 8.270 nan 0.000 0.418 371 L N 4.059 125.293 121.223 0.018 0.000 2.260 371 L HA 0.222 4.562 4.340 -0.000 0.000 0.289 371 L C 0.038 176.920 176.870 0.020 0.000 1.057 371 L CA -0.357 54.492 54.840 0.016 0.000 0.811 371 L CB 1.300 43.354 42.059 -0.009 0.000 1.184 371 L HN 0.544 nan 8.230 nan 0.000 0.429 372 E N 2.315 122.535 120.200 0.033 0.000 2.081 372 E HA 0.445 4.795 4.350 -0.000 0.000 0.281 372 E C 0.434 177.057 176.600 0.039 0.000 0.986 372 E CA -0.204 56.217 56.400 0.034 0.000 0.796 372 E CB 1.316 31.041 29.700 0.042 0.000 1.085 372 E HN 0.598 nan 8.360 nan 0.000 0.398 373 G N 3.772 112.590 108.800 0.030 0.000 4.424 373 G HA2 0.033 3.993 3.960 -0.000 0.000 0.287 373 G HA3 0.033 3.993 3.960 -0.000 0.000 0.287 373 G C -0.347 174.572 174.900 0.032 0.000 1.023 373 G CA -0.448 44.673 45.100 0.035 0.000 0.790 373 G HN 0.594 nan 8.290 nan 0.000 0.468 374 D N 0.584 121.000 120.400 0.027 0.000 2.424 374 D HA 0.120 4.760 4.640 -0.000 0.000 0.244 374 D C 2.085 178.405 176.300 0.035 0.000 1.134 374 D CA -0.408 53.605 54.000 0.020 0.000 0.881 374 D CB 0.890 41.693 40.800 0.004 0.000 1.191 374 D HN 0.271 nan 8.370 nan 0.000 0.445 375 R N 3.241 123.765 120.500 0.040 0.000 2.113 375 R HA -0.236 4.104 4.340 -0.000 0.000 0.244 375 R C 0.598 176.951 176.300 0.089 0.000 1.142 375 R CA 1.756 57.895 56.100 0.065 0.000 0.953 375 R CB -0.554 29.784 30.300 0.064 0.000 0.860 375 R HN 0.492 nan 8.270 nan 0.000 0.438 376 D N 0.996 121.423 120.400 0.046 0.000 2.081 376 D HA -0.126 4.514 4.640 -0.000 0.000 0.194 376 D C 1.836 178.169 176.300 0.056 0.000 0.986 376 D CA 1.027 55.040 54.000 0.021 0.000 0.837 376 D CB -0.365 40.322 40.800 -0.187 0.000 0.985 376 D HN 0.125 nan 8.370 nan 0.000 0.448 377 K N 0.689 121.079 120.400 -0.016 0.000 2.071 377 K HA -0.178 4.142 4.320 -0.000 0.000 0.217 377 K C 2.299 178.948 176.600 0.081 0.000 1.054 377 K CA 1.454 57.753 56.287 0.020 0.000 0.937 377 K CB -0.960 31.551 32.500 0.017 0.000 0.719 377 K HN 0.288 nan 8.250 nan 0.000 0.454 378 V N -1.242 118.732 119.914 0.100 0.000 2.759 378 V HA -0.113 4.007 4.120 -0.000 0.000 0.256 378 V C 1.689 177.881 176.094 0.162 0.000 1.080 378 V CA 1.318 63.701 62.300 0.139 0.000 1.101 378 V CB -0.552 31.347 31.823 0.127 0.000 0.698 378 V HN 0.185 nan 8.190 nan 0.000 0.477 379 R N -1.805 118.758 120.500 0.104 0.000 2.388 379 R HA 0.403 4.743 4.340 -0.000 0.000 0.247 379 R C 0.885 176.873 176.300 -0.521 0.000 0.931 379 R CA 0.369 56.456 56.100 -0.020 0.000 1.082 379 R CB 0.122 30.473 30.300 0.086 0.000 1.135 379 R HN 0.570 nan 8.270 nan 0.000 0.525 380 F N -1.173 118.309 119.950 -0.780 0.000 2.244 380 F HA 0.118 4.645 4.527 -0.000 0.000 0.272 380 F C 0.496 175.754 175.800 -0.903 0.000 0.882 380 F CA -0.368 57.162 58.000 -0.784 0.000 1.101 380 F CB 0.689 39.492 39.000 -0.329 0.000 1.097 380 F HN -0.251 nan 8.300 nan 0.000 0.762 381 V N -1.582 118.184 119.914 -0.246 0.000 3.102 381 V HA 0.553 4.673 4.120 -0.000 0.000 0.312 381 V C -0.759 175.520 176.094 0.310 0.000 1.135 381 V CA -1.067 61.283 62.300 0.085 0.000 1.022 381 V CB 1.473 33.384 31.823 0.145 0.000 1.056 381 V HN -0.034 nan 8.190 nan 0.000 0.436 382 Q N 2.648 122.704 119.800 0.426 0.000 2.255 382 Q HA 0.295 4.635 4.340 -0.000 0.000 0.280 382 Q C 0.461 176.601 176.000 0.234 0.000 1.068 382 Q CA 0.708 56.726 55.803 0.358 0.000 0.911 382 Q CB 0.591 29.526 28.738 0.328 0.000 1.157 382 Q HN 1.137 nan 8.270 nan 0.000 0.380 383 T N -1.195 113.481 114.554 0.204 0.000 2.949 383 T HA 0.287 4.637 4.350 -0.000 0.000 0.287 383 T C 1.104 175.891 174.700 0.144 0.000 1.034 383 T CA -0.723 61.467 62.100 0.150 0.000 1.018 383 T CB 0.814 69.755 68.868 0.123 0.000 1.135 383 T HN 0.486 nan 8.240 nan 0.000 0.532 384 N N 0.770 119.547 118.700 0.127 0.000 2.453 384 N HA -0.100 4.640 4.740 -0.000 0.000 0.183 384 N C 1.471 177.038 175.510 0.095 0.000 1.041 384 N CA 0.941 54.077 53.050 0.144 0.000 0.900 384 N CB -0.763 37.813 38.487 0.149 0.000 0.961 384 N HN 0.585 nan 8.380 nan 0.000 0.443 385 M N 0.914 120.554 119.600 0.066 0.000 2.123 385 M HA 0.207 4.687 4.480 -0.000 0.000 0.263 385 M C 2.018 178.341 176.300 0.037 0.000 1.069 385 M CA 1.546 56.863 55.300 0.028 0.000 1.133 385 M CB -0.999 31.619 32.600 0.030 0.000 1.356 385 M HN 0.179 nan 8.290 nan 0.000 0.415 386 G N 0.533 109.380 108.800 0.078 0.000 2.574 386 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.220 386 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.220 386 G C 1.678 176.631 174.900 0.088 0.000 1.173 386 G CA 1.078 46.231 45.100 0.089 0.000 0.772 386 G HN 0.378 nan 8.290 nan 0.000 0.585 387 R N -0.375 120.201 120.500 0.127 0.000 2.115 387 R HA 0.073 4.413 4.340 -0.000 0.000 0.230 387 R C 2.483 178.868 176.300 0.142 0.000 1.111 387 R CA 0.725 56.932 56.100 0.180 0.000 0.976 387 R CB -1.082 29.386 30.300 0.281 0.000 0.870 387 R HN 0.452 nan 8.270 nan 0.000 0.445 388 L N 1.008 122.224 121.223 -0.011 0.000 2.005 388 L HA -0.051 4.289 4.340 -0.000 0.000 0.207 388 L C 2.142 178.906 176.870 -0.177 0.000 1.072 388 L CA 1.552 56.242 54.840 -0.251 0.000 0.744 388 L CB -0.537 41.316 42.059 -0.344 0.000 0.895 388 L HN 0.023 nan 8.230 nan 0.000 0.433 389 I N -0.931 119.584 120.570 -0.091 0.000 2.208 389 I HA -0.332 3.838 4.170 -0.000 0.000 0.245 389 I C 2.279 178.339 176.117 -0.095 0.000 1.097 389 I CA 1.455 62.711 61.300 -0.074 0.000 1.363 389 I CB -0.245 37.744 38.000 -0.017 0.000 1.051 389 I HN 0.284 nan 8.210 nan 0.000 0.413 390 L N -0.056 121.136 121.223 -0.051 0.000 2.209 390 L HA -0.022 4.318 4.340 -0.000 0.000 0.207 390 L C 2.754 179.568 176.870 -0.095 0.000 1.094 390 L CA 0.763 55.586 54.840 -0.029 0.000 0.790 390 L CB -0.591 41.494 42.059 0.045 0.000 0.932 390 L HN 0.169 nan 8.230 nan 0.000 0.447 391 A N 0.375 123.103 122.820 -0.153 0.000 1.933 391 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 391 A C 2.536 179.735 177.584 -0.642 0.000 1.175 391 A CA 1.659 53.527 52.037 -0.282 0.000 0.628 391 A CB -0.554 18.355 19.000 -0.153 0.000 0.814 391 A HN 0.371 nan 8.150 nan 0.000 0.444 392 A N -0.635 121.713 122.820 -0.787 0.000 1.898 392 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 392 A C 2.121 179.558 177.584 -0.245 0.000 1.181 392 A CA 1.585 53.211 52.037 -0.685 0.000 0.620 392 A CB -0.540 18.270 19.000 -0.316 0.000 0.819 392 A HN 0.645 nan 8.150 nan 0.000 0.442 393 Q N -0.885 118.823 119.800 -0.154 0.000 2.119 393 Q HA -0.113 4.227 4.340 -0.000 0.000 0.201 393 Q C 2.199 178.175 176.000 -0.041 0.000 0.972 393 Q CA 1.685 57.458 55.803 -0.050 0.000 0.847 393 Q CB -0.286 28.446 28.738 -0.011 0.000 0.903 393 Q HN 0.737 nan 8.270 nan 0.000 0.433 394 M N 0.125 119.684 119.600 -0.067 0.000 2.156 394 M HA -0.129 4.351 4.480 -0.000 0.000 0.264 394 M C 1.676 177.953 176.300 -0.039 0.000 1.067 394 M CA 1.357 56.631 55.300 -0.044 0.000 1.131 394 M CB -0.323 32.266 32.600 -0.017 0.000 1.368 394 M HN 0.116 nan 8.290 nan 0.000 0.416 395 D N 0.570 120.941 120.400 -0.048 0.000 2.158 395 D HA -0.223 4.417 4.640 -0.000 0.000 0.197 395 D C 2.034 178.332 176.300 -0.004 0.000 0.995 395 D CA 1.419 55.435 54.000 0.027 0.000 0.846 395 D CB 0.103 41.009 40.800 0.177 0.000 0.941 395 D HN 0.056 nan 8.370 nan 0.000 0.456 396 R N -0.411 120.074 120.500 -0.025 0.000 2.093 396 R HA 0.008 4.348 4.340 -0.000 0.000 0.224 396 R C 1.883 178.176 176.300 -0.011 0.000 1.101 396 R CA 2.028 58.100 56.100 -0.047 0.000 0.979 396 R CB -0.840 29.421 30.300 -0.065 0.000 0.877 396 R HN 0.294 nan 8.270 nan 0.000 0.441 397 T N -3.477 111.073 114.554 -0.005 0.000 3.086 397 T HA 0.243 4.593 4.350 -0.000 0.000 0.250 397 T C 1.153 175.711 174.700 -0.237 0.000 1.074 397 T CA 0.166 62.227 62.100 -0.064 0.000 0.988 397 T CB 0.117 68.982 68.868 -0.006 0.000 0.988 397 T HN 0.356 nan 8.240 nan 0.000 0.530 398 G N 1.592 110.313 108.800 -0.131 0.000 2.283 398 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.280 398 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.280 398 G C 0.341 175.162 174.900 -0.132 0.000 1.029 398 G CA 0.041 45.069 45.100 -0.120 0.000 0.840 398 G HN 1.166 nan 8.290 nan 0.000 0.505 399 A N -0.883 121.866 122.820 -0.118 0.000 2.313 399 A HA 0.603 4.923 4.320 -0.000 0.000 0.261 399 A C 1.236 178.835 177.584 0.024 0.000 1.090 399 A CA 0.557 52.545 52.037 -0.082 0.000 0.807 399 A CB 0.480 19.419 19.000 -0.101 0.000 1.055 399 A HN 0.200 nan 8.150 nan 0.000 0.492 400 D N -0.811 119.661 120.400 0.120 0.000 2.197 400 D HA 0.156 4.796 4.640 -0.000 0.000 0.212 400 D C 0.430 176.944 176.300 0.356 0.000 0.963 400 D CA 1.619 55.775 54.000 0.260 0.000 0.864 400 D CB 0.019 41.090 40.800 0.451 0.000 1.009 400 D HN 0.555 nan 8.370 nan 0.000 0.479 401 F N -0.292 119.733 119.950 0.124 0.000 2.922 401 F HA 0.768 5.295 4.527 -0.000 0.000 0.345 401 F C -1.550 174.330 175.800 0.134 0.000 1.209 401 F CA -1.500 56.575 58.000 0.124 0.000 1.018 401 F CB 1.215 40.293 39.000 0.130 0.000 1.472 401 F HN -0.096 nan 8.300 nan 0.000 0.521 402 A N 0.333 123.171 122.820 0.031 0.000 2.581 402 A HA 0.639 4.959 4.320 -0.000 0.000 0.294 402 A C -2.342 175.364 177.584 0.202 0.000 1.035 402 A CA -0.153 51.855 52.037 -0.048 0.000 0.684 402 A CB 0.909 19.912 19.000 0.004 0.000 1.282 402 A HN 1.933 nan 8.150 nan 0.000 0.417 403 V N 2.878 122.885 119.914 0.156 0.000 3.049 403 V HA 0.942 5.062 4.120 -0.000 0.000 0.309 403 V C -0.813 175.333 176.094 0.088 0.000 1.148 403 V CA -0.115 62.270 62.300 0.142 0.000 0.990 403 V CB 2.211 34.196 31.823 0.269 0.000 1.039 403 V HN 1.725 nan 8.190 nan 0.000 0.430 404 M N 2.320 121.928 119.600 0.013 0.000 2.755 404 M HA 0.663 5.143 4.480 -0.000 0.000 0.273 404 M C -0.869 175.404 176.300 -0.045 0.000 1.278 404 M CA -0.654 54.635 55.300 -0.019 0.000 0.819 404 M CB 2.000 34.601 32.600 0.003 0.000 1.694 404 M HN 0.358 nan 8.290 nan 0.000 0.460 405 S N 1.183 116.822 115.700 -0.101 0.000 2.510 405 S HA 0.260 4.730 4.470 -0.000 0.000 0.279 405 S C 1.281 175.914 174.600 0.055 0.000 1.284 405 S CA 0.073 58.268 58.200 -0.008 0.000 1.059 405 S CB 0.957 64.145 63.200 -0.020 0.000 0.901 405 S HN 0.907 nan 8.310 nan 0.000 0.491 406 G N 3.159 112.033 108.800 0.124 0.000 2.469 406 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.220 406 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.220 406 G C 1.341 176.317 174.900 0.128 0.000 1.136 406 G CA 0.663 45.866 45.100 0.172 0.000 0.759 406 G HN 0.796 nan 8.290 nan 0.000 0.562 407 G N 0.376 109.243 108.800 0.113 0.000 2.679 407 G HA2 0.192 4.152 3.960 -0.000 0.000 0.212 407 G HA3 0.192 4.152 3.960 -0.000 0.000 0.212 407 G C 1.542 176.479 174.900 0.061 0.000 1.137 407 G CA 1.001 46.152 45.100 0.086 0.000 0.787 407 G HN 0.562 nan 8.290 nan 0.000 0.534 408 G N 0.447 109.270 108.800 0.040 0.000 2.471 408 G HA2 0.015 3.975 3.960 -0.000 0.000 0.219 408 G HA3 0.015 3.975 3.960 -0.000 0.000 0.219 408 G C 0.707 175.643 174.900 0.059 0.000 1.125 408 G CA -0.134 44.989 45.100 0.038 0.000 0.775 408 G HN 0.434 nan 8.290 nan 0.000 0.548 409 I N 1.196 121.801 120.570 0.059 0.000 2.337 409 I HA 0.250 4.420 4.170 -0.000 0.000 0.291 409 I C 0.708 176.849 176.117 0.041 0.000 1.046 409 I CA -0.520 60.806 61.300 0.044 0.000 1.324 409 I CB 1.380 39.414 38.000 0.057 0.000 1.409 409 I HN -0.008 nan 8.210 nan 0.000 0.494 410 R N 3.447 123.951 120.500 0.006 0.000 2.476 410 R HA 0.351 4.691 4.340 -0.000 0.000 0.276 410 R C -0.393 175.897 176.300 -0.016 0.000 0.941 410 R CA -0.062 56.037 56.100 -0.003 0.000 1.088 410 R CB 0.131 30.386 30.300 -0.076 0.000 1.216 410 R HN 0.606 nan 8.270 nan 0.000 0.533 411 D N -1.082 119.312 120.400 -0.011 0.000 2.764 411 D HA 0.192 4.832 4.640 -0.000 0.000 0.293 411 D C -1.037 175.261 176.300 -0.003 0.000 1.287 411 D CA -0.200 53.794 54.000 -0.010 0.000 0.768 411 D CB 1.645 42.430 40.800 -0.026 0.000 1.288 411 D HN -0.211 nan 8.370 nan 0.000 0.426 412 S N -0.089 115.610 115.700 -0.001 0.000 2.687 412 S HA 0.682 5.152 4.470 -0.000 0.000 0.283 412 S C 0.028 174.627 174.600 -0.003 0.000 1.170 412 S CA -0.535 57.666 58.200 0.002 0.000 1.008 412 S CB 0.919 64.122 63.200 0.005 0.000 1.026 412 S HN 0.262 nan 8.310 nan 0.000 0.541 413 I N 1.597 122.165 120.570 -0.002 0.000 2.378 413 I HA 0.278 4.448 4.170 -0.000 0.000 0.291 413 I C 0.214 176.331 176.117 -0.000 0.000 0.992 413 I CA -0.385 60.913 61.300 -0.004 0.000 1.154 413 I CB 1.558 39.553 38.000 -0.008 0.000 1.315 413 I HN 0.584 nan 8.210 nan 0.000 0.448 414 E N 3.947 124.147 120.200 0.000 0.000 2.390 414 E HA 0.359 4.709 4.350 -0.000 0.000 0.261 414 E C 0.012 176.615 176.600 0.004 0.000 1.076 414 E CA -0.544 55.858 56.400 0.003 0.000 0.905 414 E CB 1.004 30.705 29.700 0.001 0.000 0.984 414 E HN 0.687 nan 8.360 nan 0.000 0.427 415 A N 2.091 124.915 122.820 0.008 0.000 2.565 415 A HA 0.407 4.727 4.320 -0.000 0.000 0.237 415 A C 0.760 178.348 177.584 0.007 0.000 1.053 415 A CA 0.928 52.971 52.037 0.010 0.000 0.755 415 A CB -0.373 18.634 19.000 0.013 0.000 0.980 415 A HN 0.773 nan 8.150 nan 0.000 0.506 416 G N 1.963 110.767 108.800 0.007 0.000 2.342 416 G HA2 0.099 4.059 3.960 -0.000 0.000 0.220 416 G HA3 0.099 4.059 3.960 -0.000 0.000 0.220 416 G C -0.956 173.944 174.900 0.001 0.000 1.243 416 G CA -0.189 44.913 45.100 0.004 0.000 1.083 416 G HN 0.851 nan 8.290 nan 0.000 0.500 417 D N 0.276 120.675 120.400 -0.001 0.000 2.382 417 D HA 0.557 5.197 4.640 -0.000 0.000 0.240 417 D C 0.445 176.743 176.300 -0.003 0.000 1.146 417 D CA 0.627 54.625 54.000 -0.003 0.000 0.897 417 D CB 0.946 41.745 40.800 -0.002 0.000 1.197 417 D HN 0.533 nan 8.370 nan 0.000 0.432 418 I N 0.816 121.383 120.570 -0.005 0.000 2.499 418 I HA 0.157 4.327 4.170 -0.000 0.000 0.288 418 I C 0.171 176.291 176.117 0.004 0.000 1.048 418 I CA -0.624 60.674 61.300 -0.003 0.000 1.062 418 I CB 1.794 39.787 38.000 -0.012 0.000 1.238 418 I HN 0.264 nan 8.210 nan 0.000 0.426 419 S N 4.830 120.542 115.700 0.020 0.000 2.718 419 S HA 0.352 4.822 4.470 -0.000 0.000 0.300 419 S C 0.725 175.385 174.600 0.100 0.000 1.117 419 S CA -0.438 57.789 58.200 0.046 0.000 1.002 419 S CB 1.424 64.648 63.200 0.040 0.000 1.092 419 S HN 0.587 nan 8.310 nan 0.000 0.542 420 Y N 1.377 121.663 120.300 -0.023 0.000 2.224 420 Y HA 0.003 4.553 4.550 -0.000 0.000 0.289 420 Y C 2.286 178.164 175.900 -0.036 0.000 1.146 420 Y CA 1.662 59.747 58.100 -0.026 0.000 1.182 420 Y CB -0.752 37.694 38.460 -0.022 0.000 0.983 420 Y HN 0.845 nan 8.280 nan 0.000 0.524 421 K N 0.712 121.173 120.400 0.102 0.000 2.063 421 K HA -0.207 4.113 4.320 -0.000 0.000 0.208 421 K C 1.689 178.294 176.600 0.009 0.000 1.048 421 K CA 2.133 58.420 56.287 -0.000 0.000 0.928 421 K CB -0.489 31.997 32.500 -0.024 0.000 0.713 421 K HN 0.511 nan 8.250 nan 0.000 0.442 422 N N -0.760 117.957 118.700 0.028 0.000 2.104 422 N HA -0.155 4.585 4.740 -0.000 0.000 0.190 422 N C 1.581 177.101 175.510 0.018 0.000 1.024 422 N CA 1.325 54.382 53.050 0.012 0.000 0.853 422 N CB -0.065 38.430 38.487 0.012 0.000 1.008 422 N HN -0.075 nan 8.380 nan 0.000 0.424 423 V N 1.339 121.290 119.914 0.063 0.000 2.343 423 V HA -0.173 3.947 4.120 -0.000 0.000 0.247 423 V C 2.069 178.198 176.094 0.058 0.000 1.051 423 V CA 1.373 63.717 62.300 0.074 0.000 1.036 423 V CB -0.475 31.425 31.823 0.128 0.000 0.654 423 V HN 0.300 nan 8.190 nan 0.000 0.451 424 L N -0.353 120.903 121.223 0.055 0.000 2.187 424 L HA -0.166 4.174 4.340 -0.000 0.000 0.213 424 L C 2.588 179.397 176.870 -0.103 0.000 1.100 424 L CA 1.274 56.085 54.840 -0.048 0.000 0.765 424 L CB -0.562 41.416 42.059 -0.134 0.000 0.904 424 L HN 0.272 nan 8.230 nan 0.000 0.437 425 K N -0.320 120.032 120.400 -0.079 0.000 2.103 425 K HA -0.035 4.285 4.320 -0.000 0.000 0.204 425 K C 2.088 178.619 176.600 -0.114 0.000 1.052 425 K CA 1.048 57.273 56.287 -0.102 0.000 0.945 425 K CB -0.479 31.982 32.500 -0.066 0.000 0.722 425 K HN 0.203 nan 8.250 nan 0.000 0.443 426 V N 1.335 121.206 119.914 -0.072 0.000 2.626 426 V HA -0.133 3.987 4.120 -0.000 0.000 0.252 426 V C 0.878 176.920 176.094 -0.088 0.000 1.067 426 V CA 1.323 63.586 62.300 -0.061 0.000 1.081 426 V CB -0.278 31.531 31.823 -0.024 0.000 0.686 426 V HN 0.309 nan 8.190 nan 0.000 0.468 427 Q N -0.317 119.420 119.800 -0.105 0.000 3.484 427 Q HA 0.241 4.581 4.340 -0.000 0.000 0.255 427 Q C -2.198 173.703 176.000 -0.165 0.000 0.909 427 Q CA -0.935 54.809 55.803 -0.100 0.000 0.774 427 Q CB 1.660 30.392 28.738 -0.009 0.000 1.431 427 Q HN 0.399 nan 8.270 nan 0.000 0.423 428 P HA 0.121 nan 4.420 nan 0.000 0.264 428 P C 0.471 177.584 177.300 -0.311 0.000 1.259 428 P CA 0.255 63.108 63.100 -0.412 0.000 0.841 428 P CB 0.245 31.567 31.700 -0.629 0.000 1.232 429 F N 0.297 120.254 119.950 0.011 0.000 2.664 429 F HA 0.450 4.977 4.527 -0.000 0.000 0.303 429 F C 1.684 177.524 175.800 0.067 0.000 1.092 429 F CA -0.165 57.855 58.000 0.033 0.000 1.305 429 F CB -0.885 38.120 39.000 0.009 0.000 1.054 429 F HN -0.011 nan 8.300 nan 0.000 0.565 430 G N 1.218 110.129 108.800 0.184 0.000 2.249 430 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.273 430 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.273 430 G C 0.156 175.184 174.900 0.214 0.000 1.036 430 G CA 0.111 45.314 45.100 0.172 0.000 0.824 430 G HN 0.478 nan 8.290 nan 0.000 0.504 431 N N -1.342 117.475 118.700 0.196 0.000 2.415 431 N HA 0.388 5.128 4.740 -0.000 0.000 0.248 431 N C 0.207 175.820 175.510 0.172 0.000 1.271 431 N CA -0.074 53.087 53.050 0.185 0.000 0.913 431 N CB 0.984 39.562 38.487 0.151 0.000 1.129 431 N HN 0.085 nan 8.380 nan 0.000 0.444 432 V N 1.788 121.805 119.914 0.172 0.000 2.435 432 V HA 0.220 4.340 4.120 -0.000 0.000 0.290 432 V C 0.147 176.327 176.094 0.143 0.000 1.030 432 V CA -0.804 61.587 62.300 0.152 0.000 0.881 432 V CB 1.567 33.470 31.823 0.133 0.000 0.983 432 V HN 0.333 nan 8.190 nan 0.000 0.445 433 V N 5.965 125.974 119.914 0.158 0.000 2.686 433 V HA 0.504 4.624 4.120 -0.000 0.000 0.295 433 V C 0.209 176.375 176.094 0.121 0.000 1.055 433 V CA -0.023 62.368 62.300 0.152 0.000 1.050 433 V CB 1.383 33.318 31.823 0.187 0.000 0.984 433 V HN 0.801 nan 8.190 nan 0.000 0.482 434 V N 2.810 122.775 119.914 0.084 0.000 3.130 434 V HA 0.883 5.003 4.120 -0.000 0.000 0.310 434 V C -1.181 174.941 176.094 0.047 0.000 1.158 434 V CA -0.885 61.395 62.300 -0.033 0.000 1.029 434 V CB 2.025 33.793 31.823 -0.091 0.000 1.057 434 V HN 0.913 nan 8.190 nan 0.000 0.436 435 Y N 0.047 120.278 120.300 -0.115 0.000 2.644 435 Y HA 1.011 5.561 4.550 -0.000 0.000 0.338 435 Y C -0.578 175.270 175.900 -0.087 0.000 1.119 435 Y CA -1.090 56.957 58.100 -0.088 0.000 1.060 435 Y CB 1.538 39.960 38.460 -0.062 0.000 1.294 435 Y HN 1.299 nan 8.280 nan 0.000 0.472 436 A N 1.683 124.646 122.820 0.237 0.000 2.427 436 A HA 0.550 4.870 4.320 -0.000 0.000 0.298 436 A C -1.835 175.874 177.584 0.209 0.000 1.036 436 A CA -0.778 51.365 52.037 0.177 0.000 0.701 436 A CB 1.012 20.068 19.000 0.094 0.000 1.250 436 A HN 0.716 nan 8.150 nan 0.000 0.412 437 D N 2.156 122.690 120.400 0.222 0.000 2.256 437 D HA 0.678 5.318 4.640 -0.000 0.000 0.250 437 D C -0.169 176.220 176.300 0.148 0.000 1.093 437 D CA 0.597 54.703 54.000 0.176 0.000 0.882 437 D CB 1.191 42.087 40.800 0.161 0.000 1.185 437 D HN 0.571 nan 8.370 nan 0.000 0.437 438 M N -0.335 119.370 119.600 0.174 0.000 2.413 438 M HA 0.253 4.733 4.480 -0.000 0.000 0.287 438 M C 0.033 176.468 176.300 0.225 0.000 1.186 438 M CA -1.123 54.281 55.300 0.174 0.000 0.927 438 M CB 1.713 34.411 32.600 0.164 0.000 1.715 438 M HN 0.128 nan 8.290 nan 0.000 0.478 439 T N -0.773 113.886 114.554 0.175 0.000 2.855 439 T HA 0.215 4.565 4.350 -0.000 0.000 0.322 439 T C 1.309 176.164 174.700 0.258 0.000 1.088 439 T CA 0.129 62.341 62.100 0.186 0.000 1.104 439 T CB 0.694 69.633 68.868 0.119 0.000 0.996 439 T HN 0.917 nan 8.240 nan 0.000 0.549 440 G N 1.083 110.073 108.800 0.316 0.000 2.462 440 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.220 440 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.220 440 G C 1.401 176.344 174.900 0.072 0.000 1.121 440 G CA 1.076 46.323 45.100 0.245 0.000 0.758 440 G HN 0.919 nan 8.290 nan 0.000 0.559 441 K N 0.733 121.185 120.400 0.087 0.000 2.076 441 K HA 0.098 4.418 4.320 -0.000 0.000 0.204 441 K C 2.131 178.768 176.600 0.061 0.000 1.051 441 K CA 1.442 57.760 56.287 0.051 0.000 0.949 441 K CB -0.327 32.201 32.500 0.047 0.000 0.726 441 K HN 0.315 nan 8.250 nan 0.000 0.443 442 E N 0.294 120.549 120.200 0.091 0.000 2.118 442 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 442 E C 1.884 178.575 176.600 0.151 0.000 0.992 442 E CA 1.399 57.868 56.400 0.115 0.000 0.804 442 E CB -0.059 29.712 29.700 0.118 0.000 0.741 442 E HN 0.126 nan 8.360 nan 0.000 0.458 443 V N 1.292 121.285 119.914 0.130 0.000 2.252 443 V HA -0.310 3.810 4.120 -0.000 0.000 0.249 443 V C 2.239 178.361 176.094 0.047 0.000 1.056 443 V CA 1.838 64.198 62.300 0.101 0.000 1.022 443 V CB -0.416 31.311 31.823 -0.162 0.000 0.641 443 V HN 0.293 nan 8.190 nan 0.000 0.445 444 I N 0.119 120.674 120.570 -0.026 0.000 2.226 444 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 444 I C 2.207 178.321 176.117 -0.006 0.000 1.100 444 I CA 1.665 62.934 61.300 -0.051 0.000 1.374 444 I CB -0.441 37.522 38.000 -0.062 0.000 1.057 444 I HN 0.364 nan 8.210 nan 0.000 0.413 445 D N -0.543 119.884 120.400 0.046 0.000 2.224 445 D HA -0.185 4.455 4.640 -0.000 0.000 0.205 445 D C 1.789 178.143 176.300 0.089 0.000 0.965 445 D CA 1.131 55.161 54.000 0.050 0.000 0.852 445 D CB -0.135 40.701 40.800 0.061 0.000 0.947 445 D HN 0.390 nan 8.370 nan 0.000 0.494 446 Y N 1.399 121.725 120.300 0.042 0.000 2.138 446 Y HA -0.031 4.519 4.550 -0.000 0.000 0.286 446 Y C 2.267 178.219 175.900 0.087 0.000 1.115 446 Y CA 1.045 59.195 58.100 0.083 0.000 1.105 446 Y CB -0.452 38.104 38.460 0.160 0.000 1.004 446 Y HN -0.201 nan 8.280 nan 0.000 0.494 447 L N -0.314 121.041 121.223 0.221 0.000 2.081 447 L HA -0.305 4.035 4.340 -0.000 0.000 0.212 447 L C 2.326 179.157 176.870 -0.065 0.000 1.080 447 L CA 1.870 56.794 54.840 0.140 0.000 0.754 447 L CB -0.969 41.159 42.059 0.114 0.000 0.893 447 L HN 0.314 nan 8.230 nan 0.000 0.433 448 T N -0.180 114.306 114.554 -0.114 0.000 2.622 448 T HA -0.240 4.110 4.350 -0.000 0.000 0.266 448 T C 1.860 176.478 174.700 -0.135 0.000 1.047 448 T CA 1.699 63.700 62.100 -0.164 0.000 1.159 448 T CB -0.262 68.533 68.868 -0.121 0.000 0.863 448 T HN 0.493 nan 8.240 nan 0.000 0.422 449 A N 0.103 122.842 122.820 -0.136 0.000 2.119 449 A HA 0.120 4.440 4.320 -0.000 0.000 0.217 449 A C 2.410 179.855 177.584 -0.232 0.000 1.153 449 A CA 0.659 52.602 52.037 -0.157 0.000 0.692 449 A CB -0.480 18.432 19.000 -0.147 0.000 0.799 449 A HN 0.371 nan 8.150 nan 0.000 0.458 450 V N -0.846 118.908 119.914 -0.267 0.000 2.599 450 V HA -0.030 4.090 4.120 -0.000 0.000 0.245 450 V C 2.750 178.812 176.094 -0.052 0.000 1.046 450 V CA 1.393 63.489 62.300 -0.340 0.000 1.065 450 V CB -0.261 31.326 31.823 -0.393 0.000 0.703 450 V HN 0.544 nan 8.190 nan 0.000 0.464 451 A N -0.809 122.075 122.820 0.107 0.000 2.216 451 A HA -0.209 4.111 4.320 -0.000 0.000 0.214 451 A C 1.993 179.718 177.584 0.235 0.000 1.160 451 A CA 1.450 53.685 52.037 0.331 0.000 0.725 451 A CB -0.415 18.610 19.000 0.041 0.000 0.784 451 A HN 0.591 nan 8.150 nan 0.000 0.472 452 Q N -0.927 118.892 119.800 0.032 0.000 2.436 452 Q HA 0.024 4.364 4.340 -0.000 0.000 0.209 452 Q C 0.469 176.435 176.000 -0.058 0.000 0.965 452 Q CA 0.325 56.120 55.803 -0.014 0.000 0.910 452 Q CB -0.112 28.593 28.738 -0.054 0.000 0.980 452 Q HN 0.460 nan 8.270 nan 0.000 0.491 453 M N 1.325 120.870 119.600 -0.091 0.000 2.240 453 M HA 0.158 4.638 4.480 -0.000 0.000 0.333 453 M C -0.090 176.136 176.300 -0.123 0.000 1.110 453 M CA 0.396 55.629 55.300 -0.113 0.000 1.173 453 M CB 0.755 33.259 32.600 -0.160 0.000 1.458 453 M HN -0.112 nan 8.290 nan 0.000 0.458 454 K N 2.328 122.672 120.400 -0.093 0.000 2.238 454 K HA 0.644 4.964 4.320 -0.000 0.000 0.239 454 K C -2.333 174.223 176.600 -0.074 0.000 0.987 454 K CA -1.690 54.523 56.287 -0.124 0.000 0.857 454 K CB 0.616 33.048 32.500 -0.113 0.000 1.154 454 K HN 0.320 nan 8.250 nan 0.000 0.439 455 P HA -0.091 nan 4.420 nan 0.000 0.282 455 P C -0.239 176.681 177.300 -0.633 0.000 1.286 455 P CA -0.087 62.701 63.100 -0.520 0.000 0.777 455 P CB 0.151 31.454 31.700 -0.663 0.000 1.184 456 D N -0.675 118.951 120.400 -1.289 0.000 2.916 456 D HA -0.173 4.467 4.640 -0.000 0.000 0.211 456 D C -0.878 175.247 176.300 -0.291 0.000 1.260 456 D CA 1.211 54.720 54.000 -0.819 0.000 0.711 456 D CB -1.034 39.553 40.800 -0.356 0.000 0.915 456 D HN 0.539 nan 8.370 nan 0.000 0.391 457 S N -0.652 114.927 115.700 -0.202 0.000 2.604 457 S HA 0.441 4.911 4.470 -0.000 0.000 0.296 457 S C 1.161 175.792 174.600 0.052 0.000 1.097 457 S CA -0.060 58.118 58.200 -0.036 0.000 0.883 457 S CB 1.232 64.418 63.200 -0.022 0.000 1.081 457 S HN 0.136 nan 8.310 nan 0.000 0.448 458 G N 1.960 110.809 108.800 0.081 0.000 2.507 458 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.221 458 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.221 458 G C 1.386 176.382 174.900 0.161 0.000 1.119 458 G CA 1.061 46.230 45.100 0.115 0.000 0.751 458 G HN 1.618 nan 8.290 nan 0.000 0.574 459 A N -0.613 122.314 122.820 0.177 0.000 2.209 459 A HA 0.212 4.532 4.320 -0.000 0.000 0.212 459 A C 0.983 178.704 177.584 0.228 0.000 1.158 459 A CA -0.240 51.959 52.037 0.270 0.000 0.742 459 A CB -0.466 18.687 19.000 0.254 0.000 0.790 459 A HN 0.458 nan 8.150 nan 0.000 0.472 460 Y N 2.717 123.043 120.300 0.044 0.000 2.745 460 Y HA 0.174 4.724 4.550 -0.000 0.000 0.335 460 Y C -2.241 173.678 175.900 0.032 0.000 1.212 460 Y CA -2.397 55.687 58.100 -0.027 0.000 1.535 460 Y CB 0.314 38.710 38.460 -0.106 0.000 1.220 460 Y HN 0.152 nan 8.280 nan 0.000 0.531 461 P HA -0.010 nan 4.420 nan 0.000 0.276 461 P C -1.138 175.766 177.300 -0.660 0.000 1.243 461 P CA 0.032 62.785 63.100 -0.578 0.000 0.768 461 P CB 0.999 32.224 31.700 -0.791 0.000 0.856 462 Q N 2.862 122.470 119.800 -0.320 0.000 2.261 462 Q HA 0.414 4.754 4.340 -0.000 0.000 0.252 462 Q C -0.319 175.504 176.000 -0.295 0.000 0.915 462 Q CA 0.040 55.766 55.803 -0.129 0.000 0.915 462 Q CB 0.626 29.393 28.738 0.048 0.000 1.204 462 Q HN 0.418 nan 8.270 nan 0.000 0.421 463 F N -0.021 120.027 119.950 0.163 0.000 2.579 463 F HA 0.760 5.287 4.527 -0.000 0.000 0.324 463 F C -0.050 175.835 175.800 0.142 0.000 1.058 463 F CA -1.100 57.003 58.000 0.173 0.000 0.944 463 F CB 1.830 40.914 39.000 0.140 0.000 1.245 463 F HN 0.490 nan 8.300 nan 0.000 0.477 464 A N 1.255 124.298 122.820 0.372 0.000 2.455 464 A HA 0.641 4.961 4.320 -0.000 0.000 0.300 464 A C -0.357 177.383 177.584 0.260 0.000 1.040 464 A CA -0.780 51.408 52.037 0.251 0.000 0.697 464 A CB 0.888 19.996 19.000 0.181 0.000 1.265 464 A HN 0.830 nan 8.150 nan 0.000 0.407 465 N N -0.895 117.905 118.700 0.167 0.000 2.741 465 N HA -0.141 4.599 4.740 -0.000 0.000 0.251 465 N C -0.548 175.013 175.510 0.085 0.000 1.112 465 N CA 1.401 54.532 53.050 0.135 0.000 0.750 465 N CB -1.260 37.335 38.487 0.180 0.000 1.119 465 N HN 0.631 nan 8.380 nan 0.000 0.561 466 V N 0.533 120.473 119.914 0.044 0.000 2.495 466 V HA 0.688 4.808 4.120 -0.000 0.000 0.298 466 V C 0.098 176.033 176.094 -0.265 0.000 1.031 466 V CA -0.506 61.728 62.300 -0.110 0.000 0.871 466 V CB 2.078 33.868 31.823 -0.055 0.000 0.988 466 V HN 0.339 nan 8.190 nan 0.000 0.432 467 S N 5.112 120.641 115.700 -0.285 0.000 2.557 467 S HA 0.947 5.417 4.470 -0.000 0.000 0.291 467 S C -1.000 173.422 174.600 -0.297 0.000 1.116 467 S CA -0.627 57.358 58.200 -0.358 0.000 0.992 467 S CB 2.019 65.095 63.200 -0.207 0.000 1.028 467 S HN 1.029 nan 8.310 nan 0.000 0.484 468 F N -0.666 119.086 119.950 -0.329 0.000 2.773 468 F HA 0.810 5.337 4.527 -0.000 0.000 0.314 468 F C -2.190 173.405 175.800 -0.341 0.000 1.160 468 F CA -1.549 56.253 58.000 -0.329 0.000 0.920 468 F CB 0.654 39.425 39.000 -0.382 0.000 1.323 468 F HN 0.395 nan 8.300 nan 0.000 0.457 469 V N 2.028 122.027 119.914 0.142 0.000 2.376 469 V HA 0.777 4.897 4.120 -0.000 0.000 0.287 469 V C 0.048 176.128 176.094 -0.023 0.000 1.015 469 V CA -0.630 61.696 62.300 0.043 0.000 0.834 469 V CB 0.771 32.581 31.823 -0.021 0.000 1.001 469 V HN 1.175 nan 8.190 nan 0.000 0.428 470 A N 4.827 127.590 122.820 -0.095 0.000 2.366 470 A HA 0.803 5.123 4.320 -0.000 0.000 0.272 470 A C -0.112 177.453 177.584 -0.031 0.000 1.135 470 A CA -0.300 51.617 52.037 -0.200 0.000 0.804 470 A CB 0.631 19.463 19.000 -0.280 0.000 1.064 470 A HN 0.908 nan 8.150 nan 0.000 0.499 471 K N 2.175 122.557 120.400 -0.031 0.000 2.571 471 K HA 0.430 4.750 4.320 -0.000 0.000 0.252 471 K C -1.145 175.454 176.600 -0.002 0.000 0.956 471 K CA -0.285 56.010 56.287 0.013 0.000 0.822 471 K CB 1.034 33.539 32.500 0.009 0.000 1.286 471 K HN 0.528 nan 8.250 nan 0.000 0.439 472 D N 3.544 123.956 120.400 0.020 0.000 2.835 472 D HA -0.138 4.502 4.640 -0.000 0.000 0.230 472 D C 0.475 176.773 176.300 -0.004 0.000 1.130 472 D CA 1.970 55.975 54.000 0.009 0.000 0.738 472 D CB -1.257 39.543 40.800 -0.001 0.000 1.090 472 D HN 1.259 nan 8.370 nan 0.000 0.433 473 G N -0.165 108.639 108.800 0.007 0.000 2.249 473 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.273 473 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.273 473 G C 0.201 175.063 174.900 -0.064 0.000 1.036 473 G CA 1.124 46.216 45.100 -0.014 0.000 0.824 473 G HN 0.540 nan 8.290 nan 0.000 0.504 474 K N -1.106 119.239 120.400 -0.091 0.000 2.502 474 K HA 0.688 5.008 4.320 -0.000 0.000 0.257 474 K C -0.175 176.306 176.600 -0.199 0.000 0.938 474 K CA -0.949 55.260 56.287 -0.131 0.000 0.819 474 K CB 1.493 33.942 32.500 -0.085 0.000 1.333 474 K HN 0.108 nan 8.250 nan 0.000 0.434 475 L N 3.007 124.079 121.223 -0.252 0.000 2.295 475 L HA 0.486 4.826 4.340 -0.000 0.000 0.285 475 L C -0.566 176.194 176.870 -0.184 0.000 1.035 475 L CA -0.957 53.679 54.840 -0.340 0.000 0.806 475 L CB 1.166 42.931 42.059 -0.491 0.000 1.214 475 L HN 0.462 nan 8.230 nan 0.000 0.426 476 N N 3.244 121.867 118.700 -0.129 0.000 2.372 476 N HA 0.228 4.968 4.740 -0.000 0.000 0.285 476 N C -0.938 174.545 175.510 -0.044 0.000 1.008 476 N CA -0.521 52.486 53.050 -0.072 0.000 0.880 476 N CB 1.923 40.378 38.487 -0.053 0.000 1.239 476 N HN 0.553 nan 8.380 nan 0.000 0.484 477 D N 0.411 120.784 120.400 -0.046 0.000 2.739 477 D HA -0.169 4.471 4.640 -0.000 0.000 0.240 477 D C -0.287 175.989 176.300 -0.041 0.000 1.114 477 D CA 0.285 54.260 54.000 -0.041 0.000 0.695 477 D CB -1.017 39.760 40.800 -0.038 0.000 1.078 477 D HN 0.358 nan 8.370 nan 0.000 0.434 478 L N 0.613 121.804 121.223 -0.054 0.000 2.500 478 L HA 0.166 4.506 4.340 -0.000 0.000 0.272 478 L C 0.183 176.993 176.870 -0.101 0.000 1.149 478 L CA 0.538 55.337 54.840 -0.069 0.000 0.897 478 L CB 0.190 42.178 42.059 -0.118 0.000 1.178 478 L HN -0.017 nan 8.230 nan 0.000 0.473 479 K N 6.214 126.546 120.400 -0.112 0.000 2.450 479 K HA 0.476 4.796 4.320 -0.000 0.000 0.257 479 K C -1.078 175.427 176.600 -0.157 0.000 0.953 479 K CA -0.707 55.512 56.287 -0.114 0.000 0.844 479 K CB 1.581 34.033 32.500 -0.080 0.000 1.103 479 K HN 0.352 nan 8.250 nan 0.000 0.429 480 I N 3.857 124.316 120.570 -0.185 0.000 2.352 480 I HA 0.058 4.228 4.170 -0.000 0.000 0.290 480 I C 0.295 176.417 176.117 0.009 0.000 1.036 480 I CA -0.471 60.740 61.300 -0.148 0.000 1.336 480 I CB 0.262 38.117 38.000 -0.241 0.000 1.407 480 I HN 0.672 nan 8.210 nan 0.000 0.497 481 K N 4.939 125.360 120.400 0.035 0.000 3.156 481 K HA -0.238 4.082 4.320 -0.000 0.000 0.266 481 K C 1.046 177.663 176.600 0.027 0.000 0.966 481 K CA 0.584 56.902 56.287 0.052 0.000 0.719 481 K CB -1.750 30.804 32.500 0.090 0.000 1.333 481 K HN 1.144 nan 8.250 nan 0.000 0.468 482 G N -0.759 108.040 108.800 -0.001 0.000 2.205 482 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.261 482 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.261 482 G C -0.263 174.636 174.900 -0.002 0.000 0.980 482 G CA 0.631 45.727 45.100 -0.007 0.000 0.632 482 G HN 0.404 nan 8.290 nan 0.000 0.533 483 E N 1.061 121.268 120.200 0.011 0.000 2.183 483 E HA 0.519 4.869 4.350 -0.000 0.000 0.271 483 E C -2.664 173.940 176.600 0.006 0.000 0.919 483 E CA -2.390 54.022 56.400 0.020 0.000 0.781 483 E CB 1.641 31.370 29.700 0.048 0.000 1.140 483 E HN 0.106 nan 8.360 nan 0.000 0.402 484 P HA -0.049 nan 4.420 nan 0.000 0.269 484 P C -0.250 177.053 177.300 0.006 0.000 1.211 484 P CA -0.093 62.997 63.100 -0.016 0.000 0.781 484 P CB 0.388 32.083 31.700 -0.009 0.000 0.877 485 V N 0.698 120.588 119.914 -0.039 0.000 2.686 485 V HA 0.284 4.404 4.120 -0.000 0.000 0.295 485 V C 0.317 176.446 176.094 0.059 0.000 1.057 485 V CA -0.185 62.101 62.300 -0.023 0.000 1.012 485 V CB 1.097 32.802 31.823 -0.197 0.000 1.006 485 V HN 0.491 nan 8.190 nan 0.000 0.477 486 D N 4.201 124.703 120.400 0.170 0.000 2.414 486 D HA 0.408 5.048 4.640 -0.000 0.000 0.232 486 D C -1.843 174.541 176.300 0.140 0.000 1.070 486 D CA -2.354 51.720 54.000 0.124 0.000 0.839 486 D CB 2.230 43.097 40.800 0.113 0.000 1.079 486 D HN 0.145 nan 8.370 nan 0.000 0.521 487 P HA -0.122 nan 4.420 nan 0.000 0.218 487 P C 0.587 177.942 177.300 0.091 0.000 1.146 487 P CA 1.260 64.406 63.100 0.077 0.000 0.820 487 P CB 0.274 31.999 31.700 0.042 0.000 0.778 488 A N -2.468 120.398 122.820 0.077 0.000 2.345 488 A HA 0.066 4.386 4.320 -0.000 0.000 0.225 488 A C 1.091 178.707 177.584 0.054 0.000 1.243 488 A CA 0.055 52.129 52.037 0.060 0.000 0.875 488 A CB -0.506 18.517 19.000 0.037 0.000 0.929 488 A HN -0.060 nan 8.150 nan 0.000 0.502 489 K N 0.530 120.979 120.400 0.081 0.000 2.168 489 K HA 0.297 4.617 4.320 -0.000 0.000 0.258 489 K C -0.667 175.915 176.600 -0.030 0.000 1.010 489 K CA 0.247 56.522 56.287 -0.020 0.000 0.929 489 K CB 0.580 33.038 32.500 -0.071 0.000 0.998 489 K HN 0.140 nan 8.250 nan 0.000 0.479 490 T N 3.134 117.590 114.554 -0.164 0.000 2.767 490 T HA 0.376 4.726 4.350 -0.000 0.000 0.288 490 T C -0.960 173.594 174.700 -0.244 0.000 0.963 490 T CA -0.186 61.865 62.100 -0.083 0.000 1.019 490 T CB 0.088 68.931 68.868 -0.042 0.000 0.923 490 T HN 0.257 nan 8.240 nan 0.000 0.468 491 Y N 1.424 121.794 120.300 0.117 0.000 2.409 491 Y HA 0.507 5.057 4.550 -0.000 0.000 0.343 491 Y C 0.552 176.554 175.900 0.170 0.000 0.973 491 Y CA -1.203 57.004 58.100 0.178 0.000 1.064 491 Y CB 1.544 40.176 38.460 0.287 0.000 1.207 491 Y HN 0.388 nan 8.280 nan 0.000 0.452 492 R N 3.793 124.444 120.500 0.251 0.000 2.196 492 R HA 0.386 4.726 4.340 -0.000 0.000 0.340 492 R C -0.831 175.439 176.300 -0.050 0.000 1.043 492 R CA -0.328 55.826 56.100 0.089 0.000 0.883 492 R CB 0.503 30.768 30.300 -0.059 0.000 1.078 492 R HN 0.785 nan 8.270 nan 0.000 0.462 493 M N 3.781 123.252 119.600 -0.216 0.000 2.144 493 M HA 0.338 4.817 4.480 -0.000 0.000 0.356 493 M C -0.648 175.512 176.300 -0.233 0.000 1.217 493 M CA -0.319 54.608 55.300 -0.623 0.000 1.087 493 M CB 1.354 33.530 32.600 -0.708 0.000 1.609 493 M HN 0.711 nan 8.290 nan 0.000 0.467 494 A N 3.872 126.571 122.820 -0.202 0.000 2.327 494 A HA 0.722 5.042 4.320 -0.000 0.000 0.283 494 A C -0.156 177.414 177.584 -0.024 0.000 1.127 494 A CA -0.254 51.759 52.037 -0.040 0.000 0.810 494 A CB 1.214 20.210 19.000 -0.006 0.000 1.066 494 A HN 0.871 nan 8.150 nan 0.000 0.492 495 T N 0.501 115.082 114.554 0.045 0.000 2.630 495 T HA 0.502 4.852 4.350 -0.000 0.000 0.300 495 T C -1.486 173.271 174.700 0.095 0.000 1.261 495 T CA -0.469 61.676 62.100 0.076 0.000 1.060 495 T CB 0.281 69.217 68.868 0.114 0.000 1.670 495 T HN 0.417 nan 8.240 nan 0.000 0.473 496 L N 3.264 124.551 121.223 0.106 0.000 2.352 496 L HA 0.463 4.803 4.340 -0.000 0.000 0.269 496 L C 1.895 178.867 176.870 0.171 0.000 1.034 496 L CA -0.361 54.560 54.840 0.135 0.000 0.806 496 L CB 1.169 43.314 42.059 0.143 0.000 1.244 496 L HN 0.940 nan 8.230 nan 0.000 0.447 497 N N 1.204 120.017 118.700 0.188 0.000 2.137 497 N HA -0.297 4.443 4.740 -0.000 0.000 0.190 497 N C 1.600 177.232 175.510 0.203 0.000 1.017 497 N CA 1.594 54.767 53.050 0.206 0.000 0.859 497 N CB -0.746 37.856 38.487 0.192 0.000 1.002 497 N HN 0.579 nan 8.380 nan 0.000 0.428 498 F N 2.087 122.071 119.950 0.056 0.000 2.051 498 F HA -0.134 4.393 4.527 -0.000 0.000 0.296 498 F C 1.832 177.627 175.800 -0.008 0.000 1.122 498 F CA 1.827 59.840 58.000 0.022 0.000 1.201 498 F CB -0.618 38.385 39.000 0.005 0.000 0.978 498 F HN -0.023 nan 8.300 nan 0.000 0.472 499 N N 0.577 119.312 118.700 0.059 0.000 2.149 499 N HA -0.160 4.580 4.740 -0.000 0.000 0.188 499 N C 1.833 177.378 175.510 0.058 0.000 1.019 499 N CA 1.545 54.527 53.050 -0.114 0.000 0.857 499 N CB -0.735 37.617 38.487 -0.225 0.000 0.997 499 N HN 0.419 nan 8.380 nan 0.000 0.426 500 A N -0.041 122.846 122.820 0.111 0.000 2.015 500 A HA -0.074 4.246 4.320 -0.000 0.000 0.219 500 A C 1.819 179.419 177.584 0.026 0.000 1.163 500 A CA 1.721 53.845 52.037 0.144 0.000 0.646 500 A CB -0.783 18.381 19.000 0.273 0.000 0.806 500 A HN 0.451 nan 8.150 nan 0.000 0.448 501 T N -4.916 109.623 114.554 -0.024 0.000 3.223 501 T HA 0.470 4.820 4.350 -0.000 0.000 0.259 501 T C 1.099 175.733 174.700 -0.111 0.000 1.015 501 T CA 0.876 62.929 62.100 -0.079 0.000 0.908 501 T CB 0.177 69.009 68.868 -0.060 0.000 1.054 501 T HN 1.546 nan 8.240 nan 0.000 0.567 502 G N 0.443 109.189 108.800 -0.090 0.000 2.195 502 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.224 502 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.224 502 G C 0.529 175.333 174.900 -0.160 0.000 0.990 502 G CA -0.356 44.700 45.100 -0.074 0.000 0.639 502 G HN 1.008 nan 8.290 nan 0.000 0.514 503 G N -0.080 108.457 108.800 -0.438 0.000 2.414 503 G HA2 0.430 4.390 3.960 -0.000 0.000 0.236 503 G HA3 0.430 4.390 3.960 -0.000 0.000 0.236 503 G C 0.611 175.327 174.900 -0.307 0.000 1.293 503 G CA 1.054 45.643 45.100 -0.851 0.000 0.869 503 G HN 0.802 nan 8.290 nan 0.000 0.556 504 D N 0.070 120.436 120.400 -0.056 0.000 3.059 504 D HA -0.200 4.440 4.640 -0.000 0.000 0.220 504 D C 1.659 178.107 176.300 0.246 0.000 1.169 504 D CA 2.540 56.677 54.000 0.228 0.000 0.902 504 D CB -1.259 39.761 40.800 0.366 0.000 1.116 504 D HN 1.752 nan 8.370 nan 0.000 0.417 505 G N -1.000 107.864 108.800 0.106 0.000 2.168 505 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.257 505 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.257 505 G C 0.291 175.232 174.900 0.068 0.000 0.997 505 G CA 0.522 45.657 45.100 0.058 0.000 0.708 505 G HN 0.451 nan 8.290 nan 0.000 0.520 506 Y N 0.622 120.889 120.300 -0.056 0.000 2.652 506 Y HA 0.345 4.895 4.550 -0.000 0.000 0.344 506 Y C -1.394 174.495 175.900 -0.018 0.000 1.254 506 Y CA -1.189 56.883 58.100 -0.045 0.000 1.480 506 Y CB 0.226 38.690 38.460 0.007 0.000 1.345 506 Y HN 0.056 nan 8.280 nan 0.000 0.617 507 P HA 0.136 nan 4.420 nan 0.000 0.271 507 P C -0.581 176.847 177.300 0.213 0.000 1.220 507 P CA -0.178 62.992 63.100 0.116 0.000 0.768 507 P CB 0.456 32.231 31.700 0.125 0.000 0.848 508 R N 2.611 123.174 120.500 0.105 0.000 2.570 508 R HA 0.103 4.443 4.340 -0.000 0.000 0.277 508 R C 0.797 177.124 176.300 0.044 0.000 1.039 508 R CA 0.210 56.338 56.100 0.047 0.000 1.065 508 R CB 0.088 30.377 30.300 -0.019 0.000 0.964 508 R HN 0.548 nan 8.270 nan 0.000 0.428 509 L N 1.944 123.152 121.223 -0.026 0.000 2.817 509 L HA 0.041 4.381 4.340 -0.000 0.000 0.248 509 L C 1.241 177.887 176.870 -0.373 0.000 1.133 509 L CA -0.004 54.792 54.840 -0.072 0.000 0.935 509 L CB 0.216 42.302 42.059 0.044 0.000 1.266 509 L HN 0.660 nan 8.230 nan 0.000 0.535 510 D N -0.159 119.858 120.400 -0.639 0.000 2.347 510 D HA -0.127 4.513 4.640 -0.000 0.000 0.215 510 D C 0.903 176.845 176.300 -0.596 0.000 0.976 510 D CA 0.634 53.891 54.000 -1.238 0.000 0.884 510 D CB -0.303 39.978 40.800 -0.866 0.000 0.915 510 D HN 0.408 nan 8.370 nan 0.000 0.526 511 N N -0.108 118.410 118.700 -0.304 0.000 2.214 511 N HA 0.027 4.767 4.740 -0.000 0.000 0.214 511 N C -0.168 175.283 175.510 -0.099 0.000 1.132 511 N CA -0.273 52.682 53.050 -0.159 0.000 0.856 511 N CB 0.302 38.724 38.487 -0.109 0.000 1.020 511 N HN -0.175 nan 8.380 nan 0.000 0.509 512 K N 0.531 120.875 120.400 -0.093 0.000 2.172 512 K HA 0.195 4.515 4.320 -0.000 0.000 0.276 512 K C -0.254 176.367 176.600 0.034 0.000 1.013 512 K CA -0.881 55.398 56.287 -0.013 0.000 0.913 512 K CB 1.403 33.913 32.500 0.016 0.000 1.055 512 K HN 0.148 nan 8.250 nan 0.000 0.461 513 c N 1.507 120.126 118.600 0.031 0.000 2.611 513 c HA 0.293 4.863 4.570 -0.000 0.000 0.416 513 c C 1.708 175.845 174.090 0.078 0.000 1.366 513 c CA 2.163 58.521 56.329 0.048 0.000 1.761 513 c CB -1.584 40.946 42.510 0.034 0.000 2.619 513 c HN 1.036 nan 8.230 nan 0.000 0.606 514 G N 3.461 112.314 108.800 0.088 0.000 2.258 514 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.233 514 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.233 514 G C 0.095 175.059 174.900 0.106 0.000 1.006 514 G CA 0.333 45.497 45.100 0.108 0.000 0.620 514 G HN 1.108 nan 8.290 nan 0.000 0.511 515 Y N 1.571 121.846 120.300 -0.040 0.000 2.620 515 Y HA 0.431 4.981 4.550 -0.000 0.000 0.330 515 Y C 0.087 175.861 175.900 -0.210 0.000 1.186 515 Y CA 0.502 58.537 58.100 -0.108 0.000 1.467 515 Y CB 0.838 39.256 38.460 -0.071 0.000 1.262 515 Y HN 0.295 nan 8.280 nan 0.000 0.550 516 V N 6.957 126.243 119.914 -1.046 0.000 2.612 516 V HA 0.152 4.272 4.120 -0.000 0.000 0.301 516 V C -0.787 174.654 176.094 -1.088 0.000 1.059 516 V CA -1.382 60.314 62.300 -1.007 0.000 0.886 516 V CB 1.775 32.885 31.823 -1.188 0.000 1.007 516 V HN 0.812 nan 8.190 nan 0.000 0.426 517 N N 2.790 121.031 118.700 -0.766 0.000 2.415 517 N HA 0.095 4.835 4.740 -0.000 0.000 0.246 517 N C 1.235 176.614 175.510 -0.219 0.000 1.078 517 N CA 0.471 53.270 53.050 -0.417 0.000 0.942 517 N CB 1.922 40.304 38.487 -0.175 0.000 1.140 517 N HN 0.884 nan 8.380 nan 0.000 0.501 518 T N 0.509 114.980 114.554 -0.138 0.000 3.023 518 T HA 0.102 4.452 4.350 -0.000 0.000 0.266 518 T C 1.365 175.947 174.700 -0.198 0.000 1.093 518 T CA 0.841 62.890 62.100 -0.085 0.000 1.129 518 T CB -0.236 68.741 68.868 0.181 0.000 0.899 518 T HN 0.593 nan 8.240 nan 0.000 0.491 519 G N 0.822 109.545 108.800 -0.129 0.000 2.184 519 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.264 519 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.264 519 G C -0.123 174.599 174.900 -0.297 0.000 0.975 519 G CA 0.085 45.041 45.100 -0.240 0.000 0.642 519 G HN 0.550 nan 8.290 nan 0.000 0.536 520 F N 1.041 121.055 119.950 0.108 0.000 2.384 520 F HA 0.625 5.152 4.527 -0.000 0.000 0.338 520 F C 0.891 176.733 175.800 0.071 0.000 1.103 520 F CA -1.566 56.492 58.000 0.096 0.000 1.157 520 F CB 0.789 39.871 39.000 0.138 0.000 1.167 520 F HN -0.117 nan 8.300 nan 0.000 0.529 521 I N 3.191 123.922 120.570 0.268 0.000 2.440 521 I HA 0.094 4.264 4.170 -0.000 0.000 0.294 521 I C 1.072 177.288 176.117 0.165 0.000 0.995 521 I CA -0.662 60.744 61.300 0.176 0.000 1.306 521 I CB 1.183 39.259 38.000 0.126 0.000 1.407 521 I HN 0.606 nan 8.210 nan 0.000 0.501 522 D N 5.145 125.628 120.400 0.137 0.000 2.133 522 D HA -0.228 4.412 4.640 -0.000 0.000 0.195 522 D C 1.661 178.017 176.300 0.094 0.000 0.997 522 D CA 1.875 55.940 54.000 0.107 0.000 0.840 522 D CB -0.205 40.651 40.800 0.094 0.000 0.947 522 D HN 0.564 nan 8.370 nan 0.000 0.452 523 A N 0.405 123.292 122.820 0.112 0.000 1.897 523 A HA -0.174 4.146 4.320 -0.000 0.000 0.215 523 A C 2.218 179.912 177.584 0.183 0.000 1.181 523 A CA 1.579 53.707 52.037 0.152 0.000 0.620 523 A CB -0.633 18.474 19.000 0.178 0.000 0.821 523 A HN 0.262 nan 8.150 nan 0.000 0.443 524 E N 0.456 120.772 120.200 0.193 0.000 2.077 524 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 524 E C 2.032 178.634 176.600 0.004 0.000 0.989 524 E CA 1.653 58.130 56.400 0.127 0.000 0.800 524 E CB -0.262 29.546 29.700 0.181 0.000 0.746 524 E HN 0.294 nan 8.360 nan 0.000 0.452 525 V N 1.691 121.628 119.914 0.038 0.000 2.332 525 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 525 V C 2.672 178.771 176.094 0.009 0.000 1.055 525 V CA 1.711 64.012 62.300 0.002 0.000 1.038 525 V CB -0.614 31.227 31.823 0.030 0.000 0.651 525 V HN 0.275 nan 8.190 nan 0.000 0.450 526 L N 0.332 121.562 121.223 0.012 0.000 2.093 526 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 526 L C 2.354 179.220 176.870 -0.007 0.000 1.085 526 L CA 2.003 56.853 54.840 0.016 0.000 0.755 526 L CB -0.865 41.200 42.059 0.010 0.000 0.904 526 L HN 0.219 nan 8.230 nan 0.000 0.435 527 K N 0.066 120.401 120.400 -0.108 0.000 2.025 527 K HA -0.092 4.228 4.320 -0.000 0.000 0.207 527 K C 1.932 178.415 176.600 -0.196 0.000 1.049 527 K CA 1.396 57.527 56.287 -0.260 0.000 0.933 527 K CB -0.303 31.752 32.500 -0.743 0.000 0.714 527 K HN 0.399 nan 8.250 nan 0.000 0.438 528 A N 0.598 123.326 122.820 -0.153 0.000 1.883 528 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 528 A C 2.197 179.755 177.584 -0.043 0.000 1.186 528 A CA 1.597 53.574 52.037 -0.100 0.000 0.624 528 A CB -1.019 17.932 19.000 -0.081 0.000 0.822 528 A HN 0.561 nan 8.150 nan 0.000 0.444 529 Y N 0.484 120.723 120.300 -0.101 0.000 2.181 529 Y HA -0.171 4.379 4.550 -0.000 0.000 0.288 529 Y C 2.016 177.876 175.900 -0.066 0.000 1.146 529 Y CA 1.788 59.846 58.100 -0.070 0.000 1.164 529 Y CB -0.209 38.218 38.460 -0.054 0.000 0.982 529 Y HN 0.278 nan 8.280 nan 0.000 0.515 530 I N 0.043 120.584 120.570 -0.047 0.000 2.286 530 I HA -0.328 3.842 4.170 -0.000 0.000 0.248 530 I C 2.490 178.515 176.117 -0.153 0.000 1.115 530 I CA 1.710 62.941 61.300 -0.115 0.000 1.392 530 I CB -0.501 37.466 38.000 -0.056 0.000 1.065 530 I HN 0.309 nan 8.210 nan 0.000 0.418 531 Q N 1.577 121.295 119.800 -0.136 0.000 2.226 531 Q HA -0.222 4.118 4.340 -0.000 0.000 0.204 531 Q C 2.085 178.012 176.000 -0.121 0.000 0.975 531 Q CA 1.589 57.322 55.803 -0.116 0.000 0.866 531 Q CB 0.126 28.800 28.738 -0.107 0.000 0.915 531 Q HN 0.565 nan 8.270 nan 0.000 0.440 532 K N -2.103 118.198 120.400 -0.165 0.000 2.348 532 K HA 0.174 4.494 4.320 -0.000 0.000 0.194 532 K C 1.463 177.945 176.600 -0.196 0.000 1.052 532 K CA 0.762 56.956 56.287 -0.155 0.000 1.004 532 K CB 0.381 32.797 32.500 -0.140 0.000 0.873 532 K HN -0.090 nan 8.250 nan 0.000 0.523 533 S N 1.017 116.536 115.700 -0.302 0.000 2.528 533 S HA 0.106 4.576 4.470 -0.000 0.000 0.219 533 S C 0.349 174.867 174.600 -0.136 0.000 0.985 533 S CA -0.333 57.702 58.200 -0.275 0.000 0.914 533 S CB 0.262 63.170 63.200 -0.487 0.000 0.776 533 S HN 0.204 nan 8.310 nan 0.000 0.526 534 S N 3.501 119.133 115.700 -0.114 0.000 2.562 534 S HA 0.311 4.781 4.470 -0.000 0.000 0.281 534 S C -1.961 172.616 174.600 -0.038 0.000 1.333 534 S CA -0.759 57.405 58.200 -0.061 0.000 1.052 534 S CB 0.335 63.501 63.200 -0.055 0.000 0.884 534 S HN 0.292 nan 8.310 nan 0.000 0.506 535 P HA 0.439 nan 4.420 nan 0.000 0.287 535 P C -1.044 176.267 177.300 0.019 0.000 1.270 535 P CA -0.706 62.391 63.100 -0.004 0.000 0.844 535 P CB 0.579 32.281 31.700 0.002 0.000 1.068 536 L N 1.468 122.712 121.223 0.035 0.000 2.350 536 L HA 0.320 4.660 4.340 -0.000 0.000 0.275 536 L C 0.516 177.456 176.870 0.117 0.000 1.099 536 L CA -0.262 54.638 54.840 0.100 0.000 0.808 536 L CB 0.546 42.652 42.059 0.078 0.000 1.149 536 L HN 0.391 nan 8.230 nan 0.000 0.442 537 D N 1.486 121.988 120.400 0.171 0.000 2.441 537 D HA 0.179 4.819 4.640 -0.000 0.000 0.231 537 D C 0.755 177.179 176.300 0.207 0.000 1.073 537 D CA -0.593 53.484 54.000 0.129 0.000 0.850 537 D CB 1.839 42.678 40.800 0.065 0.000 1.062 537 D HN 0.287 nan 8.370 nan 0.000 0.524 538 V N 2.281 122.313 119.914 0.198 0.000 2.720 538 V HA -0.163 3.957 4.120 -0.000 0.000 0.256 538 V C 1.920 178.127 176.094 0.189 0.000 1.082 538 V CA 1.840 64.295 62.300 0.258 0.000 1.101 538 V CB -1.178 30.737 31.823 0.154 0.000 0.693 538 V HN 0.516 nan 8.190 nan 0.000 0.479 539 S N 0.744 116.498 115.700 0.091 0.000 2.383 539 S HA -0.124 4.346 4.470 -0.000 0.000 0.227 539 S C 1.843 176.435 174.600 -0.014 0.000 1.026 539 S CA 1.427 59.652 58.200 0.042 0.000 0.981 539 S CB -0.854 62.359 63.200 0.022 0.000 0.818 539 S HN 0.482 nan 8.310 nan 0.000 0.472 540 V N 0.361 120.217 119.914 -0.096 0.000 2.867 540 V HA -0.124 3.996 4.120 -0.000 0.000 0.260 540 V C 1.617 177.455 176.094 -0.426 0.000 1.099 540 V CA 1.441 63.575 62.300 -0.278 0.000 1.122 540 V CB -1.230 30.358 31.823 -0.391 0.000 0.708 540 V HN 0.581 nan 8.190 nan 0.000 0.490 541 Y N -0.664 119.672 120.300 0.061 0.000 2.458 541 Y HA 0.321 4.871 4.550 -0.000 0.000 0.256 541 Y C 1.178 177.116 175.900 0.063 0.000 1.159 541 Y CA -0.732 57.408 58.100 0.068 0.000 1.261 541 Y CB 0.145 38.650 38.460 0.076 0.000 1.119 541 Y HN 0.245 nan 8.280 nan 0.000 0.524 542 E N 3.153 123.431 120.200 0.130 0.000 2.257 542 E HA 0.140 4.490 4.350 -0.000 0.000 0.278 542 E C -2.406 174.245 176.600 0.086 0.000 1.049 542 E CA -2.393 54.072 56.400 0.108 0.000 0.876 542 E CB 0.553 30.300 29.700 0.078 0.000 1.035 542 E HN -0.028 nan 8.360 nan 0.000 0.419 543 P HA -0.014 nan 4.420 nan 0.000 0.264 543 P C -0.987 176.349 177.300 0.060 0.000 1.193 543 P CA 0.348 63.502 63.100 0.089 0.000 0.763 543 P CB 0.487 32.261 31.700 0.122 0.000 0.810 544 K N 1.993 122.414 120.400 0.034 0.000 3.010 544 K HA 0.364 4.684 4.320 -0.000 0.000 0.211 544 K C 0.762 177.363 176.600 0.002 0.000 1.146 544 K CA -0.197 56.101 56.287 0.018 0.000 1.070 544 K CB 0.005 32.508 32.500 0.005 0.000 0.908 544 K HN 0.735 nan 8.250 nan 0.000 0.463 545 G N 1.645 110.451 108.800 0.009 0.000 2.176 545 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.252 545 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.252 545 G C 0.476 175.322 174.900 -0.090 0.000 1.024 545 G CA 0.404 45.495 45.100 -0.014 0.000 0.755 545 G HN 0.466 nan 8.290 nan 0.000 0.507 546 E N -1.067 119.062 120.200 -0.119 0.000 2.152 546 E HA 0.201 4.551 4.350 -0.000 0.000 0.192 546 E C 1.609 177.953 176.600 -0.427 0.000 0.983 546 E CA 1.281 57.559 56.400 -0.205 0.000 0.818 546 E CB 0.189 29.796 29.700 -0.156 0.000 0.758 546 E HN 1.148 nan 8.360 nan 0.000 0.467 547 V N -1.371 118.236 119.914 -0.512 0.000 2.628 547 V HA 0.793 4.913 4.120 -0.000 0.000 0.306 547 V C -0.440 175.264 176.094 -0.650 0.000 1.045 547 V CA -0.755 60.934 62.300 -1.017 0.000 0.905 547 V CB 1.986 33.015 31.823 -1.323 0.000 0.997 547 V HN 0.069 nan 8.190 nan 0.000 0.436 548 S N 2.820 118.025 115.700 -0.824 0.000 2.565 548 S HA 0.764 5.234 4.470 -0.000 0.000 0.269 548 S C -1.642 172.734 174.600 -0.373 0.000 1.153 548 S CA -0.765 57.250 58.200 -0.309 0.000 0.835 548 S CB 1.730 64.887 63.200 -0.071 0.000 1.122 548 S HN 0.992 nan 8.310 nan 0.000 0.462 549 W N 1.081 122.481 121.300 0.167 0.000 2.957 549 W HA 0.494 5.154 4.660 -0.000 0.000 0.336 549 W C -0.067 176.511 176.519 0.098 0.000 1.087 549 W CA -0.488 56.947 57.345 0.149 0.000 1.235 549 W CB 1.475 31.032 29.460 0.161 0.000 1.399 549 W HN 1.001 nan 8.180 nan 0.000 0.480 550 Q N 0.000 119.952 119.800 0.254 0.000 2.315 550 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 550 Q CA 0.000 55.904 55.803 0.169 0.000 1.022 550 Q CB 0.000 28.840 28.738 0.170 0.000 1.108 550 Q HN 0.000 nan 8.270 nan 0.000 0.481