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 2p9v_1_A DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSKTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLQVPD EVKSSSDLLR FYQNWQPAWA PGTQRLYANS DATA SEQUENCE SIGLFGALAV KPSGLSFEQA MQTRVFQPLK LNHTWINVPP AEEKNYAWGY DATA SEQUENCE REGKAVHVSP GALDAEAYGV KSTIEDMARW VQSNLKPLDI NEKTLQQGIQ DATA SEQUENCE LAQSRYWQTG DMYQGLGWEM LDWPVNPDSI INXXXNKIAL AARPVKAITP DATA SEQUENCE PTPAVRASWV HXTGATGGFG SYVAFIPEKE LGIVMLANKN YPNPARVDAA DATA SEQUENCE WQILNALQ 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.490 177.584 -0.156 0.000 1.274 4 A CA 0.000 51.954 52.037 -0.139 0.000 0.836 4 A CB 0.000 18.951 19.000 -0.082 0.000 0.831 5 P HA 0.166 nan 4.420 nan 0.000 0.265 5 P C 0.761 177.971 177.300 -0.151 0.000 1.187 5 P CA 0.025 63.000 63.100 -0.208 0.000 0.766 5 P CB 0.542 32.055 31.700 -0.312 0.000 0.820 6 Q N 1.589 121.337 119.800 -0.086 0.000 2.181 6 Q HA -0.283 4.045 4.340 -0.019 0.000 0.205 6 Q C 1.953 177.917 176.000 -0.060 0.000 0.980 6 Q CA 1.498 57.274 55.803 -0.045 0.000 0.862 6 Q CB -0.036 28.686 28.738 -0.028 0.000 0.905 6 Q HN 0.525 nan 8.270 nan 0.000 0.429 7 Q N 0.136 119.872 119.800 -0.107 0.000 2.061 7 Q HA -0.205 4.123 4.340 -0.019 0.000 0.204 7 Q C 1.941 177.856 176.000 -0.141 0.000 0.984 7 Q CA 1.725 57.457 55.803 -0.119 0.000 0.846 7 Q CB -0.110 28.535 28.738 -0.155 0.000 0.902 7 Q HN 0.521 nan 8.270 nan 0.000 0.421 8 I N 0.540 120.984 120.570 -0.209 0.000 2.163 8 I HA -0.251 3.907 4.170 -0.019 0.000 0.240 8 I C 2.301 178.368 176.117 -0.083 0.000 1.081 8 I CA 1.195 62.377 61.300 -0.198 0.000 1.353 8 I CB -0.522 37.287 38.000 -0.319 0.000 1.054 8 I HN 0.336 nan 8.210 nan 0.000 0.407 9 N N 1.316 120.050 118.700 0.055 0.000 2.036 9 N HA -0.276 4.452 4.740 -0.019 0.000 0.199 9 N C 1.480 177.080 175.510 0.151 0.000 1.036 9 N CA 2.341 55.527 53.050 0.226 0.000 0.870 9 N CB -0.080 38.542 38.487 0.224 0.000 1.055 9 N HN 0.210 nan 8.380 nan 0.000 0.436 10 D N -0.311 120.125 120.400 0.061 0.000 2.097 10 D HA -0.127 4.501 4.640 -0.019 0.000 0.195 10 D C 1.933 178.244 176.300 0.019 0.000 0.989 10 D CA 0.743 54.774 54.000 0.051 0.000 0.827 10 D CB -0.467 40.342 40.800 0.015 0.000 0.966 10 D HN 0.350 nan 8.370 nan 0.000 0.456 11 I N 0.455 121.003 120.570 -0.037 0.000 2.315 11 I HA -0.201 3.957 4.170 -0.019 0.000 0.248 11 I C 2.122 178.189 176.117 -0.084 0.000 1.117 11 I CA 0.860 62.130 61.300 -0.049 0.000 1.404 11 I CB -0.090 37.874 38.000 -0.059 0.000 1.071 11 I HN -0.180 nan 8.210 nan 0.000 0.419 12 V N 0.180 119.979 119.914 -0.192 0.000 2.261 12 V HA -0.333 3.776 4.120 -0.019 0.000 0.246 12 V C 2.389 178.357 176.094 -0.210 0.000 1.047 12 V CA 2.408 64.510 62.300 -0.328 0.000 1.015 12 V CB -1.096 30.199 31.823 -0.879 0.000 0.642 12 V HN 0.470 nan 8.190 nan 0.000 0.446 13 H N -0.180 118.855 119.070 -0.058 0.000 2.387 13 H HA -0.073 4.471 4.556 -0.020 0.000 0.299 13 H C 2.514 177.867 175.328 0.040 0.000 1.090 13 H CA 1.624 57.740 56.048 0.113 0.000 1.332 13 H CB -0.058 29.795 29.762 0.151 0.000 1.386 13 H HN 0.261 nan 8.280 nan 0.000 0.516 14 R N -0.583 119.985 120.500 0.114 0.000 2.189 14 R HA -0.041 4.288 4.340 -0.019 0.000 0.218 14 R C 1.685 177.991 176.300 0.010 0.000 1.074 14 R CA 1.506 57.640 56.100 0.057 0.000 0.991 14 R CB 0.148 30.475 30.300 0.044 0.000 0.883 14 R HN 0.291 nan 8.270 nan 0.000 0.457 15 T N 0.704 115.246 114.554 -0.020 0.000 2.901 15 T HA 0.071 4.409 4.350 -0.019 0.000 0.252 15 T C 1.738 176.372 174.700 -0.110 0.000 1.035 15 T CA 0.525 62.601 62.100 -0.041 0.000 1.142 15 T CB 0.161 69.014 68.868 -0.025 0.000 0.869 15 T HN 0.007 nan 8.240 nan 0.000 0.442 16 I N 1.739 122.189 120.570 -0.200 0.000 2.406 16 I HA -0.055 4.104 4.170 -0.019 0.000 0.249 16 I C 2.594 178.433 176.117 -0.463 0.000 1.122 16 I CA 1.211 62.261 61.300 -0.416 0.000 1.431 16 I CB -1.749 35.790 38.000 -0.769 0.000 1.087 16 I HN 0.227 nan 8.210 nan 0.000 0.424 17 T N 2.394 116.769 114.554 -0.298 0.000 2.635 17 T HA -0.109 4.229 4.350 -0.019 0.000 0.267 17 T C -0.281 174.328 174.700 -0.153 0.000 1.040 17 T CA 1.911 63.893 62.100 -0.196 0.000 1.156 17 T CB -1.275 67.614 68.868 0.034 0.000 0.863 17 T HN 0.208 nan 8.240 nan 0.000 0.430 18 P HA -0.020 nan 4.420 nan 0.000 0.216 18 P C 1.626 178.858 177.300 -0.114 0.000 1.150 18 P CA 0.549 63.601 63.100 -0.080 0.000 0.837 18 P CB -0.160 31.512 31.700 -0.047 0.000 0.786 19 L N -0.515 120.613 121.223 -0.159 0.000 1.989 19 L HA -0.166 4.162 4.340 -0.019 0.000 0.211 19 L C 2.215 178.931 176.870 -0.257 0.000 1.071 19 L CA 1.858 56.582 54.840 -0.194 0.000 0.749 19 L CB -1.231 40.697 42.059 -0.218 0.000 0.890 19 L HN -0.141 nan 8.230 nan 0.000 0.431 20 I N -0.589 119.799 120.570 -0.303 0.000 2.208 20 I HA -0.278 3.880 4.170 -0.019 0.000 0.245 20 I C 2.607 178.625 176.117 -0.166 0.000 1.097 20 I CA 1.373 62.510 61.300 -0.272 0.000 1.363 20 I CB -0.495 37.321 38.000 -0.306 0.000 1.051 20 I HN 0.423 nan 8.210 nan 0.000 0.413 21 E N 0.973 121.097 120.200 -0.127 0.000 2.007 21 E HA -0.257 4.082 4.350 -0.019 0.000 0.194 21 E C 2.179 178.737 176.600 -0.070 0.000 0.999 21 E CA 1.714 58.069 56.400 -0.074 0.000 0.811 21 E CB -0.224 29.445 29.700 -0.052 0.000 0.762 21 E HN 0.523 nan 8.360 nan 0.000 0.450 22 Q N -0.360 119.395 119.800 -0.075 0.000 2.152 22 Q HA -0.173 4.155 4.340 -0.019 0.000 0.206 22 Q C 1.968 177.935 176.000 -0.055 0.000 0.985 22 Q CA 1.469 57.239 55.803 -0.054 0.000 0.863 22 Q CB 0.034 28.744 28.738 -0.047 0.000 0.904 22 Q HN 0.236 nan 8.270 nan 0.000 0.422 23 Q N -0.131 119.608 119.800 -0.102 0.000 2.282 23 Q HA 0.096 4.424 4.340 -0.019 0.000 0.206 23 Q C -0.327 175.629 176.000 -0.073 0.000 0.878 23 Q CA 0.132 55.879 55.803 -0.093 0.000 0.944 23 Q CB 0.720 29.324 28.738 -0.223 0.000 1.100 23 Q HN 0.273 nan 8.270 nan 0.000 0.509 24 K N 0.970 121.324 120.400 -0.076 0.000 3.148 24 K HA -0.176 4.133 4.320 -0.019 0.000 0.267 24 K C -0.540 176.027 176.600 -0.054 0.000 0.996 24 K CA 0.229 56.484 56.287 -0.054 0.000 0.737 24 K CB -1.878 30.604 32.500 -0.030 0.000 1.308 24 K HN 0.262 nan 8.250 nan 0.000 0.470 25 I N 0.777 121.292 120.570 -0.092 0.000 2.471 25 I HA 0.020 4.178 4.170 -0.019 0.000 0.286 25 I C -0.952 175.165 176.117 -0.000 0.000 1.079 25 I CA -2.089 59.175 61.300 -0.060 0.000 1.398 25 I CB 0.859 38.763 38.000 -0.160 0.000 1.403 25 I HN 0.015 nan 8.210 nan 0.000 0.530 26 P HA -0.003 nan 4.420 nan 0.000 0.216 26 P C 0.308 177.708 177.300 0.166 0.000 1.153 26 P CA 0.507 63.621 63.100 0.023 0.000 0.844 26 P CB 0.302 31.917 31.700 -0.142 0.000 0.787 27 G N -1.189 107.747 108.800 0.226 0.000 2.746 27 G HA2 0.658 4.606 3.960 -0.019 0.000 0.297 27 G HA3 0.658 4.606 3.960 -0.019 0.000 0.297 27 G C -1.912 173.242 174.900 0.424 0.000 1.426 27 G CA -0.342 44.959 45.100 0.335 0.000 0.989 27 G HN 0.037 nan 8.290 nan 0.000 0.520 28 M N 1.554 121.434 119.600 0.467 0.000 2.470 28 M HA 0.756 5.225 4.480 -0.019 0.000 0.285 28 M C -1.322 175.294 176.300 0.527 0.000 1.213 28 M CA -0.569 54.979 55.300 0.414 0.000 0.901 28 M CB 2.324 35.044 32.600 0.200 0.000 1.718 28 M HN 0.993 nan 8.290 nan 0.000 0.469 29 A N 3.200 126.182 122.820 0.270 0.000 2.386 29 A HA 0.888 5.196 4.320 -0.019 0.000 0.311 29 A C -1.740 176.025 177.584 0.302 0.000 1.068 29 A CA -0.630 51.588 52.037 0.302 0.000 0.743 29 A CB 1.811 20.913 19.000 0.169 0.000 1.258 29 A HN 0.636 nan 8.150 nan 0.000 0.429 30 V N 0.788 120.980 119.914 0.464 0.000 2.709 30 V HA 0.776 4.885 4.120 -0.019 0.000 0.308 30 V C 0.061 176.440 176.094 0.475 0.000 1.062 30 V CA -0.261 62.302 62.300 0.438 0.000 0.901 30 V CB 1.858 33.975 31.823 0.491 0.000 1.003 30 V HN 1.421 nan 8.190 nan 0.000 0.425 31 A N 3.947 126.987 122.820 0.367 0.000 2.331 31 A HA 0.880 5.188 4.320 -0.019 0.000 0.320 31 A C -0.968 176.755 177.584 0.231 0.000 1.138 31 A CA -0.552 51.660 52.037 0.293 0.000 0.790 31 A CB 1.637 20.795 19.000 0.264 0.000 1.206 31 A HN 0.668 nan 8.150 nan 0.000 0.470 32 V N 3.307 123.368 119.914 0.246 0.000 2.435 32 V HA 0.367 4.475 4.120 -0.019 0.000 0.290 32 V C -0.646 175.549 176.094 0.169 0.000 1.030 32 V CA -0.250 62.178 62.300 0.214 0.000 0.881 32 V CB 1.305 33.286 31.823 0.264 0.000 0.983 32 V HN 0.710 nan 8.190 nan 0.000 0.445 33 I N 5.732 126.367 120.570 0.108 0.000 2.312 33 I HA 0.384 4.542 4.170 -0.019 0.000 0.290 33 I C -0.735 175.470 176.117 0.147 0.000 1.008 33 I CA -0.177 61.157 61.300 0.057 0.000 1.226 33 I CB 0.813 38.786 38.000 -0.045 0.000 1.371 33 I HN 0.607 nan 8.210 nan 0.000 0.468 34 Y N 5.268 125.617 120.300 0.082 0.000 2.346 34 Y HA 0.336 4.874 4.550 -0.019 0.000 0.332 34 Y C 0.184 176.129 175.900 0.074 0.000 0.985 34 Y CA -0.892 57.267 58.100 0.098 0.000 1.112 34 Y CB 1.231 39.794 38.460 0.173 0.000 1.170 34 Y HN 0.668 nan 8.280 nan 0.000 0.447 35 Q N 4.783 124.283 119.800 -0.499 0.000 2.416 35 Q HA -0.288 4.041 4.340 -0.019 0.000 0.319 35 Q C 1.134 177.043 176.000 -0.152 0.000 1.318 35 Q CA 1.382 56.974 55.803 -0.352 0.000 0.915 35 Q CB -1.465 27.035 28.738 -0.398 0.000 1.184 35 Q HN 1.350 nan 8.270 nan 0.000 0.444 36 G N -0.985 107.738 108.800 -0.128 0.000 2.268 36 G HA2 -0.319 3.630 3.960 -0.019 0.000 0.240 36 G HA3 -0.319 3.630 3.960 -0.019 0.000 0.240 36 G C 0.057 174.895 174.900 -0.103 0.000 1.010 36 G CA 0.323 45.357 45.100 -0.110 0.000 0.618 36 G HN 0.285 nan 8.290 nan 0.000 0.516 37 K N 1.981 122.330 120.400 -0.085 0.000 2.159 37 K HA 0.536 4.845 4.320 -0.019 0.000 0.266 37 K C -2.682 173.694 176.600 -0.374 0.000 0.975 37 K CA -1.800 54.362 56.287 -0.209 0.000 0.865 37 K CB 2.588 34.965 32.500 -0.204 0.000 1.087 37 K HN 0.129 nan 8.250 nan 0.000 0.446 38 P HA 0.219 nan 4.420 nan 0.000 0.292 38 P C -1.488 175.130 177.300 -1.136 0.000 1.283 38 P CA -0.451 62.261 63.100 -0.647 0.000 0.835 38 P CB 0.581 31.953 31.700 -0.546 0.000 1.017 39 Y N 1.215 121.212 120.300 -0.506 0.000 2.361 39 Y HA 0.446 4.984 4.550 -0.020 0.000 0.337 39 Y C -0.080 175.438 175.900 -0.635 0.000 0.965 39 Y CA -0.585 57.212 58.100 -0.504 0.000 1.091 39 Y CB 1.681 40.065 38.460 -0.127 0.000 1.182 39 Y HN 0.279 nan 8.280 nan 0.000 0.450 40 Y N 2.530 122.642 120.300 -0.314 0.000 2.446 40 Y HA 0.694 5.233 4.550 -0.019 0.000 0.338 40 Y C -0.929 174.476 175.900 -0.825 0.000 1.055 40 Y CA -1.737 56.178 58.100 -0.308 0.000 1.101 40 Y CB 1.280 39.633 38.460 -0.178 0.000 1.221 40 Y HN 0.384 nan 8.280 nan 0.000 0.460 41 F N 0.022 120.025 119.950 0.089 0.000 2.581 41 F HA 0.648 5.163 4.527 -0.020 0.000 0.311 41 F C -0.303 175.282 175.800 -0.359 0.000 1.113 41 F CA -0.946 56.888 58.000 -0.277 0.000 0.935 41 F CB 2.450 41.212 39.000 -0.398 0.000 1.232 41 F HN 0.413 nan 8.300 nan 0.000 0.445 42 T N -1.387 112.880 114.554 -0.479 0.000 2.900 42 T HA 0.671 5.009 4.350 -0.019 0.000 0.303 42 T C -1.673 172.799 174.700 -0.380 0.000 1.142 42 T CA -0.742 61.243 62.100 -0.192 0.000 1.007 42 T CB 1.831 70.702 68.868 0.005 0.000 1.156 42 T HN 0.610 nan 8.240 nan 0.000 0.490 43 W N 0.492 121.873 121.300 0.134 0.000 3.127 43 W HA 0.510 5.158 4.660 -0.020 0.000 0.330 43 W C 0.803 177.348 176.519 0.043 0.000 1.187 43 W CA -0.218 57.181 57.345 0.089 0.000 1.198 43 W CB 1.741 31.260 29.460 0.099 0.000 1.408 43 W HN 1.407 nan 8.180 nan 0.000 0.529 44 G N 1.412 110.310 108.800 0.162 0.000 2.552 44 G HA2 -0.311 3.638 3.960 -0.019 0.000 0.265 44 G HA3 -0.311 3.638 3.960 -0.019 0.000 0.265 44 G C -1.730 173.029 174.900 -0.235 0.000 1.234 44 G CA -0.162 44.954 45.100 0.026 0.000 0.944 44 G HN 0.499 nan 8.290 nan 0.000 0.568 45 Y N 0.438 120.829 120.300 0.152 0.000 2.341 45 Y HA 0.603 5.143 4.550 -0.017 0.000 0.338 45 Y C 1.334 177.333 175.900 0.165 0.000 0.965 45 Y CA 0.191 58.366 58.100 0.126 0.000 1.108 45 Y CB 1.920 40.415 38.460 0.058 0.000 1.180 45 Y HN 0.844 nan 8.280 nan 0.000 0.458 46 A N 1.364 124.341 122.820 0.263 0.000 1.970 46 A HA -0.044 4.264 4.320 -0.019 0.000 0.216 46 A C 0.274 178.073 177.584 0.357 0.000 1.170 46 A CA 1.553 53.724 52.037 0.223 0.000 0.645 46 A CB 0.030 19.099 19.000 0.115 0.000 0.816 46 A HN 0.640 nan 8.150 nan 0.000 0.447 47 D N -1.330 119.308 120.400 0.397 0.000 2.479 47 D HA 0.393 5.021 4.640 -0.019 0.000 0.246 47 D C 0.561 177.032 176.300 0.285 0.000 1.336 47 D CA -0.468 53.788 54.000 0.428 0.000 0.967 47 D CB 0.694 41.737 40.800 0.406 0.000 1.275 47 D HN 0.121 nan 8.370 nan 0.000 0.577 48 I N 2.243 122.923 120.570 0.183 0.000 2.163 48 I HA -0.191 3.967 4.170 -0.019 0.000 0.240 48 I C 2.475 178.519 176.117 -0.122 0.000 1.081 48 I CA 1.228 62.457 61.300 -0.119 0.000 1.353 48 I CB -0.122 37.703 38.000 -0.292 0.000 1.054 48 I HN 0.465 nan 8.210 nan 0.000 0.407 49 A N 0.711 123.502 122.820 -0.048 0.000 1.940 49 A HA -0.209 4.100 4.320 -0.019 0.000 0.219 49 A C 2.144 179.712 177.584 -0.027 0.000 1.176 49 A CA 1.666 53.665 52.037 -0.063 0.000 0.631 49 A CB -0.412 18.539 19.000 -0.082 0.000 0.814 49 A HN 0.377 nan 8.150 nan 0.000 0.446 50 K N -0.862 119.558 120.400 0.033 0.000 2.417 50 K HA 0.131 4.439 4.320 -0.019 0.000 0.196 50 K C -0.423 176.235 176.600 0.096 0.000 1.023 50 K CA 0.115 56.441 56.287 0.066 0.000 1.122 50 K CB 0.179 32.742 32.500 0.106 0.000 0.850 50 K HN 0.446 nan 8.250 nan 0.000 0.521 51 K N 1.535 121.985 120.400 0.083 0.000 3.035 51 K HA -0.178 4.130 4.320 -0.019 0.000 0.262 51 K C -0.713 176.114 176.600 0.378 0.000 1.024 51 K CA 0.574 56.967 56.287 0.177 0.000 0.748 51 K CB -1.025 31.542 32.500 0.111 0.000 1.247 51 K HN 0.187 nan 8.250 nan 0.000 0.482 52 Q N 0.491 120.504 119.800 0.355 0.000 2.296 52 Q HA 0.249 4.578 4.340 -0.019 0.000 0.257 52 Q C -2.153 173.977 176.000 0.217 0.000 0.942 52 Q CA -1.933 54.019 55.803 0.248 0.000 0.939 52 Q CB 1.146 30.002 28.738 0.198 0.000 1.198 52 Q HN 0.115 nan 8.270 nan 0.000 0.429 53 P HA 0.122 nan 4.420 nan 0.000 0.276 53 P C -0.191 177.103 177.300 -0.010 0.000 1.244 53 P CA -0.461 62.550 63.100 -0.147 0.000 0.801 53 P CB 0.905 32.509 31.700 -0.159 0.000 1.006 54 V N 2.139 122.062 119.914 0.016 0.000 2.585 54 V HA 0.187 4.295 4.120 -0.019 0.000 0.296 54 V C 1.298 177.445 176.094 0.088 0.000 1.035 54 V CA 0.763 63.144 62.300 0.135 0.000 1.084 54 V CB -0.055 31.949 31.823 0.302 0.000 0.953 54 V HN 0.867 nan 8.190 nan 0.000 0.483 55 T N 1.470 116.081 114.554 0.095 0.000 2.773 55 T HA 0.362 4.700 4.350 -0.019 0.000 0.278 55 T C 0.505 175.235 174.700 0.051 0.000 1.011 55 T CA -0.719 61.403 62.100 0.038 0.000 1.014 55 T CB 1.634 70.502 68.868 0.000 0.000 1.293 55 T HN 0.434 nan 8.240 nan 0.000 0.554 56 Q N -0.430 119.342 119.800 -0.046 0.000 2.436 56 Q HA -0.015 4.313 4.340 -0.019 0.000 0.209 56 Q C 1.456 177.386 176.000 -0.117 0.000 0.965 56 Q CA 1.015 56.736 55.803 -0.138 0.000 0.910 56 Q CB -0.095 28.448 28.738 -0.325 0.000 0.980 56 Q HN 0.564 nan 8.270 nan 0.000 0.491 57 Q N -0.724 119.033 119.800 -0.072 0.000 2.319 57 Q HA 0.088 4.417 4.340 -0.019 0.000 0.202 57 Q C -0.119 175.887 176.000 0.011 0.000 0.896 57 Q CA 0.263 56.015 55.803 -0.085 0.000 0.942 57 Q CB 0.936 29.604 28.738 -0.117 0.000 1.083 57 Q HN 0.059 nan 8.270 nan 0.000 0.510 58 T N 1.166 115.770 114.554 0.082 0.000 2.916 58 T HA 0.235 4.574 4.350 -0.019 0.000 0.303 58 T C -0.050 174.720 174.700 0.118 0.000 1.025 58 T CA -0.019 62.124 62.100 0.072 0.000 1.142 58 T CB 0.321 69.222 68.868 0.054 0.000 0.947 58 T HN 0.126 nan 8.240 nan 0.000 0.544 59 L N 3.794 125.042 121.223 0.042 0.000 2.292 59 L HA 0.528 4.857 4.340 -0.019 0.000 0.284 59 L C -0.533 176.338 176.870 0.002 0.000 1.065 59 L CA -0.555 54.336 54.840 0.085 0.000 0.806 59 L CB 0.485 42.544 42.059 -0.000 0.000 1.175 59 L HN 0.533 nan 8.230 nan 0.000 0.431 60 F N 0.486 120.502 119.950 0.110 0.000 2.522 60 F HA 0.362 4.878 4.527 -0.017 0.000 0.324 60 F C 0.410 176.016 175.800 -0.323 0.000 1.077 60 F CA -0.856 57.166 58.000 0.038 0.000 0.944 60 F CB 1.494 40.647 39.000 0.255 0.000 1.175 60 F HN 0.399 nan 8.300 nan 0.000 0.468 61 E N 2.931 122.631 120.200 -0.833 0.000 2.324 61 E HA 0.142 4.481 4.350 -0.019 0.000 0.271 61 E C 0.507 177.047 176.600 -0.101 0.000 1.028 61 E CA -0.038 56.061 56.400 -0.501 0.000 0.890 61 E CB 0.864 30.150 29.700 -0.690 0.000 1.004 61 E HN 0.633 nan 8.360 nan 0.000 0.431 62 L N 2.844 124.081 121.223 0.023 0.000 2.418 62 L HA 0.044 4.373 4.340 -0.019 0.000 0.218 62 L C 1.525 178.494 176.870 0.166 0.000 1.125 62 L CA 0.535 55.452 54.840 0.128 0.000 0.835 62 L CB -0.813 41.325 42.059 0.131 0.000 0.953 62 L HN 0.929 nan 8.230 nan 0.000 0.454 63 G N 0.790 109.690 108.800 0.167 0.000 2.651 63 G HA2 -0.490 3.459 3.960 -0.019 0.000 0.315 63 G HA3 -0.490 3.459 3.960 -0.019 0.000 0.315 63 G C 0.971 176.018 174.900 0.246 0.000 1.258 63 G CA 0.750 45.982 45.100 0.220 0.000 1.002 63 G HN 0.331 nan 8.290 nan 0.000 0.551 64 S N -0.352 115.488 115.700 0.234 0.000 2.555 64 S HA 0.160 4.618 4.470 -0.019 0.000 0.230 64 S C 2.369 177.086 174.600 0.196 0.000 0.978 64 S CA 1.680 60.038 58.200 0.263 0.000 0.934 64 S CB -0.172 63.186 63.200 0.264 0.000 0.766 64 S HN 1.046 nan 8.310 nan 0.000 0.533 65 V N 1.803 121.815 119.914 0.163 0.000 2.759 65 V HA -0.098 4.011 4.120 -0.019 0.000 0.256 65 V C 2.505 178.699 176.094 0.167 0.000 1.080 65 V CA 1.777 64.149 62.300 0.119 0.000 1.101 65 V CB -0.991 30.926 31.823 0.156 0.000 0.698 65 V HN 0.534 nan 8.190 nan 0.000 0.477 66 S N 0.012 115.851 115.700 0.232 0.000 2.402 66 S HA -0.280 4.178 4.470 -0.019 0.000 0.233 66 S C 1.924 176.689 174.600 0.275 0.000 1.030 66 S CA 1.562 59.940 58.200 0.297 0.000 1.003 66 S CB -0.313 63.002 63.200 0.190 0.000 0.813 66 S HN 0.648 nan 8.310 nan 0.000 0.477 67 K N 0.832 121.347 120.400 0.191 0.000 2.209 67 K HA -0.106 4.202 4.320 -0.019 0.000 0.204 67 K C 2.482 179.112 176.600 0.050 0.000 1.048 67 K CA 1.573 57.957 56.287 0.162 0.000 0.940 67 K CB -0.508 32.120 32.500 0.212 0.000 0.729 67 K HN 0.647 nan 8.250 nan 0.000 0.451 68 T N -0.965 113.504 114.554 -0.142 0.000 2.821 68 T HA -0.130 4.208 4.350 -0.019 0.000 0.267 68 T C 1.757 176.438 174.700 -0.031 0.000 1.046 68 T CA 0.923 62.755 62.100 -0.446 0.000 1.139 68 T CB -0.423 67.766 68.868 -1.132 0.000 0.871 68 T HN 0.024 nan 8.240 nan 0.000 0.454 69 F N 2.234 122.228 119.950 0.073 0.000 2.102 69 F HA 0.011 4.526 4.527 -0.019 0.000 0.298 69 F C 3.070 178.930 175.800 0.100 0.000 1.105 69 F CA 1.486 59.488 58.000 0.003 0.000 1.239 69 F CB -1.311 37.575 39.000 -0.190 0.000 0.991 69 F HN 0.133 nan 8.300 nan 0.000 0.474 70 T N -0.416 114.340 114.554 0.337 0.000 2.720 70 T HA -0.175 4.163 4.350 -0.019 0.000 0.268 70 T C 2.357 177.254 174.700 0.329 0.000 1.037 70 T CA 1.502 63.818 62.100 0.359 0.000 1.144 70 T CB -1.119 67.958 68.868 0.348 0.000 0.864 70 T HN 0.456 nan 8.240 nan 0.000 0.444 71 G N 0.874 109.831 108.800 0.263 0.000 2.421 71 G HA2 -0.173 3.776 3.960 -0.019 0.000 0.216 71 G HA3 -0.173 3.776 3.960 -0.019 0.000 0.216 71 G C 1.705 176.767 174.900 0.270 0.000 1.171 71 G CA 0.868 46.116 45.100 0.247 0.000 0.775 71 G HN 0.444 nan 8.290 nan 0.000 0.543 72 V N 0.562 120.644 119.914 0.280 0.000 2.427 72 V HA -0.091 4.018 4.120 -0.019 0.000 0.248 72 V C 2.665 178.884 176.094 0.207 0.000 1.051 72 V CA 1.488 63.962 62.300 0.291 0.000 1.048 72 V CB -0.306 31.789 31.823 0.455 0.000 0.666 72 V HN 0.342 nan 8.190 nan 0.000 0.456 73 L N 1.277 122.598 121.223 0.163 0.000 2.083 73 L HA -0.022 4.306 4.340 -0.019 0.000 0.209 73 L C 2.306 179.192 176.870 0.026 0.000 1.083 73 L CA 2.371 57.226 54.840 0.025 0.000 0.752 73 L CB -1.187 40.801 42.059 -0.118 0.000 0.899 73 L HN 0.267 nan 8.230 nan 0.000 0.433 74 G N -1.139 107.736 108.800 0.126 0.000 2.421 74 G HA2 -0.198 3.750 3.960 -0.019 0.000 0.216 74 G HA3 -0.198 3.750 3.960 -0.019 0.000 0.216 74 G C 1.533 176.541 174.900 0.180 0.000 1.171 74 G CA 0.538 45.726 45.100 0.146 0.000 0.775 74 G HN 0.576 nan 8.290 nan 0.000 0.543 75 G N 0.668 109.590 108.800 0.204 0.000 2.440 75 G HA2 -0.261 3.688 3.960 -0.019 0.000 0.218 75 G HA3 -0.261 3.688 3.960 -0.019 0.000 0.218 75 G C 1.453 176.413 174.900 0.100 0.000 1.154 75 G CA 1.434 46.630 45.100 0.160 0.000 0.767 75 G HN 0.523 nan 8.290 nan 0.000 0.552 76 D N 0.457 120.903 120.400 0.076 0.000 2.144 76 D HA 0.054 4.682 4.640 -0.019 0.000 0.199 76 D C 2.651 178.954 176.300 0.005 0.000 0.984 76 D CA 1.412 55.433 54.000 0.035 0.000 0.834 76 D CB -0.267 40.545 40.800 0.019 0.000 0.955 76 D HN 0.245 nan 8.370 nan 0.000 0.465 77 A N 0.087 122.897 122.820 -0.017 0.000 1.933 77 A HA -0.100 4.209 4.320 -0.019 0.000 0.218 77 A C 2.313 179.888 177.584 -0.015 0.000 1.175 77 A CA 1.115 53.123 52.037 -0.048 0.000 0.628 77 A CB -0.762 18.170 19.000 -0.114 0.000 0.814 77 A HN 0.392 nan 8.150 nan 0.000 0.444 78 I N -0.177 120.407 120.570 0.024 0.000 2.142 78 I HA -0.289 3.869 4.170 -0.019 0.000 0.240 78 I C 2.988 179.130 176.117 0.041 0.000 1.078 78 I CA 1.169 62.499 61.300 0.049 0.000 1.343 78 I CB -0.443 37.610 38.000 0.088 0.000 1.046 78 I HN 0.337 nan 8.210 nan 0.000 0.405 79 A N 0.769 123.614 122.820 0.041 0.000 1.940 79 A HA -0.220 4.088 4.320 -0.019 0.000 0.219 79 A C 2.327 179.922 177.584 0.018 0.000 1.176 79 A CA 1.598 53.654 52.037 0.031 0.000 0.631 79 A CB -0.661 18.358 19.000 0.032 0.000 0.814 79 A HN 0.360 nan 8.150 nan 0.000 0.446 80 R N -1.470 119.036 120.500 0.009 0.000 2.316 80 R HA 0.093 4.422 4.340 -0.019 0.000 0.202 80 R C 1.413 177.717 176.300 0.007 0.000 1.029 80 R CA 0.553 56.654 56.100 0.001 0.000 1.018 80 R CB -0.301 29.990 30.300 -0.014 0.000 0.888 80 R HN 0.739 nan 8.270 nan 0.000 0.471 81 G N 0.926 109.736 108.800 0.017 0.000 2.155 81 G HA2 -0.331 3.617 3.960 -0.019 0.000 0.257 81 G HA3 -0.331 3.617 3.960 -0.019 0.000 0.257 81 G C 0.541 175.460 174.900 0.032 0.000 0.983 81 G CA 0.683 45.800 45.100 0.027 0.000 0.676 81 G HN 0.457 nan 8.290 nan 0.000 0.528 82 E N -0.588 119.620 120.200 0.015 0.000 2.112 82 E HA 0.206 4.545 4.350 -0.019 0.000 0.190 82 E C 1.567 178.189 176.600 0.037 0.000 0.979 82 E CA 1.197 57.605 56.400 0.013 0.000 0.814 82 E CB 0.110 29.790 29.700 -0.034 0.000 0.762 82 E HN 0.915 nan 8.360 nan 0.000 0.460 83 I N -2.876 117.698 120.570 0.006 0.000 3.174 83 I HA 0.484 4.643 4.170 -0.019 0.000 0.313 83 I C -1.255 174.909 176.117 0.080 0.000 1.155 83 I CA -1.233 60.080 61.300 0.021 0.000 0.977 83 I CB 2.278 40.139 38.000 -0.231 0.000 1.248 83 I HN -0.364 nan 8.210 nan 0.000 0.453 84 K N 2.474 122.956 120.400 0.138 0.000 2.371 84 K HA 0.497 4.805 4.320 -0.019 0.000 0.251 84 K C 0.128 176.810 176.600 0.137 0.000 0.934 84 K CA -0.781 55.580 56.287 0.124 0.000 0.798 84 K CB 2.862 35.435 32.500 0.121 0.000 1.204 84 K HN 0.627 nan 8.250 nan 0.000 0.427 85 L N 1.041 122.330 121.223 0.110 0.000 2.265 85 L HA -0.183 4.145 4.340 -0.019 0.000 0.215 85 L C 2.020 178.928 176.870 0.063 0.000 1.117 85 L CA 1.373 56.262 54.840 0.082 0.000 0.782 85 L CB -0.308 41.755 42.059 0.006 0.000 0.914 85 L HN 0.701 nan 8.230 nan 0.000 0.441 86 S N -2.656 113.089 115.700 0.076 0.000 2.562 86 S HA -0.010 4.449 4.470 -0.019 0.000 0.221 86 S C 0.586 175.251 174.600 0.108 0.000 0.975 86 S CA -0.283 57.958 58.200 0.070 0.000 0.918 86 S CB -0.378 62.860 63.200 0.064 0.000 0.772 86 S HN 0.222 nan 8.310 nan 0.000 0.531 87 D N 4.178 124.671 120.400 0.155 0.000 2.424 87 D HA 0.278 4.907 4.640 -0.019 0.000 0.244 87 D C -2.547 173.878 176.300 0.208 0.000 1.134 87 D CA -1.461 52.657 54.000 0.197 0.000 0.881 87 D CB 0.607 41.622 40.800 0.359 0.000 1.191 87 D HN 0.178 nan 8.370 nan 0.000 0.445 88 P HA 0.013 nan 4.420 nan 0.000 0.266 88 P C 0.822 178.262 177.300 0.234 0.000 1.195 88 P CA -0.054 63.161 63.100 0.192 0.000 0.768 88 P CB 0.530 32.310 31.700 0.133 0.000 0.838 89 T N 0.807 115.533 114.554 0.286 0.000 2.737 89 T HA -0.172 4.167 4.350 -0.019 0.000 0.269 89 T C 1.637 176.452 174.700 0.192 0.000 1.040 89 T CA 2.416 64.683 62.100 0.278 0.000 1.142 89 T CB -1.018 68.032 68.868 0.304 0.000 0.861 89 T HN 0.629 nan 8.240 nan 0.000 0.456 90 T N 0.378 115.008 114.554 0.126 0.000 3.007 90 T HA -0.008 4.330 4.350 -0.019 0.000 0.270 90 T C 1.758 176.456 174.700 -0.004 0.000 1.107 90 T CA 1.060 63.187 62.100 0.045 0.000 1.118 90 T CB -0.239 68.650 68.868 0.035 0.000 0.889 90 T HN 0.394 nan 8.240 nan 0.000 0.506 91 K N 0.398 120.755 120.400 -0.073 0.000 2.103 91 K HA -0.147 4.162 4.320 -0.019 0.000 0.207 91 K C 1.246 177.533 176.600 -0.523 0.000 1.048 91 K CA 1.509 57.594 56.287 -0.336 0.000 0.930 91 K CB -0.241 31.948 32.500 -0.518 0.000 0.716 91 K HN 0.580 nan 8.250 nan 0.000 0.444 92 Y N -2.780 117.554 120.300 0.055 0.000 2.449 92 Y HA 0.111 4.650 4.550 -0.019 0.000 0.254 92 Y C 0.156 176.106 175.900 0.083 0.000 1.140 92 Y CA -0.602 57.514 58.100 0.028 0.000 1.272 92 Y CB 0.651 39.095 38.460 -0.026 0.000 1.114 92 Y HN 0.115 nan 8.280 nan 0.000 0.525 93 W N 2.794 124.078 121.300 -0.026 0.000 2.162 93 W HA 0.393 5.041 4.660 -0.020 0.000 0.292 93 W C -2.583 173.872 176.519 -0.107 0.000 0.998 93 W CA -3.530 53.763 57.345 -0.086 0.000 1.570 93 W CB 1.045 30.407 29.460 -0.165 0.000 1.644 93 W HN -0.135 nan 8.180 nan 0.000 0.360 94 P HA -0.125 nan 4.420 nan 0.000 0.226 94 P C 0.971 178.230 177.300 -0.069 0.000 1.153 94 P CA 1.478 64.583 63.100 0.009 0.000 0.777 94 P CB 0.528 32.238 31.700 0.017 0.000 0.794 95 E N -0.651 119.487 120.200 -0.102 0.000 2.409 95 E HA -0.055 4.283 4.350 -0.019 0.000 0.198 95 E C 0.639 176.975 176.600 -0.440 0.000 1.024 95 E CA 0.295 56.561 56.400 -0.223 0.000 0.861 95 E CB -0.766 28.849 29.700 -0.142 0.000 0.788 95 E HN 0.125 nan 8.360 nan 0.000 0.521 96 L N 1.755 122.602 121.223 -0.626 0.000 2.384 96 L HA 0.094 4.422 4.340 -0.019 0.000 0.258 96 L C 0.899 177.577 176.870 -0.321 0.000 1.266 96 L CA 0.403 54.825 54.840 -0.696 0.000 1.162 96 L CB -0.407 41.050 42.059 -1.003 0.000 1.375 96 L HN 0.062 nan 8.230 nan 0.000 0.420 97 T N -0.930 113.512 114.554 -0.187 0.000 3.065 97 T HA 0.305 4.643 4.350 -0.019 0.000 0.252 97 T C 0.942 175.659 174.700 0.028 0.000 1.099 97 T CA 0.243 62.308 62.100 -0.058 0.000 1.063 97 T CB -0.022 68.814 68.868 -0.053 0.000 0.948 97 T HN 0.497 nan 8.240 nan 0.000 0.506 98 A N 1.714 124.579 122.820 0.075 0.000 2.540 98 A HA 0.281 4.590 4.320 -0.019 0.000 0.239 98 A C 1.302 179.004 177.584 0.196 0.000 1.061 98 A CA -0.259 51.866 52.037 0.147 0.000 0.758 98 A CB 0.196 19.316 19.000 0.201 0.000 0.991 98 A HN 0.454 nan 8.150 nan 0.000 0.502 99 K N 0.833 121.288 120.400 0.092 0.000 2.362 99 K HA -0.133 4.176 4.320 -0.019 0.000 0.200 99 K C 1.986 178.610 176.600 0.039 0.000 1.046 99 K CA 1.161 57.487 56.287 0.065 0.000 0.952 99 K CB 0.082 32.594 32.500 0.020 0.000 0.753 99 K HN 0.911 nan 8.250 nan 0.000 0.466 100 Q N -0.098 119.686 119.800 -0.025 0.000 2.364 100 Q HA -0.186 4.143 4.340 -0.019 0.000 0.209 100 Q C 0.948 176.826 176.000 -0.203 0.000 0.977 100 Q CA 1.275 56.961 55.803 -0.195 0.000 0.885 100 Q CB -0.381 28.108 28.738 -0.415 0.000 0.941 100 Q HN 0.461 nan 8.270 nan 0.000 0.464 101 W N 2.041 123.377 121.300 0.059 0.000 2.905 101 W HA 0.174 4.822 4.660 -0.020 0.000 0.251 101 W C 0.132 176.709 176.519 0.096 0.000 1.305 101 W CA -0.434 56.977 57.345 0.111 0.000 1.465 101 W CB 0.030 29.544 29.460 0.090 0.000 1.122 101 W HN 0.089 nan 8.180 nan 0.000 0.659 102 N N 0.623 119.451 118.700 0.212 0.000 2.447 102 N HA 0.243 4.971 4.740 -0.019 0.000 0.263 102 N C 1.096 176.690 175.510 0.141 0.000 1.226 102 N CA 0.864 54.009 53.050 0.157 0.000 0.906 102 N CB 0.416 38.962 38.487 0.098 0.000 1.060 102 N HN 0.185 nan 8.380 nan 0.000 0.468 103 G N 2.234 111.140 108.800 0.175 0.000 2.195 103 G HA2 -0.276 3.673 3.960 -0.019 0.000 0.246 103 G HA3 -0.276 3.673 3.960 -0.019 0.000 0.246 103 G C 0.150 175.217 174.900 0.278 0.000 0.984 103 G CA -0.452 44.762 45.100 0.190 0.000 0.633 103 G HN 0.544 nan 8.290 nan 0.000 0.525 104 I N 3.089 123.842 120.570 0.304 0.000 2.322 104 I HA 0.378 4.537 4.170 -0.019 0.000 0.292 104 I C 1.216 177.627 176.117 0.490 0.000 1.060 104 I CA 0.221 61.780 61.300 0.432 0.000 1.309 104 I CB 0.966 39.175 38.000 0.349 0.000 1.415 104 I HN 0.309 nan 8.210 nan 0.000 0.492 105 T N 2.988 117.862 114.554 0.534 0.000 2.936 105 T HA 0.447 4.785 4.350 -0.019 0.000 0.282 105 T C 1.237 176.075 174.700 0.229 0.000 1.003 105 T CA -0.873 61.383 62.100 0.261 0.000 1.005 105 T CB 1.494 70.392 68.868 0.050 0.000 1.097 105 T HN 0.419 nan 8.240 nan 0.000 0.532 106 L N 0.341 121.691 121.223 0.212 0.000 2.079 106 L HA -0.040 4.288 4.340 -0.019 0.000 0.210 106 L C 2.567 179.474 176.870 0.062 0.000 1.081 106 L CA 0.937 55.926 54.840 0.248 0.000 0.752 106 L CB -0.815 41.434 42.059 0.316 0.000 0.896 106 L HN 0.608 nan 8.230 nan 0.000 0.433 107 L N -0.260 120.929 121.223 -0.057 0.000 2.013 107 L HA -0.279 4.050 4.340 -0.019 0.000 0.212 107 L C 2.410 179.225 176.870 -0.091 0.000 1.073 107 L CA 2.010 56.737 54.840 -0.188 0.000 0.753 107 L CB -0.624 41.327 42.059 -0.179 0.000 0.890 107 L HN 0.239 nan 8.230 nan 0.000 0.432 108 H N -1.120 118.021 119.070 0.118 0.000 2.321 108 H HA -0.148 4.397 4.556 -0.019 0.000 0.300 108 H C 2.242 177.573 175.328 0.004 0.000 1.087 108 H CA 1.731 57.836 56.048 0.096 0.000 1.319 108 H CB -0.187 29.657 29.762 0.137 0.000 1.379 108 H HN 0.318 nan 8.280 nan 0.000 0.501 109 L N 0.147 121.463 121.223 0.156 0.000 2.012 109 L HA -0.198 4.131 4.340 -0.019 0.000 0.210 109 L C 2.833 179.621 176.870 -0.136 0.000 1.073 109 L CA 0.921 55.813 54.840 0.088 0.000 0.748 109 L CB -0.555 41.631 42.059 0.212 0.000 0.891 109 L HN 0.359 nan 8.230 nan 0.000 0.431 110 A N -0.226 122.341 122.820 -0.422 0.000 2.019 110 A HA -0.162 4.146 4.320 -0.019 0.000 0.219 110 A C 2.096 179.260 177.584 -0.699 0.000 1.164 110 A CA 2.061 53.592 52.037 -0.844 0.000 0.644 110 A CB -0.673 17.415 19.000 -1.521 0.000 0.805 110 A HN 0.534 nan 8.150 nan 0.000 0.449 111 T N -6.422 107.833 114.554 -0.498 0.000 3.129 111 T HA 0.324 4.662 4.350 -0.019 0.000 0.267 111 T C 0.193 174.676 174.700 -0.362 0.000 1.018 111 T CA 0.172 62.014 62.100 -0.431 0.000 0.903 111 T CB -0.539 68.361 68.868 0.054 0.000 1.067 111 T HN 0.650 nan 8.240 nan 0.000 0.549 112 Y N 1.068 121.357 120.300 -0.018 0.000 4.177 112 Y HA -0.253 4.285 4.550 -0.019 0.000 0.227 112 Y C 1.203 177.075 175.900 -0.045 0.000 1.154 112 Y CA 0.546 58.638 58.100 -0.014 0.000 1.887 112 Y CB -3.152 35.322 38.460 0.024 0.000 1.594 112 Y HN 0.610 nan 8.280 nan 0.000 0.668 113 T N -4.556 109.990 114.554 -0.013 0.000 3.215 113 T HA 0.677 5.016 4.350 -0.019 0.000 0.271 113 T C 1.468 176.138 174.700 -0.049 0.000 1.012 113 T CA 0.168 62.181 62.100 -0.144 0.000 0.899 113 T CB 0.565 69.069 68.868 -0.608 0.000 1.089 113 T HN 0.494 nan 8.240 nan 0.000 0.552 114 A N 1.367 124.221 122.820 0.058 0.000 2.121 114 A HA 0.550 4.858 4.320 -0.019 0.000 0.218 114 A C 1.881 179.537 177.584 0.119 0.000 1.154 114 A CA 0.662 52.723 52.037 0.041 0.000 0.679 114 A CB -0.834 18.179 19.000 0.023 0.000 0.795 114 A HN 1.492 nan 8.150 nan 0.000 0.458 115 G N -3.066 105.877 108.800 0.240 0.000 2.247 115 G HA2 0.409 4.358 3.960 -0.019 0.000 0.111 115 G HA3 0.409 4.358 3.960 -0.019 0.000 0.111 115 G C 0.961 176.009 174.900 0.246 0.000 1.045 115 G CA 0.316 45.624 45.100 0.347 0.000 0.715 115 G HN 1.995 nan 8.290 nan 0.000 0.485 116 G N -0.826 108.135 108.800 0.268 0.000 2.167 116 G HA2 -0.088 3.860 3.960 -0.019 0.000 0.194 116 G HA3 -0.088 3.860 3.960 -0.019 0.000 0.194 116 G C 0.433 175.454 174.900 0.203 0.000 1.027 116 G CA -0.016 45.066 45.100 -0.030 0.000 0.717 116 G HN 1.273 nan 8.290 nan 0.000 0.501 117 L N 1.347 122.577 121.223 0.012 0.000 2.514 117 L HA 0.228 4.556 4.340 -0.019 0.000 0.280 117 L C -1.013 175.816 176.870 -0.069 0.000 1.223 117 L CA -1.230 53.383 54.840 -0.379 0.000 0.864 117 L CB 0.366 42.159 42.059 -0.443 0.000 1.118 117 L HN 0.081 nan 8.230 nan 0.000 0.494 118 P HA -0.021 nan 4.420 nan 0.000 0.272 118 P C 0.485 177.811 177.300 0.045 0.000 1.223 118 P CA -0.513 62.628 63.100 0.069 0.000 0.784 118 P CB 0.830 32.618 31.700 0.146 0.000 0.923 119 L N 1.344 122.587 121.223 0.034 0.000 2.013 119 L HA -0.163 4.165 4.340 -0.019 0.000 0.212 119 L C 0.695 177.561 176.870 -0.006 0.000 1.073 119 L CA 2.188 57.025 54.840 -0.005 0.000 0.753 119 L CB -0.864 41.216 42.059 0.036 0.000 0.890 119 L HN 0.435 nan 8.230 nan 0.000 0.432 120 Q N -1.278 118.530 119.800 0.015 0.000 2.365 120 Q HA 0.501 4.830 4.340 -0.019 0.000 0.269 120 Q C -0.935 175.036 176.000 -0.050 0.000 1.061 120 Q CA -0.775 55.023 55.803 -0.009 0.000 0.816 120 Q CB 2.537 31.260 28.738 -0.024 0.000 1.325 120 Q HN -0.060 nan 8.270 nan 0.000 0.446 121 V N 3.775 123.619 119.914 -0.118 0.000 2.555 121 V HA 0.190 4.299 4.120 -0.019 0.000 0.286 121 V C -2.056 173.835 176.094 -0.339 0.000 1.044 121 V CA -1.368 60.687 62.300 -0.409 0.000 1.026 121 V CB 0.444 32.071 31.823 -0.326 0.000 0.981 121 V HN 0.670 nan 8.190 nan 0.000 0.480 122 P HA 0.058 nan 4.420 nan 0.000 0.269 122 P C 0.761 177.962 177.300 -0.166 0.000 1.209 122 P CA -0.084 62.884 63.100 -0.219 0.000 0.776 122 P CB 0.522 32.113 31.700 -0.182 0.000 0.876 123 D N 1.712 122.061 120.400 -0.085 0.000 2.182 123 D HA -0.189 4.439 4.640 -0.019 0.000 0.201 123 D C 1.463 177.734 176.300 -0.048 0.000 0.986 123 D CA 1.210 55.180 54.000 -0.050 0.000 0.847 123 D CB 0.186 40.973 40.800 -0.022 0.000 0.942 123 D HN 0.648 nan 8.370 nan 0.000 0.467 124 E N 0.450 120.619 120.200 -0.052 0.000 2.338 124 E HA -0.073 4.265 4.350 -0.019 0.000 0.197 124 E C 0.621 177.196 176.600 -0.042 0.000 1.007 124 E CA 0.318 56.698 56.400 -0.034 0.000 0.849 124 E CB 0.112 29.800 29.700 -0.019 0.000 0.774 124 E HN -0.026 nan 8.360 nan 0.000 0.506 125 V N 1.943 121.803 119.914 -0.090 0.000 2.427 125 V HA 0.076 4.184 4.120 -0.019 0.000 0.268 125 V C 0.337 176.397 176.094 -0.056 0.000 1.046 125 V CA 0.089 62.333 62.300 -0.093 0.000 0.970 125 V CB 1.052 32.736 31.823 -0.231 0.000 1.001 125 V HN 0.145 nan 8.190 nan 0.000 0.476 126 K N 2.302 122.692 120.400 -0.017 0.000 2.448 126 K HA 0.203 4.511 4.320 -0.019 0.000 0.220 126 K C 1.064 177.669 176.600 0.007 0.000 1.259 126 K CA 0.468 56.750 56.287 -0.007 0.000 0.810 126 K CB 0.011 32.510 32.500 -0.001 0.000 1.540 126 K HN 0.705 nan 8.250 nan 0.000 0.434 127 S N 0.468 116.182 115.700 0.024 0.000 2.608 127 S HA 0.043 4.501 4.470 -0.019 0.000 0.261 127 S C 1.327 175.965 174.600 0.064 0.000 1.314 127 S CA 0.028 58.249 58.200 0.035 0.000 0.992 127 S CB 1.288 64.512 63.200 0.040 0.000 0.935 127 S HN 0.287 nan 8.310 nan 0.000 0.564 128 S N 1.024 116.763 115.700 0.066 0.000 2.382 128 S HA -0.185 4.273 4.470 -0.019 0.000 0.228 128 S C 2.065 176.777 174.600 0.186 0.000 1.027 128 S CA 1.279 59.545 58.200 0.109 0.000 0.991 128 S CB -1.471 61.772 63.200 0.072 0.000 0.823 128 S HN 1.095 nan 8.310 nan 0.000 0.469 129 S N 2.350 118.131 115.700 0.135 0.000 2.383 129 S HA -0.148 4.310 4.470 -0.019 0.000 0.227 129 S C 1.439 176.125 174.600 0.143 0.000 1.026 129 S CA 1.180 59.461 58.200 0.135 0.000 0.981 129 S CB -0.772 62.481 63.200 0.089 0.000 0.818 129 S HN 0.418 nan 8.310 nan 0.000 0.472 130 D N 1.620 122.093 120.400 0.122 0.000 2.144 130 D HA 0.011 4.639 4.640 -0.019 0.000 0.199 130 D C 1.974 178.384 176.300 0.184 0.000 0.984 130 D CA 0.792 54.862 54.000 0.116 0.000 0.834 130 D CB -0.422 40.417 40.800 0.065 0.000 0.955 130 D HN 0.321 nan 8.370 nan 0.000 0.465 131 L N 0.126 121.492 121.223 0.238 0.000 2.027 131 L HA -0.139 4.190 4.340 -0.019 0.000 0.206 131 L C 2.320 179.543 176.870 0.588 0.000 1.074 131 L CA 0.623 55.706 54.840 0.404 0.000 0.745 131 L CB -0.261 42.050 42.059 0.420 0.000 0.898 131 L HN 0.111 nan 8.230 nan 0.000 0.433 132 L N 0.295 121.819 121.223 0.502 0.000 2.013 132 L HA -0.271 4.058 4.340 -0.019 0.000 0.212 132 L C 2.676 179.601 176.870 0.090 0.000 1.073 132 L CA 1.866 56.813 54.840 0.178 0.000 0.753 132 L CB -0.668 41.454 42.059 0.106 0.000 0.890 132 L HN 0.140 nan 8.230 nan 0.000 0.432 133 R N -1.774 118.816 120.500 0.150 0.000 2.075 133 R HA -0.210 4.118 4.340 -0.019 0.000 0.232 133 R C 2.335 178.731 176.300 0.161 0.000 1.126 133 R CA 1.657 57.828 56.100 0.117 0.000 0.963 133 R CB -0.525 29.843 30.300 0.112 0.000 0.858 133 R HN 0.436 nan 8.270 nan 0.000 0.435 134 F N 0.220 120.194 119.950 0.039 0.000 2.069 134 F HA -0.257 4.259 4.527 -0.018 0.000 0.298 134 F C 1.430 177.245 175.800 0.024 0.000 1.113 134 F CA 1.613 59.596 58.000 -0.029 0.000 1.214 134 F CB -0.601 38.301 39.000 -0.164 0.000 0.978 134 F HN 0.015 nan 8.300 nan 0.000 0.474 135 Y N 0.518 120.792 120.300 -0.043 0.000 2.314 135 Y HA -0.147 4.392 4.550 -0.019 0.000 0.293 135 Y C 2.634 178.694 175.900 0.266 0.000 1.129 135 Y CA 1.451 59.552 58.100 0.002 0.000 1.201 135 Y CB -0.851 37.612 38.460 0.004 0.000 0.999 135 Y HN 0.144 nan 8.280 nan 0.000 0.541 136 Q N 0.096 120.014 119.800 0.196 0.000 2.124 136 Q HA -0.179 4.150 4.340 -0.019 0.000 0.202 136 Q C 1.410 177.519 176.000 0.182 0.000 0.977 136 Q CA 1.526 57.433 55.803 0.173 0.000 0.850 136 Q CB -0.540 28.207 28.738 0.015 0.000 0.901 136 Q HN 0.666 nan 8.270 nan 0.000 0.429 137 N N -0.711 118.058 118.700 0.114 0.000 2.463 137 N HA -0.061 4.668 4.740 -0.019 0.000 0.181 137 N C 0.040 175.571 175.510 0.035 0.000 1.078 137 N CA -0.363 52.722 53.050 0.059 0.000 0.902 137 N CB 0.096 38.615 38.487 0.053 0.000 0.970 137 N HN 0.177 nan 8.380 nan 0.000 0.451 138 W N 2.970 124.180 121.300 -0.149 0.000 2.251 138 W HA 0.061 4.710 4.660 -0.019 0.000 0.327 138 W C -0.646 175.761 176.519 -0.186 0.000 1.361 138 W CA -0.169 57.041 57.345 -0.225 0.000 1.234 138 W CB 0.559 29.822 29.460 -0.329 0.000 1.212 138 W HN -0.058 nan 8.180 nan 0.000 0.557 139 Q N 8.493 127.747 119.800 -0.909 0.000 2.368 139 Q HA 0.295 4.623 4.340 -0.019 0.000 0.263 139 Q C -2.091 173.090 176.000 -1.365 0.000 1.009 139 Q CA -2.119 53.088 55.803 -0.994 0.000 0.818 139 Q CB 1.140 29.575 28.738 -0.505 0.000 1.239 139 Q HN 0.380 nan 8.270 nan 0.000 0.464 140 P HA 0.059 nan 4.420 nan 0.000 0.268 140 P C 0.006 176.894 177.300 -0.685 0.000 1.205 140 P CA 0.087 62.512 63.100 -1.126 0.000 0.771 140 P CB 0.928 32.086 31.700 -0.904 0.000 0.858 141 A N 3.153 125.537 122.820 -0.728 0.000 1.970 141 A HA 0.049 4.358 4.320 -0.019 0.000 0.216 141 A C 0.352 177.620 177.584 -0.525 0.000 1.170 141 A CA 0.776 52.349 52.037 -0.772 0.000 0.645 141 A CB -0.281 17.942 19.000 -1.295 0.000 0.816 141 A HN 0.569 nan 8.150 nan 0.000 0.447 142 W N -2.232 119.003 121.300 -0.108 0.000 2.962 142 W HA 0.697 5.346 4.660 -0.019 0.000 0.341 142 W C 0.136 176.587 176.519 -0.113 0.000 1.155 142 W CA -1.528 55.764 57.345 -0.089 0.000 1.165 142 W CB 0.772 30.197 29.460 -0.059 0.000 1.435 142 W HN 0.174 nan 8.180 nan 0.000 0.546 143 A N 2.900 125.803 122.820 0.137 0.000 2.448 143 A HA 0.469 4.777 4.320 -0.019 0.000 0.239 143 A C -2.154 175.433 177.584 0.006 0.000 1.080 143 A CA -0.728 51.328 52.037 0.032 0.000 0.779 143 A CB -0.840 18.178 19.000 0.030 0.000 1.026 143 A HN 0.205 nan 8.150 nan 0.000 0.499 144 P HA 0.287 nan 4.420 nan 0.000 0.268 144 P C 0.764 177.905 177.300 -0.264 0.000 1.205 144 P CA 1.583 64.490 63.100 -0.322 0.000 0.771 144 P CB 0.507 31.913 31.700 -0.490 0.000 0.858 145 G N 1.717 110.313 108.800 -0.341 0.000 2.221 145 G HA2 -0.263 3.685 3.960 -0.019 0.000 0.265 145 G HA3 -0.263 3.685 3.960 -0.019 0.000 0.265 145 G C 0.647 175.506 174.900 -0.068 0.000 1.041 145 G CA 0.727 45.772 45.100 -0.091 0.000 0.807 145 G HN 0.699 nan 8.290 nan 0.000 0.502 146 T N -4.710 109.763 114.554 -0.134 0.000 3.019 146 T HA 0.442 4.780 4.350 -0.019 0.000 0.247 146 T C 0.697 175.251 174.700 -0.242 0.000 0.992 146 T CA 0.919 62.954 62.100 -0.108 0.000 1.036 146 T CB 0.596 69.428 68.868 -0.059 0.000 1.063 146 T HN 0.477 nan 8.240 nan 0.000 0.476 147 Q N 0.381 119.988 119.800 -0.321 0.000 2.389 147 Q HA 0.527 4.856 4.340 -0.019 0.000 0.277 147 Q C -1.443 174.388 176.000 -0.282 0.000 1.082 147 Q CA -0.854 54.666 55.803 -0.473 0.000 0.810 147 Q CB 3.225 31.267 28.738 -1.162 0.000 1.374 147 Q HN 0.221 nan 8.270 nan 0.000 0.422 148 R N 1.916 122.285 120.500 -0.218 0.000 2.346 148 R HA 0.549 4.877 4.340 -0.019 0.000 0.311 148 R C -1.565 174.776 176.300 0.069 0.000 0.983 148 R CA -0.532 55.544 56.100 -0.040 0.000 0.880 148 R CB 0.658 30.952 30.300 -0.009 0.000 1.100 148 R HN 0.479 nan 8.270 nan 0.000 0.453 149 L N 5.828 127.170 121.223 0.198 0.000 2.457 149 L HA 0.251 4.579 4.340 -0.019 0.000 0.266 149 L C -1.396 175.525 176.870 0.085 0.000 0.979 149 L CA -0.676 54.290 54.840 0.210 0.000 0.857 149 L CB 1.051 43.340 42.059 0.382 0.000 1.213 149 L HN 0.642 nan 8.230 nan 0.000 0.418 150 Y N 4.867 125.050 120.300 -0.195 0.000 2.881 150 Y HA 0.325 4.863 4.550 -0.020 0.000 0.335 150 Y C 0.009 175.738 175.900 -0.284 0.000 1.263 150 Y CA 0.985 58.741 58.100 -0.572 0.000 1.572 150 Y CB 0.409 38.606 38.460 -0.440 0.000 1.237 150 Y HN 0.822 nan 8.280 nan 0.000 0.568 151 A N 6.031 128.260 122.820 -0.985 0.000 2.480 151 A HA 0.267 4.575 4.320 -0.019 0.000 0.289 151 A C -0.072 177.350 177.584 -0.270 0.000 1.044 151 A CA -0.879 50.919 52.037 -0.399 0.000 0.761 151 A CB 0.710 19.676 19.000 -0.057 0.000 1.289 151 A HN 0.823 nan 8.150 nan 0.000 0.401 152 N N 1.272 119.852 118.700 -0.201 0.000 2.166 152 N HA -0.157 4.571 4.740 -0.019 0.000 0.186 152 N C 2.012 177.581 175.510 0.097 0.000 1.019 152 N CA 1.922 54.974 53.050 0.004 0.000 0.856 152 N CB -0.066 38.485 38.487 0.106 0.000 0.993 152 N HN 0.853 nan 8.380 nan 0.000 0.426 153 S N -0.781 114.991 115.700 0.119 0.000 2.474 153 S HA 0.010 4.469 4.470 -0.019 0.000 0.235 153 S C 2.026 176.803 174.600 0.295 0.000 0.997 153 S CA 0.979 59.337 58.200 0.262 0.000 0.949 153 S CB 0.015 63.399 63.200 0.307 0.000 0.766 153 S HN 0.206 nan 8.310 nan 0.000 0.517 154 S N 1.178 116.986 115.700 0.180 0.000 2.357 154 S HA 0.259 4.717 4.470 -0.019 0.000 0.209 154 S C 1.627 176.313 174.600 0.143 0.000 1.023 154 S CA 0.394 58.689 58.200 0.159 0.000 0.933 154 S CB -0.569 62.733 63.200 0.171 0.000 0.897 154 S HN 0.547 nan 8.310 nan 0.000 0.529 155 I N 1.374 122.026 120.570 0.136 0.000 2.493 155 I HA -0.003 4.155 4.170 -0.019 0.000 0.254 155 I C 2.083 178.288 176.117 0.145 0.000 1.160 155 I CA 1.167 62.537 61.300 0.118 0.000 1.445 155 I CB -0.571 37.479 38.000 0.083 0.000 1.086 155 I HN 0.486 nan 8.210 nan 0.000 0.433 156 G N 0.986 109.843 108.800 0.094 0.000 2.421 156 G HA2 -0.294 3.654 3.960 -0.019 0.000 0.216 156 G HA3 -0.294 3.654 3.960 -0.019 0.000 0.216 156 G C 1.521 176.391 174.900 -0.051 0.000 1.171 156 G CA 0.866 45.961 45.100 -0.010 0.000 0.775 156 G HN 0.378 nan 8.290 nan 0.000 0.543 157 L N -0.218 121.023 121.223 0.031 0.000 2.056 157 L HA 0.157 4.486 4.340 -0.019 0.000 0.207 157 L C 2.435 179.264 176.870 -0.067 0.000 1.078 157 L CA 1.446 56.238 54.840 -0.080 0.000 0.749 157 L CB -0.825 41.129 42.059 -0.174 0.000 0.901 157 L HN 0.233 nan 8.230 nan 0.000 0.433 158 F N 0.450 120.344 119.950 -0.093 0.000 2.091 158 F HA -0.159 4.357 4.527 -0.020 0.000 0.299 158 F C 2.164 177.907 175.800 -0.095 0.000 1.103 158 F CA 1.948 59.897 58.000 -0.085 0.000 1.228 158 F CB -1.003 37.958 39.000 -0.065 0.000 0.984 158 F HN 0.131 nan 8.300 nan 0.000 0.477 159 G N -0.431 108.260 108.800 -0.181 0.000 2.421 159 G HA2 -0.219 3.729 3.960 -0.019 0.000 0.216 159 G HA3 -0.219 3.729 3.960 -0.019 0.000 0.216 159 G C 1.821 176.568 174.900 -0.254 0.000 1.171 159 G CA 0.931 45.893 45.100 -0.229 0.000 0.775 159 G HN 0.661 nan 8.290 nan 0.000 0.543 160 A N 0.410 123.031 122.820 -0.331 0.000 1.902 160 A HA 0.128 4.437 4.320 -0.019 0.000 0.217 160 A C 2.423 179.830 177.584 -0.295 0.000 1.181 160 A CA 1.245 53.105 52.037 -0.295 0.000 0.623 160 A CB -0.335 18.460 19.000 -0.342 0.000 0.818 160 A HN 0.360 nan 8.150 nan 0.000 0.443 161 L N -1.091 119.923 121.223 -0.349 0.000 2.179 161 L HA -0.064 4.265 4.340 -0.019 0.000 0.208 161 L C 3.006 179.593 176.870 -0.472 0.000 1.096 161 L CA 0.747 55.376 54.840 -0.352 0.000 0.779 161 L CB -0.526 41.378 42.059 -0.258 0.000 0.922 161 L HN 0.414 nan 8.230 nan 0.000 0.443 162 A N 0.369 122.840 122.820 -0.582 0.000 1.978 162 A HA -0.149 4.159 4.320 -0.019 0.000 0.220 162 A C 2.113 179.463 177.584 -0.390 0.000 1.170 162 A CA 1.871 53.534 52.037 -0.623 0.000 0.636 162 A CB -0.706 17.780 19.000 -0.856 0.000 0.810 162 A HN 0.346 nan 8.150 nan 0.000 0.448 163 V N -3.441 116.313 119.914 -0.267 0.000 3.649 163 V HA 0.092 4.200 4.120 -0.019 0.000 0.275 163 V C 1.614 177.615 176.094 -0.155 0.000 1.281 163 V CA 1.041 63.231 62.300 -0.183 0.000 1.143 163 V CB -0.505 31.248 31.823 -0.118 0.000 0.892 163 V HN 0.408 nan 8.190 nan 0.000 0.441 164 K N 1.295 121.590 120.400 -0.175 0.000 2.009 164 K HA -0.059 4.250 4.320 -0.019 0.000 0.210 164 K C 0.045 176.616 176.600 -0.049 0.000 1.049 164 K CA 2.082 58.308 56.287 -0.102 0.000 0.929 164 K CB -1.446 31.015 32.500 -0.066 0.000 0.714 164 K HN 0.465 nan 8.250 nan 0.000 0.440 165 P HA -0.180 nan 4.420 nan 0.000 0.217 165 P C 1.395 178.678 177.300 -0.029 0.000 1.148 165 P CA 1.559 64.662 63.100 0.005 0.000 0.828 165 P CB -0.050 31.666 31.700 0.027 0.000 0.783 166 S N -1.345 114.317 115.700 -0.063 0.000 2.442 166 S HA -0.014 4.444 4.470 -0.019 0.000 0.236 166 S C 1.941 176.505 174.600 -0.060 0.000 1.007 166 S CA 1.215 59.375 58.200 -0.068 0.000 0.965 166 S CB -1.590 61.551 63.200 -0.098 0.000 0.773 166 S HN 0.317 nan 8.310 nan 0.000 0.504 167 G N 0.607 109.373 108.800 -0.056 0.000 2.220 167 G HA2 -0.261 3.688 3.960 -0.019 0.000 0.269 167 G HA3 -0.261 3.688 3.960 -0.019 0.000 0.269 167 G C 0.033 174.897 174.900 -0.060 0.000 0.977 167 G CA 0.621 45.690 45.100 -0.050 0.000 0.634 167 G HN 0.604 nan 8.290 nan 0.000 0.539 168 L N 1.704 122.881 121.223 -0.077 0.000 2.399 168 L HA 0.552 4.881 4.340 -0.019 0.000 0.266 168 L C 1.533 178.352 176.870 -0.084 0.000 1.114 168 L CA -0.211 54.577 54.840 -0.087 0.000 0.804 168 L CB 1.269 43.259 42.059 -0.116 0.000 1.146 168 L HN 0.404 nan 8.230 nan 0.000 0.451 169 S N 0.764 116.420 115.700 -0.073 0.000 2.576 169 S HA -0.021 4.438 4.470 -0.019 0.000 0.272 169 S C 0.901 175.468 174.600 -0.055 0.000 1.352 169 S CA -0.306 57.865 58.200 -0.048 0.000 1.021 169 S CB 0.357 63.534 63.200 -0.039 0.000 0.887 169 S HN 0.551 nan 8.310 nan 0.000 0.542 170 F N 1.315 121.172 119.950 -0.154 0.000 2.091 170 F HA -0.126 4.389 4.527 -0.019 0.000 0.299 170 F C 2.516 178.204 175.800 -0.187 0.000 1.103 170 F CA 2.331 60.225 58.000 -0.177 0.000 1.228 170 F CB -0.451 38.444 39.000 -0.175 0.000 0.984 170 F HN 0.948 nan 8.300 nan 0.000 0.477 171 E N -0.541 119.627 120.200 -0.054 0.000 2.051 171 E HA -0.259 4.079 4.350 -0.019 0.000 0.192 171 E C 2.239 178.695 176.600 -0.241 0.000 0.991 171 E CA 1.312 57.628 56.400 -0.141 0.000 0.799 171 E CB -0.183 29.506 29.700 -0.018 0.000 0.748 171 E HN 0.448 nan 8.360 nan 0.000 0.449 172 Q N -0.187 119.506 119.800 -0.178 0.000 2.124 172 Q HA -0.135 4.194 4.340 -0.019 0.000 0.202 172 Q C 2.097 177.946 176.000 -0.250 0.000 0.977 172 Q CA 1.287 56.984 55.803 -0.175 0.000 0.850 172 Q CB -0.207 28.460 28.738 -0.118 0.000 0.901 172 Q HN 0.366 nan 8.270 nan 0.000 0.429 173 A N 0.616 123.248 122.820 -0.313 0.000 1.877 173 A HA -0.216 4.092 4.320 -0.019 0.000 0.216 173 A C 2.116 179.415 177.584 -0.475 0.000 1.186 173 A CA 1.802 53.626 52.037 -0.355 0.000 0.620 173 A CB -0.492 18.286 19.000 -0.370 0.000 0.822 173 A HN 0.341 nan 8.150 nan 0.000 0.443 174 M N -0.111 119.067 119.600 -0.703 0.000 2.086 174 M HA -0.205 4.263 4.480 -0.019 0.000 0.261 174 M C 2.163 177.894 176.300 -0.949 0.000 1.067 174 M CA 2.047 56.791 55.300 -0.925 0.000 1.116 174 M CB -0.643 31.249 32.600 -1.181 0.000 1.348 174 M HN 0.537 nan 8.290 nan 0.000 0.407 175 Q N -1.420 117.973 119.800 -0.678 0.000 2.030 175 Q HA -0.173 4.155 4.340 -0.019 0.000 0.204 175 Q C 1.944 177.808 176.000 -0.228 0.000 0.986 175 Q CA 2.309 57.894 55.803 -0.363 0.000 0.843 175 Q CB -0.475 28.175 28.738 -0.148 0.000 0.904 175 Q HN 0.529 nan 8.270 nan 0.000 0.420 176 T N 0.183 114.609 114.554 -0.214 0.000 2.857 176 T HA -0.026 4.313 4.350 -0.019 0.000 0.266 176 T C 1.594 176.216 174.700 -0.129 0.000 1.048 176 T CA 0.952 62.969 62.100 -0.139 0.000 1.139 176 T CB 0.030 68.822 68.868 -0.127 0.000 0.874 176 T HN 0.190 nan 8.240 nan 0.000 0.455 177 R N -0.368 120.024 120.500 -0.181 0.000 2.282 177 R HA 0.282 4.611 4.340 -0.019 0.000 0.195 177 R C 1.504 177.748 176.300 -0.093 0.000 0.909 177 R CA 0.255 56.276 56.100 -0.131 0.000 1.039 177 R CB 0.490 30.700 30.300 -0.150 0.000 1.015 177 R HN 0.213 nan 8.270 nan 0.000 0.513 178 V N -0.990 118.834 119.914 -0.150 0.000 3.161 178 V HA 0.030 4.139 4.120 -0.019 0.000 0.221 178 V C 1.365 177.525 176.094 0.109 0.000 1.296 178 V CA 0.432 62.721 62.300 -0.019 0.000 1.306 178 V CB -0.299 31.489 31.823 -0.058 0.000 1.171 178 V HN -0.031 nan 8.190 nan 0.000 0.513 179 F N 1.513 121.397 119.950 -0.111 0.000 2.075 179 F HA -0.146 4.369 4.527 -0.020 0.000 0.297 179 F C 2.616 178.343 175.800 -0.122 0.000 1.113 179 F CA 1.575 59.475 58.000 -0.165 0.000 1.218 179 F CB -1.246 37.575 39.000 -0.299 0.000 0.984 179 F HN 0.186 nan 8.300 nan 0.000 0.472 180 Q N -0.134 119.714 119.800 0.080 0.000 2.020 180 Q HA -0.169 4.160 4.340 -0.019 0.000 0.202 180 Q C -0.263 175.747 176.000 0.018 0.000 0.982 180 Q CA 2.027 57.837 55.803 0.013 0.000 0.838 180 Q CB -1.552 27.174 28.738 -0.019 0.000 0.899 180 Q HN 0.256 nan 8.270 nan 0.000 0.423 181 P HA -0.163 nan 4.420 nan 0.000 0.218 181 P C 0.651 177.983 177.300 0.053 0.000 1.148 181 P CA 1.257 64.375 63.100 0.030 0.000 0.822 181 P CB 0.026 31.745 31.700 0.031 0.000 0.784 182 L N -1.517 119.762 121.223 0.094 0.000 2.592 182 L HA 0.146 4.474 4.340 -0.019 0.000 0.227 182 L C 0.435 177.352 176.870 0.079 0.000 1.127 182 L CA 0.122 55.033 54.840 0.118 0.000 0.884 182 L CB -0.637 41.563 42.059 0.235 0.000 1.065 182 L HN -0.037 nan 8.230 nan 0.000 0.457 183 K N 0.827 121.249 120.400 0.038 0.000 3.125 183 K HA -0.166 4.142 4.320 -0.019 0.000 0.268 183 K C -0.305 176.274 176.600 -0.034 0.000 1.078 183 K CA 0.388 56.673 56.287 -0.003 0.000 0.775 183 K CB -1.785 30.718 32.500 0.006 0.000 1.253 183 K HN 0.320 nan 8.250 nan 0.000 0.486 184 L N 1.339 122.522 121.223 -0.066 0.000 2.389 184 L HA 0.156 4.484 4.340 -0.019 0.000 0.265 184 L C 0.965 177.594 176.870 -0.401 0.000 1.167 184 L CA -0.498 54.223 54.840 -0.199 0.000 1.045 184 L CB 0.198 42.116 42.059 -0.235 0.000 1.351 184 L HN 0.162 nan 8.230 nan 0.000 0.419 185 N N 0.047 118.534 118.700 -0.354 0.000 2.336 185 N HA -0.000 4.728 4.740 -0.019 0.000 0.189 185 N C 0.288 175.170 175.510 -1.046 0.000 1.113 185 N CA 0.464 53.170 53.050 -0.572 0.000 0.858 185 N CB 0.276 38.533 38.487 -0.384 0.000 0.970 185 N HN 0.569 nan 8.380 nan 0.000 0.471 186 H N -1.259 117.434 119.070 -0.627 0.000 2.676 186 H HA 0.313 4.857 4.556 -0.020 0.000 0.238 186 H C -0.645 174.100 175.328 -0.971 0.000 1.276 186 H CA -0.143 55.532 56.048 -0.622 0.000 0.983 186 H CB 0.495 30.155 29.762 -0.169 0.000 2.000 186 H HN -0.182 nan 8.280 nan 0.000 0.584 187 T N 0.398 114.052 114.554 -1.499 0.000 2.848 187 T HA 0.366 4.705 4.350 -0.019 0.000 0.285 187 T C -1.063 172.629 174.700 -1.679 0.000 0.995 187 T CA -0.629 60.602 62.100 -1.449 0.000 0.970 187 T CB 1.140 69.099 68.868 -1.515 0.000 0.976 187 T HN 0.275 nan 8.240 nan 0.000 0.441 188 W N 1.982 122.936 121.300 -0.577 0.000 3.022 188 W HA 0.559 5.209 4.660 -0.018 0.000 0.335 188 W C 0.549 176.933 176.519 -0.225 0.000 1.133 188 W CA -0.871 56.282 57.345 -0.320 0.000 1.219 188 W CB 1.025 30.300 29.460 -0.307 0.000 1.409 188 W HN 0.495 nan 8.180 nan 0.000 0.507 189 I N 1.584 122.255 120.570 0.168 0.000 2.585 189 I HA -0.052 4.106 4.170 -0.019 0.000 0.254 189 I C 0.366 176.485 176.117 0.005 0.000 1.129 189 I CA 0.884 62.224 61.300 0.067 0.000 1.455 189 I CB -0.040 38.016 38.000 0.092 0.000 1.111 189 I HN 0.320 nan 8.210 nan 0.000 0.433 190 N N 0.999 119.712 118.700 0.020 0.000 2.399 190 N HA 0.263 4.992 4.740 -0.019 0.000 0.280 190 N C -0.903 174.491 175.510 -0.194 0.000 1.008 190 N CA -0.293 52.707 53.050 -0.083 0.000 0.894 190 N CB 2.867 41.313 38.487 -0.069 0.000 1.273 190 N HN -0.221 nan 8.380 nan 0.000 0.486 191 V N 4.104 123.809 119.914 -0.349 0.000 2.446 191 V HA 0.155 4.263 4.120 -0.019 0.000 0.276 191 V C -1.769 173.975 176.094 -0.584 0.000 1.030 191 V CA -1.000 60.921 62.300 -0.632 0.000 1.033 191 V CB 0.283 31.666 31.823 -0.733 0.000 0.993 191 V HN 0.490 nan 8.190 nan 0.000 0.477 192 P HA 0.235 nan 4.420 nan 0.000 0.272 192 P C -2.080 174.987 177.300 -0.389 0.000 1.223 192 P CA -1.536 61.234 63.100 -0.550 0.000 0.784 192 P CB 0.137 31.426 31.700 -0.685 0.000 0.923 193 P HA -0.213 nan 4.420 nan 0.000 0.217 193 P C 1.158 178.371 177.300 -0.145 0.000 1.148 193 P CA 1.780 64.788 63.100 -0.154 0.000 0.828 193 P CB -0.355 31.282 31.700 -0.104 0.000 0.783 194 A N -0.101 122.615 122.820 -0.172 0.000 2.019 194 A HA -0.168 4.140 4.320 -0.019 0.000 0.219 194 A C 1.843 179.353 177.584 -0.124 0.000 1.164 194 A CA 1.425 53.386 52.037 -0.126 0.000 0.644 194 A CB -0.679 18.250 19.000 -0.118 0.000 0.805 194 A HN 0.120 nan 8.150 nan 0.000 0.449 195 E N -0.345 119.722 120.200 -0.222 0.000 2.481 195 E HA 0.021 4.360 4.350 -0.019 0.000 0.198 195 E C 1.196 177.721 176.600 -0.125 0.000 1.027 195 E CA 0.131 56.420 56.400 -0.184 0.000 0.900 195 E CB -0.098 29.372 29.700 -0.383 0.000 0.993 195 E HN 0.749 nan 8.360 nan 0.000 0.482 196 E N 1.559 121.695 120.200 -0.108 0.000 2.153 196 E HA -0.194 4.144 4.350 -0.019 0.000 0.194 196 E C 1.933 178.548 176.600 0.025 0.000 0.988 196 E CA 1.095 57.479 56.400 -0.027 0.000 0.811 196 E CB -0.156 29.532 29.700 -0.020 0.000 0.746 196 E HN 0.277 nan 8.360 nan 0.000 0.466 197 K N 0.599 121.009 120.400 0.017 0.000 2.218 197 K HA -0.159 4.149 4.320 -0.019 0.000 0.205 197 K C 1.309 177.939 176.600 0.051 0.000 1.046 197 K CA 1.433 57.744 56.287 0.040 0.000 0.933 197 K CB -0.050 32.468 32.500 0.029 0.000 0.728 197 K HN 0.001 nan 8.250 nan 0.000 0.454 198 N N -0.491 118.235 118.700 0.045 0.000 2.236 198 N HA -0.034 4.694 4.740 -0.019 0.000 0.196 198 N C -0.786 174.771 175.510 0.079 0.000 1.114 198 N CA -0.030 53.051 53.050 0.051 0.000 0.859 198 N CB 0.267 38.781 38.487 0.044 0.000 0.982 198 N HN 0.165 nan 8.380 nan 0.000 0.493 199 Y N 2.904 123.138 120.300 -0.109 0.000 2.539 199 Y HA 0.425 4.966 4.550 -0.015 0.000 0.352 199 Y C 0.209 176.028 175.900 -0.136 0.000 1.004 199 Y CA -1.772 56.222 58.100 -0.176 0.000 1.278 199 Y CB -0.445 37.835 38.460 -0.300 0.000 1.136 199 Y HN -0.043 nan 8.280 nan 0.000 0.528 200 A N 5.998 128.871 122.820 0.088 0.000 2.466 200 A HA 0.099 4.407 4.320 -0.019 0.000 0.238 200 A C -0.543 177.054 177.584 0.021 0.000 1.074 200 A CA -0.273 51.788 52.037 0.039 0.000 0.774 200 A CB 0.096 19.053 19.000 -0.072 0.000 1.015 200 A HN 0.874 nan 8.150 nan 0.000 0.498 201 W N 0.641 121.944 121.300 0.004 0.000 2.261 201 W HA 0.477 5.134 4.660 -0.004 0.000 0.323 201 W C 0.934 177.157 176.519 -0.493 0.000 1.243 201 W CA 0.609 57.753 57.345 -0.335 0.000 1.210 201 W CB 1.060 30.196 29.460 -0.540 0.000 1.149 201 W HN 0.937 nan 8.180 nan 0.000 0.562 202 G N 1.442 110.031 108.800 -0.352 0.000 2.504 202 G HA2 0.465 4.413 3.960 -0.019 0.000 0.288 202 G HA3 0.465 4.413 3.960 -0.019 0.000 0.288 202 G C -2.098 172.402 174.900 -0.666 0.000 1.182 202 G CA -0.467 44.153 45.100 -0.800 0.000 0.894 202 G HN 0.428 nan 8.290 nan 0.000 0.521 203 Y N -0.358 119.849 120.300 -0.155 0.000 2.338 203 Y HA 0.526 5.063 4.550 -0.022 0.000 0.333 203 Y C 0.435 176.325 175.900 -0.017 0.000 0.968 203 Y CA -0.780 57.286 58.100 -0.056 0.000 1.123 203 Y CB 2.247 40.680 38.460 -0.045 0.000 1.165 203 Y HN 0.488 nan 8.280 nan 0.000 0.452 204 R N 3.058 123.611 120.500 0.089 0.000 2.451 204 R HA 0.269 4.598 4.340 -0.019 0.000 0.307 204 R C -0.721 175.621 176.300 0.069 0.000 0.965 204 R CA -0.391 55.755 56.100 0.077 0.000 0.865 204 R CB 0.728 31.061 30.300 0.055 0.000 1.174 204 R HN 0.749 nan 8.270 nan 0.000 0.455 205 E N 2.803 123.045 120.200 0.069 0.000 2.328 205 E HA -0.246 4.092 4.350 -0.019 0.000 0.233 205 E C 0.602 177.233 176.600 0.052 0.000 1.219 205 E CA 1.377 57.806 56.400 0.050 0.000 0.717 205 E CB -1.505 28.215 29.700 0.033 0.000 1.210 205 E HN 1.181 nan 8.360 nan 0.000 0.381 206 G N -0.173 108.678 108.800 0.086 0.000 2.212 206 G HA2 -0.410 3.538 3.960 -0.019 0.000 0.266 206 G HA3 -0.410 3.538 3.960 -0.019 0.000 0.266 206 G C 0.308 175.297 174.900 0.149 0.000 0.978 206 G CA 0.944 46.101 45.100 0.095 0.000 0.632 206 G HN 0.439 nan 8.290 nan 0.000 0.537 207 K N 0.959 121.417 120.400 0.096 0.000 2.183 207 K HA 0.712 5.020 4.320 -0.019 0.000 0.274 207 K C 0.645 177.174 176.600 -0.118 0.000 1.009 207 K CA -0.095 56.194 56.287 0.002 0.000 0.888 207 K CB 0.924 33.403 32.500 -0.036 0.000 1.078 207 K HN 0.572 nan 8.250 nan 0.000 0.459 208 A N 3.513 126.141 122.820 -0.321 0.000 2.492 208 A HA 0.358 4.667 4.320 -0.019 0.000 0.254 208 A C -0.366 177.000 177.584 -0.363 0.000 1.091 208 A CA -0.328 51.300 52.037 -0.681 0.000 0.768 208 A CB -0.158 18.227 19.000 -1.025 0.000 1.028 208 A HN 0.619 nan 8.150 nan 0.000 0.498 209 V N 1.175 121.003 119.914 -0.143 0.000 2.888 209 V HA 0.670 4.778 4.120 -0.019 0.000 0.309 209 V C -0.738 175.446 176.094 0.151 0.000 1.114 209 V CA -0.818 61.519 62.300 0.061 0.000 0.940 209 V CB 1.100 32.949 31.823 0.043 0.000 1.021 209 V HN 0.965 nan 8.190 nan 0.000 0.426 210 H N 1.148 120.357 119.070 0.230 0.000 2.670 210 H HA 0.705 5.251 4.556 -0.016 0.000 0.361 210 H C -0.348 175.076 175.328 0.160 0.000 1.169 210 H CA -0.961 55.158 56.048 0.117 0.000 1.198 210 H CB 2.292 31.983 29.762 -0.119 0.000 1.700 210 H HN 0.786 nan 8.280 nan 0.000 0.542 211 V N 2.052 122.160 119.914 0.323 0.000 2.673 211 V HA -0.006 4.103 4.120 -0.019 0.000 0.303 211 V C -0.149 176.070 176.094 0.208 0.000 1.046 211 V CA 0.277 62.723 62.300 0.244 0.000 1.126 211 V CB 0.794 32.767 31.823 0.249 0.000 0.934 211 V HN 0.745 nan 8.190 nan 0.000 0.487 212 S N 7.478 123.285 115.700 0.179 0.000 2.584 212 S HA 0.442 4.900 4.470 -0.019 0.000 0.273 212 S C -2.246 172.448 174.600 0.156 0.000 1.311 212 S CA -0.648 57.639 58.200 0.145 0.000 1.034 212 S CB 1.030 64.296 63.200 0.110 0.000 0.939 212 S HN 0.829 nan 8.310 nan 0.000 0.513 213 P HA 0.416 nan 4.420 nan 0.000 0.267 213 P C -0.145 177.209 177.300 0.089 0.000 1.200 213 P CA -0.075 63.071 63.100 0.075 0.000 0.772 213 P CB 0.395 32.118 31.700 0.038 0.000 0.855 214 G N -0.063 108.779 108.800 0.069 0.000 2.698 214 G HA2 0.555 4.503 3.960 -0.019 0.000 0.293 214 G HA3 0.555 4.503 3.960 -0.019 0.000 0.293 214 G C -1.349 173.547 174.900 -0.006 0.000 1.437 214 G CA -0.496 44.648 45.100 0.075 0.000 0.852 214 G HN 0.538 nan 8.290 nan 0.000 0.499 215 A N 0.355 123.163 122.820 -0.021 0.000 2.546 215 A HA 0.505 4.813 4.320 -0.019 0.000 0.243 215 A C 1.439 178.978 177.584 -0.074 0.000 1.063 215 A CA 0.674 52.680 52.037 -0.053 0.000 0.757 215 A CB -0.429 18.534 19.000 -0.061 0.000 0.991 215 A HN 1.756 nan 8.150 nan 0.000 0.503 216 L N 0.354 121.500 121.223 -0.129 0.000 4.232 216 L HA -0.324 4.004 4.340 -0.019 0.000 0.415 216 L C 1.270 177.932 176.870 -0.347 0.000 1.168 216 L CA 0.707 55.426 54.840 -0.203 0.000 0.966 216 L CB -1.741 40.265 42.059 -0.089 0.000 2.052 216 L HN 1.017 nan 8.230 nan 0.000 0.887 217 D N 0.269 120.407 120.400 -0.437 0.000 2.117 217 D HA -0.147 4.481 4.640 -0.019 0.000 0.197 217 D C 1.954 177.831 176.300 -0.705 0.000 0.987 217 D CA 1.473 54.910 54.000 -0.938 0.000 0.829 217 D CB -0.116 40.280 40.800 -0.673 0.000 0.961 217 D HN 0.449 nan 8.370 nan 0.000 0.460 218 A N 0.738 123.309 122.820 -0.415 0.000 1.908 218 A HA -0.212 4.096 4.320 -0.019 0.000 0.218 218 A C 2.106 179.493 177.584 -0.329 0.000 1.181 218 A CA 1.918 53.801 52.037 -0.257 0.000 0.627 218 A CB -0.656 18.273 19.000 -0.120 0.000 0.818 218 A HN 0.222 nan 8.150 nan 0.000 0.445 219 E N -0.558 119.260 120.200 -0.637 0.000 2.216 219 E HA 0.165 4.503 4.350 -0.019 0.000 0.192 219 E C 1.943 178.403 176.600 -0.233 0.000 0.988 219 E CA 1.132 57.089 56.400 -0.739 0.000 0.834 219 E CB -0.174 29.019 29.700 -0.844 0.000 0.772 219 E HN 0.597 nan 8.360 nan 0.000 0.479 220 A N -0.346 122.352 122.820 -0.203 0.000 2.013 220 A HA 0.106 4.414 4.320 -0.019 0.000 0.204 220 A C 0.809 178.501 177.584 0.180 0.000 1.262 220 A CA 0.520 52.576 52.037 0.032 0.000 0.800 220 A CB 0.031 19.118 19.000 0.144 0.000 0.909 220 A HN 0.392 nan 8.150 nan 0.000 0.472 221 Y N -3.931 116.394 120.300 0.043 0.000 2.979 221 Y HA 0.499 5.037 4.550 -0.020 0.000 0.251 221 Y C 0.896 176.820 175.900 0.040 0.000 1.092 221 Y CA -0.343 57.796 58.100 0.065 0.000 1.206 221 Y CB -0.357 38.147 38.460 0.074 0.000 1.254 221 Y HN 0.002 nan 8.280 nan 0.000 0.625 222 G N 0.635 109.377 108.800 -0.097 0.000 3.088 222 G HA2 0.301 4.249 3.960 -0.019 0.000 0.217 222 G HA3 0.301 4.249 3.960 -0.019 0.000 0.217 222 G C -0.151 174.721 174.900 -0.046 0.000 1.159 222 G CA 0.141 45.179 45.100 -0.104 0.000 0.760 222 G HN 0.128 nan 8.290 nan 0.000 0.550 223 V N 0.793 120.687 119.914 -0.033 0.000 2.498 223 V HA 0.404 4.513 4.120 -0.019 0.000 0.279 223 V C -0.350 175.658 176.094 -0.143 0.000 1.048 223 V CA -0.479 61.744 62.300 -0.129 0.000 0.967 223 V CB 1.375 33.037 31.823 -0.269 0.000 0.988 223 V HN 0.136 nan 8.190 nan 0.000 0.473 224 K N 2.664 122.943 120.400 -0.201 0.000 2.270 224 K HA 0.798 5.106 4.320 -0.019 0.000 0.255 224 K C -0.480 175.998 176.600 -0.202 0.000 0.936 224 K CA -0.194 55.975 56.287 -0.198 0.000 0.809 224 K CB 2.008 34.309 32.500 -0.331 0.000 1.131 224 K HN 0.687 nan 8.250 nan 0.000 0.427 225 S N 0.140 115.784 115.700 -0.094 0.000 2.625 225 S HA 0.599 5.058 4.470 -0.019 0.000 0.271 225 S C -1.146 173.509 174.600 0.091 0.000 1.161 225 S CA -0.734 57.403 58.200 -0.105 0.000 0.820 225 S CB 0.986 64.083 63.200 -0.171 0.000 1.137 225 S HN 0.691 nan 8.310 nan 0.000 0.470 226 T N 0.169 114.760 114.554 0.062 0.000 2.912 226 T HA 0.515 4.854 4.350 -0.019 0.000 0.280 226 T C 1.228 176.005 174.700 0.128 0.000 0.989 226 T CA -0.523 61.658 62.100 0.136 0.000 0.995 226 T CB 0.743 69.627 68.868 0.028 0.000 1.077 226 T HN 0.422 nan 8.240 nan 0.000 0.531 227 I N 0.629 121.278 120.570 0.132 0.000 2.394 227 I HA -0.016 4.143 4.170 -0.019 0.000 0.251 227 I C 2.324 178.517 176.117 0.128 0.000 1.136 227 I CA 1.352 62.733 61.300 0.135 0.000 1.425 227 I CB -0.664 37.428 38.000 0.153 0.000 1.079 227 I HN 0.815 nan 8.210 nan 0.000 0.425 228 E N 0.038 120.197 120.200 -0.068 0.000 2.047 228 E HA -0.219 4.119 4.350 -0.019 0.000 0.191 228 E C 1.712 178.360 176.600 0.080 0.000 0.987 228 E CA 1.469 57.818 56.400 -0.084 0.000 0.799 228 E CB -0.166 29.367 29.700 -0.278 0.000 0.752 228 E HN 0.463 nan 8.360 nan 0.000 0.449 229 D N 0.134 120.558 120.400 0.040 0.000 2.144 229 D HA -0.129 4.499 4.640 -0.019 0.000 0.199 229 D C 1.835 178.232 176.300 0.161 0.000 0.984 229 D CA 0.954 54.985 54.000 0.053 0.000 0.834 229 D CB -0.016 40.741 40.800 -0.071 0.000 0.955 229 D HN 0.080 nan 8.370 nan 0.000 0.465 230 M N 0.264 119.976 119.600 0.187 0.000 2.175 230 M HA 0.026 4.494 4.480 -0.019 0.000 0.264 230 M C 2.245 178.722 176.300 0.295 0.000 1.063 230 M CA 0.622 56.098 55.300 0.294 0.000 1.119 230 M CB -1.076 31.676 32.600 0.254 0.000 1.377 230 M HN -0.028 nan 8.290 nan 0.000 0.415 231 A N 0.026 122.996 122.820 0.250 0.000 1.908 231 A HA -0.211 4.097 4.320 -0.019 0.000 0.218 231 A C 2.393 180.056 177.584 0.131 0.000 1.181 231 A CA 1.989 54.142 52.037 0.193 0.000 0.627 231 A CB -0.736 18.422 19.000 0.263 0.000 0.818 231 A HN 0.462 nan 8.150 nan 0.000 0.445 232 R N -1.434 119.164 120.500 0.164 0.000 2.096 232 R HA -0.166 4.162 4.340 -0.019 0.000 0.235 232 R C 2.158 178.563 176.300 0.177 0.000 1.127 232 R CA 1.488 57.666 56.100 0.129 0.000 0.968 232 R CB -0.371 30.007 30.300 0.130 0.000 0.861 232 R HN 0.843 nan 8.270 nan 0.000 0.440 233 W N 0.464 121.788 121.300 0.039 0.000 2.335 233 W HA -0.219 4.430 4.660 -0.018 0.000 0.311 233 W C 1.457 177.925 176.519 -0.084 0.000 1.213 233 W CA 1.289 58.652 57.345 0.030 0.000 1.274 233 W CB -0.118 29.407 29.460 0.109 0.000 1.148 233 W HN -0.036 nan 8.180 nan 0.000 0.498 234 V N 1.083 120.929 119.914 -0.112 0.000 2.295 234 V HA -0.353 3.755 4.120 -0.019 0.000 0.246 234 V C 2.387 178.143 176.094 -0.563 0.000 1.049 234 V CA 2.463 64.490 62.300 -0.455 0.000 1.024 234 V CB -1.227 30.466 31.823 -0.216 0.000 0.648 234 V HN 0.182 nan 8.190 nan 0.000 0.447 235 Q N 0.586 120.208 119.800 -0.297 0.000 2.096 235 Q HA -0.178 4.150 4.340 -0.019 0.000 0.204 235 Q C 2.319 178.132 176.000 -0.312 0.000 0.982 235 Q CA 2.404 58.044 55.803 -0.272 0.000 0.850 235 Q CB -0.567 28.084 28.738 -0.145 0.000 0.901 235 Q HN 0.633 nan 8.270 nan 0.000 0.422 236 S N 0.439 115.975 115.700 -0.273 0.000 2.382 236 S HA -0.064 4.395 4.470 -0.019 0.000 0.228 236 S C 1.541 175.889 174.600 -0.419 0.000 1.027 236 S CA 1.170 59.220 58.200 -0.251 0.000 0.991 236 S CB -0.286 62.846 63.200 -0.115 0.000 0.823 236 S HN 0.487 nan 8.310 nan 0.000 0.469 237 N N 1.023 119.300 118.700 -0.705 0.000 2.376 237 N HA 0.143 4.872 4.740 -0.019 0.000 0.177 237 N C 1.598 176.594 175.510 -0.858 0.000 1.024 237 N CA 0.450 52.985 53.050 -0.859 0.000 0.893 237 N CB -0.124 37.619 38.487 -1.240 0.000 0.980 237 N HN 0.323 nan 8.380 nan 0.000 0.439 238 L N 0.588 121.274 121.223 -0.896 0.000 2.083 238 L HA -0.062 4.267 4.340 -0.019 0.000 0.209 238 L C 0.662 177.346 176.870 -0.310 0.000 1.083 238 L CA 1.138 55.646 54.840 -0.554 0.000 0.752 238 L CB 0.084 41.872 42.059 -0.452 0.000 0.899 238 L HN -0.087 nan 8.230 nan 0.000 0.433 239 K N -0.563 119.666 120.400 -0.284 0.000 2.954 239 K HA 0.235 4.543 4.320 -0.019 0.000 0.171 239 K C -1.954 174.552 176.600 -0.158 0.000 1.079 239 K CA -1.318 54.858 56.287 -0.185 0.000 0.908 239 K CB 0.979 33.385 32.500 -0.157 0.000 1.142 239 K HN -0.063 nan 8.250 nan 0.000 0.613 240 P HA -0.076 nan 4.420 nan 0.000 0.223 240 P C 1.188 178.442 177.300 -0.076 0.000 1.151 240 P CA 0.632 63.662 63.100 -0.116 0.000 0.787 240 P CB 0.333 31.971 31.700 -0.103 0.000 0.788 241 L N -0.339 120.841 121.223 -0.073 0.000 2.362 241 L HA -0.080 4.248 4.340 -0.019 0.000 0.219 241 L C 1.655 178.496 176.870 -0.049 0.000 1.134 241 L CA 1.077 55.885 54.840 -0.054 0.000 0.807 241 L CB -0.896 41.132 42.059 -0.051 0.000 0.927 241 L HN -0.096 nan 8.230 nan 0.000 0.447 242 D N 0.298 120.663 120.400 -0.059 0.000 2.371 242 D HA 0.063 4.692 4.640 -0.019 0.000 0.221 242 D C 0.720 176.998 176.300 -0.038 0.000 0.986 242 D CA 0.692 54.661 54.000 -0.050 0.000 0.899 242 D CB 0.040 40.804 40.800 -0.061 0.000 0.902 242 D HN 0.250 nan 8.370 nan 0.000 0.530 243 I N 1.554 122.102 120.570 -0.036 0.000 2.416 243 I HA 0.027 4.185 4.170 -0.019 0.000 0.288 243 I C 1.285 177.394 176.117 -0.013 0.000 1.051 243 I CA -0.384 60.904 61.300 -0.019 0.000 1.375 243 I CB 1.008 39.000 38.000 -0.013 0.000 1.407 243 I HN -0.216 nan 8.210 nan 0.000 0.516 244 N N 3.951 122.646 118.700 -0.008 0.000 2.331 244 N HA -0.074 4.655 4.740 -0.019 0.000 0.180 244 N C 0.114 175.621 175.510 -0.005 0.000 1.019 244 N CA 0.744 53.789 53.050 -0.008 0.000 0.881 244 N CB -0.004 38.478 38.487 -0.007 0.000 0.972 244 N HN 0.552 nan 8.380 nan 0.000 0.435 245 E N 1.109 121.309 120.200 0.000 0.000 2.217 245 E HA 0.095 4.433 4.350 -0.019 0.000 0.279 245 E C 0.765 177.366 176.600 0.002 0.000 1.068 245 E CA 0.051 56.452 56.400 0.001 0.000 0.882 245 E CB 0.860 30.563 29.700 0.006 0.000 1.039 245 E HN 0.131 nan 8.360 nan 0.000 0.418 246 K N 1.158 121.558 120.400 -0.001 0.000 2.026 246 K HA -0.161 4.148 4.320 -0.019 0.000 0.208 246 K C 1.921 178.523 176.600 0.005 0.000 1.048 246 K CA 1.851 58.138 56.287 -0.000 0.000 0.929 246 K CB -0.143 32.355 32.500 -0.002 0.000 0.713 246 K HN 0.595 nan 8.250 nan 0.000 0.439 247 T N -0.024 114.533 114.554 0.006 0.000 2.951 247 T HA -0.071 4.267 4.350 -0.019 0.000 0.268 247 T C 1.819 176.532 174.700 0.022 0.000 1.073 247 T CA 0.629 62.736 62.100 0.011 0.000 1.134 247 T CB -0.138 68.733 68.868 0.005 0.000 0.884 247 T HN 0.022 nan 8.240 nan 0.000 0.479 248 L N 1.151 122.387 121.223 0.023 0.000 2.072 248 L HA 0.120 4.449 4.340 -0.019 0.000 0.205 248 L C 2.776 179.669 176.870 0.039 0.000 1.079 248 L CA 1.721 56.586 54.840 0.042 0.000 0.752 248 L CB -1.092 40.995 42.059 0.047 0.000 0.906 248 L HN 0.362 nan 8.230 nan 0.000 0.436 249 Q N -0.772 119.039 119.800 0.018 0.000 2.077 249 Q HA -0.301 4.028 4.340 -0.019 0.000 0.206 249 Q C 2.169 178.174 176.000 0.008 0.000 0.989 249 Q CA 2.418 58.222 55.803 0.002 0.000 0.853 249 Q CB -0.152 28.581 28.738 -0.008 0.000 0.907 249 Q HN 0.669 nan 8.270 nan 0.000 0.418 250 Q N -0.707 119.103 119.800 0.017 0.000 2.084 250 Q HA -0.122 4.207 4.340 -0.019 0.000 0.202 250 Q C 2.060 178.090 176.000 0.049 0.000 0.978 250 Q CA 1.266 57.084 55.803 0.025 0.000 0.844 250 Q CB -0.302 28.451 28.738 0.025 0.000 0.898 250 Q HN 0.578 nan 8.270 nan 0.000 0.426 251 G N 0.956 109.793 108.800 0.061 0.000 2.418 251 G HA2 -0.237 3.711 3.960 -0.019 0.000 0.217 251 G HA3 -0.237 3.711 3.960 -0.019 0.000 0.217 251 G C 1.404 176.375 174.900 0.118 0.000 1.158 251 G CA 0.676 45.833 45.100 0.096 0.000 0.771 251 G HN 0.233 nan 8.290 nan 0.000 0.545 252 I N 0.370 120.992 120.570 0.086 0.000 2.208 252 I HA -0.270 3.888 4.170 -0.019 0.000 0.245 252 I C 3.061 179.215 176.117 0.061 0.000 1.097 252 I CA 1.402 62.741 61.300 0.065 0.000 1.363 252 I CB -0.271 37.711 38.000 -0.030 0.000 1.051 252 I HN 0.255 nan 8.210 nan 0.000 0.413 253 Q N 0.345 120.165 119.800 0.034 0.000 2.084 253 Q HA -0.188 4.140 4.340 -0.019 0.000 0.202 253 Q C 2.359 178.397 176.000 0.064 0.000 0.978 253 Q CA 1.388 57.205 55.803 0.023 0.000 0.844 253 Q CB -0.157 28.582 28.738 0.002 0.000 0.898 253 Q HN 0.536 nan 8.270 nan 0.000 0.426 254 L N -0.114 121.174 121.223 0.107 0.000 2.141 254 L HA -0.119 4.209 4.340 -0.019 0.000 0.209 254 L C 2.352 179.385 176.870 0.272 0.000 1.094 254 L CA 0.753 55.696 54.840 0.172 0.000 0.763 254 L CB -0.439 41.729 42.059 0.182 0.000 0.908 254 L HN 0.209 nan 8.230 nan 0.000 0.437 255 A N -0.893 122.083 122.820 0.260 0.000 2.066 255 A HA -0.143 4.165 4.320 -0.019 0.000 0.218 255 A C 2.050 179.868 177.584 0.391 0.000 1.157 255 A CA 0.912 53.158 52.037 0.349 0.000 0.670 255 A CB -0.182 19.049 19.000 0.385 0.000 0.804 255 A HN 0.448 nan 8.150 nan 0.000 0.453 256 Q N 0.098 120.043 119.800 0.242 0.000 2.319 256 Q HA 0.180 4.509 4.340 -0.019 0.000 0.202 256 Q C -0.091 175.936 176.000 0.045 0.000 0.896 256 Q CA -0.316 55.567 55.803 0.133 0.000 0.942 256 Q CB 0.335 29.073 28.738 0.001 0.000 1.083 256 Q HN 0.502 nan 8.270 nan 0.000 0.510 257 S N 0.929 116.641 115.700 0.019 0.000 2.579 257 S HA 0.184 4.643 4.470 -0.019 0.000 0.275 257 S C 0.065 174.469 174.600 -0.327 0.000 1.345 257 S CA -0.067 57.985 58.200 -0.247 0.000 1.031 257 S CB 0.538 63.444 63.200 -0.490 0.000 0.892 257 S HN 0.236 nan 8.310 nan 0.000 0.529 258 R N 1.530 121.803 120.500 -0.379 0.000 2.204 258 R HA 0.247 4.576 4.340 -0.019 0.000 0.341 258 R C -0.391 175.738 176.300 -0.285 0.000 1.035 258 R CA -0.151 55.838 56.100 -0.184 0.000 0.887 258 R CB 0.419 30.608 30.300 -0.186 0.000 1.114 258 R HN 0.690 nan 8.270 nan 0.000 0.473 259 Y N 0.641 120.950 120.300 0.015 0.000 2.479 259 Y HA 0.143 4.682 4.550 -0.019 0.000 0.283 259 Y C 0.151 175.718 175.900 -0.554 0.000 1.109 259 Y CA 0.345 58.287 58.100 -0.263 0.000 1.239 259 Y CB 0.568 38.901 38.460 -0.212 0.000 1.108 259 Y HN 0.462 nan 8.280 nan 0.000 0.548 260 W N -0.245 121.229 121.300 0.291 0.000 3.107 260 W HA 0.563 5.211 4.660 -0.019 0.000 0.331 260 W C -0.902 175.731 176.519 0.190 0.000 1.204 260 W CA -0.949 56.523 57.345 0.211 0.000 1.184 260 W CB 1.177 30.748 29.460 0.186 0.000 1.421 260 W HN -0.464 nan 8.180 nan 0.000 0.544 261 Q N 1.427 121.433 119.800 0.343 0.000 2.356 261 Q HA 0.635 4.964 4.340 -0.019 0.000 0.270 261 Q C -1.195 174.837 176.000 0.053 0.000 1.058 261 Q CA -0.488 55.353 55.803 0.064 0.000 0.802 261 Q CB 2.477 31.182 28.738 -0.056 0.000 1.303 261 Q HN 0.454 nan 8.270 nan 0.000 0.444 262 T N 2.285 116.819 114.554 -0.033 0.000 2.937 262 T HA 0.616 4.954 4.350 -0.019 0.000 0.297 262 T C 0.403 175.055 174.700 -0.079 0.000 0.991 262 T CA 0.725 62.807 62.100 -0.029 0.000 0.990 262 T CB 0.823 69.695 68.868 0.007 0.000 0.991 262 T HN 1.007 nan 8.240 nan 0.000 0.440 263 G N 5.010 113.765 108.800 -0.075 0.000 2.591 263 G HA2 -0.265 3.684 3.960 -0.019 0.000 0.298 263 G HA3 -0.265 3.684 3.960 -0.019 0.000 0.298 263 G C 0.364 175.186 174.900 -0.130 0.000 1.195 263 G CA 0.634 45.687 45.100 -0.078 0.000 0.989 263 G HN 0.716 nan 8.290 nan 0.000 0.551 264 D N 1.217 121.551 120.400 -0.109 0.000 2.339 264 D HA 0.257 4.885 4.640 -0.019 0.000 0.217 264 D C 1.267 177.465 176.300 -0.170 0.000 1.050 264 D CA 1.128 55.056 54.000 -0.119 0.000 0.856 264 D CB 0.093 40.863 40.800 -0.049 0.000 0.922 264 D HN 0.578 nan 8.370 nan 0.000 0.518 265 M N -0.875 118.607 119.600 -0.196 0.000 2.578 265 M HA 0.532 5.000 4.480 -0.019 0.000 0.321 265 M C -1.408 174.744 176.300 -0.247 0.000 1.182 265 M CA -0.768 54.483 55.300 -0.082 0.000 0.965 265 M CB 1.448 34.110 32.600 0.103 0.000 1.694 265 M HN -0.265 nan 8.290 nan 0.000 0.461 266 Y N 0.184 120.600 120.300 0.193 0.000 2.409 266 Y HA 0.617 5.155 4.550 -0.019 0.000 0.343 266 Y C -0.552 175.514 175.900 0.276 0.000 0.973 266 Y CA -0.632 57.594 58.100 0.211 0.000 1.064 266 Y CB 1.956 40.505 38.460 0.149 0.000 1.207 266 Y HN 0.723 nan 8.280 nan 0.000 0.452 267 Q N 1.798 121.887 119.800 0.482 0.000 2.303 267 Q HA 0.585 4.914 4.340 -0.019 0.000 0.257 267 Q C -0.074 176.232 176.000 0.509 0.000 0.941 267 Q CA -0.253 55.835 55.803 0.476 0.000 0.931 267 Q CB 1.248 30.285 28.738 0.498 0.000 1.215 267 Q HN 0.892 nan 8.270 nan 0.000 0.437 268 G N 2.781 111.851 108.800 0.450 0.000 2.736 268 G HA2 0.485 4.434 3.960 -0.019 0.000 0.229 268 G HA3 0.485 4.434 3.960 -0.019 0.000 0.229 268 G C -0.909 174.175 174.900 0.306 0.000 1.380 268 G CA -0.856 44.536 45.100 0.487 0.000 1.040 268 G HN 0.606 nan 8.290 nan 0.000 0.568 269 L N 1.158 122.535 121.223 0.256 0.000 2.282 269 L HA 0.438 4.767 4.340 -0.019 0.000 0.287 269 L C 1.440 178.367 176.870 0.094 0.000 1.075 269 L CA 0.419 55.279 54.840 0.033 0.000 0.839 269 L CB 0.430 42.492 42.059 0.006 0.000 1.219 269 L HN 1.038 nan 8.230 nan 0.000 0.434 270 G N 2.280 111.105 108.800 0.040 0.000 4.148 270 G HA2 -0.314 3.634 3.960 -0.019 0.000 0.221 270 G HA3 -0.314 3.634 3.960 -0.019 0.000 0.221 270 G C 0.048 174.997 174.900 0.083 0.000 1.373 270 G CA -0.102 45.015 45.100 0.028 0.000 0.940 270 G HN 0.537 nan 8.290 nan 0.000 0.610 271 W N 2.409 123.827 121.300 0.198 0.000 2.158 271 W HA 0.556 5.205 4.660 -0.019 0.000 0.339 271 W C 0.850 177.500 176.519 0.218 0.000 1.294 271 W CA -0.185 57.266 57.345 0.177 0.000 1.231 271 W CB 0.392 29.933 29.460 0.134 0.000 1.143 271 W HN 0.344 nan 8.180 nan 0.000 0.571 272 E N 1.586 122.110 120.200 0.541 0.000 2.277 272 E HA 0.601 4.940 4.350 -0.019 0.000 0.266 272 E C -0.904 175.988 176.600 0.487 0.000 0.901 272 E CA -1.197 55.495 56.400 0.487 0.000 0.782 272 E CB 1.811 31.783 29.700 0.454 0.000 1.228 272 E HN 0.178 nan 8.360 nan 0.000 0.424 273 M N 1.857 121.704 119.600 0.412 0.000 2.446 273 M HA 0.429 4.898 4.480 -0.019 0.000 0.294 273 M C -1.615 174.920 176.300 0.391 0.000 1.158 273 M CA -0.348 55.138 55.300 0.310 0.000 0.899 273 M CB 1.758 34.474 32.600 0.195 0.000 1.687 273 M HN 0.291 nan 8.290 nan 0.000 0.455 274 L N 0.719 122.138 121.223 0.327 0.000 2.354 274 L HA 0.574 4.903 4.340 -0.019 0.000 0.264 274 L C -0.591 176.466 176.870 0.310 0.000 1.008 274 L CA -0.719 54.325 54.840 0.340 0.000 0.819 274 L CB 1.578 43.753 42.059 0.192 0.000 1.339 274 L HN 0.542 nan 8.230 nan 0.000 0.420 275 D N 0.970 121.548 120.400 0.297 0.000 2.458 275 D HA -0.058 4.571 4.640 -0.019 0.000 0.243 275 D C -0.858 175.596 176.300 0.257 0.000 1.146 275 D CA 0.327 54.458 54.000 0.217 0.000 0.877 275 D CB 0.973 41.871 40.800 0.164 0.000 1.176 275 D HN 0.371 nan 8.370 nan 0.000 0.461 276 W N 4.751 126.108 121.300 0.095 0.000 2.417 276 W HA 0.265 4.913 4.660 -0.019 0.000 0.317 276 W C -2.311 174.255 176.519 0.078 0.000 1.121 276 W CA -1.828 55.586 57.345 0.116 0.000 1.208 276 W CB 1.317 30.861 29.460 0.140 0.000 1.253 276 W HN 0.236 nan 8.180 nan 0.000 0.533 277 P HA 0.297 nan 4.420 nan 0.000 0.276 277 P C -0.964 176.003 177.300 -0.555 0.000 1.244 277 P CA 0.012 62.376 63.100 -1.227 0.000 0.801 277 P CB 1.824 32.955 31.700 -0.949 0.000 1.006 278 V N -1.582 118.005 119.914 -0.545 0.000 2.969 278 V HA 0.542 4.650 4.120 -0.019 0.000 0.304 278 V C -0.894 175.061 176.094 -0.231 0.000 1.192 278 V CA -1.212 60.946 62.300 -0.237 0.000 0.962 278 V CB 1.666 33.427 31.823 -0.103 0.000 1.045 278 V HN 0.724 nan 8.190 nan 0.000 0.428 279 N N 3.271 121.766 118.700 -0.341 0.000 2.508 279 N HA 0.577 5.305 4.740 -0.019 0.000 0.285 279 N C -1.791 173.294 175.510 -0.708 0.000 1.144 279 N CA -2.222 50.446 53.050 -0.637 0.000 0.978 279 N CB 1.030 39.206 38.487 -0.519 0.000 1.180 279 N HN 0.423 nan 8.380 nan 0.000 0.484 280 P HA -0.200 nan 4.420 nan 0.000 0.216 280 P C 0.673 177.750 177.300 -0.372 0.000 1.150 280 P CA 1.450 64.165 63.100 -0.642 0.000 0.843 280 P CB 0.103 31.448 31.700 -0.591 0.000 0.787 281 D N -0.072 120.124 120.400 -0.338 0.000 2.178 281 D HA -0.117 4.511 4.640 -0.019 0.000 0.201 281 D C 1.562 177.757 176.300 -0.175 0.000 0.980 281 D CA 1.295 55.166 54.000 -0.215 0.000 0.842 281 D CB -0.987 39.701 40.800 -0.187 0.000 0.948 281 D HN 0.120 nan 8.370 nan 0.000 0.472 282 S N 0.121 115.698 115.700 -0.204 0.000 2.414 282 S HA 0.069 4.528 4.470 -0.019 0.000 0.227 282 S C 2.209 176.731 174.600 -0.130 0.000 1.022 282 S CA 0.234 58.343 58.200 -0.150 0.000 0.958 282 S CB -0.138 62.972 63.200 -0.150 0.000 0.797 282 S HN 0.290 nan 8.310 nan 0.000 0.493 283 I N 1.488 121.941 120.570 -0.196 0.000 2.179 283 I HA -0.192 3.967 4.170 -0.019 0.000 0.242 283 I C 2.041 178.158 176.117 -0.001 0.000 1.088 283 I CA 1.229 62.440 61.300 -0.147 0.000 1.357 283 I CB -0.446 37.362 38.000 -0.320 0.000 1.051 283 I HN 0.221 nan 8.210 nan 0.000 0.409 284 I N 1.090 121.632 120.570 -0.048 0.000 2.127 284 I HA -0.287 3.871 4.170 -0.019 0.000 0.241 284 I C 1.884 177.995 176.117 -0.009 0.000 1.075 284 I CA 1.364 62.653 61.300 -0.018 0.000 1.334 284 I CB -1.306 36.657 38.000 -0.062 0.000 1.040 284 I HN 0.421 nan 8.210 nan 0.000 0.405 290 K N 0.653 121.044 120.400 -0.015 0.000 2.186 290 K HA 0.292 4.601 4.320 -0.019 0.000 0.202 290 K C -0.172 176.429 176.600 0.002 0.000 1.052 290 K CA 0.864 57.148 56.287 -0.004 0.000 0.965 290 K CB 0.223 32.719 32.500 -0.007 0.000 0.746 290 K HN 0.080 nan 8.250 nan 0.000 0.457 291 I N 1.462 122.031 120.570 -0.001 0.000 2.312 291 I HA 0.161 4.319 4.170 -0.019 0.000 0.291 291 I C 0.874 177.002 176.117 0.018 0.000 1.031 291 I CA -0.220 61.086 61.300 0.010 0.000 1.293 291 I CB 1.548 39.553 38.000 0.009 0.000 1.403 291 I HN 0.134 nan 8.210 nan 0.000 0.484 292 A N 6.830 129.667 122.820 0.028 0.000 2.019 292 A HA 0.069 4.378 4.320 -0.019 0.000 0.219 292 A C 0.827 178.447 177.584 0.060 0.000 1.164 292 A CA 1.136 53.197 52.037 0.040 0.000 0.644 292 A CB -0.072 18.950 19.000 0.037 0.000 0.805 292 A HN 0.650 nan 8.150 nan 0.000 0.449 293 L N -1.585 119.675 121.223 0.062 0.000 2.580 293 L HA 0.635 4.963 4.340 -0.019 0.000 0.266 293 L C -1.191 175.725 176.870 0.077 0.000 0.955 293 L CA -0.591 54.300 54.840 0.085 0.000 0.886 293 L CB 1.752 43.867 42.059 0.093 0.000 1.263 293 L HN 0.059 nan 8.230 nan 0.000 0.406 294 A N 4.410 127.275 122.820 0.075 0.000 2.293 294 A HA 0.845 5.153 4.320 -0.019 0.000 0.312 294 A C -0.144 177.483 177.584 0.072 0.000 1.309 294 A CA -0.098 51.974 52.037 0.058 0.000 0.839 294 A CB 1.188 20.205 19.000 0.028 0.000 1.155 294 A HN 0.908 nan 8.150 nan 0.000 0.501 295 A N 3.651 126.520 122.820 0.081 0.000 2.320 295 A HA 0.718 5.026 4.320 -0.019 0.000 0.287 295 A C 0.083 177.610 177.584 -0.096 0.000 1.181 295 A CA -0.456 51.602 52.037 0.034 0.000 0.831 295 A CB 0.335 19.419 19.000 0.140 0.000 1.102 295 A HN 0.680 nan 8.150 nan 0.000 0.513 296 R N 2.613 123.020 120.500 -0.155 0.000 2.532 296 R HA 0.417 4.745 4.340 -0.019 0.000 0.297 296 R C -3.183 172.987 176.300 -0.217 0.000 0.984 296 R CA -2.228 53.785 56.100 -0.146 0.000 0.884 296 R CB 1.562 31.823 30.300 -0.065 0.000 1.182 296 R HN 0.408 nan 8.270 nan 0.000 0.442 297 P HA -0.007 nan 4.420 nan 0.000 0.265 297 P C -0.281 176.960 177.300 -0.098 0.000 1.193 297 P CA -0.129 62.856 63.100 -0.193 0.000 0.765 297 P CB 0.606 32.221 31.700 -0.141 0.000 0.823 298 V N 0.197 120.070 119.914 -0.068 0.000 2.864 298 V HA 0.602 4.710 4.120 -0.019 0.000 0.314 298 V C -0.332 175.880 176.094 0.198 0.000 1.073 298 V CA -1.153 61.189 62.300 0.069 0.000 0.956 298 V CB 2.125 33.979 31.823 0.051 0.000 1.023 298 V HN 0.335 nan 8.190 nan 0.000 0.435 299 K N 2.550 123.111 120.400 0.268 0.000 2.235 299 K HA 0.787 5.095 4.320 -0.019 0.000 0.266 299 K C 0.036 176.860 176.600 0.372 0.000 0.980 299 K CA -0.315 56.129 56.287 0.262 0.000 0.849 299 K CB 1.593 34.179 32.500 0.144 0.000 1.098 299 K HN 1.213 nan 8.250 nan 0.000 0.445 300 A N 5.073 128.070 122.820 0.295 0.000 2.462 300 A HA 0.260 4.568 4.320 -0.019 0.000 0.243 300 A C -0.078 177.450 177.584 -0.094 0.000 1.076 300 A CA -0.250 51.729 52.037 -0.096 0.000 0.773 300 A CB -0.081 18.829 19.000 -0.150 0.000 1.010 300 A HN 0.800 nan 8.150 nan 0.000 0.493 301 I N 2.613 123.059 120.570 -0.207 0.000 2.306 301 I HA 0.212 4.370 4.170 -0.019 0.000 0.288 301 I C -0.207 175.814 176.117 -0.160 0.000 1.036 301 I CA 0.118 61.350 61.300 -0.113 0.000 1.221 301 I CB 1.127 39.084 38.000 -0.071 0.000 1.385 301 I HN 0.522 nan 8.210 nan 0.000 0.472 302 T N 6.686 121.181 114.554 -0.099 0.000 2.912 302 T HA 0.401 4.739 4.350 -0.019 0.000 0.326 302 T C -1.807 172.858 174.700 -0.060 0.000 1.080 302 T CA -0.943 61.106 62.100 -0.086 0.000 1.000 302 T CB 0.935 69.769 68.868 -0.056 0.000 1.008 302 T HN 0.457 nan 8.240 nan 0.000 0.473 303 P HA 0.543 nan 4.420 nan 0.000 0.281 303 P C -3.066 174.152 177.300 -0.138 0.000 1.281 303 P CA -2.164 60.882 63.100 -0.090 0.000 0.811 303 P CB 0.024 31.685 31.700 -0.066 0.000 1.154 304 P HA 0.067 nan 4.420 nan 0.000 0.265 304 P C -0.312 176.826 177.300 -0.271 0.000 1.193 304 P CA 0.425 63.327 63.100 -0.330 0.000 0.765 304 P CB -0.135 31.204 31.700 -0.601 0.000 0.823 305 T N 5.857 120.254 114.554 -0.262 0.000 2.814 305 T HA 0.227 4.565 4.350 -0.019 0.000 0.297 305 T C -2.093 172.473 174.700 -0.224 0.000 0.956 305 T CA -1.015 60.959 62.100 -0.209 0.000 1.123 305 T CB -0.253 68.487 68.868 -0.212 0.000 0.902 305 T HN 0.276 nan 8.240 nan 0.000 0.528 306 P HA 0.190 nan 4.420 nan 0.000 0.270 306 P C -0.444 176.778 177.300 -0.130 0.000 1.223 306 P CA -0.484 62.534 63.100 -0.136 0.000 0.785 306 P CB 0.296 31.940 31.700 -0.094 0.000 0.923 307 A N 2.354 125.112 122.820 -0.103 0.000 2.572 307 A HA 0.028 4.337 4.320 -0.019 0.000 0.256 307 A C 0.198 177.725 177.584 -0.096 0.000 1.041 307 A CA 0.260 52.241 52.037 -0.093 0.000 0.790 307 A CB -0.908 18.052 19.000 -0.067 0.000 0.947 307 A HN 0.369 nan 8.150 nan 0.000 0.518 308 V N 5.996 125.843 119.914 -0.111 0.000 2.432 308 V HA 0.100 4.208 4.120 -0.019 0.000 0.271 308 V C 1.616 177.671 176.094 -0.067 0.000 1.046 308 V CA -0.146 62.098 62.300 -0.094 0.000 0.945 308 V CB 0.749 32.499 31.823 -0.122 0.000 0.992 308 V HN 1.059 nan 8.190 nan 0.000 0.471 309 R N 3.627 124.098 120.500 -0.049 0.000 2.091 309 R HA -0.070 4.259 4.340 -0.019 0.000 0.238 309 R C 1.447 177.738 176.300 -0.016 0.000 1.136 309 R CA 1.424 57.500 56.100 -0.040 0.000 0.959 309 R CB -0.110 30.169 30.300 -0.035 0.000 0.856 309 R HN 0.777 nan 8.270 nan 0.000 0.437 310 A N 1.451 124.286 122.820 0.025 0.000 3.051 310 A HA 0.192 4.501 4.320 -0.019 0.000 0.257 310 A C -0.539 177.137 177.584 0.154 0.000 1.785 310 A CA 0.145 52.251 52.037 0.115 0.000 1.420 310 A CB -0.057 19.023 19.000 0.134 0.000 1.063 310 A HN 0.074 nan 8.150 nan 0.000 0.630 311 S N 0.218 115.969 115.700 0.085 0.000 2.568 311 S HA 0.516 4.974 4.470 -0.019 0.000 0.293 311 S C -0.824 173.825 174.600 0.081 0.000 1.089 311 S CA -0.605 57.658 58.200 0.105 0.000 0.945 311 S CB 1.167 64.352 63.200 -0.025 0.000 1.077 311 S HN 0.672 nan 8.310 nan 0.000 0.485 312 W N 3.746 125.042 121.300 -0.006 0.000 2.357 312 W HA 0.521 5.169 4.660 -0.020 0.000 0.317 312 W C -1.762 174.591 176.519 -0.277 0.000 1.101 312 W CA -0.501 56.762 57.345 -0.137 0.000 1.380 312 W CB 0.420 29.922 29.460 0.071 0.000 1.266 312 W HN 0.325 nan 8.180 nan 0.000 0.419 313 V N 7.704 127.165 119.914 -0.755 0.000 2.394 313 V HA 0.380 4.489 4.120 -0.019 0.000 0.282 313 V C 0.129 175.757 176.094 -0.778 0.000 1.031 313 V CA -0.274 61.529 62.300 -0.829 0.000 0.881 313 V CB 1.122 31.947 31.823 -1.663 0.000 0.982 313 V HN 0.679 nan 8.190 nan 0.000 0.451 317 G N 0.698 109.581 108.800 0.138 0.000 2.706 317 G HA2 0.887 4.835 3.960 -0.019 0.000 0.297 317 G HA3 0.887 4.835 3.960 -0.019 0.000 0.297 317 G C -1.335 173.648 174.900 0.138 0.000 1.403 317 G CA -0.010 45.173 45.100 0.139 0.000 0.954 317 G HN 1.132 nan 8.290 nan 0.000 0.500 318 A N 0.540 123.443 122.820 0.138 0.000 2.574 318 A HA 0.954 5.263 4.320 -0.019 0.000 0.297 318 A C -0.004 177.674 177.584 0.157 0.000 1.062 318 A CA 0.040 52.166 52.037 0.150 0.000 0.686 318 A CB 1.658 20.711 19.000 0.088 0.000 1.285 318 A HN 1.741 nan 8.150 nan 0.000 0.403 319 T N -1.681 113.007 114.554 0.223 0.000 2.807 319 T HA 0.638 4.976 4.350 -0.019 0.000 0.277 319 T C 1.353 176.174 174.700 0.201 0.000 1.006 319 T CA 0.123 62.339 62.100 0.193 0.000 1.006 319 T CB 1.020 70.050 68.868 0.270 0.000 1.274 319 T HN 1.484 nan 8.240 nan 0.000 0.569 320 G N -0.326 108.575 108.800 0.168 0.000 2.469 320 G HA2 0.114 4.063 3.960 -0.019 0.000 0.220 320 G HA3 0.114 4.063 3.960 -0.019 0.000 0.220 320 G C 1.177 176.172 174.900 0.158 0.000 1.136 320 G CA 0.645 45.826 45.100 0.134 0.000 0.759 320 G HN 1.143 nan 8.290 nan 0.000 0.562 321 G N -1.446 107.497 108.800 0.238 0.000 3.192 321 G HA2 0.477 4.425 3.960 -0.019 0.000 0.239 321 G HA3 0.477 4.425 3.960 -0.019 0.000 0.239 321 G C -0.374 174.531 174.900 0.009 0.000 1.084 321 G CA -0.444 44.721 45.100 0.109 0.000 0.784 321 G HN 0.200 nan 8.290 nan 0.000 0.540 322 F N -0.636 119.446 119.950 0.220 0.000 2.599 322 F HA 0.688 5.203 4.527 -0.020 0.000 0.311 322 F C 0.245 176.183 175.800 0.230 0.000 1.076 322 F CA -1.073 57.097 58.000 0.282 0.000 0.937 322 F CB 2.474 41.665 39.000 0.319 0.000 1.282 322 F HN 0.002 nan 8.300 nan 0.000 0.460 323 G N 0.837 109.908 108.800 0.453 0.000 2.737 323 G HA2 0.549 4.497 3.960 -0.019 0.000 0.290 323 G HA3 0.549 4.497 3.960 -0.019 0.000 0.290 323 G C -1.538 173.531 174.900 0.282 0.000 1.482 323 G CA -0.724 44.524 45.100 0.247 0.000 1.017 323 G HN 0.723 nan 8.290 nan 0.000 0.529 324 S N 1.043 116.883 115.700 0.234 0.000 2.600 324 S HA 0.855 5.313 4.470 -0.019 0.000 0.300 324 S C -1.369 173.409 174.600 0.298 0.000 1.087 324 S CA -0.993 57.359 58.200 0.253 0.000 0.965 324 S CB 2.413 65.754 63.200 0.235 0.000 1.089 324 S HN 0.969 nan 8.310 nan 0.000 0.496 325 Y N 0.456 120.850 120.300 0.157 0.000 2.482 325 Y HA 0.615 5.153 4.550 -0.020 0.000 0.334 325 Y C -1.903 174.128 175.900 0.220 0.000 1.091 325 Y CA -0.751 57.454 58.100 0.175 0.000 1.027 325 Y CB 1.641 40.206 38.460 0.175 0.000 1.306 325 Y HN 0.770 nan 8.280 nan 0.000 0.446 326 V N 4.467 124.148 119.914 -0.387 0.000 2.709 326 V HA 0.982 5.091 4.120 -0.019 0.000 0.308 326 V C -0.891 174.969 176.094 -0.391 0.000 1.062 326 V CA -0.278 61.932 62.300 -0.148 0.000 0.901 326 V CB 1.535 33.500 31.823 0.238 0.000 1.003 326 V HN 0.993 nan 8.190 nan 0.000 0.425 327 A N 4.423 127.066 122.820 -0.295 0.000 2.574 327 A HA 1.018 5.326 4.320 -0.019 0.000 0.297 327 A C -1.344 175.953 177.584 -0.478 0.000 1.062 327 A CA -0.510 51.181 52.037 -0.577 0.000 0.686 327 A CB 1.810 20.301 19.000 -0.849 0.000 1.285 327 A HN 1.443 nan 8.150 nan 0.000 0.403 328 F N -0.769 118.731 119.950 -0.751 0.000 2.686 328 F HA 0.858 5.373 4.527 -0.020 0.000 0.311 328 F C -1.329 174.096 175.800 -0.627 0.000 1.128 328 F CA -1.283 56.344 58.000 -0.620 0.000 0.946 328 F CB 1.373 40.074 39.000 -0.498 0.000 1.336 328 F HN 0.306 nan 8.300 nan 0.000 0.457 329 I N 2.359 122.741 120.570 -0.313 0.000 2.495 329 I HA 0.316 4.474 4.170 -0.019 0.000 0.277 329 I C -2.158 173.860 176.117 -0.166 0.000 1.045 329 I CA -1.847 59.236 61.300 -0.361 0.000 1.135 329 I CB 1.867 39.495 38.000 -0.620 0.000 1.241 329 I HN 0.369 nan 8.210 nan 0.000 0.469 330 P HA -0.233 nan 4.420 nan 0.000 0.215 330 P C 1.496 178.742 177.300 -0.090 0.000 1.157 330 P CA 1.325 64.393 63.100 -0.053 0.000 0.874 330 P CB 0.334 32.013 31.700 -0.035 0.000 0.790 331 E N -0.185 119.968 120.200 -0.078 0.000 2.108 331 E HA -0.266 4.072 4.350 -0.019 0.000 0.203 331 E C 1.131 177.685 176.600 -0.076 0.000 1.022 331 E CA 1.545 57.914 56.400 -0.053 0.000 0.823 331 E CB -0.119 29.580 29.700 -0.001 0.000 0.744 331 E HN 0.041 nan 8.360 nan 0.000 0.456 332 K N 0.025 120.351 120.400 -0.122 0.000 2.374 332 K HA 0.042 4.351 4.320 -0.019 0.000 0.196 332 K C -0.181 176.320 176.600 -0.164 0.000 1.023 332 K CA 0.455 56.661 56.287 -0.135 0.000 1.103 332 K CB 0.411 32.811 32.500 -0.167 0.000 0.848 332 K HN 0.258 nan 8.250 nan 0.000 0.528 333 E N 0.379 120.485 120.200 -0.157 0.000 2.586 333 E HA -0.234 4.104 4.350 -0.019 0.000 0.259 333 E C -0.578 175.919 176.600 -0.171 0.000 1.107 333 E CA 0.256 56.554 56.400 -0.169 0.000 0.754 333 E CB -1.642 27.950 29.700 -0.180 0.000 1.335 333 E HN 0.051 nan 8.360 nan 0.000 0.411 334 L N -0.262 120.867 121.223 -0.158 0.000 2.386 334 L HA 0.813 5.141 4.340 -0.019 0.000 0.271 334 L C 0.158 176.958 176.870 -0.117 0.000 0.993 334 L CA 0.238 55.005 54.840 -0.121 0.000 0.819 334 L CB 2.077 44.050 42.059 -0.143 0.000 1.294 334 L HN 0.077 nan 8.230 nan 0.000 0.414 335 G N 3.945 112.705 108.800 -0.066 0.000 2.608 335 G HA2 0.619 4.567 3.960 -0.019 0.000 0.291 335 G HA3 0.619 4.567 3.960 -0.019 0.000 0.291 335 G C -2.210 172.687 174.900 -0.004 0.000 1.425 335 G CA -0.440 44.624 45.100 -0.061 0.000 0.787 335 G HN 0.784 nan 8.290 nan 0.000 0.484 336 I N -0.383 120.194 120.570 0.013 0.000 2.841 336 I HA 0.650 4.808 4.170 -0.019 0.000 0.298 336 I C -1.400 174.792 176.117 0.124 0.000 1.304 336 I CA -0.985 60.370 61.300 0.092 0.000 1.019 336 I CB 2.317 40.391 38.000 0.122 0.000 1.282 336 I HN 0.396 nan 8.210 nan 0.000 0.432 337 V N 7.113 127.133 119.914 0.176 0.000 2.588 337 V HA 0.525 4.633 4.120 -0.019 0.000 0.304 337 V C -0.498 175.729 176.094 0.221 0.000 1.042 337 V CA -0.448 61.971 62.300 0.198 0.000 0.877 337 V CB 1.821 33.767 31.823 0.205 0.000 0.996 337 V HN 0.638 nan 8.190 nan 0.000 0.425 338 M N 6.115 125.860 119.600 0.242 0.000 2.134 338 M HA 0.600 5.069 4.480 -0.019 0.000 0.310 338 M C -1.294 175.106 176.300 0.167 0.000 0.966 338 M CA -0.141 55.297 55.300 0.231 0.000 0.922 338 M CB 1.761 34.546 32.600 0.309 0.000 1.537 338 M HN 0.391 nan 8.290 nan 0.000 0.424 339 L N 2.954 124.172 121.223 -0.009 0.000 2.333 339 L HA 0.979 5.307 4.340 -0.019 0.000 0.280 339 L C -0.381 176.335 176.870 -0.256 0.000 1.004 339 L CA -0.713 53.978 54.840 -0.248 0.000 0.820 339 L CB 1.745 43.309 42.059 -0.824 0.000 1.247 339 L HN 0.789 nan 8.230 nan 0.000 0.416 340 A N 2.012 124.955 122.820 0.206 0.000 2.475 340 A HA 0.590 4.898 4.320 -0.019 0.000 0.301 340 A C -0.426 177.532 177.584 0.623 0.000 1.059 340 A CA -0.753 51.547 52.037 0.439 0.000 0.710 340 A CB 1.324 20.584 19.000 0.433 0.000 1.288 340 A HN 0.752 nan 8.150 nan 0.000 0.408 341 N N 1.139 120.123 118.700 0.473 0.000 2.575 341 N HA 0.171 4.900 4.740 -0.019 0.000 0.275 341 N C -0.462 175.056 175.510 0.012 0.000 1.202 341 N CA -0.104 52.913 53.050 -0.055 0.000 0.945 341 N CB 0.283 38.672 38.487 -0.162 0.000 1.247 341 N HN 0.599 nan 8.380 nan 0.000 0.510 342 K N 0.154 120.659 120.400 0.176 0.000 2.523 342 K HA 0.238 4.547 4.320 -0.019 0.000 0.257 342 K C -1.475 175.315 176.600 0.316 0.000 0.932 342 K CA -0.709 55.701 56.287 0.206 0.000 0.812 342 K CB 1.306 33.926 32.500 0.200 0.000 1.326 342 K HN -0.046 nan 8.250 nan 0.000 0.433 343 N N 3.919 122.759 118.700 0.232 0.000 2.508 343 N HA 0.085 4.813 4.740 -0.019 0.000 0.253 343 N C -1.408 174.204 175.510 0.169 0.000 1.145 343 N CA -0.089 53.069 53.050 0.180 0.000 0.973 343 N CB -0.212 38.357 38.487 0.137 0.000 1.305 343 N HN 0.452 nan 8.380 nan 0.000 0.506 344 Y N 1.319 121.670 120.300 0.085 0.000 2.496 344 Y HA 0.761 5.299 4.550 -0.020 0.000 0.331 344 Y C -2.512 173.414 175.900 0.044 0.000 1.140 344 Y CA -3.232 54.901 58.100 0.055 0.000 1.166 344 Y CB -0.019 38.468 38.460 0.045 0.000 1.249 344 Y HN 0.254 nan 8.280 nan 0.000 0.479 345 P HA -0.024 nan 4.420 nan 0.000 0.262 345 P C -0.034 177.182 177.300 -0.139 0.000 1.182 345 P CA 0.506 63.589 63.100 -0.028 0.000 0.761 345 P CB 0.697 32.425 31.700 0.047 0.000 0.795 346 N N 5.261 123.876 118.700 -0.142 0.000 2.104 346 N HA -0.129 4.600 4.740 -0.019 0.000 0.190 346 N C -0.912 174.521 175.510 -0.129 0.000 1.024 346 N CA 1.828 54.782 53.050 -0.161 0.000 0.853 346 N CB -1.450 36.977 38.487 -0.101 0.000 1.008 346 N HN 0.358 nan 8.380 nan 0.000 0.424 347 P HA -0.087 nan 4.420 nan 0.000 0.216 347 P C 0.821 178.102 177.300 -0.032 0.000 1.150 347 P CA 1.619 64.688 63.100 -0.052 0.000 0.843 347 P CB -0.173 31.508 31.700 -0.032 0.000 0.787 348 A N -0.218 122.612 122.820 0.018 0.000 1.930 348 A HA -0.197 4.111 4.320 -0.019 0.000 0.217 348 A C 2.185 179.835 177.584 0.109 0.000 1.175 348 A CA 1.334 53.428 52.037 0.095 0.000 0.627 348 A CB -0.892 18.235 19.000 0.212 0.000 0.815 348 A HN 0.106 nan 8.150 nan 0.000 0.443 349 R N -0.702 119.810 120.500 0.020 0.000 2.066 349 R HA -0.061 4.267 4.340 -0.019 0.000 0.232 349 R C 2.002 178.144 176.300 -0.263 0.000 1.131 349 R CA 1.463 57.505 56.100 -0.096 0.000 0.955 349 R CB -0.657 29.449 30.300 -0.324 0.000 0.851 349 R HN 0.356 nan 8.270 nan 0.000 0.432 350 V N 1.741 121.459 119.914 -0.326 0.000 2.358 350 V HA -0.222 3.886 4.120 -0.019 0.000 0.246 350 V C 1.618 177.755 176.094 0.072 0.000 1.047 350 V CA 1.891 64.084 62.300 -0.180 0.000 1.035 350 V CB -0.468 31.306 31.823 -0.082 0.000 0.658 350 V HN 0.240 nan 8.190 nan 0.000 0.452 351 D N 0.490 120.912 120.400 0.036 0.000 2.133 351 D HA -0.171 4.458 4.640 -0.019 0.000 0.195 351 D C 2.194 178.608 176.300 0.189 0.000 0.997 351 D CA 1.824 55.879 54.000 0.092 0.000 0.840 351 D CB -0.297 40.526 40.800 0.040 0.000 0.947 351 D HN 0.454 nan 8.370 nan 0.000 0.452 352 A N 0.839 123.748 122.820 0.149 0.000 1.872 352 A HA 0.043 4.352 4.320 -0.019 0.000 0.214 352 A C 2.319 180.036 177.584 0.221 0.000 1.187 352 A CA 2.108 54.235 52.037 0.150 0.000 0.614 352 A CB -0.783 18.276 19.000 0.100 0.000 0.826 352 A HN 0.225 nan 8.150 nan 0.000 0.442 353 A N -1.486 121.511 122.820 0.296 0.000 1.883 353 A HA -0.212 4.096 4.320 -0.019 0.000 0.217 353 A C 2.031 179.929 177.584 0.523 0.000 1.186 353 A CA 1.660 53.961 52.037 0.440 0.000 0.624 353 A CB -0.966 18.457 19.000 0.705 0.000 0.822 353 A HN 0.841 nan 8.150 nan 0.000 0.444 354 W N 0.244 121.771 121.300 0.377 0.000 2.381 354 W HA -0.174 4.474 4.660 -0.020 0.000 0.301 354 W C 2.463 179.120 176.519 0.231 0.000 1.205 354 W CA 1.936 59.475 57.345 0.323 0.000 1.285 354 W CB -0.281 29.217 29.460 0.065 0.000 1.133 354 W HN 0.506 nan 8.180 nan 0.000 0.521 355 Q N 0.273 120.327 119.800 0.423 0.000 2.077 355 Q HA -0.275 4.053 4.340 -0.019 0.000 0.206 355 Q C 2.086 178.104 176.000 0.029 0.000 0.989 355 Q CA 2.962 58.897 55.803 0.219 0.000 0.853 355 Q CB -0.523 28.342 28.738 0.212 0.000 0.907 355 Q HN 0.433 nan 8.270 nan 0.000 0.418 356 I N 0.038 120.647 120.570 0.066 0.000 2.163 356 I HA -0.290 3.868 4.170 -0.019 0.000 0.240 356 I C 2.188 178.292 176.117 -0.022 0.000 1.081 356 I CA 0.905 62.215 61.300 0.016 0.000 1.353 356 I CB -0.198 37.826 38.000 0.040 0.000 1.054 356 I HN 0.278 nan 8.210 nan 0.000 0.407 357 L N 0.300 121.522 121.223 -0.002 0.000 2.056 357 L HA -0.205 4.123 4.340 -0.019 0.000 0.207 357 L C 2.331 179.118 176.870 -0.138 0.000 1.078 357 L CA 1.453 56.266 54.840 -0.047 0.000 0.749 357 L CB -0.802 41.253 42.059 -0.007 0.000 0.901 357 L HN 0.343 nan 8.230 nan 0.000 0.433 358 N N 0.608 119.100 118.700 -0.346 0.000 2.149 358 N HA -0.183 4.545 4.740 -0.019 0.000 0.188 358 N C 1.746 177.146 175.510 -0.184 0.000 1.019 358 N CA 1.580 54.374 53.050 -0.427 0.000 0.857 358 N CB -0.010 37.746 38.487 -1.217 0.000 0.997 358 N HN 0.280 nan 8.380 nan 0.000 0.426 359 A N -0.077 122.655 122.820 -0.147 0.000 1.969 359 A HA 0.024 4.332 4.320 -0.019 0.000 0.218 359 A C 2.023 179.593 177.584 -0.024 0.000 1.169 359 A CA 0.881 52.880 52.037 -0.064 0.000 0.635 359 A CB -0.426 18.543 19.000 -0.051 0.000 0.810 359 A HN 0.377 nan 8.150 nan 0.000 0.445 360 L N -0.619 120.600 121.223 -0.008 0.000 2.585 360 L HA 0.063 4.391 4.340 -0.019 0.000 0.226 360 L C 1.619 178.571 176.870 0.136 0.000 1.113 360 L CA -0.163 54.717 54.840 0.066 0.000 0.876 360 L CB -0.191 41.920 42.059 0.087 0.000 1.072 360 L HN 0.543 nan 8.230 nan 0.000 0.468 361 Q N 0.000 119.842 119.800 0.070 0.000 2.315 361 Q HA 0.000 4.328 4.340 -0.019 0.000 0.214 361 Q CA 0.000 55.852 55.803 0.082 0.000 1.022 361 Q CB 0.000 28.811 28.738 0.122 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481