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 1fsy_1_B 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 INGSDNKIAL AARPVKAITP DATA SEQUENCE PTPAVRASWV HKTGATGGFG SYVAFIPEKE LGIVMLANKN YPNPARVDAA DATA SEQUENCE WQILNALA 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 0.000 177.537 177.584 -0.079 0.000 1.274 4 A CA 0.000 52.065 52.037 0.046 0.000 0.836 4 A CB 0.000 19.024 19.000 0.041 0.000 0.831 5 P HA -0.004 nan 4.420 nan 0.000 0.266 5 P C 0.654 177.870 177.300 -0.139 0.000 1.180 5 P CA 0.107 63.094 63.100 -0.189 0.000 0.765 5 P CB 0.573 32.075 31.700 -0.329 0.000 0.806 6 Q N 2.518 122.265 119.800 -0.089 0.000 2.291 6 Q HA -0.224 4.116 4.340 -0.000 0.000 0.205 6 Q C 1.733 177.688 176.000 -0.076 0.000 0.970 6 Q CA 1.631 57.400 55.803 -0.057 0.000 0.876 6 Q CB -0.060 28.655 28.738 -0.039 0.000 0.935 6 Q HN 0.594 nan 8.270 nan 0.000 0.455 7 Q N -0.020 119.704 119.800 -0.126 0.000 2.050 7 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 7 Q C 2.167 178.067 176.000 -0.166 0.000 0.980 7 Q CA 1.440 57.155 55.803 -0.146 0.000 0.840 7 Q CB -0.042 28.577 28.738 -0.198 0.000 0.898 7 Q HN 0.490 nan 8.270 nan 0.000 0.424 8 I N 0.989 121.418 120.570 -0.235 0.000 2.202 8 I HA -0.267 3.903 4.170 -0.000 0.000 0.242 8 I C 2.065 178.157 176.117 -0.041 0.000 1.091 8 I CA 0.765 61.948 61.300 -0.196 0.000 1.368 8 I CB -0.462 37.344 38.000 -0.323 0.000 1.058 8 I HN 0.258 nan 8.210 nan 0.000 0.410 9 N N 0.897 119.630 118.700 0.055 0.000 2.061 9 N HA -0.258 4.482 4.740 -0.000 0.000 0.193 9 N C 1.523 177.074 175.510 0.067 0.000 1.030 9 N CA 1.967 55.115 53.050 0.163 0.000 0.856 9 N CB -0.546 38.031 38.487 0.151 0.000 1.023 9 N HN 0.396 nan 8.380 nan 0.000 0.424 10 D N 0.427 120.837 120.400 0.017 0.000 2.084 10 D HA -0.105 4.535 4.640 -0.000 0.000 0.194 10 D C 1.905 178.220 176.300 0.024 0.000 0.990 10 D CA 0.628 54.643 54.000 0.024 0.000 0.826 10 D CB -0.177 40.620 40.800 -0.005 0.000 0.971 10 D HN 0.123 nan 8.370 nan 0.000 0.453 11 I N -0.327 120.227 120.570 -0.027 0.000 2.439 11 I HA -0.124 4.045 4.170 -0.000 0.000 0.251 11 I C 2.010 178.092 176.117 -0.058 0.000 1.139 11 I CA 0.745 62.023 61.300 -0.038 0.000 1.438 11 I CB -0.066 37.898 38.000 -0.058 0.000 1.085 11 I HN -0.017 nan 8.210 nan 0.000 0.427 12 V N 0.043 119.884 119.914 -0.121 0.000 2.307 12 V HA -0.309 3.811 4.120 -0.000 0.000 0.245 12 V C 2.480 178.525 176.094 -0.081 0.000 1.045 12 V CA 2.260 64.432 62.300 -0.212 0.000 1.024 12 V CB -1.027 30.389 31.823 -0.679 0.000 0.651 12 V HN 0.561 nan 8.190 nan 0.000 0.449 13 H N 0.677 119.710 119.070 -0.062 0.000 2.321 13 H HA -0.117 4.439 4.556 -0.000 0.000 0.300 13 H C 2.466 177.787 175.328 -0.012 0.000 1.087 13 H CA 1.957 58.038 56.048 0.056 0.000 1.319 13 H CB -0.014 29.810 29.762 0.102 0.000 1.379 13 H HN 0.241 nan 8.280 nan 0.000 0.501 14 R N -0.949 119.580 120.500 0.047 0.000 2.148 14 R HA -0.057 4.283 4.340 -0.000 0.000 0.227 14 R C 1.810 178.057 176.300 -0.088 0.000 1.103 14 R CA 1.608 57.698 56.100 -0.015 0.000 0.983 14 R CB 0.047 30.367 30.300 0.034 0.000 0.874 14 R HN 0.379 nan 8.270 nan 0.000 0.451 15 T N 0.621 115.117 114.554 -0.097 0.000 2.983 15 T HA 0.099 4.449 4.350 -0.000 0.000 0.250 15 T C 1.788 176.388 174.700 -0.165 0.000 1.037 15 T CA 0.395 62.438 62.100 -0.095 0.000 1.142 15 T CB 0.198 69.037 68.868 -0.048 0.000 0.876 15 T HN -0.006 nan 8.240 nan 0.000 0.455 16 I N 2.615 123.033 120.570 -0.254 0.000 2.400 16 I HA -0.062 4.108 4.170 -0.000 0.000 0.248 16 I C 2.961 178.722 176.117 -0.594 0.000 1.109 16 I CA 1.470 62.516 61.300 -0.423 0.000 1.425 16 I CB -1.794 35.858 38.000 -0.580 0.000 1.094 16 I HN 0.395 nan 8.210 nan 0.000 0.425 17 T N -0.059 114.121 114.554 -0.623 0.000 2.720 17 T HA -0.068 4.282 4.350 -0.000 0.000 0.268 17 T C -0.324 174.146 174.700 -0.383 0.000 1.037 17 T CA 1.023 62.763 62.100 -0.601 0.000 1.144 17 T CB -1.874 66.636 68.868 -0.597 0.000 0.864 17 T HN 0.142 nan 8.240 nan 0.000 0.444 18 P HA 0.095 nan 4.420 nan 0.000 0.219 18 P C 1.702 178.886 177.300 -0.192 0.000 1.150 18 P CA 0.277 63.263 63.100 -0.191 0.000 0.814 18 P CB -0.198 31.420 31.700 -0.136 0.000 0.787 19 L N -0.618 120.466 121.223 -0.232 0.000 2.027 19 L HA -0.114 4.226 4.340 -0.000 0.000 0.206 19 L C 2.139 178.830 176.870 -0.298 0.000 1.074 19 L CA 1.787 56.487 54.840 -0.232 0.000 0.745 19 L CB -1.131 40.788 42.059 -0.232 0.000 0.898 19 L HN -0.145 nan 8.230 nan 0.000 0.433 20 I N -0.430 119.925 120.570 -0.357 0.000 2.208 20 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 20 I C 2.618 178.598 176.117 -0.228 0.000 1.097 20 I CA 1.547 62.647 61.300 -0.332 0.000 1.363 20 I CB -0.454 37.310 38.000 -0.393 0.000 1.051 20 I HN 0.452 nan 8.210 nan 0.000 0.413 21 E N 0.935 121.015 120.200 -0.200 0.000 2.047 21 E HA -0.241 4.109 4.350 -0.000 0.000 0.191 21 E C 2.145 178.679 176.600 -0.109 0.000 0.987 21 E CA 1.480 57.801 56.400 -0.133 0.000 0.799 21 E CB -0.047 29.583 29.700 -0.116 0.000 0.752 21 E HN 0.545 nan 8.360 nan 0.000 0.449 22 Q N -0.380 119.351 119.800 -0.116 0.000 2.124 22 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 22 Q C 1.881 177.835 176.000 -0.076 0.000 0.977 22 Q CA 1.218 56.971 55.803 -0.083 0.000 0.850 22 Q CB 0.100 28.792 28.738 -0.076 0.000 0.901 22 Q HN 0.207 nan 8.270 nan 0.000 0.429 23 Q N -0.072 119.655 119.800 -0.122 0.000 2.282 23 Q HA 0.094 4.434 4.340 -0.000 0.000 0.206 23 Q C -0.441 175.508 176.000 -0.084 0.000 0.878 23 Q CA 0.119 55.860 55.803 -0.103 0.000 0.944 23 Q CB 0.802 29.410 28.738 -0.217 0.000 1.100 23 Q HN 0.280 nan 8.270 nan 0.000 0.509 24 K N 0.939 121.283 120.400 -0.092 0.000 3.150 24 K HA -0.171 4.149 4.320 -0.000 0.000 0.267 24 K C -0.480 176.082 176.600 -0.064 0.000 1.028 24 K CA 0.298 56.545 56.287 -0.067 0.000 0.753 24 K CB -2.031 30.447 32.500 -0.036 0.000 1.288 24 K HN 0.273 nan 8.250 nan 0.000 0.473 25 I N 0.951 121.457 120.570 -0.106 0.000 2.436 25 I HA 0.014 4.184 4.170 -0.000 0.000 0.289 25 I C -0.933 175.177 176.117 -0.011 0.000 1.083 25 I CA -2.073 59.187 61.300 -0.067 0.000 1.372 25 I CB 0.721 38.621 38.000 -0.167 0.000 1.408 25 I HN 0.011 nan 8.210 nan 0.000 0.516 26 P HA -0.049 nan 4.420 nan 0.000 0.215 26 P C 0.441 177.820 177.300 0.132 0.000 1.157 26 P CA 0.614 63.735 63.100 0.036 0.000 0.863 26 P CB 0.261 31.918 31.700 -0.072 0.000 0.787 27 G N -1.446 107.493 108.800 0.231 0.000 2.667 27 G HA2 0.692 4.652 3.960 -0.000 0.000 0.298 27 G HA3 0.692 4.652 3.960 -0.000 0.000 0.298 27 G C -1.838 173.328 174.900 0.444 0.000 1.377 27 G CA -0.389 44.912 45.100 0.334 0.000 0.964 27 G HN 0.061 nan 8.290 nan 0.000 0.493 28 M N 1.165 121.056 119.600 0.485 0.000 2.413 28 M HA 0.715 5.195 4.480 -0.000 0.000 0.287 28 M C -1.502 175.115 176.300 0.528 0.000 1.186 28 M CA -0.542 55.023 55.300 0.441 0.000 0.927 28 M CB 2.276 35.041 32.600 0.275 0.000 1.715 28 M HN 1.009 nan 8.290 nan 0.000 0.478 29 A N 3.290 126.287 122.820 0.296 0.000 2.393 29 A HA 0.892 5.212 4.320 -0.000 0.000 0.306 29 A C -1.780 175.989 177.584 0.309 0.000 1.050 29 A CA -0.622 51.600 52.037 0.308 0.000 0.724 29 A CB 1.856 20.981 19.000 0.208 0.000 1.248 29 A HN 0.645 nan 8.150 nan 0.000 0.424 30 V N 0.604 120.788 119.914 0.450 0.000 2.841 30 V HA 0.831 4.951 4.120 -0.000 0.000 0.310 30 V C -0.018 176.368 176.094 0.487 0.000 1.090 30 V CA -0.186 62.384 62.300 0.450 0.000 0.930 30 V CB 1.961 34.099 31.823 0.525 0.000 1.014 30 V HN 1.518 nan 8.190 nan 0.000 0.425 31 A N 3.509 126.551 122.820 0.369 0.000 2.374 31 A HA 0.884 5.204 4.320 -0.000 0.000 0.305 31 A C -1.253 176.461 177.584 0.215 0.000 1.053 31 A CA -0.545 51.650 52.037 0.263 0.000 0.726 31 A CB 1.849 20.965 19.000 0.193 0.000 1.229 31 A HN 0.665 nan 8.150 nan 0.000 0.431 32 V N 3.351 123.404 119.914 0.232 0.000 2.417 32 V HA 0.390 4.510 4.120 -0.000 0.000 0.291 32 V C -0.821 175.391 176.094 0.196 0.000 1.024 32 V CA -0.303 62.131 62.300 0.224 0.000 0.861 32 V CB 1.390 33.380 31.823 0.278 0.000 0.985 32 V HN 0.727 nan 8.190 nan 0.000 0.436 33 I N 5.811 126.456 120.570 0.125 0.000 2.312 33 I HA 0.370 4.540 4.170 -0.000 0.000 0.290 33 I C -0.723 175.501 176.117 0.178 0.000 1.008 33 I CA -0.264 61.090 61.300 0.089 0.000 1.226 33 I CB 0.895 38.877 38.000 -0.030 0.000 1.371 33 I HN 0.581 nan 8.210 nan 0.000 0.468 34 Y N 5.416 125.797 120.300 0.135 0.000 2.338 34 Y HA 0.355 4.905 4.550 0.000 0.000 0.333 34 Y C 0.297 176.249 175.900 0.087 0.000 0.968 34 Y CA -0.911 57.246 58.100 0.096 0.000 1.123 34 Y CB 1.108 39.621 38.460 0.089 0.000 1.165 34 Y HN 0.685 nan 8.280 nan 0.000 0.452 35 Q N 4.559 124.061 119.800 -0.496 0.000 2.457 35 Q HA -0.263 4.076 4.340 -0.000 0.000 0.283 35 Q C 1.106 177.005 176.000 -0.169 0.000 1.234 35 Q CA 1.183 56.755 55.803 -0.384 0.000 0.877 35 Q CB -1.518 26.943 28.738 -0.462 0.000 1.250 35 Q HN 1.383 nan 8.270 nan 0.000 0.481 36 G N -1.093 107.628 108.800 -0.132 0.000 2.212 36 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.266 36 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.266 36 G C 0.030 174.880 174.900 -0.084 0.000 0.978 36 G CA 0.769 45.805 45.100 -0.107 0.000 0.632 36 G HN 0.171 nan 8.290 nan 0.000 0.537 37 K N 1.168 121.541 120.400 -0.044 0.000 2.138 37 K HA 0.543 4.863 4.320 -0.000 0.000 0.263 37 K C -2.568 173.885 176.600 -0.244 0.000 0.965 37 K CA -2.097 54.110 56.287 -0.133 0.000 0.868 37 K CB 2.555 34.982 32.500 -0.122 0.000 1.083 37 K HN 0.190 nan 8.250 nan 0.000 0.443 38 P HA 0.323 nan 4.420 nan 0.000 0.286 38 P C -1.326 175.339 177.300 -1.058 0.000 1.261 38 P CA -0.458 62.282 63.100 -0.601 0.000 0.821 38 P CB 0.627 31.990 31.700 -0.561 0.000 1.013 39 Y N 1.024 121.022 120.300 -0.505 0.000 2.386 39 Y HA 0.417 4.967 4.550 -0.000 0.000 0.334 39 Y C -0.103 175.482 175.900 -0.525 0.000 1.002 39 Y CA -0.462 57.392 58.100 -0.409 0.000 1.068 39 Y CB 1.759 40.154 38.460 -0.108 0.000 1.203 39 Y HN 0.293 nan 8.280 nan 0.000 0.443 40 Y N 2.452 122.570 120.300 -0.303 0.000 2.487 40 Y HA 0.746 5.296 4.550 -0.000 0.000 0.337 40 Y C -0.899 174.557 175.900 -0.740 0.000 1.076 40 Y CA -1.280 56.651 58.100 -0.281 0.000 1.115 40 Y CB 1.685 40.052 38.460 -0.156 0.000 1.235 40 Y HN 0.391 nan 8.280 nan 0.000 0.468 41 F N -0.114 119.894 119.950 0.096 0.000 2.596 41 F HA 0.588 5.115 4.527 -0.000 0.000 0.311 41 F C -0.492 175.073 175.800 -0.392 0.000 1.116 41 F CA -0.912 56.915 58.000 -0.287 0.000 0.957 41 F CB 2.476 41.275 39.000 -0.335 0.000 1.250 41 F HN 0.400 nan 8.300 nan 0.000 0.444 42 T N -1.432 112.825 114.554 -0.496 0.000 2.909 42 T HA 0.698 5.048 4.350 -0.000 0.000 0.299 42 T C -1.651 172.829 174.700 -0.367 0.000 1.073 42 T CA -0.757 61.227 62.100 -0.194 0.000 0.999 42 T CB 1.996 70.856 68.868 -0.013 0.000 1.098 42 T HN 0.607 nan 8.240 nan 0.000 0.477 43 W N 0.233 121.620 121.300 0.144 0.000 3.217 43 W HA 0.511 5.171 4.660 -0.000 0.000 0.323 43 W C 0.750 177.283 176.519 0.022 0.000 1.216 43 W CA -0.103 57.283 57.345 0.068 0.000 1.194 43 W CB 1.625 31.117 29.460 0.053 0.000 1.397 43 W HN 1.402 nan 8.180 nan 0.000 0.537 44 G N 1.228 110.100 108.800 0.121 0.000 2.601 44 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.252 44 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.252 44 G C -1.537 173.264 174.900 -0.166 0.000 1.294 44 G CA -0.350 44.669 45.100 -0.136 0.000 0.912 44 G HN 0.528 nan 8.290 nan 0.000 0.574 45 Y N 0.152 120.541 120.300 0.148 0.000 2.377 45 Y HA 0.568 5.117 4.550 -0.000 0.000 0.339 45 Y C 1.365 177.374 175.900 0.182 0.000 1.011 45 Y CA -0.274 57.908 58.100 0.136 0.000 1.093 45 Y CB 1.939 40.444 38.460 0.076 0.000 1.201 45 Y HN 0.803 nan 8.280 nan 0.000 0.455 46 A N 0.974 124.006 122.820 0.353 0.000 1.975 46 A HA -0.029 4.291 4.320 -0.000 0.000 0.215 46 A C 0.235 178.034 177.584 0.357 0.000 1.170 46 A CA 1.130 53.318 52.037 0.252 0.000 0.656 46 A CB 0.107 19.186 19.000 0.131 0.000 0.821 46 A HN 0.669 nan 8.150 nan 0.000 0.449 47 D N -0.874 119.733 120.400 0.346 0.000 2.473 47 D HA 0.422 5.062 4.640 -0.000 0.000 0.253 47 D C 0.653 177.033 176.300 0.133 0.000 1.233 47 D CA -0.441 53.772 54.000 0.355 0.000 0.908 47 D CB 0.741 41.728 40.800 0.311 0.000 1.170 47 D HN 0.160 nan 8.370 nan 0.000 0.558 48 I N 2.294 122.925 120.570 0.102 0.000 2.142 48 I HA -0.208 3.962 4.170 -0.000 0.000 0.240 48 I C 2.491 178.441 176.117 -0.279 0.000 1.078 48 I CA 1.141 62.307 61.300 -0.224 0.000 1.343 48 I CB -0.171 37.658 38.000 -0.286 0.000 1.046 48 I HN 0.434 nan 8.210 nan 0.000 0.405 49 A N 1.261 123.995 122.820 -0.143 0.000 1.873 49 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 49 A C 2.194 179.691 177.584 -0.145 0.000 1.193 49 A CA 1.867 53.817 52.037 -0.144 0.000 0.629 49 A CB -0.561 18.361 19.000 -0.130 0.000 0.826 49 A HN 0.393 nan 8.150 nan 0.000 0.447 50 K N -0.615 119.723 120.400 -0.103 0.000 2.525 50 K HA 0.075 4.395 4.320 -0.000 0.000 0.192 50 K C -0.257 176.276 176.600 -0.112 0.000 1.029 50 K CA 0.331 56.577 56.287 -0.069 0.000 1.029 50 K CB 0.007 32.510 32.500 0.005 0.000 0.814 50 K HN 0.438 nan 8.250 nan 0.000 0.503 51 K N 1.664 121.894 120.400 -0.284 0.000 3.071 51 K HA -0.166 4.154 4.320 -0.000 0.000 0.262 51 K C -0.757 175.800 176.600 -0.071 0.000 0.977 51 K CA 0.462 56.454 56.287 -0.491 0.000 0.721 51 K CB -0.809 31.514 32.500 -0.295 0.000 1.293 51 K HN 0.190 nan 8.250 nan 0.000 0.475 52 Q N 0.627 120.456 119.800 0.049 0.000 2.314 52 Q HA 0.198 4.538 4.340 -0.000 0.000 0.257 52 Q C -2.138 174.061 176.000 0.332 0.000 0.975 52 Q CA -1.909 54.000 55.803 0.177 0.000 0.933 52 Q CB 0.963 29.788 28.738 0.146 0.000 1.195 52 Q HN 0.191 nan 8.270 nan 0.000 0.426 53 P HA 0.048 nan 4.420 nan 0.000 0.272 53 P C -0.144 177.269 177.300 0.189 0.000 1.223 53 P CA -0.273 62.978 63.100 0.251 0.000 0.784 53 P CB 0.948 32.739 31.700 0.151 0.000 0.923 54 V N 2.990 123.018 119.914 0.189 0.000 2.572 54 V HA 0.213 4.333 4.120 -0.000 0.000 0.291 54 V C 1.257 177.443 176.094 0.154 0.000 1.039 54 V CA 0.719 63.144 62.300 0.209 0.000 1.055 54 V CB 0.507 32.531 31.823 0.335 0.000 0.969 54 V HN 0.877 nan 8.190 nan 0.000 0.482 55 T N 1.640 116.272 114.554 0.130 0.000 2.773 55 T HA 0.343 4.693 4.350 -0.000 0.000 0.278 55 T C 0.449 175.190 174.700 0.068 0.000 1.011 55 T CA -0.735 61.404 62.100 0.065 0.000 1.014 55 T CB 1.648 70.528 68.868 0.019 0.000 1.293 55 T HN 0.451 nan 8.240 nan 0.000 0.554 56 Q N -0.300 119.482 119.800 -0.030 0.000 2.488 56 Q HA 0.028 4.368 4.340 -0.000 0.000 0.211 56 Q C 1.307 177.244 176.000 -0.105 0.000 0.967 56 Q CA 0.685 56.422 55.803 -0.111 0.000 0.926 56 Q CB 0.100 28.672 28.738 -0.277 0.000 0.992 56 Q HN 0.506 nan 8.270 nan 0.000 0.506 57 Q N -0.166 119.588 119.800 -0.078 0.000 2.247 57 Q HA 0.111 4.451 4.340 -0.000 0.000 0.211 57 Q C 0.070 176.049 176.000 -0.035 0.000 0.861 57 Q CA 0.260 55.986 55.803 -0.128 0.000 0.949 57 Q CB 1.012 29.650 28.738 -0.166 0.000 1.115 57 Q HN 0.169 nan 8.270 nan 0.000 0.507 58 T N 2.076 116.656 114.554 0.043 0.000 2.870 58 T HA 0.256 4.606 4.350 -0.000 0.000 0.300 58 T C 0.393 175.130 174.700 0.062 0.000 0.989 58 T CA 0.074 62.188 62.100 0.023 0.000 1.139 58 T CB 0.460 69.319 68.868 -0.015 0.000 0.920 58 T HN 0.071 nan 8.240 nan 0.000 0.537 59 L N 4.079 125.295 121.223 -0.011 0.000 2.292 59 L HA 0.529 4.869 4.340 -0.000 0.000 0.284 59 L C -0.491 176.358 176.870 -0.036 0.000 1.065 59 L CA -0.595 54.254 54.840 0.014 0.000 0.806 59 L CB 0.429 42.416 42.059 -0.121 0.000 1.175 59 L HN 0.528 nan 8.230 nan 0.000 0.431 60 F N 0.499 120.458 119.950 0.015 0.000 2.538 60 F HA 0.360 4.887 4.527 -0.000 0.000 0.325 60 F C 0.487 176.016 175.800 -0.452 0.000 1.066 60 F CA -0.869 57.087 58.000 -0.073 0.000 0.946 60 F CB 1.426 40.537 39.000 0.185 0.000 1.199 60 F HN 0.393 nan 8.300 nan 0.000 0.473 61 E N 2.421 122.029 120.200 -0.987 0.000 2.299 61 E HA 0.136 4.486 4.350 -0.000 0.000 0.272 61 E C 0.549 177.041 176.600 -0.180 0.000 1.043 61 E CA -0.005 56.031 56.400 -0.608 0.000 0.895 61 E CB 0.703 29.953 29.700 -0.749 0.000 1.011 61 E HN 0.608 nan 8.360 nan 0.000 0.432 62 L N 3.023 124.226 121.223 -0.034 0.000 2.395 62 L HA 0.055 4.395 4.340 -0.000 0.000 0.218 62 L C 1.409 178.366 176.870 0.146 0.000 1.130 62 L CA 0.490 55.385 54.840 0.092 0.000 0.826 62 L CB -0.869 41.250 42.059 0.101 0.000 0.941 62 L HN 0.891 nan 8.230 nan 0.000 0.451 63 G N 0.285 109.172 108.800 0.144 0.000 2.566 63 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.280 63 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.280 63 G C 0.761 175.803 174.900 0.238 0.000 1.225 63 G CA 0.256 45.479 45.100 0.205 0.000 0.966 63 G HN 0.174 nan 8.290 nan 0.000 0.560 64 S N -0.322 115.525 115.700 0.244 0.000 2.537 64 S HA 0.020 4.489 4.470 -0.000 0.000 0.240 64 S C 2.362 177.094 174.600 0.219 0.000 0.981 64 S CA 1.246 59.605 58.200 0.266 0.000 0.948 64 S CB -0.146 63.254 63.200 0.333 0.000 0.759 64 S HN 0.767 nan 8.310 nan 0.000 0.531 65 V N 1.535 121.567 119.914 0.196 0.000 2.867 65 V HA -0.132 3.988 4.120 -0.000 0.000 0.260 65 V C 2.094 178.307 176.094 0.199 0.000 1.099 65 V CA 1.417 63.814 62.300 0.163 0.000 1.122 65 V CB -0.733 31.211 31.823 0.202 0.000 0.708 65 V HN 0.459 nan 8.190 nan 0.000 0.490 66 S N -0.293 115.545 115.700 0.231 0.000 2.419 66 S HA -0.210 4.259 4.470 -0.000 0.000 0.233 66 S C 1.899 176.654 174.600 0.258 0.000 1.016 66 S CA 1.168 59.533 58.200 0.275 0.000 0.974 66 S CB -0.248 63.047 63.200 0.159 0.000 0.786 66 S HN 0.635 nan 8.310 nan 0.000 0.492 67 K N 0.953 121.461 120.400 0.179 0.000 2.280 67 K HA -0.094 4.226 4.320 -0.000 0.000 0.202 67 K C 2.397 179.033 176.600 0.059 0.000 1.047 67 K CA 1.566 57.941 56.287 0.147 0.000 0.942 67 K CB -0.403 32.208 32.500 0.185 0.000 0.739 67 K HN 0.610 nan 8.250 nan 0.000 0.457 68 T N -1.568 112.933 114.554 -0.089 0.000 2.904 68 T HA -0.063 4.287 4.350 -0.000 0.000 0.267 68 T C 1.710 176.425 174.700 0.025 0.000 1.059 68 T CA 0.669 62.545 62.100 -0.374 0.000 1.137 68 T CB -0.291 67.922 68.868 -1.092 0.000 0.879 68 T HN 0.016 nan 8.240 nan 0.000 0.467 69 F N 2.140 122.134 119.950 0.073 0.000 2.163 69 F HA 0.076 4.603 4.527 0.000 0.000 0.297 69 F C 2.980 178.835 175.800 0.092 0.000 1.094 69 F CA 1.223 59.228 58.000 0.008 0.000 1.290 69 F CB -0.996 37.887 39.000 -0.195 0.000 1.017 69 F HN 0.121 nan 8.300 nan 0.000 0.483 70 T N -0.519 114.230 114.554 0.325 0.000 2.746 70 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 70 T C 2.362 177.245 174.700 0.306 0.000 1.039 70 T CA 1.439 63.736 62.100 0.327 0.000 1.142 70 T CB -1.027 68.023 68.868 0.304 0.000 0.866 70 T HN 0.442 nan 8.240 nan 0.000 0.444 71 G N 0.970 109.923 108.800 0.255 0.000 2.421 71 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.216 71 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.216 71 G C 1.704 176.767 174.900 0.272 0.000 1.171 71 G CA 0.843 46.092 45.100 0.249 0.000 0.775 71 G HN 0.436 nan 8.290 nan 0.000 0.543 72 V N 0.629 120.713 119.914 0.285 0.000 2.427 72 V HA -0.110 4.010 4.120 -0.000 0.000 0.248 72 V C 2.679 178.897 176.094 0.207 0.000 1.051 72 V CA 1.551 64.027 62.300 0.293 0.000 1.048 72 V CB -0.359 31.738 31.823 0.456 0.000 0.666 72 V HN 0.342 nan 8.190 nan 0.000 0.456 73 L N 1.306 122.627 121.223 0.163 0.000 2.083 73 L HA -0.015 4.325 4.340 -0.000 0.000 0.209 73 L C 2.308 179.196 176.870 0.029 0.000 1.083 73 L CA 2.386 57.245 54.840 0.032 0.000 0.752 73 L CB -1.225 40.781 42.059 -0.088 0.000 0.899 73 L HN 0.265 nan 8.230 nan 0.000 0.433 74 G N -1.189 107.679 108.800 0.113 0.000 2.402 74 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.216 74 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.216 74 G C 1.524 176.522 174.900 0.164 0.000 1.162 74 G CA 0.523 45.691 45.100 0.114 0.000 0.777 74 G HN 0.580 nan 8.290 nan 0.000 0.539 75 G N 0.735 109.651 108.800 0.193 0.000 2.440 75 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 75 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 75 G C 1.449 176.407 174.900 0.096 0.000 1.154 75 G CA 1.403 46.596 45.100 0.155 0.000 0.767 75 G HN 0.510 nan 8.290 nan 0.000 0.552 76 D N 0.522 120.967 120.400 0.075 0.000 2.144 76 D HA 0.036 4.676 4.640 -0.000 0.000 0.199 76 D C 2.625 178.931 176.300 0.009 0.000 0.984 76 D CA 1.451 55.472 54.000 0.037 0.000 0.834 76 D CB -0.264 40.550 40.800 0.023 0.000 0.955 76 D HN 0.252 nan 8.370 nan 0.000 0.465 77 A N -0.050 122.764 122.820 -0.010 0.000 1.930 77 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 77 A C 2.316 179.895 177.584 -0.008 0.000 1.175 77 A CA 0.955 52.970 52.037 -0.037 0.000 0.627 77 A CB -0.681 18.261 19.000 -0.098 0.000 0.815 77 A HN 0.383 nan 8.150 nan 0.000 0.443 78 I N -0.217 120.367 120.570 0.025 0.000 2.202 78 I HA -0.255 3.915 4.170 -0.000 0.000 0.242 78 I C 2.948 179.090 176.117 0.041 0.000 1.091 78 I CA 1.044 62.372 61.300 0.046 0.000 1.368 78 I CB -0.337 37.711 38.000 0.080 0.000 1.058 78 I HN 0.333 nan 8.210 nan 0.000 0.410 79 A N 0.824 123.668 122.820 0.040 0.000 1.978 79 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 79 A C 2.294 179.889 177.584 0.019 0.000 1.170 79 A CA 1.452 53.508 52.037 0.031 0.000 0.636 79 A CB -0.574 18.445 19.000 0.031 0.000 0.810 79 A HN 0.357 nan 8.150 nan 0.000 0.448 80 R N -1.349 119.158 120.500 0.012 0.000 2.323 80 R HA 0.152 4.492 4.340 -0.000 0.000 0.198 80 R C 1.309 177.615 176.300 0.011 0.000 0.988 80 R CA 0.502 56.605 56.100 0.004 0.000 1.041 80 R CB -0.226 30.069 30.300 -0.009 0.000 0.926 80 R HN 0.692 nan 8.270 nan 0.000 0.476 81 G N 1.224 110.036 108.800 0.020 0.000 2.153 81 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.252 81 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.252 81 G C 0.525 175.447 174.900 0.037 0.000 0.994 81 G CA 0.641 45.759 45.100 0.030 0.000 0.698 81 G HN 0.462 nan 8.290 nan 0.000 0.521 82 E N -0.643 119.572 120.200 0.025 0.000 2.170 82 E HA 0.249 4.599 4.350 -0.000 0.000 0.191 82 E C 1.532 178.173 176.600 0.068 0.000 0.981 82 E CA 1.126 57.546 56.400 0.033 0.000 0.830 82 E CB 0.175 29.870 29.700 -0.009 0.000 0.775 82 E HN 0.906 nan 8.360 nan 0.000 0.470 83 I N -2.779 117.809 120.570 0.030 0.000 3.174 83 I HA 0.504 4.674 4.170 -0.000 0.000 0.313 83 I C -1.312 174.853 176.117 0.080 0.000 1.155 83 I CA -1.265 60.056 61.300 0.035 0.000 0.977 83 I CB 2.284 40.140 38.000 -0.240 0.000 1.248 83 I HN -0.361 nan 8.210 nan 0.000 0.453 84 K N 2.410 122.892 120.400 0.136 0.000 2.427 84 K HA 0.500 4.820 4.320 -0.000 0.000 0.252 84 K C 0.033 176.708 176.600 0.124 0.000 0.931 84 K CA -0.751 55.609 56.287 0.121 0.000 0.793 84 K CB 2.912 35.489 32.500 0.128 0.000 1.211 84 K HN 0.615 nan 8.250 nan 0.000 0.426 85 L N 1.032 122.308 121.223 0.088 0.000 2.275 85 L HA -0.145 4.195 4.340 -0.000 0.000 0.215 85 L C 1.964 178.859 176.870 0.043 0.000 1.119 85 L CA 1.232 56.103 54.840 0.051 0.000 0.790 85 L CB -0.238 41.799 42.059 -0.038 0.000 0.919 85 L HN 0.699 nan 8.230 nan 0.000 0.443 86 S N -2.586 113.151 115.700 0.062 0.000 2.561 86 S HA -0.001 4.469 4.470 -0.000 0.000 0.225 86 S C 0.576 175.236 174.600 0.101 0.000 0.977 86 S CA -0.206 58.029 58.200 0.059 0.000 0.926 86 S CB -0.331 62.902 63.200 0.056 0.000 0.769 86 S HN 0.218 nan 8.310 nan 0.000 0.533 87 D N 3.509 124.003 120.400 0.157 0.000 2.341 87 D HA 0.391 5.031 4.640 -0.000 0.000 0.245 87 D C -2.622 173.813 176.300 0.226 0.000 1.106 87 D CA -1.772 52.348 54.000 0.200 0.000 0.905 87 D CB 0.800 41.794 40.800 0.324 0.000 1.202 87 D HN 0.128 nan 8.370 nan 0.000 0.426 88 P HA 0.054 nan 4.420 nan 0.000 0.269 88 P C 0.721 178.174 177.300 0.253 0.000 1.209 88 P CA -0.036 63.185 63.100 0.202 0.000 0.776 88 P CB 0.580 32.363 31.700 0.137 0.000 0.876 89 T N 0.410 115.140 114.554 0.293 0.000 2.803 89 T HA -0.123 4.227 4.350 -0.000 0.000 0.269 89 T C 1.499 176.327 174.700 0.212 0.000 1.052 89 T CA 1.834 64.109 62.100 0.292 0.000 1.136 89 T CB -0.794 68.252 68.868 0.297 0.000 0.864 89 T HN 0.470 nan 8.240 nan 0.000 0.467 90 T N 1.330 115.963 114.554 0.133 0.000 3.051 90 T HA -0.013 4.337 4.350 -0.000 0.000 0.269 90 T C 1.813 176.515 174.700 0.002 0.000 1.127 90 T CA 0.765 62.892 62.100 0.046 0.000 1.107 90 T CB -0.091 68.793 68.868 0.026 0.000 0.898 90 T HN 0.431 nan 8.240 nan 0.000 0.517 91 K N 0.300 120.657 120.400 -0.071 0.000 2.148 91 K HA -0.090 4.230 4.320 -0.000 0.000 0.204 91 K C 0.947 177.252 176.600 -0.491 0.000 1.050 91 K CA 1.297 57.380 56.287 -0.339 0.000 0.942 91 K CB -0.031 32.128 32.500 -0.568 0.000 0.724 91 K HN 0.446 nan 8.250 nan 0.000 0.446 92 Y N -2.590 117.748 120.300 0.063 0.000 2.467 92 Y HA 0.141 4.691 4.550 -0.000 0.000 0.250 92 Y C 0.106 176.065 175.900 0.098 0.000 1.155 92 Y CA -0.673 57.451 58.100 0.040 0.000 1.249 92 Y CB 0.570 39.024 38.460 -0.011 0.000 1.146 92 Y HN 0.115 nan 8.280 nan 0.000 0.524 93 W N 2.489 123.783 121.300 -0.011 0.000 1.949 93 W HA 0.419 5.079 4.660 -0.000 0.000 0.299 93 W C -2.553 173.911 176.519 -0.092 0.000 0.959 93 W CA -3.699 53.603 57.345 -0.072 0.000 1.665 93 W CB 0.919 30.292 29.460 -0.144 0.000 1.829 93 W HN -0.099 nan 8.180 nan 0.000 0.375 94 P HA -0.224 nan 4.420 nan 0.000 0.217 94 P C 1.085 178.349 177.300 -0.061 0.000 1.148 94 P CA 2.113 65.225 63.100 0.020 0.000 0.828 94 P CB 0.370 32.089 31.700 0.032 0.000 0.783 95 E N -1.153 119.000 120.200 -0.078 0.000 2.338 95 E HA -0.089 4.261 4.350 -0.000 0.000 0.197 95 E C 0.450 176.780 176.600 -0.450 0.000 1.007 95 E CA 0.101 56.378 56.400 -0.205 0.000 0.849 95 E CB -0.371 29.271 29.700 -0.096 0.000 0.774 95 E HN 0.147 nan 8.360 nan 0.000 0.506 96 L N 2.017 122.836 121.223 -0.674 0.000 2.395 96 L HA 0.041 4.381 4.340 -0.000 0.000 0.268 96 L C 1.000 177.663 176.870 -0.344 0.000 1.223 96 L CA 0.456 54.847 54.840 -0.750 0.000 1.093 96 L CB 0.015 41.424 42.059 -1.084 0.000 1.349 96 L HN -0.050 nan 8.230 nan 0.000 0.427 97 T N -0.556 113.878 114.554 -0.201 0.000 3.060 97 T HA 0.348 4.698 4.350 -0.000 0.000 0.249 97 T C 0.917 175.636 174.700 0.031 0.000 1.079 97 T CA 0.215 62.279 62.100 -0.060 0.000 1.013 97 T CB 0.010 68.846 68.868 -0.054 0.000 0.975 97 T HN 0.510 nan 8.240 nan 0.000 0.518 98 A N 2.820 125.687 122.820 0.080 0.000 2.540 98 A HA 0.279 4.598 4.320 -0.000 0.000 0.239 98 A C 1.684 179.388 177.584 0.199 0.000 1.061 98 A CA -0.087 52.043 52.037 0.156 0.000 0.758 98 A CB 0.233 19.368 19.000 0.225 0.000 0.991 98 A HN 0.635 nan 8.150 nan 0.000 0.502 99 K N 1.894 122.353 120.400 0.098 0.000 2.211 99 K HA -0.244 4.076 4.320 -0.000 0.000 0.204 99 K C 1.389 178.018 176.600 0.048 0.000 1.047 99 K CA 1.644 57.971 56.287 0.067 0.000 0.935 99 K CB -0.120 32.392 32.500 0.019 0.000 0.728 99 K HN 0.830 nan 8.250 nan 0.000 0.452 100 Q N 0.302 120.098 119.800 -0.006 0.000 2.437 100 Q HA -0.149 4.191 4.340 -0.000 0.000 0.210 100 Q C 0.812 176.699 176.000 -0.188 0.000 0.972 100 Q CA 1.086 56.791 55.803 -0.164 0.000 0.903 100 Q CB -0.406 28.117 28.738 -0.358 0.000 0.967 100 Q HN 0.598 nan 8.270 nan 0.000 0.486 101 W N 1.539 122.893 121.300 0.090 0.000 3.139 101 W HA 0.220 4.879 4.660 -0.000 0.000 0.260 101 W C 0.540 177.123 176.519 0.107 0.000 1.312 101 W CA -0.636 56.787 57.345 0.129 0.000 1.606 101 W CB 0.196 29.712 29.460 0.093 0.000 1.118 101 W HN -0.012 nan 8.180 nan 0.000 0.675 102 N N 0.825 119.655 118.700 0.217 0.000 2.440 102 N HA 0.124 4.864 4.740 -0.000 0.000 0.265 102 N C 1.083 176.682 175.510 0.147 0.000 1.239 102 N CA 1.786 54.934 53.050 0.163 0.000 0.909 102 N CB 0.863 39.412 38.487 0.103 0.000 1.066 102 N HN 0.311 nan 8.380 nan 0.000 0.474 103 G N 2.744 111.652 108.800 0.181 0.000 2.213 103 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.236 103 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.236 103 G C 0.234 175.306 174.900 0.288 0.000 0.991 103 G CA -0.382 44.835 45.100 0.195 0.000 0.629 103 G HN 0.572 nan 8.290 nan 0.000 0.517 104 I N 3.101 123.862 120.570 0.317 0.000 2.312 104 I HA 0.400 4.570 4.170 -0.000 0.000 0.291 104 I C 1.181 177.606 176.117 0.513 0.000 1.031 104 I CA 0.218 61.789 61.300 0.452 0.000 1.293 104 I CB 1.101 39.321 38.000 0.367 0.000 1.403 104 I HN 0.321 nan 8.210 nan 0.000 0.484 105 T N 3.025 117.921 114.554 0.571 0.000 2.923 105 T HA 0.459 4.809 4.350 -0.000 0.000 0.281 105 T C 1.195 176.020 174.700 0.208 0.000 0.995 105 T CA -0.885 61.367 62.100 0.253 0.000 0.985 105 T CB 1.468 70.359 68.868 0.039 0.000 1.114 105 T HN 0.420 nan 8.240 nan 0.000 0.548 106 L N 0.312 121.649 121.223 0.189 0.000 2.131 106 L HA -0.019 4.321 4.340 -0.000 0.000 0.210 106 L C 2.515 179.399 176.870 0.024 0.000 1.092 106 L CA 0.843 55.811 54.840 0.214 0.000 0.759 106 L CB -0.797 41.425 42.059 0.272 0.000 0.903 106 L HN 0.593 nan 8.230 nan 0.000 0.435 107 L N -0.592 120.578 121.223 -0.088 0.000 2.012 107 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 107 L C 2.708 179.524 176.870 -0.089 0.000 1.073 107 L CA 1.920 56.635 54.840 -0.207 0.000 0.748 107 L CB -0.827 41.113 42.059 -0.198 0.000 0.891 107 L HN 0.233 nan 8.230 nan 0.000 0.431 108 H N -0.205 118.935 119.070 0.117 0.000 2.352 108 H HA -0.125 4.431 4.556 -0.000 0.000 0.299 108 H C 2.380 177.715 175.328 0.011 0.000 1.097 108 H CA 2.073 58.184 56.048 0.106 0.000 1.311 108 H CB -0.488 29.359 29.762 0.142 0.000 1.377 108 H HN 0.378 nan 8.280 nan 0.000 0.504 109 L N 0.045 121.362 121.223 0.156 0.000 2.017 109 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 109 L C 2.830 179.630 176.870 -0.117 0.000 1.073 109 L CA 1.020 55.916 54.840 0.093 0.000 0.745 109 L CB -0.560 41.620 42.059 0.201 0.000 0.894 109 L HN 0.205 nan 8.230 nan 0.000 0.432 110 A N -0.308 122.261 122.820 -0.419 0.000 2.067 110 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 110 A C 2.042 179.222 177.584 -0.673 0.000 1.158 110 A CA 1.946 53.485 52.037 -0.831 0.000 0.661 110 A CB -0.649 17.376 19.000 -1.625 0.000 0.801 110 A HN 0.525 nan 8.150 nan 0.000 0.452 111 T N -6.306 107.963 114.554 -0.474 0.000 3.129 111 T HA 0.325 4.675 4.350 -0.000 0.000 0.267 111 T C 0.284 174.755 174.700 -0.381 0.000 1.018 111 T CA 0.217 62.056 62.100 -0.436 0.000 0.903 111 T CB -0.823 68.080 68.868 0.059 0.000 1.067 111 T HN 0.683 nan 8.240 nan 0.000 0.549 112 Y N 0.954 121.244 120.300 -0.016 0.000 4.177 112 Y HA -0.278 4.272 4.550 0.000 0.000 0.227 112 Y C 1.130 176.994 175.900 -0.061 0.000 1.154 112 Y CA 0.550 58.640 58.100 -0.016 0.000 1.887 112 Y CB -2.953 35.517 38.460 0.017 0.000 1.594 112 Y HN 0.588 nan 8.280 nan 0.000 0.668 113 T N -4.117 110.428 114.554 -0.015 0.000 3.215 113 T HA 0.664 5.014 4.350 -0.000 0.000 0.271 113 T C 1.325 175.991 174.700 -0.057 0.000 1.012 113 T CA 0.128 62.136 62.100 -0.154 0.000 0.899 113 T CB 0.827 69.345 68.868 -0.583 0.000 1.089 113 T HN 0.483 nan 8.240 nan 0.000 0.552 114 A N 1.294 124.143 122.820 0.049 0.000 2.119 114 A HA 0.573 4.893 4.320 -0.000 0.000 0.217 114 A C 1.865 179.511 177.584 0.104 0.000 1.153 114 A CA 0.590 52.640 52.037 0.022 0.000 0.692 114 A CB -0.764 18.254 19.000 0.031 0.000 0.799 114 A HN 1.462 nan 8.150 nan 0.000 0.458 115 G N -3.072 105.866 108.800 0.231 0.000 2.247 115 G HA2 0.404 4.364 3.960 -0.000 0.000 0.111 115 G HA3 0.404 4.364 3.960 -0.000 0.000 0.111 115 G C 0.977 176.198 174.900 0.536 0.000 1.045 115 G CA 0.355 45.691 45.100 0.394 0.000 0.715 115 G HN 1.963 nan 8.290 nan 0.000 0.485 116 G N -0.947 108.197 108.800 0.572 0.000 2.135 116 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.183 116 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.183 116 G C 0.479 175.645 174.900 0.443 0.000 1.004 116 G CA 0.006 45.387 45.100 0.468 0.000 0.677 116 G HN 1.257 nan 8.290 nan 0.000 0.512 117 L N 2.034 123.375 121.223 0.197 0.000 2.514 117 L HA 0.237 4.577 4.340 -0.000 0.000 0.280 117 L C -0.826 176.103 176.870 0.098 0.000 1.223 117 L CA -1.161 53.574 54.840 -0.176 0.000 0.864 117 L CB 0.360 42.246 42.059 -0.288 0.000 1.118 117 L HN 0.095 nan 8.230 nan 0.000 0.494 118 P HA -0.050 nan 4.420 nan 0.000 0.271 118 P C 0.528 177.901 177.300 0.122 0.000 1.218 118 P CA -0.468 62.735 63.100 0.173 0.000 0.780 118 P CB 1.041 32.879 31.700 0.230 0.000 0.901 119 L N 2.118 123.402 121.223 0.102 0.000 2.021 119 L HA -0.162 4.178 4.340 -0.000 0.000 0.215 119 L C 0.921 177.820 176.870 0.049 0.000 1.074 119 L CA 2.084 56.962 54.840 0.064 0.000 0.760 119 L CB -0.767 41.343 42.059 0.086 0.000 0.889 119 L HN 0.471 nan 8.230 nan 0.000 0.433 120 Q N -1.340 118.492 119.800 0.054 0.000 2.377 120 Q HA 0.493 4.833 4.340 -0.000 0.000 0.271 120 Q C -1.126 174.860 176.000 -0.024 0.000 1.077 120 Q CA -0.982 54.835 55.803 0.025 0.000 0.820 120 Q CB 2.688 31.430 28.738 0.007 0.000 1.347 120 Q HN -0.044 nan 8.270 nan 0.000 0.444 121 V N 3.234 123.088 119.914 -0.101 0.000 2.530 121 V HA 0.192 4.312 4.120 -0.000 0.000 0.282 121 V C -2.080 173.831 176.094 -0.304 0.000 1.048 121 V CA -1.418 60.651 62.300 -0.385 0.000 0.997 121 V CB 0.622 32.230 31.823 -0.358 0.000 0.987 121 V HN 0.681 nan 8.190 nan 0.000 0.477 122 P HA -0.012 nan 4.420 nan 0.000 0.265 122 P C 0.611 177.826 177.300 -0.142 0.000 1.187 122 P CA 0.209 63.200 63.100 -0.182 0.000 0.766 122 P CB 0.471 32.083 31.700 -0.147 0.000 0.820 123 D N 1.926 122.285 120.400 -0.067 0.000 2.149 123 D HA -0.210 4.430 4.640 -0.000 0.000 0.198 123 D C 1.072 177.350 176.300 -0.037 0.000 0.990 123 D CA 1.493 55.470 54.000 -0.038 0.000 0.839 123 D CB 0.041 40.834 40.800 -0.012 0.000 0.948 123 D HN 0.367 nan 8.370 nan 0.000 0.460 124 E N -0.591 119.587 120.200 -0.037 0.000 2.409 124 E HA 0.034 4.384 4.350 -0.000 0.000 0.198 124 E C 0.019 176.601 176.600 -0.030 0.000 1.024 124 E CA 0.085 56.473 56.400 -0.021 0.000 0.861 124 E CB 0.257 29.954 29.700 -0.005 0.000 0.788 124 E HN 0.139 nan 8.360 nan 0.000 0.521 125 V N 1.555 121.424 119.914 -0.075 0.000 2.455 125 V HA 0.067 4.187 4.120 -0.000 0.000 0.273 125 V C 0.852 176.917 176.094 -0.048 0.000 1.045 125 V CA 0.446 62.700 62.300 -0.077 0.000 0.976 125 V CB 1.222 32.924 31.823 -0.202 0.000 0.993 125 V HN 0.153 nan 8.190 nan 0.000 0.475 126 K N 2.088 122.482 120.400 -0.011 0.000 2.585 126 K HA 0.162 4.482 4.320 -0.000 0.000 0.198 126 K C 0.918 177.524 176.600 0.010 0.000 1.403 126 K CA 0.242 56.527 56.287 -0.003 0.000 1.021 126 K CB 0.510 33.012 32.500 0.004 0.000 1.558 126 K HN 0.680 nan 8.250 nan 0.000 0.524 127 S N 0.790 116.505 115.700 0.025 0.000 2.645 127 S HA 0.066 4.536 4.470 -0.000 0.000 0.266 127 S C 1.317 175.952 174.600 0.059 0.000 1.258 127 S CA -0.053 58.168 58.200 0.035 0.000 0.990 127 S CB 1.488 64.712 63.200 0.039 0.000 0.967 127 S HN 0.242 nan 8.310 nan 0.000 0.556 128 S N 1.041 116.776 115.700 0.058 0.000 2.402 128 S HA -0.108 4.362 4.470 -0.000 0.000 0.229 128 S C 1.807 176.497 174.600 0.149 0.000 1.021 128 S CA 1.165 59.417 58.200 0.087 0.000 0.974 128 S CB -1.134 62.099 63.200 0.056 0.000 0.800 128 S HN 0.652 nan 8.310 nan 0.000 0.484 129 S N 2.075 117.844 115.700 0.115 0.000 2.387 129 S HA -0.058 4.412 4.470 -0.000 0.000 0.226 129 S C 1.535 176.218 174.600 0.138 0.000 1.026 129 S CA 1.165 59.439 58.200 0.123 0.000 0.972 129 S CB -0.547 62.703 63.200 0.084 0.000 0.814 129 S HN 0.528 nan 8.310 nan 0.000 0.477 130 D N 1.312 121.783 120.400 0.118 0.000 2.123 130 D HA -0.061 4.579 4.640 -0.000 0.000 0.196 130 D C 1.852 178.265 176.300 0.188 0.000 0.992 130 D CA 0.644 54.716 54.000 0.119 0.000 0.833 130 D CB -0.373 40.470 40.800 0.072 0.000 0.954 130 D HN 0.160 nan 8.370 nan 0.000 0.455 131 L N 0.537 121.893 121.223 0.222 0.000 2.056 131 L HA -0.088 4.252 4.340 -0.000 0.000 0.207 131 L C 2.206 179.415 176.870 0.563 0.000 1.078 131 L CA 1.128 56.188 54.840 0.367 0.000 0.749 131 L CB -0.878 41.378 42.059 0.329 0.000 0.901 131 L HN 0.047 nan 8.230 nan 0.000 0.433 132 L N -0.422 121.096 121.223 0.491 0.000 2.046 132 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 132 L C 2.718 179.686 176.870 0.163 0.000 1.077 132 L CA 1.808 56.840 54.840 0.319 0.000 0.747 132 L CB -0.663 41.527 42.059 0.219 0.000 0.896 132 L HN 0.270 nan 8.230 nan 0.000 0.432 133 R N -1.391 119.214 120.500 0.176 0.000 2.091 133 R HA -0.259 4.081 4.340 -0.000 0.000 0.238 133 R C 2.329 178.725 176.300 0.161 0.000 1.136 133 R CA 2.059 58.240 56.100 0.134 0.000 0.959 133 R CB -0.643 29.733 30.300 0.127 0.000 0.856 133 R HN 0.465 nan 8.270 nan 0.000 0.437 134 F N 0.279 120.263 119.950 0.057 0.000 2.069 134 F HA -0.243 4.284 4.527 -0.000 0.000 0.298 134 F C 1.493 177.308 175.800 0.026 0.000 1.113 134 F CA 1.615 59.604 58.000 -0.018 0.000 1.214 134 F CB -0.653 38.255 39.000 -0.155 0.000 0.978 134 F HN 0.023 nan 8.300 nan 0.000 0.474 135 Y N 0.353 120.653 120.300 0.000 0.000 2.293 135 Y HA -0.147 4.403 4.550 0.000 0.000 0.291 135 Y C 2.602 178.636 175.900 0.223 0.000 1.137 135 Y CA 1.389 59.500 58.100 0.019 0.000 1.202 135 Y CB -0.835 37.608 38.460 -0.028 0.000 0.990 135 Y HN 0.147 nan 8.280 nan 0.000 0.537 136 Q N -0.114 119.787 119.800 0.168 0.000 2.167 136 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 136 Q C 1.246 177.358 176.000 0.187 0.000 0.970 136 Q CA 0.974 56.872 55.803 0.158 0.000 0.855 136 Q CB -0.207 28.538 28.738 0.013 0.000 0.911 136 Q HN 0.498 nan 8.270 nan 0.000 0.438 137 N N -0.761 118.009 118.700 0.117 0.000 2.373 137 N HA -0.043 4.697 4.740 -0.000 0.000 0.181 137 N C -0.065 175.463 175.510 0.031 0.000 1.082 137 N CA -0.063 53.021 53.050 0.056 0.000 0.885 137 N CB 0.036 38.546 38.487 0.037 0.000 0.977 137 N HN 0.215 nan 8.380 nan 0.000 0.462 138 W N 3.017 124.222 121.300 -0.157 0.000 2.251 138 W HA 0.120 4.779 4.660 -0.000 0.000 0.327 138 W C -0.416 175.992 176.519 -0.185 0.000 1.361 138 W CA 0.051 57.259 57.345 -0.229 0.000 1.234 138 W CB 0.571 29.841 29.460 -0.317 0.000 1.212 138 W HN -0.120 nan 8.180 nan 0.000 0.557 139 Q N 7.423 126.620 119.800 -1.005 0.000 2.331 139 Q HA 0.338 4.678 4.340 -0.000 0.000 0.267 139 Q C -2.099 172.975 176.000 -1.543 0.000 1.006 139 Q CA -2.102 53.060 55.803 -1.069 0.000 0.818 139 Q CB 1.370 29.779 28.738 -0.549 0.000 1.276 139 Q HN 0.346 nan 8.270 nan 0.000 0.450 140 P HA 0.103 nan 4.420 nan 0.000 0.271 140 P C -0.177 176.721 177.300 -0.670 0.000 1.218 140 P CA 0.048 62.489 63.100 -1.100 0.000 0.780 140 P CB 0.809 32.049 31.700 -0.767 0.000 0.901 141 A N 1.802 124.231 122.820 -0.652 0.000 2.030 141 A HA 0.140 4.460 4.320 -0.000 0.000 0.215 141 A C 0.120 177.006 177.584 -1.163 0.000 1.164 141 A CA 0.754 52.152 52.037 -1.066 0.000 0.697 141 A CB -0.171 17.745 19.000 -1.805 0.000 0.827 141 A HN 0.541 nan 8.150 nan 0.000 0.457 142 W N -2.740 118.513 121.300 -0.079 0.000 3.042 142 W HA 0.647 5.307 4.660 -0.000 0.000 0.342 142 W C -0.049 176.416 176.519 -0.091 0.000 1.240 142 W CA -1.204 56.098 57.345 -0.072 0.000 1.166 142 W CB 0.956 30.388 29.460 -0.046 0.000 1.469 142 W HN 0.131 nan 8.180 nan 0.000 0.579 143 A N 2.145 125.059 122.820 0.158 0.000 2.366 143 A HA 0.594 4.914 4.320 -0.000 0.000 0.249 143 A C -2.266 175.332 177.584 0.023 0.000 1.084 143 A CA -0.910 51.154 52.037 0.046 0.000 0.794 143 A CB -0.702 18.321 19.000 0.039 0.000 1.034 143 A HN 0.138 nan 8.150 nan 0.000 0.491 144 P HA 0.284 nan 4.420 nan 0.000 0.268 144 P C 0.781 177.958 177.300 -0.206 0.000 1.205 144 P CA 1.639 64.572 63.100 -0.279 0.000 0.771 144 P CB 0.513 31.935 31.700 -0.463 0.000 0.858 145 G N 1.680 110.321 108.800 -0.265 0.000 2.176 145 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.252 145 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.252 145 G C 0.630 175.485 174.900 -0.075 0.000 1.024 145 G CA 0.706 45.791 45.100 -0.025 0.000 0.755 145 G HN 0.684 nan 8.290 nan 0.000 0.507 146 T N -5.021 109.446 114.554 -0.145 0.000 2.989 146 T HA 0.431 4.781 4.350 -0.000 0.000 0.250 146 T C 0.543 175.096 174.700 -0.245 0.000 0.981 146 T CA 0.721 62.753 62.100 -0.114 0.000 0.980 146 T CB 0.655 69.497 68.868 -0.044 0.000 1.133 146 T HN 0.297 nan 8.240 nan 0.000 0.489 147 Q N 1.004 120.611 119.800 -0.321 0.000 2.372 147 Q HA 0.483 4.823 4.340 -0.000 0.000 0.273 147 Q C -1.343 174.455 176.000 -0.338 0.000 1.078 147 Q CA -0.532 54.996 55.803 -0.459 0.000 0.806 147 Q CB 3.211 31.362 28.738 -0.978 0.000 1.332 147 Q HN 0.373 nan 8.270 nan 0.000 0.435 148 R N 2.147 122.479 120.500 -0.280 0.000 2.229 148 R HA 0.509 4.849 4.340 -0.000 0.000 0.328 148 R C -1.176 175.098 176.300 -0.043 0.000 1.009 148 R CA -0.517 55.510 56.100 -0.121 0.000 0.864 148 R CB 0.437 30.704 30.300 -0.055 0.000 1.085 148 R HN 0.454 nan 8.270 nan 0.000 0.453 149 L N 6.038 127.309 121.223 0.080 0.000 2.415 149 L HA 0.267 4.607 4.340 -0.000 0.000 0.268 149 L C -1.393 175.522 176.870 0.074 0.000 0.984 149 L CA -0.717 54.193 54.840 0.116 0.000 0.853 149 L CB 1.040 43.260 42.059 0.269 0.000 1.215 149 L HN 0.632 nan 8.230 nan 0.000 0.419 150 Y N 4.860 125.026 120.300 -0.223 0.000 2.805 150 Y HA 0.356 4.906 4.550 -0.000 0.000 0.331 150 Y C 0.053 175.759 175.900 -0.322 0.000 1.241 150 Y CA 0.988 58.720 58.100 -0.612 0.000 1.546 150 Y CB 0.431 38.611 38.460 -0.467 0.000 1.248 150 Y HN 0.845 nan 8.280 nan 0.000 0.559 151 A N 5.616 127.972 122.820 -0.772 0.000 2.513 151 A HA 0.288 4.608 4.320 -0.000 0.000 0.296 151 A C -0.203 177.271 177.584 -0.184 0.000 1.052 151 A CA -0.912 50.953 52.037 -0.287 0.000 0.714 151 A CB 0.897 19.901 19.000 0.006 0.000 1.279 151 A HN 0.787 nan 8.150 nan 0.000 0.397 152 N N 1.042 119.677 118.700 -0.108 0.000 2.270 152 N HA -0.133 4.607 4.740 -0.000 0.000 0.181 152 N C 2.001 177.568 175.510 0.096 0.000 1.016 152 N CA 1.866 54.928 53.050 0.021 0.000 0.870 152 N CB -0.063 38.496 38.487 0.121 0.000 0.979 152 N HN 0.837 nan 8.380 nan 0.000 0.431 153 S N -0.978 114.800 115.700 0.130 0.000 2.507 153 S HA 0.031 4.501 4.470 -0.000 0.000 0.235 153 S C 2.007 176.781 174.600 0.290 0.000 0.988 153 S CA 0.935 59.288 58.200 0.256 0.000 0.944 153 S CB -0.002 63.379 63.200 0.302 0.000 0.762 153 S HN 0.176 nan 8.310 nan 0.000 0.526 154 S N 1.105 116.920 115.700 0.193 0.000 2.339 154 S HA 0.262 4.732 4.470 -0.000 0.000 0.213 154 S C 1.623 176.312 174.600 0.148 0.000 1.033 154 S CA 0.454 58.760 58.200 0.177 0.000 0.950 154 S CB -0.549 62.776 63.200 0.208 0.000 0.893 154 S HN 0.568 nan 8.310 nan 0.000 0.492 155 I N 1.252 121.908 120.570 0.144 0.000 2.493 155 I HA 0.003 4.173 4.170 -0.000 0.000 0.254 155 I C 2.081 178.268 176.117 0.116 0.000 1.160 155 I CA 1.111 62.480 61.300 0.114 0.000 1.445 155 I CB -0.563 37.488 38.000 0.085 0.000 1.086 155 I HN 0.484 nan 8.210 nan 0.000 0.433 156 G N 0.974 109.810 108.800 0.060 0.000 2.418 156 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.217 156 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.217 156 G C 1.526 176.372 174.900 -0.090 0.000 1.158 156 G CA 0.742 45.809 45.100 -0.055 0.000 0.771 156 G HN 0.385 nan 8.290 nan 0.000 0.545 157 L N -0.300 120.921 121.223 -0.003 0.000 2.109 157 L HA 0.196 4.536 4.340 -0.000 0.000 0.207 157 L C 2.381 179.196 176.870 -0.092 0.000 1.086 157 L CA 1.276 56.051 54.840 -0.108 0.000 0.760 157 L CB -0.642 41.301 42.059 -0.194 0.000 0.910 157 L HN 0.218 nan 8.230 nan 0.000 0.437 158 F N 0.406 120.286 119.950 -0.117 0.000 2.126 158 F HA -0.068 4.459 4.527 -0.000 0.000 0.299 158 F C 2.145 177.870 175.800 -0.124 0.000 1.096 158 F CA 1.697 59.632 58.000 -0.109 0.000 1.255 158 F CB -1.010 37.938 39.000 -0.085 0.000 0.997 158 F HN 0.107 nan 8.300 nan 0.000 0.479 159 G N -0.228 108.426 108.800 -0.243 0.000 2.421 159 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.216 159 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.216 159 G C 1.846 176.558 174.900 -0.313 0.000 1.171 159 G CA 0.943 45.859 45.100 -0.306 0.000 0.775 159 G HN 0.645 nan 8.290 nan 0.000 0.543 160 A N 0.487 123.079 122.820 -0.381 0.000 1.902 160 A HA 0.096 4.416 4.320 -0.000 0.000 0.217 160 A C 2.427 179.828 177.584 -0.304 0.000 1.181 160 A CA 1.343 53.181 52.037 -0.331 0.000 0.623 160 A CB -0.352 18.420 19.000 -0.380 0.000 0.818 160 A HN 0.365 nan 8.150 nan 0.000 0.443 161 L N -1.111 119.903 121.223 -0.348 0.000 2.179 161 L HA -0.051 4.289 4.340 -0.000 0.000 0.208 161 L C 2.986 179.595 176.870 -0.434 0.000 1.096 161 L CA 0.734 55.378 54.840 -0.328 0.000 0.779 161 L CB -0.569 41.344 42.059 -0.242 0.000 0.922 161 L HN 0.401 nan 8.230 nan 0.000 0.443 162 A N 0.464 122.940 122.820 -0.573 0.000 1.978 162 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 162 A C 2.109 179.474 177.584 -0.365 0.000 1.170 162 A CA 1.905 53.573 52.037 -0.615 0.000 0.636 162 A CB -0.711 17.775 19.000 -0.857 0.000 0.810 162 A HN 0.352 nan 8.150 nan 0.000 0.448 163 V N -4.130 115.634 119.914 -0.249 0.000 3.649 163 V HA 0.112 4.232 4.120 -0.000 0.000 0.275 163 V C 1.591 177.609 176.094 -0.127 0.000 1.281 163 V CA 0.653 62.855 62.300 -0.163 0.000 1.143 163 V CB -0.350 31.408 31.823 -0.107 0.000 0.892 163 V HN 0.223 nan 8.190 nan 0.000 0.441 164 K N 1.648 121.970 120.400 -0.131 0.000 2.032 164 K HA -0.033 4.287 4.320 -0.000 0.000 0.209 164 K C 0.218 176.810 176.600 -0.014 0.000 1.048 164 K CA 1.974 58.224 56.287 -0.061 0.000 0.927 164 K CB -1.853 30.641 32.500 -0.009 0.000 0.712 164 K HN 0.463 nan 8.250 nan 0.000 0.441 165 P HA -0.142 nan 4.420 nan 0.000 0.216 165 P C 1.517 178.813 177.300 -0.006 0.000 1.153 165 P CA 1.774 64.897 63.100 0.038 0.000 0.858 165 P CB -0.112 31.629 31.700 0.069 0.000 0.789 166 S N -1.586 114.091 115.700 -0.038 0.000 2.447 166 S HA 0.013 4.483 4.470 -0.000 0.000 0.233 166 S C 1.910 176.482 174.600 -0.047 0.000 1.006 166 S CA 1.141 59.312 58.200 -0.049 0.000 0.957 166 S CB -1.541 61.613 63.200 -0.076 0.000 0.773 166 S HN 0.325 nan 8.310 nan 0.000 0.507 167 G N 0.603 109.376 108.800 -0.045 0.000 2.212 167 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.266 167 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.266 167 G C 0.020 174.888 174.900 -0.054 0.000 0.978 167 G CA 0.534 45.609 45.100 -0.042 0.000 0.632 167 G HN 0.585 nan 8.290 nan 0.000 0.537 168 L N 1.612 122.793 121.223 -0.071 0.000 2.439 168 L HA 0.573 4.913 4.340 -0.000 0.000 0.261 168 L C 1.530 178.351 176.870 -0.083 0.000 1.153 168 L CA -0.197 54.593 54.840 -0.083 0.000 0.808 168 L CB 1.204 43.196 42.059 -0.112 0.000 1.126 168 L HN 0.399 nan 8.230 nan 0.000 0.460 169 S N 0.300 115.954 115.700 -0.076 0.000 2.608 169 S HA 0.074 4.544 4.470 -0.000 0.000 0.261 169 S C 0.810 175.372 174.600 -0.064 0.000 1.314 169 S CA -0.389 57.780 58.200 -0.051 0.000 0.992 169 S CB 0.475 63.653 63.200 -0.038 0.000 0.935 169 S HN 0.533 nan 8.310 nan 0.000 0.564 170 F N 1.102 120.959 119.950 -0.154 0.000 2.102 170 F HA -0.069 4.458 4.527 -0.000 0.000 0.298 170 F C 2.528 178.213 175.800 -0.191 0.000 1.105 170 F CA 2.180 60.072 58.000 -0.181 0.000 1.239 170 F CB -0.502 38.389 39.000 -0.181 0.000 0.991 170 F HN 0.940 nan 8.300 nan 0.000 0.474 171 E N -0.260 119.867 120.200 -0.121 0.000 2.077 171 E HA -0.321 4.029 4.350 -0.000 0.000 0.193 171 E C 2.293 178.719 176.600 -0.290 0.000 0.989 171 E CA 1.451 57.727 56.400 -0.207 0.000 0.800 171 E CB -0.366 29.314 29.700 -0.033 0.000 0.746 171 E HN 0.662 nan 8.360 nan 0.000 0.452 172 Q N -0.142 119.533 119.800 -0.209 0.000 2.079 172 Q HA -0.164 4.176 4.340 -0.000 0.000 0.200 172 Q C 2.043 177.884 176.000 -0.266 0.000 0.974 172 Q CA 1.496 57.186 55.803 -0.187 0.000 0.840 172 Q CB -0.180 28.486 28.738 -0.121 0.000 0.898 172 Q HN 0.349 nan 8.270 nan 0.000 0.430 173 A N 0.487 123.113 122.820 -0.324 0.000 1.873 173 A HA -0.197 4.123 4.320 -0.000 0.000 0.215 173 A C 2.007 179.300 177.584 -0.485 0.000 1.186 173 A CA 1.595 53.421 52.037 -0.353 0.000 0.616 173 A CB -0.595 18.198 19.000 -0.346 0.000 0.823 173 A HN 0.533 nan 8.150 nan 0.000 0.442 174 M N -0.112 119.053 119.600 -0.726 0.000 2.117 174 M HA -0.176 4.304 4.480 -0.000 0.000 0.262 174 M C 2.124 177.820 176.300 -1.006 0.000 1.065 174 M CA 1.919 56.649 55.300 -0.950 0.000 1.114 174 M CB -0.595 31.266 32.600 -1.232 0.000 1.361 174 M HN 0.524 nan 8.290 nan 0.000 0.408 175 Q N -1.152 118.201 119.800 -0.745 0.000 2.046 175 Q HA -0.148 4.192 4.340 -0.000 0.000 0.200 175 Q C 1.900 177.725 176.000 -0.290 0.000 0.975 175 Q CA 2.253 57.768 55.803 -0.480 0.000 0.836 175 Q CB -0.387 28.197 28.738 -0.257 0.000 0.896 175 Q HN 0.764 nan 8.270 nan 0.000 0.428 176 T N -2.117 112.285 114.554 -0.254 0.000 3.043 176 T HA 0.054 4.404 4.350 -0.000 0.000 0.263 176 T C 1.643 176.255 174.700 -0.146 0.000 1.094 176 T CA 0.387 62.389 62.100 -0.164 0.000 1.127 176 T CB 0.090 68.878 68.868 -0.133 0.000 0.905 176 T HN 0.124 nan 8.240 nan 0.000 0.490 177 R N -0.122 120.262 120.500 -0.193 0.000 2.282 177 R HA 0.394 4.734 4.340 -0.000 0.000 0.195 177 R C 1.412 177.655 176.300 -0.094 0.000 0.909 177 R CA 0.194 56.214 56.100 -0.134 0.000 1.039 177 R CB 0.529 30.741 30.300 -0.146 0.000 1.015 177 R HN 0.294 nan 8.270 nan 0.000 0.513 178 V N -1.039 118.786 119.914 -0.148 0.000 3.161 178 V HA 0.034 4.154 4.120 -0.000 0.000 0.221 178 V C 1.377 177.548 176.094 0.127 0.000 1.296 178 V CA 0.406 62.703 62.300 -0.005 0.000 1.306 178 V CB -0.294 31.510 31.823 -0.032 0.000 1.171 178 V HN -0.018 nan 8.190 nan 0.000 0.513 179 F N 1.596 121.474 119.950 -0.121 0.000 2.102 179 F HA -0.144 4.383 4.527 -0.000 0.000 0.298 179 F C 2.601 178.316 175.800 -0.143 0.000 1.105 179 F CA 1.537 59.428 58.000 -0.180 0.000 1.239 179 F CB -1.156 37.630 39.000 -0.357 0.000 0.991 179 F HN 0.210 nan 8.300 nan 0.000 0.474 180 Q N -0.293 119.535 119.800 0.046 0.000 2.016 180 Q HA -0.144 4.196 4.340 -0.000 0.000 0.200 180 Q C -0.298 175.704 176.000 0.004 0.000 0.978 180 Q CA 1.710 57.504 55.803 -0.015 0.000 0.833 180 Q CB -1.477 27.231 28.738 -0.051 0.000 0.895 180 Q HN 0.257 nan 8.270 nan 0.000 0.427 181 P HA -0.155 nan 4.420 nan 0.000 0.218 181 P C 0.696 178.023 177.300 0.046 0.000 1.148 181 P CA 1.216 64.330 63.100 0.023 0.000 0.822 181 P CB 0.031 31.747 31.700 0.025 0.000 0.784 182 L N -1.353 119.923 121.223 0.088 0.000 2.591 182 L HA 0.115 4.455 4.340 -0.000 0.000 0.228 182 L C 0.435 177.351 176.870 0.077 0.000 1.133 182 L CA 0.192 55.100 54.840 0.114 0.000 0.880 182 L CB -0.722 41.474 42.059 0.228 0.000 1.033 182 L HN -0.020 nan 8.230 nan 0.000 0.450 183 K N 0.765 121.185 120.400 0.034 0.000 3.096 183 K HA -0.169 4.151 4.320 -0.000 0.000 0.266 183 K C -0.244 176.343 176.600 -0.021 0.000 1.043 183 K CA 0.374 56.659 56.287 -0.003 0.000 0.758 183 K CB -1.778 30.726 32.500 0.007 0.000 1.260 183 K HN 0.331 nan 8.250 nan 0.000 0.481 184 L N 1.465 122.657 121.223 -0.051 0.000 2.422 184 L HA 0.120 4.460 4.340 -0.000 0.000 0.256 184 L C 0.994 177.680 176.870 -0.307 0.000 1.202 184 L CA -0.477 54.275 54.840 -0.145 0.000 1.119 184 L CB 0.104 42.041 42.059 -0.202 0.000 1.383 184 L HN 0.165 nan 8.230 nan 0.000 0.411 185 N N 0.227 118.775 118.700 -0.253 0.000 2.521 185 N HA -0.049 4.691 4.740 -0.000 0.000 0.188 185 N C 0.688 175.758 175.510 -0.733 0.000 1.146 185 N CA 0.773 53.566 53.050 -0.428 0.000 0.893 185 N CB 0.164 38.452 38.487 -0.331 0.000 0.975 185 N HN 0.499 nan 8.380 nan 0.000 0.451 186 H N -1.014 117.915 119.070 -0.235 0.000 2.651 186 H HA 0.265 4.821 4.556 -0.000 0.000 0.241 186 H C -0.371 174.788 175.328 -0.282 0.000 1.225 186 H CA -0.098 55.876 56.048 -0.125 0.000 0.942 186 H CB 0.407 30.151 29.762 -0.030 0.000 1.996 186 H HN -0.126 nan 8.280 nan 0.000 0.600 187 T N 0.828 114.974 114.554 -0.681 0.000 2.824 187 T HA 0.356 4.706 4.350 -0.000 0.000 0.282 187 T C -0.710 173.254 174.700 -1.228 0.000 0.993 187 T CA -0.447 61.110 62.100 -0.904 0.000 0.967 187 T CB 1.450 69.552 68.868 -1.276 0.000 0.960 187 T HN 0.223 nan 8.240 nan 0.000 0.441 188 W N 1.719 122.696 121.300 -0.539 0.000 3.127 188 W HA 0.547 5.208 4.660 0.000 0.000 0.330 188 W C 0.579 176.964 176.519 -0.223 0.000 1.187 188 W CA -0.799 56.366 57.345 -0.300 0.000 1.198 188 W CB 1.152 30.453 29.460 -0.264 0.000 1.408 188 W HN 0.506 nan 8.180 nan 0.000 0.529 189 I N 1.383 122.064 120.570 0.185 0.000 2.585 189 I HA -0.014 4.156 4.170 -0.000 0.000 0.254 189 I C -0.013 176.130 176.117 0.043 0.000 1.129 189 I CA 0.812 62.160 61.300 0.080 0.000 1.455 189 I CB -0.015 38.044 38.000 0.099 0.000 1.111 189 I HN 0.342 nan 8.210 nan 0.000 0.433 190 N N -0.010 118.754 118.700 0.106 0.000 2.442 190 N HA 0.296 5.036 4.740 -0.000 0.000 0.274 190 N C -0.955 174.484 175.510 -0.118 0.000 1.002 190 N CA -0.349 52.696 53.050 -0.008 0.000 0.910 190 N CB 2.327 40.812 38.487 -0.004 0.000 1.244 190 N HN -0.218 nan 8.380 nan 0.000 0.492 191 V N 4.183 123.941 119.914 -0.260 0.000 2.479 191 V HA 0.180 4.300 4.120 -0.000 0.000 0.281 191 V C -1.407 174.378 176.094 -0.515 0.000 1.031 191 V CA -0.941 61.068 62.300 -0.485 0.000 1.038 191 V CB -0.062 31.466 31.823 -0.492 0.000 0.981 191 V HN 0.612 nan 8.190 nan 0.000 0.478 192 P HA 0.281 nan 4.420 nan 0.000 0.276 192 P C -2.331 174.753 177.300 -0.360 0.000 1.252 192 P CA -1.823 60.919 63.100 -0.597 0.000 0.802 192 P CB 0.635 31.826 31.700 -0.848 0.000 1.035 193 P HA -0.197 nan 4.420 nan 0.000 0.216 193 P C 1.473 178.701 177.300 -0.119 0.000 1.154 193 P CA 2.292 65.310 63.100 -0.136 0.000 0.865 193 P CB -0.484 31.156 31.700 -0.099 0.000 0.789 194 A N -0.509 122.227 122.820 -0.139 0.000 2.125 194 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 194 A C 1.933 179.472 177.584 -0.074 0.000 1.156 194 A CA 1.413 53.398 52.037 -0.087 0.000 0.671 194 A CB -0.695 18.261 19.000 -0.072 0.000 0.794 194 A HN 0.117 nan 8.150 nan 0.000 0.459 195 E N -0.679 119.439 120.200 -0.137 0.000 2.498 195 E HA 0.020 4.370 4.350 -0.000 0.000 0.203 195 E C 1.198 177.766 176.600 -0.053 0.000 1.013 195 E CA 0.036 56.382 56.400 -0.091 0.000 0.927 195 E CB 0.064 29.666 29.700 -0.164 0.000 1.012 195 E HN 0.740 nan 8.360 nan 0.000 0.482 196 E N 1.432 121.604 120.200 -0.047 0.000 2.160 196 E HA -0.208 4.142 4.350 -0.000 0.000 0.195 196 E C 2.005 178.632 176.600 0.045 0.000 0.991 196 E CA 1.187 57.601 56.400 0.024 0.000 0.810 196 E CB -0.054 29.653 29.700 0.012 0.000 0.742 196 E HN 0.171 nan 8.360 nan 0.000 0.466 197 K N 0.555 120.973 120.400 0.029 0.000 2.362 197 K HA -0.117 4.203 4.320 -0.000 0.000 0.200 197 K C 0.814 177.442 176.600 0.046 0.000 1.046 197 K CA 1.529 57.841 56.287 0.041 0.000 0.952 197 K CB -0.048 32.471 32.500 0.031 0.000 0.753 197 K HN 0.082 nan 8.250 nan 0.000 0.466 198 N N -0.496 118.230 118.700 0.043 0.000 2.254 198 N HA 0.003 4.743 4.740 -0.000 0.000 0.190 198 N C -0.715 174.833 175.510 0.063 0.000 1.107 198 N CA -0.394 52.679 53.050 0.038 0.000 0.869 198 N CB 0.315 38.813 38.487 0.018 0.000 0.983 198 N HN 0.187 nan 8.380 nan 0.000 0.487 199 Y N 2.438 122.671 120.300 -0.111 0.000 2.584 199 Y HA 0.300 4.850 4.550 0.000 0.000 0.351 199 Y C 0.358 176.166 175.900 -0.153 0.000 1.030 199 Y CA -1.345 56.652 58.100 -0.171 0.000 1.332 199 Y CB 0.199 38.513 38.460 -0.243 0.000 1.148 199 Y HN 0.002 nan 8.280 nan 0.000 0.528 200 A N 6.213 129.112 122.820 0.132 0.000 2.406 200 A HA 0.036 4.356 4.320 -0.000 0.000 0.243 200 A C -1.150 176.490 177.584 0.093 0.000 1.082 200 A CA -0.224 51.853 52.037 0.066 0.000 0.786 200 A CB 0.301 19.269 19.000 -0.054 0.000 1.029 200 A HN 0.931 nan 8.150 nan 0.000 0.495 201 W N 0.244 121.569 121.300 0.042 0.000 2.376 201 W HA 0.502 5.162 4.660 0.000 0.000 0.322 201 W C 0.821 177.035 176.519 -0.509 0.000 1.160 201 W CA 0.328 57.519 57.345 -0.256 0.000 1.218 201 W CB 1.364 30.504 29.460 -0.533 0.000 1.205 201 W HN 0.930 nan 8.180 nan 0.000 0.559 202 G N 1.530 110.128 108.800 -0.337 0.000 2.448 202 G HA2 0.482 4.442 3.960 -0.000 0.000 0.285 202 G HA3 0.482 4.442 3.960 -0.000 0.000 0.285 202 G C -2.074 172.460 174.900 -0.611 0.000 1.176 202 G CA -0.440 44.175 45.100 -0.809 0.000 0.852 202 G HN 0.437 nan 8.290 nan 0.000 0.530 203 Y N 0.004 120.225 120.300 -0.131 0.000 2.331 203 Y HA 0.548 5.098 4.550 -0.000 0.000 0.334 203 Y C 0.494 176.393 175.900 -0.001 0.000 0.960 203 Y CA -0.795 57.285 58.100 -0.033 0.000 1.130 203 Y CB 2.278 40.725 38.460 -0.021 0.000 1.164 203 Y HN 0.499 nan 8.280 nan 0.000 0.458 204 R N 2.883 123.456 120.500 0.121 0.000 2.483 204 R HA 0.287 4.627 4.340 -0.000 0.000 0.303 204 R C -0.759 175.590 176.300 0.081 0.000 0.987 204 R CA -0.388 55.769 56.100 0.093 0.000 0.881 204 R CB 0.747 31.088 30.300 0.068 0.000 1.177 204 R HN 0.905 nan 8.270 nan 0.000 0.451 205 E N 2.823 123.068 120.200 0.075 0.000 2.297 205 E HA -0.275 4.075 4.350 -0.000 0.000 0.228 205 E C 0.554 177.187 176.600 0.054 0.000 1.213 205 E CA 0.856 57.288 56.400 0.053 0.000 0.712 205 E CB -1.054 28.669 29.700 0.038 0.000 1.202 205 E HN 1.188 nan 8.360 nan 0.000 0.376 206 G N -0.158 108.691 108.800 0.081 0.000 2.267 206 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.257 206 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.257 206 G C 0.253 175.236 174.900 0.138 0.000 0.998 206 G CA 0.875 46.024 45.100 0.082 0.000 0.620 206 G HN 0.296 nan 8.290 nan 0.000 0.529 207 K N 1.001 121.464 120.400 0.105 0.000 2.172 207 K HA 0.668 4.988 4.320 -0.000 0.000 0.276 207 K C 0.442 177.027 176.600 -0.025 0.000 1.013 207 K CA 0.032 56.342 56.287 0.039 0.000 0.913 207 K CB 1.681 34.174 32.500 -0.012 0.000 1.055 207 K HN 0.477 nan 8.250 nan 0.000 0.461 208 A N 2.645 125.343 122.820 -0.203 0.000 2.451 208 A HA 0.359 4.679 4.320 -0.000 0.000 0.266 208 A C -0.006 177.395 177.584 -0.306 0.000 1.119 208 A CA -0.424 51.263 52.037 -0.582 0.000 0.786 208 A CB -0.276 18.213 19.000 -0.851 0.000 1.061 208 A HN 0.549 nan 8.150 nan 0.000 0.503 209 V N 1.019 120.877 119.914 -0.092 0.000 3.007 209 V HA 0.684 4.804 4.120 -0.000 0.000 0.311 209 V C -0.683 175.589 176.094 0.296 0.000 1.120 209 V CA -0.825 61.550 62.300 0.126 0.000 0.980 209 V CB 1.394 33.264 31.823 0.079 0.000 1.033 209 V HN 0.929 nan 8.190 nan 0.000 0.429 210 H N 0.522 119.719 119.070 0.211 0.000 2.679 210 H HA 0.672 5.228 4.556 -0.000 0.000 0.367 210 H C -0.558 174.861 175.328 0.152 0.000 1.162 210 H CA -0.939 55.173 56.048 0.106 0.000 1.181 210 H CB 2.365 32.046 29.762 -0.135 0.000 1.693 210 H HN 0.804 nan 8.280 nan 0.000 0.538 211 V N 2.523 122.607 119.914 0.283 0.000 2.763 211 V HA 0.005 4.125 4.120 -0.000 0.000 0.306 211 V C -0.192 176.016 176.094 0.189 0.000 1.059 211 V CA 0.338 62.768 62.300 0.216 0.000 1.138 211 V CB 0.859 32.815 31.823 0.220 0.000 0.940 211 V HN 0.749 nan 8.190 nan 0.000 0.489 212 S N 7.597 123.394 115.700 0.161 0.000 2.646 212 S HA 0.552 5.022 4.470 -0.000 0.000 0.276 212 S C -2.391 172.294 174.600 0.142 0.000 1.222 212 S CA -0.837 57.444 58.200 0.135 0.000 1.014 212 S CB 1.170 64.431 63.200 0.103 0.000 0.991 212 S HN 0.879 nan 8.310 nan 0.000 0.533 213 P HA 0.424 nan 4.420 nan 0.000 0.269 213 P C -0.252 177.102 177.300 0.091 0.000 1.215 213 P CA -0.156 62.992 63.100 0.081 0.000 0.780 213 P CB 0.379 32.107 31.700 0.047 0.000 0.898 214 G N -0.361 108.487 108.800 0.080 0.000 2.673 214 G HA2 0.532 4.492 3.960 -0.000 0.000 0.292 214 G HA3 0.532 4.492 3.960 -0.000 0.000 0.292 214 G C -1.312 173.596 174.900 0.012 0.000 1.450 214 G CA -0.426 44.725 45.100 0.085 0.000 0.837 214 G HN 0.547 nan 8.290 nan 0.000 0.505 215 A N 0.503 123.316 122.820 -0.011 0.000 2.511 215 A HA 0.540 4.860 4.320 -0.000 0.000 0.242 215 A C 1.428 178.963 177.584 -0.081 0.000 1.069 215 A CA 0.498 52.505 52.037 -0.050 0.000 0.763 215 A CB -0.355 18.607 19.000 -0.064 0.000 1.001 215 A HN 1.774 nan 8.150 nan 0.000 0.498 216 L N 0.390 121.531 121.223 -0.137 0.000 3.976 216 L HA -0.328 4.012 4.340 -0.000 0.000 0.418 216 L C 1.169 177.810 176.870 -0.382 0.000 1.177 216 L CA 0.653 55.357 54.840 -0.228 0.000 0.968 216 L CB -1.762 40.218 42.059 -0.131 0.000 1.933 216 L HN 1.016 nan 8.230 nan 0.000 0.976 217 D N 0.134 120.275 120.400 -0.431 0.000 2.097 217 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 217 D C 1.981 177.849 176.300 -0.719 0.000 0.984 217 D CA 1.416 54.882 54.000 -0.891 0.000 0.826 217 D CB -0.133 40.370 40.800 -0.496 0.000 0.973 217 D HN 0.423 nan 8.370 nan 0.000 0.460 218 A N 0.828 123.414 122.820 -0.391 0.000 1.908 218 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 218 A C 2.118 179.536 177.584 -0.277 0.000 1.181 218 A CA 2.053 53.959 52.037 -0.219 0.000 0.627 218 A CB -0.734 18.234 19.000 -0.052 0.000 0.818 218 A HN 0.236 nan 8.150 nan 0.000 0.445 219 E N -0.481 119.349 120.200 -0.617 0.000 2.208 219 E HA 0.131 4.480 4.350 -0.000 0.000 0.193 219 E C 1.902 178.337 176.600 -0.275 0.000 0.988 219 E CA 1.196 57.157 56.400 -0.732 0.000 0.828 219 E CB -0.206 28.956 29.700 -0.897 0.000 0.763 219 E HN 0.605 nan 8.360 nan 0.000 0.478 220 A N -0.501 122.150 122.820 -0.282 0.000 2.108 220 A HA 0.125 4.445 4.320 -0.000 0.000 0.206 220 A C 0.684 178.313 177.584 0.075 0.000 1.212 220 A CA 0.462 52.453 52.037 -0.076 0.000 0.843 220 A CB 0.066 19.066 19.000 0.000 0.000 0.902 220 A HN 0.395 nan 8.150 nan 0.000 0.477 221 Y N -4.461 115.856 120.300 0.027 0.000 3.075 221 Y HA 0.431 4.981 4.550 -0.000 0.000 0.270 221 Y C 0.723 176.640 175.900 0.028 0.000 1.071 221 Y CA -0.558 57.572 58.100 0.050 0.000 1.269 221 Y CB -0.465 38.032 38.460 0.061 0.000 1.291 221 Y HN -0.008 nan 8.280 nan 0.000 0.613 222 G N 0.906 109.650 108.800 -0.095 0.000 3.434 222 G HA2 0.421 4.381 3.960 -0.000 0.000 0.258 222 G HA3 0.421 4.381 3.960 -0.000 0.000 0.258 222 G C -0.395 174.479 174.900 -0.045 0.000 1.128 222 G CA -0.003 45.067 45.100 -0.051 0.000 0.792 222 G HN 0.112 nan 8.290 nan 0.000 0.539 223 V N 0.401 120.283 119.914 -0.053 0.000 2.567 223 V HA 0.444 4.564 4.120 -0.000 0.000 0.289 223 V C -0.261 175.717 176.094 -0.192 0.000 1.049 223 V CA -0.473 61.732 62.300 -0.159 0.000 0.969 223 V CB 1.583 33.218 31.823 -0.314 0.000 0.995 223 V HN 0.149 nan 8.190 nan 0.000 0.471 224 K N 2.313 122.555 120.400 -0.262 0.000 2.324 224 K HA 0.792 5.112 4.320 -0.000 0.000 0.253 224 K C -0.590 175.854 176.600 -0.260 0.000 0.932 224 K CA -0.163 55.951 56.287 -0.287 0.000 0.799 224 K CB 2.022 34.237 32.500 -0.475 0.000 1.154 224 K HN 0.714 nan 8.250 nan 0.000 0.425 225 S N 0.184 115.800 115.700 -0.139 0.000 2.615 225 S HA 0.612 5.082 4.470 -0.000 0.000 0.269 225 S C -1.195 173.456 174.600 0.086 0.000 1.161 225 S CA -0.694 57.447 58.200 -0.098 0.000 0.817 225 S CB 0.973 64.082 63.200 -0.151 0.000 1.131 225 S HN 0.675 nan 8.310 nan 0.000 0.467 226 T N 0.031 114.639 114.554 0.091 0.000 2.936 226 T HA 0.538 4.888 4.350 -0.000 0.000 0.282 226 T C 1.225 176.025 174.700 0.167 0.000 1.003 226 T CA -0.513 61.687 62.100 0.165 0.000 1.005 226 T CB 0.846 69.754 68.868 0.066 0.000 1.097 226 T HN 0.462 nan 8.240 nan 0.000 0.532 227 I N 0.793 121.470 120.570 0.179 0.000 2.394 227 I HA -0.025 4.145 4.170 -0.000 0.000 0.251 227 I C 2.333 178.578 176.117 0.214 0.000 1.136 227 I CA 1.404 62.821 61.300 0.193 0.000 1.425 227 I CB -0.531 37.599 38.000 0.216 0.000 1.079 227 I HN 0.836 nan 8.210 nan 0.000 0.425 228 E N 0.061 120.277 120.200 0.026 0.000 2.085 228 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 228 E C 1.588 178.278 176.600 0.150 0.000 0.994 228 E CA 1.566 57.988 56.400 0.038 0.000 0.801 228 E CB -0.216 29.381 29.700 -0.172 0.000 0.743 228 E HN 0.496 nan 8.360 nan 0.000 0.453 229 D N -0.155 120.316 120.400 0.117 0.000 2.183 229 D HA -0.060 4.579 4.640 -0.000 0.000 0.203 229 D C 1.804 178.228 176.300 0.206 0.000 0.969 229 D CA 0.741 54.811 54.000 0.116 0.000 0.842 229 D CB 0.039 40.848 40.800 0.016 0.000 0.957 229 D HN 0.059 nan 8.370 nan 0.000 0.484 230 M N 0.359 120.094 119.600 0.225 0.000 2.175 230 M HA 0.030 4.510 4.480 -0.000 0.000 0.264 230 M C 2.172 178.655 176.300 0.304 0.000 1.063 230 M CA 0.612 56.100 55.300 0.313 0.000 1.119 230 M CB -1.014 31.746 32.600 0.268 0.000 1.377 230 M HN -0.030 nan 8.290 nan 0.000 0.415 231 A N 0.081 123.060 122.820 0.265 0.000 1.902 231 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 231 A C 2.346 180.007 177.584 0.127 0.000 1.181 231 A CA 1.416 53.564 52.037 0.185 0.000 0.623 231 A CB -0.552 18.577 19.000 0.216 0.000 0.818 231 A HN 0.444 nan 8.150 nan 0.000 0.443 232 R N -1.637 118.966 120.500 0.171 0.000 2.096 232 R HA -0.159 4.181 4.340 -0.000 0.000 0.235 232 R C 2.160 178.565 176.300 0.175 0.000 1.127 232 R CA 1.378 57.558 56.100 0.134 0.000 0.968 232 R CB -0.375 30.012 30.300 0.144 0.000 0.861 232 R HN 0.871 nan 8.270 nan 0.000 0.440 233 W N 0.909 122.229 121.300 0.033 0.000 2.358 233 W HA -0.192 4.468 4.660 0.000 0.000 0.303 233 W C 1.438 177.889 176.519 -0.113 0.000 1.208 233 W CA 1.098 58.448 57.345 0.008 0.000 1.274 233 W CB 0.056 29.569 29.460 0.089 0.000 1.138 233 W HN -0.105 nan 8.180 nan 0.000 0.515 234 V N 1.259 121.098 119.914 -0.125 0.000 2.358 234 V HA -0.322 3.798 4.120 -0.000 0.000 0.246 234 V C 2.380 178.135 176.094 -0.564 0.000 1.047 234 V CA 2.173 64.187 62.300 -0.476 0.000 1.035 234 V CB -0.933 30.749 31.823 -0.235 0.000 0.658 234 V HN 0.213 nan 8.190 nan 0.000 0.452 235 Q N -0.275 119.347 119.800 -0.297 0.000 2.135 235 Q HA -0.182 4.158 4.340 -0.000 0.000 0.204 235 Q C 2.455 178.268 176.000 -0.312 0.000 0.981 235 Q CA 1.939 57.581 55.803 -0.268 0.000 0.856 235 Q CB -0.250 28.404 28.738 -0.140 0.000 0.902 235 Q HN 0.588 nan 8.270 nan 0.000 0.425 236 S N 0.758 116.281 115.700 -0.295 0.000 2.383 236 S HA -0.060 4.409 4.470 -0.000 0.000 0.227 236 S C 1.498 175.828 174.600 -0.450 0.000 1.026 236 S CA 0.811 58.844 58.200 -0.279 0.000 0.981 236 S CB -0.117 62.989 63.200 -0.157 0.000 0.818 236 S HN 0.383 nan 8.310 nan 0.000 0.472 237 N N 1.051 119.300 118.700 -0.751 0.000 2.416 237 N HA 0.146 4.886 4.740 -0.000 0.000 0.177 237 N C 1.550 176.572 175.510 -0.813 0.000 1.036 237 N CA 0.413 52.941 53.050 -0.870 0.000 0.901 237 N CB -0.077 37.636 38.487 -1.290 0.000 0.976 237 N HN 0.327 nan 8.380 nan 0.000 0.444 238 L N 0.510 121.235 121.223 -0.830 0.000 2.072 238 L HA -0.029 4.311 4.340 -0.000 0.000 0.205 238 L C 0.699 177.397 176.870 -0.287 0.000 1.079 238 L CA 1.163 55.695 54.840 -0.513 0.000 0.752 238 L CB 0.120 41.922 42.059 -0.429 0.000 0.906 238 L HN -0.078 nan 8.230 nan 0.000 0.436 239 K N -0.657 119.581 120.400 -0.271 0.000 2.842 239 K HA 0.191 4.511 4.320 -0.000 0.000 0.176 239 K C -1.860 174.645 176.600 -0.157 0.000 1.080 239 K CA -1.144 55.035 56.287 -0.180 0.000 0.954 239 K CB 1.292 33.702 32.500 -0.151 0.000 1.203 239 K HN -0.107 nan 8.250 nan 0.000 0.611 240 P HA -0.157 nan 4.420 nan 0.000 0.222 240 P C 1.038 178.292 177.300 -0.078 0.000 1.147 240 P CA 0.879 63.908 63.100 -0.117 0.000 0.790 240 P CB 0.310 31.945 31.700 -0.107 0.000 0.780 241 L N -0.289 120.890 121.223 -0.074 0.000 2.362 241 L HA -0.095 4.245 4.340 -0.000 0.000 0.219 241 L C 1.737 178.577 176.870 -0.050 0.000 1.134 241 L CA 1.118 55.925 54.840 -0.055 0.000 0.807 241 L CB -0.806 41.221 42.059 -0.052 0.000 0.927 241 L HN -0.084 nan 8.230 nan 0.000 0.447 242 D N 0.061 120.425 120.400 -0.059 0.000 2.363 242 D HA 0.110 4.750 4.640 -0.000 0.000 0.220 242 D C 0.791 177.068 176.300 -0.039 0.000 0.994 242 D CA 0.499 54.469 54.000 -0.050 0.000 0.890 242 D CB 0.165 40.928 40.800 -0.060 0.000 0.906 242 D HN 0.233 nan 8.370 nan 0.000 0.530 243 I N 1.596 122.144 120.570 -0.038 0.000 2.416 243 I HA -0.004 4.166 4.170 -0.000 0.000 0.288 243 I C 1.529 177.637 176.117 -0.016 0.000 1.051 243 I CA -0.399 60.887 61.300 -0.022 0.000 1.375 243 I CB 0.895 38.884 38.000 -0.017 0.000 1.407 243 I HN -0.185 nan 8.210 nan 0.000 0.516 244 N N 4.248 122.942 118.700 -0.010 0.000 2.084 244 N HA -0.128 4.612 4.740 -0.000 0.000 0.190 244 N C 0.195 175.700 175.510 -0.007 0.000 1.030 244 N CA 1.204 54.248 53.050 -0.009 0.000 0.849 244 N CB -0.030 38.452 38.487 -0.008 0.000 1.012 244 N HN 0.567 nan 8.380 nan 0.000 0.423 245 E N 1.696 121.894 120.200 -0.002 0.000 2.292 245 E HA 0.028 4.378 4.350 -0.000 0.000 0.265 245 E C 0.893 177.493 176.600 -0.000 0.000 1.093 245 E CA 0.144 56.543 56.400 -0.001 0.000 0.922 245 E CB 0.528 30.230 29.700 0.003 0.000 1.001 245 E HN 0.185 nan 8.360 nan 0.000 0.444 246 K N 1.424 121.823 120.400 -0.003 0.000 2.020 246 K HA -0.207 4.113 4.320 -0.000 0.000 0.212 246 K C 1.941 178.543 176.600 0.003 0.000 1.050 246 K CA 2.026 58.312 56.287 -0.002 0.000 0.929 246 K CB -0.333 32.165 32.500 -0.003 0.000 0.714 246 K HN 0.605 nan 8.250 nan 0.000 0.443 247 T N 0.190 114.747 114.554 0.005 0.000 2.915 247 T HA -0.096 4.254 4.350 -0.000 0.000 0.269 247 T C 1.838 176.550 174.700 0.021 0.000 1.071 247 T CA 0.778 62.885 62.100 0.011 0.000 1.132 247 T CB -0.158 68.713 68.868 0.005 0.000 0.878 247 T HN 0.042 nan 8.240 nan 0.000 0.479 248 L N 1.104 122.339 121.223 0.021 0.000 2.072 248 L HA 0.136 4.476 4.340 -0.000 0.000 0.205 248 L C 2.778 179.668 176.870 0.034 0.000 1.079 248 L CA 1.692 56.556 54.840 0.039 0.000 0.752 248 L CB -0.992 41.094 42.059 0.044 0.000 0.906 248 L HN 0.362 nan 8.230 nan 0.000 0.436 249 Q N -0.872 118.937 119.800 0.014 0.000 2.096 249 Q HA -0.285 4.055 4.340 -0.000 0.000 0.204 249 Q C 2.140 178.142 176.000 0.004 0.000 0.982 249 Q CA 2.236 58.038 55.803 -0.003 0.000 0.850 249 Q CB -0.102 28.629 28.738 -0.011 0.000 0.901 249 Q HN 0.666 nan 8.270 nan 0.000 0.422 250 Q N -0.711 119.098 119.800 0.014 0.000 2.083 250 Q HA -0.064 4.276 4.340 -0.000 0.000 0.198 250 Q C 2.075 178.103 176.000 0.047 0.000 0.969 250 Q CA 1.157 56.974 55.803 0.023 0.000 0.838 250 Q CB -0.218 28.533 28.738 0.022 0.000 0.900 250 Q HN 0.568 nan 8.270 nan 0.000 0.436 251 G N 0.997 109.833 108.800 0.059 0.000 2.442 251 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.219 251 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.219 251 G C 1.404 176.374 174.900 0.115 0.000 1.141 251 G CA 0.646 45.802 45.100 0.094 0.000 0.763 251 G HN 0.229 nan 8.290 nan 0.000 0.554 252 I N 0.208 120.826 120.570 0.080 0.000 2.226 252 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 252 I C 3.032 179.183 176.117 0.056 0.000 1.100 252 I CA 1.164 62.500 61.300 0.059 0.000 1.374 252 I CB -0.267 37.708 38.000 -0.043 0.000 1.057 252 I HN 0.259 nan 8.210 nan 0.000 0.413 253 Q N 0.460 120.278 119.800 0.030 0.000 2.124 253 Q HA -0.171 4.169 4.340 -0.000 0.000 0.202 253 Q C 2.367 178.405 176.000 0.062 0.000 0.977 253 Q CA 1.310 57.125 55.803 0.019 0.000 0.850 253 Q CB -0.115 28.622 28.738 -0.001 0.000 0.901 253 Q HN 0.532 nan 8.270 nan 0.000 0.429 254 L N 0.034 121.319 121.223 0.104 0.000 2.141 254 L HA -0.117 4.223 4.340 -0.000 0.000 0.209 254 L C 2.390 179.419 176.870 0.265 0.000 1.094 254 L CA 0.749 55.689 54.840 0.166 0.000 0.763 254 L CB -0.476 41.687 42.059 0.174 0.000 0.908 254 L HN 0.192 nan 8.230 nan 0.000 0.437 255 A N -0.807 122.167 122.820 0.257 0.000 2.121 255 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 255 A C 2.045 179.865 177.584 0.394 0.000 1.154 255 A CA 1.099 53.347 52.037 0.352 0.000 0.679 255 A CB -0.229 19.010 19.000 0.398 0.000 0.795 255 A HN 0.483 nan 8.150 nan 0.000 0.458 256 Q N -0.116 119.826 119.800 0.237 0.000 2.247 256 Q HA 0.193 4.533 4.340 -0.000 0.000 0.204 256 Q C -0.082 175.943 176.000 0.042 0.000 0.872 256 Q CA -0.321 55.561 55.803 0.133 0.000 0.951 256 Q CB 0.436 29.172 28.738 -0.003 0.000 1.099 256 Q HN 0.496 nan 8.270 nan 0.000 0.501 257 S N 0.880 116.587 115.700 0.012 0.000 2.579 257 S HA 0.212 4.682 4.470 -0.000 0.000 0.275 257 S C 0.066 174.458 174.600 -0.347 0.000 1.345 257 S CA -0.119 57.931 58.200 -0.249 0.000 1.031 257 S CB 0.562 63.486 63.200 -0.461 0.000 0.892 257 S HN 0.230 nan 8.310 nan 0.000 0.529 258 R N 1.444 121.706 120.500 -0.397 0.000 2.198 258 R HA 0.247 4.587 4.340 -0.000 0.000 0.339 258 R C -0.376 175.727 176.300 -0.329 0.000 1.020 258 R CA -0.144 55.833 56.100 -0.204 0.000 0.864 258 R CB 0.440 30.608 30.300 -0.221 0.000 1.105 258 R HN 0.690 nan 8.270 nan 0.000 0.463 259 Y N 0.672 120.986 120.300 0.022 0.000 2.479 259 Y HA 0.142 4.692 4.550 0.000 0.000 0.283 259 Y C 0.161 175.779 175.900 -0.470 0.000 1.109 259 Y CA 0.294 58.250 58.100 -0.241 0.000 1.239 259 Y CB 0.533 38.844 38.460 -0.248 0.000 1.108 259 Y HN 0.461 nan 8.280 nan 0.000 0.548 260 W N -0.271 121.194 121.300 0.276 0.000 3.107 260 W HA 0.568 5.228 4.660 0.000 0.000 0.331 260 W C -0.889 175.729 176.519 0.164 0.000 1.204 260 W CA -0.978 56.484 57.345 0.195 0.000 1.184 260 W CB 1.182 30.741 29.460 0.167 0.000 1.421 260 W HN -0.459 nan 8.180 nan 0.000 0.544 261 Q N 1.220 121.214 119.800 0.322 0.000 2.356 261 Q HA 0.651 4.991 4.340 -0.000 0.000 0.270 261 Q C -1.302 174.708 176.000 0.017 0.000 1.058 261 Q CA -0.510 55.300 55.803 0.012 0.000 0.802 261 Q CB 2.528 31.188 28.738 -0.131 0.000 1.303 261 Q HN 0.440 nan 8.270 nan 0.000 0.444 262 T N 2.476 116.988 114.554 -0.070 0.000 2.965 262 T HA 0.607 4.957 4.350 -0.000 0.000 0.306 262 T C 0.313 174.954 174.700 -0.098 0.000 0.991 262 T CA 0.750 62.819 62.100 -0.052 0.000 1.001 262 T CB 0.605 69.462 68.868 -0.019 0.000 0.984 262 T HN 1.044 nan 8.240 nan 0.000 0.446 263 G N 5.462 114.206 108.800 -0.093 0.000 2.583 263 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.292 263 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.292 263 G C 0.341 175.153 174.900 -0.146 0.000 1.203 263 G CA 0.752 45.795 45.100 -0.095 0.000 0.987 263 G HN 0.984 nan 8.290 nan 0.000 0.554 264 D N 0.231 120.555 120.400 -0.127 0.000 2.342 264 D HA 0.287 4.927 4.640 -0.000 0.000 0.221 264 D C 1.081 177.287 176.300 -0.156 0.000 1.101 264 D CA 0.363 54.285 54.000 -0.131 0.000 0.837 264 D CB 0.071 40.829 40.800 -0.071 0.000 0.938 264 D HN 0.565 nan 8.370 nan 0.000 0.508 265 M N 0.657 120.141 119.600 -0.194 0.000 2.404 265 M HA 0.417 4.897 4.480 -0.000 0.000 0.338 265 M C -1.683 174.476 176.300 -0.236 0.000 1.150 265 M CA -0.707 54.547 55.300 -0.076 0.000 1.016 265 M CB 1.754 34.391 32.600 0.062 0.000 1.672 265 M HN -0.191 nan 8.290 nan 0.000 0.448 266 Y N 1.742 122.149 120.300 0.177 0.000 2.393 266 Y HA 0.377 4.927 4.550 -0.000 0.000 0.341 266 Y C -0.333 175.726 175.900 0.265 0.000 0.988 266 Y CA -0.660 57.558 58.100 0.196 0.000 1.078 266 Y CB 1.674 40.216 38.460 0.136 0.000 1.203 266 Y HN 0.550 nan 8.280 nan 0.000 0.453 267 Q N 1.899 121.977 119.800 0.463 0.000 2.274 267 Q HA 0.572 4.912 4.340 -0.000 0.000 0.256 267 Q C -0.042 176.257 176.000 0.499 0.000 0.927 267 Q CA -0.188 55.892 55.803 0.461 0.000 0.939 267 Q CB 1.213 30.234 28.738 0.472 0.000 1.201 267 Q HN 0.893 nan 8.270 nan 0.000 0.426 268 G N 2.754 111.822 108.800 0.447 0.000 2.890 268 G HA2 0.497 4.457 3.960 -0.000 0.000 0.189 268 G HA3 0.497 4.457 3.960 -0.000 0.000 0.189 268 G C -0.972 174.118 174.900 0.317 0.000 1.342 268 G CA -0.840 44.554 45.100 0.489 0.000 1.026 268 G HN 0.589 nan 8.290 nan 0.000 0.579 269 L N 1.202 122.583 121.223 0.262 0.000 2.270 269 L HA 0.450 4.790 4.340 -0.000 0.000 0.286 269 L C 1.377 178.304 176.870 0.095 0.000 1.059 269 L CA 0.458 55.320 54.840 0.037 0.000 0.839 269 L CB 0.494 42.571 42.059 0.030 0.000 1.221 269 L HN 1.049 nan 8.230 nan 0.000 0.431 270 G N 2.195 111.020 108.800 0.042 0.000 4.039 270 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.220 270 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.220 270 G C 0.014 174.958 174.900 0.073 0.000 1.391 270 G CA -0.170 44.946 45.100 0.027 0.000 0.920 270 G HN 0.511 nan 8.290 nan 0.000 0.599 271 W N 2.209 123.649 121.300 0.232 0.000 2.137 271 W HA 0.585 5.245 4.660 -0.000 0.000 0.344 271 W C 0.826 177.499 176.519 0.257 0.000 1.286 271 W CA -0.160 57.320 57.345 0.224 0.000 1.240 271 W CB 0.409 29.972 29.460 0.171 0.000 1.141 271 W HN 0.315 nan 8.180 nan 0.000 0.579 272 E N 1.390 121.950 120.200 0.600 0.000 2.238 272 E HA 0.542 4.892 4.350 -0.000 0.000 0.267 272 E C -0.857 176.047 176.600 0.506 0.000 0.887 272 E CA -1.081 55.633 56.400 0.523 0.000 0.769 272 E CB 1.728 31.730 29.700 0.502 0.000 1.187 272 E HN 0.167 nan 8.360 nan 0.000 0.416 273 M N 1.984 121.825 119.600 0.403 0.000 2.572 273 M HA 0.507 4.987 4.480 -0.000 0.000 0.299 273 M C -1.503 175.009 176.300 0.354 0.000 1.205 273 M CA -0.420 55.053 55.300 0.289 0.000 0.876 273 M CB 1.719 34.422 32.600 0.172 0.000 1.728 273 M HN 0.300 nan 8.290 nan 0.000 0.458 274 L N 0.238 121.636 121.223 0.291 0.000 2.393 274 L HA 0.558 4.898 4.340 -0.000 0.000 0.260 274 L C -0.815 176.211 176.870 0.260 0.000 1.002 274 L CA -0.709 54.309 54.840 0.297 0.000 0.818 274 L CB 1.908 44.059 42.059 0.154 0.000 1.369 274 L HN 0.551 nan 8.230 nan 0.000 0.412 275 D N 0.631 121.171 120.400 0.233 0.000 2.399 275 D HA 0.001 4.641 4.640 -0.000 0.000 0.241 275 D C -0.969 175.452 176.300 0.202 0.000 1.133 275 D CA 0.198 54.301 54.000 0.172 0.000 0.890 275 D CB 1.156 42.027 40.800 0.119 0.000 1.201 275 D HN 0.351 nan 8.370 nan 0.000 0.432 276 W N 4.049 125.402 121.300 0.088 0.000 2.520 276 W HA 0.288 4.948 4.660 -0.000 0.000 0.323 276 W C -2.334 174.235 176.519 0.084 0.000 1.062 276 W CA -1.866 55.551 57.345 0.122 0.000 1.215 276 W CB 1.245 30.792 29.460 0.146 0.000 1.340 276 W HN 0.224 nan 8.180 nan 0.000 0.516 277 P HA 0.108 nan 4.420 nan 0.000 0.271 277 P C -0.849 176.074 177.300 -0.627 0.000 1.216 277 P CA -0.060 62.272 63.100 -1.280 0.000 0.776 277 P CB 2.293 33.500 31.700 -0.822 0.000 0.881 278 V N 2.370 121.893 119.914 -0.653 0.000 2.834 278 V HA 0.331 4.451 4.120 -0.000 0.000 0.313 278 V C -0.001 175.768 176.094 -0.541 0.000 1.060 278 V CA -0.864 61.193 62.300 -0.406 0.000 0.989 278 V CB 1.622 33.266 31.823 -0.299 0.000 1.041 278 V HN 0.673 nan 8.190 nan 0.000 0.459 279 N N 4.815 123.236 118.700 -0.465 0.000 2.420 279 N HA 0.431 5.171 4.740 -0.000 0.000 0.249 279 N C -1.977 173.141 175.510 -0.654 0.000 1.033 279 N CA -2.043 50.717 53.050 -0.484 0.000 0.944 279 N CB 1.702 40.005 38.487 -0.308 0.000 1.113 279 N HN 0.292 nan 8.380 nan 0.000 0.502 280 P HA -0.098 nan 4.420 nan 0.000 0.215 280 P C 0.438 177.389 177.300 -0.582 0.000 1.153 280 P CA 1.080 63.532 63.100 -1.080 0.000 0.853 280 P CB 0.347 31.110 31.700 -1.561 0.000 0.788 281 D N -0.762 119.384 120.400 -0.423 0.000 2.133 281 D HA -0.157 4.483 4.640 -0.000 0.000 0.195 281 D C 2.080 178.242 176.300 -0.229 0.000 0.997 281 D CA 1.403 55.245 54.000 -0.264 0.000 0.840 281 D CB -0.875 39.804 40.800 -0.202 0.000 0.947 281 D HN 0.145 nan 8.370 nan 0.000 0.452 282 S N 0.496 116.043 115.700 -0.253 0.000 2.356 282 S HA -0.125 4.345 4.470 -0.000 0.000 0.223 282 S C 2.222 176.723 174.600 -0.164 0.000 1.032 282 S CA 1.228 59.314 58.200 -0.190 0.000 1.005 282 S CB -0.271 62.817 63.200 -0.186 0.000 0.867 282 S HN 0.399 nan 8.310 nan 0.000 0.449 283 I N -0.968 119.461 120.570 -0.235 0.000 2.439 283 I HA 0.021 4.191 4.170 -0.000 0.000 0.251 283 I C 2.109 178.183 176.117 -0.072 0.000 1.139 283 I CA 1.047 62.270 61.300 -0.130 0.000 1.438 283 I CB -0.553 37.283 38.000 -0.272 0.000 1.085 283 I HN 0.233 nan 8.210 nan 0.000 0.427 284 I N 2.335 122.812 120.570 -0.154 0.000 2.133 284 I HA -0.253 3.917 4.170 -0.000 0.000 0.238 284 I C 2.234 178.302 176.117 -0.082 0.000 1.074 284 I CA 2.142 63.376 61.300 -0.109 0.000 1.342 284 I CB -0.678 37.242 38.000 -0.133 0.000 1.053 284 I HN 0.286 nan 8.210 nan 0.000 0.404 285 N N 0.516 119.160 118.700 -0.093 0.000 2.244 285 N HA -0.104 4.636 4.740 -0.000 0.000 0.183 285 N C 1.903 177.379 175.510 -0.057 0.000 1.016 285 N CA 0.969 53.976 53.050 -0.072 0.000 0.866 285 N CB -0.277 38.164 38.487 -0.076 0.000 0.980 285 N HN 0.390 nan 8.380 nan 0.000 0.430 286 G N 0.452 109.222 108.800 -0.051 0.000 2.509 286 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 286 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 286 G C 1.526 176.415 174.900 -0.019 0.000 1.124 286 G CA 0.899 45.983 45.100 -0.027 0.000 0.776 286 G HN 0.422 nan 8.290 nan 0.000 0.547 287 S N -0.382 115.306 115.700 -0.021 0.000 2.527 287 S HA 0.029 4.499 4.470 -0.000 0.000 0.222 287 S C 0.769 175.325 174.600 -0.073 0.000 0.985 287 S CA -0.057 58.117 58.200 -0.043 0.000 0.921 287 S CB 0.035 63.205 63.200 -0.051 0.000 0.772 287 S HN 0.270 nan 8.310 nan 0.000 0.529 288 D N 2.106 122.469 120.400 -0.061 0.000 2.458 288 D HA 0.069 4.709 4.640 -0.000 0.000 0.243 288 D C 0.523 176.787 176.300 -0.061 0.000 1.146 288 D CA 0.243 54.209 54.000 -0.057 0.000 0.877 288 D CB 0.325 41.099 40.800 -0.044 0.000 1.176 288 D HN 0.366 nan 8.370 nan 0.000 0.461 289 N N 2.577 121.242 118.700 -0.059 0.000 2.348 289 N HA -0.183 4.557 4.740 -0.000 0.000 0.185 289 N C 1.332 176.819 175.510 -0.038 0.000 1.019 289 N CA 0.871 53.886 53.050 -0.059 0.000 0.880 289 N CB 0.228 38.691 38.487 -0.041 0.000 0.965 289 N HN 0.455 nan 8.380 nan 0.000 0.437 290 K N 0.615 120.998 120.400 -0.028 0.000 2.074 290 K HA -0.141 4.179 4.320 -0.000 0.000 0.209 290 K C 1.634 178.222 176.600 -0.021 0.000 1.048 290 K CA 1.144 57.420 56.287 -0.017 0.000 0.926 290 K CB -0.060 32.430 32.500 -0.017 0.000 0.713 290 K HN 0.279 nan 8.250 nan 0.000 0.444 291 I N 0.288 120.837 120.570 -0.034 0.000 2.556 291 I HA -0.054 4.116 4.170 -0.000 0.000 0.251 291 I C 2.438 178.525 176.117 -0.051 0.000 1.105 291 I CA 0.437 61.715 61.300 -0.037 0.000 1.436 291 I CB -0.209 37.767 38.000 -0.040 0.000 1.139 291 I HN 0.093 nan 8.210 nan 0.000 0.438 292 A N 1.033 123.806 122.820 -0.078 0.000 2.024 292 A HA -0.092 4.228 4.320 -0.000 0.000 0.220 292 A C 2.057 179.549 177.584 -0.153 0.000 1.164 292 A CA 1.378 53.332 52.037 -0.139 0.000 0.643 292 A CB -0.636 18.247 19.000 -0.195 0.000 0.806 292 A HN 0.448 nan 8.150 nan 0.000 0.451 293 L N -1.078 120.097 121.223 -0.080 0.000 2.667 293 L HA 0.316 4.656 4.340 -0.000 0.000 0.232 293 L C 0.974 177.864 176.870 0.033 0.000 1.138 293 L CA -0.126 54.711 54.840 -0.005 0.000 0.921 293 L CB -0.200 41.874 42.059 0.024 0.000 1.180 293 L HN 0.338 nan 8.230 nan 0.000 0.487 294 A N 0.684 123.510 122.820 0.009 0.000 2.293 294 A HA 0.732 5.052 4.320 -0.000 0.000 0.302 294 A C 0.397 177.984 177.584 0.005 0.000 1.119 294 A CA -0.273 51.777 52.037 0.022 0.000 0.823 294 A CB 0.637 19.639 19.000 0.003 0.000 1.097 294 A HN 0.184 nan 8.150 nan 0.000 0.491 295 A N 1.982 124.805 122.820 0.006 0.000 2.462 295 A HA 0.578 4.898 4.320 -0.000 0.000 0.243 295 A C 0.344 177.824 177.584 -0.172 0.000 1.076 295 A CA -0.025 51.938 52.037 -0.123 0.000 0.773 295 A CB 0.139 18.989 19.000 -0.250 0.000 1.010 295 A HN 0.739 nan 8.150 nan 0.000 0.493 296 R N 1.884 122.255 120.500 -0.215 0.000 2.604 296 R HA 0.454 4.794 4.340 -0.000 0.000 0.281 296 R C -3.152 173.016 176.300 -0.221 0.000 1.020 296 R CA -1.939 54.057 56.100 -0.173 0.000 0.899 296 R CB 2.105 32.347 30.300 -0.096 0.000 1.205 296 R HN 0.556 nan 8.270 nan 0.000 0.450 297 P HA 0.107 nan 4.420 nan 0.000 0.271 297 P C -0.213 177.025 177.300 -0.104 0.000 1.216 297 P CA -0.238 62.754 63.100 -0.180 0.000 0.776 297 P CB 0.923 32.544 31.700 -0.131 0.000 0.881 298 V N 0.002 119.864 119.914 -0.086 0.000 2.815 298 V HA 0.605 4.725 4.120 -0.000 0.000 0.314 298 V C -0.220 175.979 176.094 0.175 0.000 1.064 298 V CA -0.978 61.345 62.300 0.039 0.000 0.952 298 V CB 2.354 34.151 31.823 -0.043 0.000 1.020 298 V HN 0.297 nan 8.190 nan 0.000 0.439 299 K N 2.213 122.770 120.400 0.262 0.000 2.274 299 K HA 0.732 5.052 4.320 -0.000 0.000 0.262 299 K C -0.096 176.730 176.600 0.377 0.000 0.961 299 K CA -0.338 56.103 56.287 0.257 0.000 0.833 299 K CB 2.180 34.765 32.500 0.140 0.000 1.102 299 K HN 1.069 nan 8.250 nan 0.000 0.436 300 A N 4.096 127.113 122.820 0.327 0.000 2.462 300 A HA 0.284 4.604 4.320 -0.000 0.000 0.243 300 A C 0.191 177.738 177.584 -0.062 0.000 1.076 300 A CA -0.174 51.840 52.037 -0.038 0.000 0.773 300 A CB -0.061 18.844 19.000 -0.158 0.000 1.010 300 A HN 0.723 nan 8.150 nan 0.000 0.493 301 I N 2.530 122.996 120.570 -0.173 0.000 2.306 301 I HA 0.197 4.367 4.170 -0.000 0.000 0.288 301 I C -0.252 175.777 176.117 -0.147 0.000 1.036 301 I CA 0.056 61.303 61.300 -0.088 0.000 1.221 301 I CB 1.129 39.096 38.000 -0.055 0.000 1.385 301 I HN 0.535 nan 8.210 nan 0.000 0.472 302 T N 6.565 121.065 114.554 -0.091 0.000 2.874 302 T HA 0.397 4.747 4.350 -0.000 0.000 0.321 302 T C -1.664 173.001 174.700 -0.057 0.000 1.075 302 T CA -0.961 61.090 62.100 -0.082 0.000 0.966 302 T CB 0.719 69.556 68.868 -0.052 0.000 1.001 302 T HN 0.459 nan 8.240 nan 0.000 0.476 303 P HA 0.515 nan 4.420 nan 0.000 0.281 303 P C -3.032 174.187 177.300 -0.134 0.000 1.281 303 P CA -2.049 60.998 63.100 -0.089 0.000 0.811 303 P CB 0.059 31.720 31.700 -0.065 0.000 1.154 304 P HA 0.083 nan 4.420 nan 0.000 0.266 304 P C -0.326 176.817 177.300 -0.263 0.000 1.195 304 P CA 0.382 63.293 63.100 -0.315 0.000 0.768 304 P CB -0.002 31.360 31.700 -0.564 0.000 0.838 305 T N 5.491 119.889 114.554 -0.260 0.000 2.814 305 T HA 0.236 4.586 4.350 -0.000 0.000 0.297 305 T C -2.107 172.458 174.700 -0.225 0.000 0.956 305 T CA -0.985 60.989 62.100 -0.211 0.000 1.123 305 T CB -0.115 68.621 68.868 -0.220 0.000 0.902 305 T HN 0.269 nan 8.240 nan 0.000 0.528 306 P HA 0.211 nan 4.420 nan 0.000 0.270 306 P C -0.542 176.679 177.300 -0.132 0.000 1.223 306 P CA -0.484 62.534 63.100 -0.136 0.000 0.785 306 P CB 0.312 31.956 31.700 -0.094 0.000 0.923 307 A N 2.288 125.045 122.820 -0.105 0.000 2.583 307 A HA 0.027 4.346 4.320 -0.000 0.000 0.249 307 A C 0.170 177.696 177.584 -0.097 0.000 1.035 307 A CA 0.316 52.296 52.037 -0.095 0.000 0.777 307 A CB -0.874 18.085 19.000 -0.068 0.000 0.942 307 A HN 0.367 nan 8.150 nan 0.000 0.516 308 V N 6.212 126.059 119.914 -0.110 0.000 2.408 308 V HA 0.109 4.229 4.120 -0.000 0.000 0.267 308 V C 1.579 177.631 176.094 -0.070 0.000 1.047 308 V CA -0.228 62.016 62.300 -0.094 0.000 0.937 308 V CB 0.760 32.512 31.823 -0.118 0.000 0.999 308 V HN 1.061 nan 8.190 nan 0.000 0.472 309 R N 3.677 124.144 120.500 -0.055 0.000 2.091 309 R HA -0.073 4.267 4.340 -0.000 0.000 0.238 309 R C 1.338 177.618 176.300 -0.032 0.000 1.136 309 R CA 1.461 57.531 56.100 -0.051 0.000 0.959 309 R CB -0.090 30.181 30.300 -0.048 0.000 0.856 309 R HN 0.740 nan 8.270 nan 0.000 0.437 310 A N 1.620 124.448 122.820 0.014 0.000 3.063 310 A HA 0.245 4.565 4.320 -0.000 0.000 0.263 310 A C -0.554 177.126 177.584 0.159 0.000 1.736 310 A CA 0.098 52.197 52.037 0.102 0.000 1.408 310 A CB 0.055 19.141 19.000 0.144 0.000 1.108 310 A HN 0.066 nan 8.150 nan 0.000 0.621 311 S N 0.548 116.307 115.700 0.098 0.000 2.570 311 S HA 0.561 5.031 4.470 -0.000 0.000 0.286 311 S C -1.032 173.643 174.600 0.124 0.000 1.099 311 S CA -0.590 57.683 58.200 0.121 0.000 0.913 311 S CB 1.280 64.465 63.200 -0.024 0.000 1.085 311 S HN 0.696 nan 8.310 nan 0.000 0.480 312 W N 3.598 124.921 121.300 0.039 0.000 2.314 312 W HA 0.591 5.251 4.660 -0.000 0.000 0.310 312 W C -1.929 174.444 176.519 -0.244 0.000 1.075 312 W CA -0.534 56.790 57.345 -0.034 0.000 1.253 312 W CB 0.640 30.193 29.460 0.156 0.000 1.238 312 W HN 0.342 nan 8.180 nan 0.000 0.440 313 V N 7.619 127.054 119.914 -0.798 0.000 2.459 313 V HA 0.441 4.561 4.120 -0.000 0.000 0.295 313 V C -0.075 175.621 176.094 -0.664 0.000 1.029 313 V CA -0.350 61.461 62.300 -0.814 0.000 0.874 313 V CB 1.358 32.155 31.823 -1.711 0.000 0.985 313 V HN 0.688 nan 8.190 nan 0.000 0.438 314 H N 2.563 121.582 119.070 -0.085 0.000 2.948 314 H HA 0.897 5.453 4.556 -0.000 0.000 0.315 314 H C -1.320 174.281 175.328 0.455 0.000 1.360 314 H CA -1.281 54.845 56.048 0.130 0.000 1.125 314 H CB 2.195 32.066 29.762 0.181 0.000 1.844 314 H HN 0.440 nan 8.280 nan 0.000 0.529 315 K N 1.134 121.666 120.400 0.221 0.000 2.570 315 K HA 0.263 4.583 4.320 -0.000 0.000 0.256 315 K C -1.369 175.349 176.600 0.195 0.000 0.939 315 K CA -0.036 56.326 56.287 0.125 0.000 0.833 315 K CB 2.090 34.652 32.500 0.103 0.000 1.318 315 K HN 0.925 nan 8.250 nan 0.000 0.433 316 T N -0.113 114.563 114.554 0.204 0.000 2.918 316 T HA 0.870 5.220 4.350 -0.000 0.000 0.283 316 T C 0.308 175.117 174.700 0.181 0.000 1.001 316 T CA -0.489 61.776 62.100 0.275 0.000 1.041 316 T CB 1.625 70.557 68.868 0.107 0.000 1.028 316 T HN 0.655 nan 8.240 nan 0.000 0.511 317 G N -0.726 108.182 108.800 0.179 0.000 2.746 317 G HA2 0.742 4.702 3.960 -0.000 0.000 0.297 317 G HA3 0.742 4.702 3.960 -0.000 0.000 0.297 317 G C -1.516 173.477 174.900 0.156 0.000 1.426 317 G CA -0.560 44.645 45.100 0.175 0.000 0.989 317 G HN 1.134 nan 8.290 nan 0.000 0.520 318 A N 0.543 123.453 122.820 0.149 0.000 2.594 318 A HA 0.982 5.302 4.320 -0.000 0.000 0.295 318 A C -0.034 177.632 177.584 0.136 0.000 1.071 318 A CA 0.097 52.224 52.037 0.150 0.000 0.685 318 A CB 1.639 20.694 19.000 0.092 0.000 1.285 318 A HN 1.872 nan 8.150 nan 0.000 0.405 319 T N -2.119 112.549 114.554 0.190 0.000 2.693 319 T HA 0.639 4.989 4.350 -0.000 0.000 0.278 319 T C 1.335 176.130 174.700 0.159 0.000 0.994 319 T CA 0.151 62.335 62.100 0.141 0.000 1.033 319 T CB 0.928 69.927 68.868 0.219 0.000 1.342 319 T HN 1.601 nan 8.240 nan 0.000 0.538 320 G N -0.282 108.598 108.800 0.132 0.000 2.442 320 G HA2 0.154 4.114 3.960 -0.000 0.000 0.219 320 G HA3 0.154 4.114 3.960 -0.000 0.000 0.219 320 G C 1.122 176.109 174.900 0.145 0.000 1.141 320 G CA 0.656 45.825 45.100 0.116 0.000 0.763 320 G HN 1.193 nan 8.290 nan 0.000 0.554 321 G N -1.402 107.525 108.800 0.212 0.000 3.519 321 G HA2 0.495 4.455 3.960 -0.000 0.000 0.269 321 G HA3 0.495 4.455 3.960 -0.000 0.000 0.269 321 G C -0.463 174.439 174.900 0.002 0.000 1.028 321 G CA -0.483 44.674 45.100 0.094 0.000 0.809 321 G HN 0.191 nan 8.290 nan 0.000 0.521 322 F N -0.495 119.582 119.950 0.213 0.000 2.603 322 F HA 0.716 5.243 4.527 -0.000 0.000 0.317 322 F C 0.315 176.244 175.800 0.215 0.000 1.066 322 F CA -0.980 57.181 58.000 0.270 0.000 0.941 322 F CB 2.580 41.758 39.000 0.296 0.000 1.291 322 F HN 0.017 nan 8.300 nan 0.000 0.472 323 G N 0.757 109.824 108.800 0.446 0.000 2.739 323 G HA2 0.551 4.511 3.960 -0.000 0.000 0.291 323 G HA3 0.551 4.511 3.960 -0.000 0.000 0.291 323 G C -1.609 173.448 174.900 0.261 0.000 1.478 323 G CA -0.712 44.525 45.100 0.229 0.000 1.062 323 G HN 0.728 nan 8.290 nan 0.000 0.532 324 S N 0.881 116.713 115.700 0.220 0.000 2.634 324 S HA 0.869 5.339 4.470 -0.000 0.000 0.296 324 S C -1.389 173.397 174.600 0.310 0.000 1.104 324 S CA -1.017 57.334 58.200 0.251 0.000 0.920 324 S CB 2.492 65.832 63.200 0.233 0.000 1.111 324 S HN 1.099 nan 8.310 nan 0.000 0.493 325 Y N -0.041 120.364 120.300 0.175 0.000 2.519 325 Y HA 0.632 5.182 4.550 -0.000 0.000 0.336 325 Y C -2.009 174.045 175.900 0.257 0.000 1.089 325 Y CA -0.918 57.301 58.100 0.199 0.000 1.025 325 Y CB 1.582 40.160 38.460 0.195 0.000 1.318 325 Y HN 0.768 nan 8.280 nan 0.000 0.452 326 V N 4.282 123.989 119.914 -0.345 0.000 2.686 326 V HA 0.969 5.089 4.120 -0.000 0.000 0.306 326 V C -0.943 174.913 176.094 -0.397 0.000 1.065 326 V CA -0.262 61.959 62.300 -0.132 0.000 0.894 326 V CB 1.525 33.534 31.823 0.310 0.000 1.004 326 V HN 1.028 nan 8.190 nan 0.000 0.424 327 A N 4.669 127.296 122.820 -0.323 0.000 2.520 327 A HA 1.036 5.356 4.320 -0.000 0.000 0.298 327 A C -1.308 176.009 177.584 -0.443 0.000 1.051 327 A CA -0.511 51.201 52.037 -0.543 0.000 0.690 327 A CB 1.803 20.394 19.000 -0.682 0.000 1.281 327 A HN 1.480 nan 8.150 nan 0.000 0.402 328 F N -0.727 118.769 119.950 -0.757 0.000 2.686 328 F HA 0.837 5.364 4.527 -0.000 0.000 0.311 328 F C -1.441 173.995 175.800 -0.607 0.000 1.128 328 F CA -1.241 56.391 58.000 -0.614 0.000 0.946 328 F CB 1.299 40.004 39.000 -0.491 0.000 1.336 328 F HN 0.319 nan 8.300 nan 0.000 0.457 329 I N 2.290 122.672 120.570 -0.313 0.000 2.466 329 I HA 0.319 4.489 4.170 -0.000 0.000 0.279 329 I C -2.138 173.868 176.117 -0.185 0.000 1.033 329 I CA -1.888 59.197 61.300 -0.358 0.000 1.123 329 I CB 1.931 39.583 38.000 -0.579 0.000 1.237 329 I HN 0.379 nan 8.210 nan 0.000 0.460 330 P HA -0.225 nan 4.420 nan 0.000 0.215 330 P C 1.378 178.610 177.300 -0.114 0.000 1.157 330 P CA 1.332 64.391 63.100 -0.068 0.000 0.874 330 P CB 0.324 31.995 31.700 -0.048 0.000 0.790 331 E N -0.454 119.674 120.200 -0.121 0.000 2.204 331 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 331 E C 1.146 177.666 176.600 -0.134 0.000 0.990 331 E CA 0.935 57.272 56.400 -0.105 0.000 0.821 331 E CB -0.024 29.634 29.700 -0.070 0.000 0.750 331 E HN 0.131 nan 8.360 nan 0.000 0.477 332 K N 0.099 120.381 120.400 -0.196 0.000 2.358 332 K HA 0.054 4.374 4.320 -0.000 0.000 0.197 332 K C -0.172 176.310 176.600 -0.197 0.000 1.025 332 K CA 0.134 56.298 56.287 -0.205 0.000 1.104 332 K CB 0.637 32.966 32.500 -0.286 0.000 0.855 332 K HN 0.122 nan 8.250 nan 0.000 0.531 333 E N 0.768 120.862 120.200 -0.177 0.000 2.440 333 E HA -0.228 4.122 4.350 -0.000 0.000 0.246 333 E C -0.647 175.851 176.600 -0.169 0.000 1.165 333 E CA 0.348 56.646 56.400 -0.171 0.000 0.726 333 E CB -1.607 27.987 29.700 -0.175 0.000 1.271 333 E HN 0.100 nan 8.360 nan 0.000 0.397 334 L N -0.403 120.722 121.223 -0.162 0.000 2.365 334 L HA 0.792 5.132 4.340 -0.000 0.000 0.273 334 L C 0.105 176.911 176.870 -0.106 0.000 1.000 334 L CA 0.232 55.001 54.840 -0.119 0.000 0.819 334 L CB 2.082 44.057 42.059 -0.141 0.000 1.284 334 L HN 0.063 nan 8.230 nan 0.000 0.418 335 G N 4.039 112.809 108.800 -0.051 0.000 2.623 335 G HA2 0.617 4.577 3.960 -0.000 0.000 0.290 335 G HA3 0.617 4.577 3.960 -0.000 0.000 0.290 335 G C -2.239 172.666 174.900 0.009 0.000 1.437 335 G CA -0.460 44.613 45.100 -0.044 0.000 0.798 335 G HN 0.812 nan 8.290 nan 0.000 0.488 336 I N -0.211 120.371 120.570 0.020 0.000 2.827 336 I HA 0.674 4.844 4.170 -0.000 0.000 0.298 336 I C -1.349 174.838 176.117 0.116 0.000 1.235 336 I CA -0.969 60.388 61.300 0.095 0.000 1.021 336 I CB 2.337 40.421 38.000 0.141 0.000 1.259 336 I HN 0.395 nan 8.210 nan 0.000 0.427 337 V N 7.220 127.237 119.914 0.172 0.000 2.588 337 V HA 0.544 4.664 4.120 -0.000 0.000 0.304 337 V C -0.508 175.725 176.094 0.231 0.000 1.042 337 V CA -0.452 61.966 62.300 0.196 0.000 0.877 337 V CB 1.815 33.764 31.823 0.211 0.000 0.996 337 V HN 0.649 nan 8.190 nan 0.000 0.425 338 M N 6.068 125.818 119.600 0.250 0.000 2.142 338 M HA 0.608 5.088 4.480 -0.000 0.000 0.299 338 M C -1.339 175.074 176.300 0.188 0.000 0.960 338 M CA -0.141 55.313 55.300 0.256 0.000 0.920 338 M CB 1.933 34.736 32.600 0.340 0.000 1.541 338 M HN 0.388 nan 8.290 nan 0.000 0.429 339 L N 2.840 124.075 121.223 0.021 0.000 2.341 339 L HA 1.001 5.341 4.340 -0.000 0.000 0.278 339 L C -0.396 176.350 176.870 -0.206 0.000 1.005 339 L CA -0.693 54.019 54.840 -0.213 0.000 0.818 339 L CB 1.844 43.430 42.059 -0.788 0.000 1.259 339 L HN 0.809 nan 8.230 nan 0.000 0.418 340 A N 1.831 124.775 122.820 0.208 0.000 2.498 340 A HA 0.607 4.927 4.320 -0.000 0.000 0.298 340 A C -0.566 177.406 177.584 0.647 0.000 1.075 340 A CA -0.756 51.547 52.037 0.443 0.000 0.714 340 A CB 1.359 20.634 19.000 0.458 0.000 1.299 340 A HN 0.755 nan 8.150 nan 0.000 0.407 341 N N 0.920 119.932 118.700 0.521 0.000 2.575 341 N HA 0.212 4.952 4.740 -0.000 0.000 0.275 341 N C -0.524 175.006 175.510 0.033 0.000 1.202 341 N CA -0.146 52.933 53.050 0.047 0.000 0.945 341 N CB 0.220 38.690 38.487 -0.029 0.000 1.247 341 N HN 0.597 nan 8.380 nan 0.000 0.510 342 K N 0.153 120.672 120.400 0.197 0.000 2.550 342 K HA 0.180 4.500 4.320 -0.000 0.000 0.252 342 K C -1.568 175.221 176.600 0.314 0.000 0.943 342 K CA -0.553 55.864 56.287 0.218 0.000 0.806 342 K CB 1.462 34.092 32.500 0.217 0.000 1.289 342 K HN 0.176 nan 8.250 nan 0.000 0.435 343 N N 4.725 123.561 118.700 0.227 0.000 2.605 343 N HA 0.047 4.787 4.740 -0.000 0.000 0.258 343 N C -0.981 174.627 175.510 0.164 0.000 1.156 343 N CA -0.390 52.764 53.050 0.173 0.000 1.008 343 N CB 0.198 38.762 38.487 0.129 0.000 1.354 343 N HN 0.397 nan 8.380 nan 0.000 0.509 344 Y N 1.737 122.089 120.300 0.086 0.000 2.432 344 Y HA 0.635 5.185 4.550 -0.000 0.000 0.322 344 Y C -2.574 173.352 175.900 0.043 0.000 1.246 344 Y CA -3.424 54.710 58.100 0.056 0.000 1.268 344 Y CB -0.688 37.800 38.460 0.047 0.000 1.276 344 Y HN 0.302 nan 8.280 nan 0.000 0.499 345 P HA -0.055 nan 4.420 nan 0.000 0.257 345 P C 0.166 177.378 177.300 -0.147 0.000 1.162 345 P CA 0.507 63.587 63.100 -0.032 0.000 0.762 345 P CB 0.572 32.299 31.700 0.045 0.000 0.753 346 N N 5.117 123.718 118.700 -0.164 0.000 2.094 346 N HA -0.157 4.583 4.740 -0.000 0.000 0.191 346 N C -0.849 174.566 175.510 -0.159 0.000 1.023 346 N CA 1.870 54.803 53.050 -0.194 0.000 0.857 346 N CB -1.743 36.657 38.487 -0.144 0.000 1.013 346 N HN 0.450 nan 8.380 nan 0.000 0.426 347 P HA -0.051 nan 4.420 nan 0.000 0.218 347 P C 1.052 178.337 177.300 -0.025 0.000 1.148 347 P CA 1.433 64.495 63.100 -0.063 0.000 0.822 347 P CB -0.056 31.619 31.700 -0.040 0.000 0.784 348 A N -0.233 122.604 122.820 0.028 0.000 1.969 348 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 348 A C 2.186 179.861 177.584 0.153 0.000 1.169 348 A CA 1.226 53.332 52.037 0.115 0.000 0.635 348 A CB -0.849 18.285 19.000 0.223 0.000 0.810 348 A HN 0.099 nan 8.150 nan 0.000 0.445 349 R N -0.615 119.931 120.500 0.076 0.000 2.062 349 R HA -0.063 4.277 4.340 -0.000 0.000 0.231 349 R C 1.998 178.237 176.300 -0.101 0.000 1.136 349 R CA 1.516 57.635 56.100 0.033 0.000 0.948 349 R CB -0.671 29.507 30.300 -0.204 0.000 0.845 349 R HN 0.363 nan 8.270 nan 0.000 0.430 350 V N 1.607 121.350 119.914 -0.285 0.000 2.427 350 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 350 V C 1.880 178.044 176.094 0.117 0.000 1.051 350 V CA 2.099 64.281 62.300 -0.197 0.000 1.048 350 V CB -0.575 31.145 31.823 -0.172 0.000 0.666 350 V HN 0.312 nan 8.190 nan 0.000 0.456 351 D N 0.493 120.941 120.400 0.080 0.000 2.104 351 D HA -0.178 4.462 4.640 -0.000 0.000 0.194 351 D C 2.135 178.568 176.300 0.222 0.000 0.994 351 D CA 1.677 55.764 54.000 0.145 0.000 0.830 351 D CB -0.168 40.682 40.800 0.082 0.000 0.959 351 D HN 0.362 nan 8.370 nan 0.000 0.452 352 A N 0.515 123.441 122.820 0.177 0.000 1.877 352 A HA -0.010 4.310 4.320 -0.000 0.000 0.216 352 A C 2.414 180.142 177.584 0.240 0.000 1.186 352 A CA 2.461 54.598 52.037 0.167 0.000 0.620 352 A CB -1.263 17.816 19.000 0.132 0.000 0.822 352 A HN 0.343 nan 8.150 nan 0.000 0.443 353 A N -1.160 121.871 122.820 0.353 0.000 1.908 353 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 353 A C 2.132 180.045 177.584 0.549 0.000 1.181 353 A CA 1.508 53.842 52.037 0.494 0.000 0.627 353 A CB -0.970 18.519 19.000 0.815 0.000 0.818 353 A HN 0.904 nan 8.150 nan 0.000 0.445 354 W N 0.606 122.140 121.300 0.390 0.000 2.355 354 W HA -0.193 4.467 4.660 -0.000 0.000 0.309 354 W C 1.853 178.506 176.519 0.224 0.000 1.206 354 W CA 1.968 59.490 57.345 0.295 0.000 1.284 354 W CB -0.326 29.165 29.460 0.053 0.000 1.145 354 W HN 0.387 nan 8.180 nan 0.000 0.502 355 Q N 0.808 120.666 119.800 0.096 0.000 2.096 355 Q HA -0.214 4.126 4.340 -0.000 0.000 0.204 355 Q C 2.271 178.210 176.000 -0.102 0.000 0.982 355 Q CA 2.179 57.952 55.803 -0.050 0.000 0.850 355 Q CB -0.954 27.826 28.738 0.071 0.000 0.901 355 Q HN 0.504 nan 8.270 nan 0.000 0.422 356 I N 0.203 120.772 120.570 -0.001 0.000 2.193 356 I HA -0.245 3.925 4.170 -0.000 0.000 0.240 356 I C 2.292 178.393 176.117 -0.027 0.000 1.084 356 I CA 0.836 62.132 61.300 -0.007 0.000 1.365 356 I CB -0.274 37.752 38.000 0.044 0.000 1.064 356 I HN 0.111 nan 8.210 nan 0.000 0.410 357 L N 0.341 121.577 121.223 0.022 0.000 2.141 357 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 357 L C 2.232 179.048 176.870 -0.091 0.000 1.094 357 L CA 1.259 56.107 54.840 0.014 0.000 0.763 357 L CB -0.770 41.370 42.059 0.136 0.000 0.908 357 L HN 0.335 nan 8.230 nan 0.000 0.437 358 N N 0.529 119.040 118.700 -0.316 0.000 2.244 358 N HA -0.129 4.611 4.740 -0.000 0.000 0.183 358 N C 1.746 177.141 175.510 -0.191 0.000 1.016 358 N CA 1.313 54.101 53.050 -0.436 0.000 0.866 358 N CB 0.074 37.858 38.487 -1.172 0.000 0.980 358 N HN 0.263 nan 8.380 nan 0.000 0.430 359 A N -0.052 122.673 122.820 -0.158 0.000 1.968 359 A HA 0.058 4.378 4.320 -0.000 0.000 0.217 359 A C 1.977 179.537 177.584 -0.041 0.000 1.169 359 A CA 0.737 52.725 52.037 -0.082 0.000 0.638 359 A CB -0.415 18.540 19.000 -0.076 0.000 0.812 359 A HN 0.343 nan 8.150 nan 0.000 0.446 360 L N -1.774 119.432 121.223 -0.027 0.000 2.558 360 L HA 0.413 4.753 4.340 -0.000 0.000 0.225 360 L C 0.822 177.756 176.870 0.107 0.000 1.128 360 L CA 0.445 55.309 54.840 0.039 0.000 0.868 360 L CB -0.314 41.779 42.059 0.057 0.000 1.006 360 L HN 0.503 nan 8.230 nan 0.000 0.454 361 A N 0.000 122.850 122.820 0.050 0.000 2.254 361 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 361 A CA 0.000 52.074 52.037 0.062 0.000 0.836 361 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 361 A HN 0.000 nan 8.150 nan 0.000 0.486