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 2e9y_1_A DATA FIRST_RESID 4 DATA SEQUENCE GRLAVIALGG NAIAGPGMDV SVESQTAAVK RASSIIADVL ADGWRSVITH DATA SEQUENCE GNGPQVGYLS EAFEALPPER PRQPLYIATA MTQAWIGLLL KHSLEEELRR DATA SEQUENCE RGLNVLVPVV ISRVLVDVSD PSFNNPSKPV GPIYGREEAE ELSRRYGWVF DATA SEQUENCE KRDPRGGFRR VVPSPRPVSI VDRDLIAEAS AESPAVVALG GGGVPVVERP DATA SEQUENCE GGVLEPVEAV VDKDLASSLL ATQLNADLLV ILTDVPGVAV NYGREGERWL DATA SEQUENCE RRAAASELKK YLREGHFPPG SMGPKVEAAI SFVERTGKPA VIGSLEEARQ DATA SEQUENCE VLSLQAGTVV MLG 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 4 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 4 G C 0.000 174.826 174.900 -0.123 0.000 0.946 4 G CA 0.000 45.020 45.100 -0.134 0.000 0.502 5 R N -0.382 119.964 120.500 -0.257 0.000 2.707 5 R HA 0.550 4.889 4.340 -0.000 0.000 0.270 5 R C -0.582 175.796 176.300 0.131 0.000 1.083 5 R CA -0.464 55.549 56.100 -0.145 0.000 1.182 5 R CB 1.141 31.222 30.300 -0.365 0.000 1.084 5 R HN 0.203 nan 8.270 nan 0.000 0.528 6 L N 0.636 122.010 121.223 0.251 0.000 2.317 6 L HA 0.577 4.917 4.340 -0.000 0.000 0.281 6 L C -1.156 175.917 176.870 0.339 0.000 1.024 6 L CA -0.085 54.927 54.840 0.287 0.000 0.810 6 L CB 1.677 43.829 42.059 0.155 0.000 1.240 6 L HN 0.740 nan 8.230 nan 0.000 0.427 7 A N 4.588 127.532 122.820 0.207 0.000 2.393 7 A HA 0.734 5.053 4.320 -0.000 0.000 0.306 7 A C -1.418 176.105 177.584 -0.102 0.000 1.050 7 A CA -0.580 51.425 52.037 -0.054 0.000 0.724 7 A CB 1.625 20.355 19.000 -0.450 0.000 1.248 7 A HN 0.472 nan 8.150 nan 0.000 0.424 8 V N 3.632 123.453 119.914 -0.156 0.000 2.383 8 V HA 0.322 4.442 4.120 -0.000 0.000 0.275 8 V C -0.277 175.701 176.094 -0.194 0.000 1.036 8 V CA 0.056 62.270 62.300 -0.144 0.000 0.889 8 V CB 0.823 32.557 31.823 -0.148 0.000 0.985 8 V HN 0.673 nan 8.190 nan 0.000 0.459 9 I N 4.768 125.246 120.570 -0.154 0.000 2.354 9 I HA 0.543 4.713 4.170 -0.000 0.000 0.286 9 I C 0.468 176.515 176.117 -0.116 0.000 1.007 9 I CA -0.423 60.782 61.300 -0.160 0.000 1.167 9 I CB 1.578 39.486 38.000 -0.154 0.000 1.320 9 I HN 0.624 nan 8.210 nan 0.000 0.458 10 A N 8.299 131.045 122.820 -0.123 0.000 2.316 10 A HA 0.623 4.943 4.320 -0.000 0.000 0.311 10 A C -0.157 177.384 177.584 -0.073 0.000 1.339 10 A CA -0.393 51.588 52.037 -0.093 0.000 0.960 10 A CB 0.103 19.040 19.000 -0.105 0.000 1.152 10 A HN 0.698 nan 8.150 nan 0.000 0.547 11 L N 2.475 123.674 121.223 -0.039 0.000 2.439 11 L HA 0.551 4.890 4.340 -0.000 0.000 0.261 11 L C 1.192 178.049 176.870 -0.022 0.000 1.153 11 L CA -0.274 54.549 54.840 -0.029 0.000 0.808 11 L CB 1.079 43.135 42.059 -0.006 0.000 1.126 11 L HN 0.754 nan 8.230 nan 0.000 0.460 12 G N -0.338 108.442 108.800 -0.034 0.000 2.887 12 G HA2 0.423 4.383 3.960 -0.000 0.000 0.277 12 G HA3 0.423 4.383 3.960 -0.000 0.000 0.277 12 G C 0.800 175.678 174.900 -0.037 0.000 1.346 12 G CA -0.029 45.051 45.100 -0.033 0.000 1.058 12 G HN 0.742 nan 8.290 nan 0.000 0.535 13 G N 0.451 109.228 108.800 -0.039 0.000 2.450 13 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.220 13 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.220 13 G C 1.492 176.359 174.900 -0.055 0.000 1.130 13 G CA 1.369 46.439 45.100 -0.051 0.000 0.760 13 G HN 0.683 nan 8.290 nan 0.000 0.557 14 N N 1.513 120.186 118.700 -0.044 0.000 2.519 14 N HA 0.061 4.801 4.740 -0.000 0.000 0.186 14 N C 1.920 177.399 175.510 -0.051 0.000 1.062 14 N CA 1.189 54.214 53.050 -0.043 0.000 0.910 14 N CB -0.290 38.176 38.487 -0.036 0.000 0.958 14 N HN 0.307 nan 8.380 nan 0.000 0.445 15 A N 0.187 122.972 122.820 -0.059 0.000 2.147 15 A HA 0.233 4.552 4.320 -0.000 0.000 0.211 15 A C 1.931 179.464 177.584 -0.086 0.000 1.160 15 A CA 0.177 52.175 52.037 -0.065 0.000 0.781 15 A CB 0.126 19.090 19.000 -0.060 0.000 0.842 15 A HN 0.213 nan 8.150 nan 0.000 0.475 16 I N -1.508 118.998 120.570 -0.106 0.000 3.718 16 I HA 0.293 4.462 4.170 -0.000 0.000 0.297 16 I C 1.106 177.143 176.117 -0.132 0.000 1.220 16 I CA 0.804 62.014 61.300 -0.150 0.000 1.381 16 I CB -0.945 36.919 38.000 -0.226 0.000 1.238 16 I HN 0.212 nan 8.210 nan 0.000 0.448 17 A N 0.339 123.094 122.820 -0.107 0.000 2.384 17 A HA 0.773 5.093 4.320 -0.000 0.000 0.312 17 A C 0.228 177.777 177.584 -0.057 0.000 1.113 17 A CA -0.129 51.855 52.037 -0.089 0.000 0.779 17 A CB 0.918 19.858 19.000 -0.101 0.000 1.307 17 A HN 0.219 nan 8.150 nan 0.000 0.436 18 G N -0.043 108.731 108.800 -0.044 0.000 2.599 18 G HA2 0.535 4.494 3.960 -0.000 0.000 0.264 18 G HA3 0.535 4.494 3.960 -0.000 0.000 0.264 18 G C -2.677 172.208 174.900 -0.026 0.000 1.200 18 G CA -1.336 43.745 45.100 -0.031 0.000 0.896 18 G HN 0.494 nan 8.290 nan 0.000 0.536 19 P HA 0.184 nan 4.420 nan 0.000 0.262 19 P C 0.812 178.105 177.300 -0.011 0.000 1.182 19 P CA 1.460 64.552 63.100 -0.014 0.000 0.761 19 P CB 0.823 32.517 31.700 -0.010 0.000 0.795 20 G N 3.186 111.981 108.800 -0.008 0.000 2.141 20 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.231 20 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.231 20 G C 0.558 175.454 174.900 -0.007 0.000 0.984 20 G CA 0.078 45.175 45.100 -0.004 0.000 0.660 20 G HN 0.542 nan 8.290 nan 0.000 0.525 21 M N -0.757 118.835 119.600 -0.015 0.000 2.879 21 M HA -0.156 4.324 4.480 -0.000 0.000 0.210 21 M C 0.095 176.381 176.300 -0.024 0.000 0.550 21 M CA 1.362 56.650 55.300 -0.021 0.000 0.732 21 M CB -1.508 31.088 32.600 -0.008 0.000 2.662 21 M HN 0.539 nan 8.290 nan 0.000 0.516 22 D N 1.626 122.010 120.400 -0.026 0.000 2.339 22 D HA 0.336 4.975 4.640 -0.000 0.000 0.256 22 D C 1.083 177.358 176.300 -0.041 0.000 1.214 22 D CA 0.114 54.097 54.000 -0.028 0.000 0.877 22 D CB 1.014 41.801 40.800 -0.021 0.000 1.111 22 D HN 0.268 nan 8.370 nan 0.000 0.478 23 V N 1.984 121.866 119.914 -0.053 0.000 3.577 23 V HA 0.144 4.264 4.120 -0.000 0.000 0.294 23 V C 0.604 176.692 176.094 -0.010 0.000 1.317 23 V CA 0.120 62.398 62.300 -0.036 0.000 1.169 23 V CB -1.309 30.486 31.823 -0.046 0.000 1.011 23 V HN 0.504 nan 8.190 nan 0.000 0.426 24 S N -0.449 115.225 115.700 -0.045 0.000 2.558 24 S HA 0.170 4.640 4.470 -0.000 0.000 0.288 24 S C 1.145 175.746 174.600 0.001 0.000 1.318 24 S CA 0.412 58.586 58.200 -0.043 0.000 1.056 24 S CB 1.474 64.654 63.200 -0.034 0.000 0.853 24 S HN 0.637 nan 8.310 nan 0.000 0.505 25 V N 2.412 122.323 119.914 -0.005 0.000 2.453 25 V HA -0.217 3.903 4.120 -0.000 0.000 0.252 25 V C 2.469 178.571 176.094 0.014 0.000 1.068 25 V CA 2.663 64.976 62.300 0.020 0.000 1.070 25 V CB -0.963 30.849 31.823 -0.017 0.000 0.664 25 V HN 1.095 nan 8.190 nan 0.000 0.461 26 E N -0.548 119.651 120.200 -0.002 0.000 2.017 26 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 26 E C 2.395 178.994 176.600 -0.003 0.000 0.997 26 E CA 1.632 58.030 56.400 -0.003 0.000 0.804 26 E CB -0.429 29.266 29.700 -0.008 0.000 0.757 26 E HN 0.639 nan 8.360 nan 0.000 0.448 27 S N 0.488 116.184 115.700 -0.007 0.000 2.359 27 S HA -0.289 4.181 4.470 -0.000 0.000 0.223 27 S C 2.175 176.766 174.600 -0.015 0.000 1.039 27 S CA 2.249 60.441 58.200 -0.013 0.000 1.042 27 S CB -0.443 62.747 63.200 -0.018 0.000 0.915 27 S HN 0.493 nan 8.310 nan 0.000 0.439 28 Q N 0.246 120.041 119.800 -0.008 0.000 2.061 28 Q HA -0.131 4.209 4.340 -0.000 0.000 0.204 28 Q C 2.242 178.235 176.000 -0.012 0.000 0.984 28 Q CA 2.030 57.822 55.803 -0.019 0.000 0.846 28 Q CB -1.509 27.231 28.738 0.004 0.000 0.902 28 Q HN 0.768 nan 8.270 nan 0.000 0.421 29 T N -0.751 113.808 114.554 0.008 0.000 2.759 29 T HA -0.074 4.276 4.350 -0.000 0.000 0.269 29 T C 2.071 176.772 174.700 0.002 0.000 1.042 29 T CA 1.251 63.357 62.100 0.011 0.000 1.140 29 T CB -0.420 68.458 68.868 0.017 0.000 0.864 29 T HN 0.434 nan 8.240 nan 0.000 0.455 30 A N 1.717 124.534 122.820 -0.005 0.000 1.897 30 A HA 0.470 4.790 4.320 -0.000 0.000 0.215 30 A C 2.813 180.387 177.584 -0.017 0.000 1.181 30 A CA 1.559 53.591 52.037 -0.009 0.000 0.620 30 A CB -1.289 17.705 19.000 -0.010 0.000 0.821 30 A HN 0.720 nan 8.150 nan 0.000 0.443 31 A N -0.604 122.201 122.820 -0.025 0.000 1.873 31 A HA 0.019 4.339 4.320 -0.000 0.000 0.215 31 A C 2.196 179.757 177.584 -0.038 0.000 1.186 31 A CA 1.678 53.694 52.037 -0.035 0.000 0.616 31 A CB -0.922 18.050 19.000 -0.047 0.000 0.823 31 A HN 0.357 nan 8.150 nan 0.000 0.442 32 V N 0.326 120.217 119.914 -0.039 0.000 2.490 32 V HA -0.256 3.864 4.120 -0.000 0.000 0.250 32 V C 2.535 178.616 176.094 -0.022 0.000 1.061 32 V CA 2.348 64.625 62.300 -0.039 0.000 1.064 32 V CB -0.587 31.215 31.823 -0.035 0.000 0.670 32 V HN 0.699 nan 8.190 nan 0.000 0.461 33 K N 0.033 120.426 120.400 -0.012 0.000 2.026 33 K HA -0.199 4.120 4.320 -0.000 0.000 0.208 33 K C 2.387 178.979 176.600 -0.014 0.000 1.048 33 K CA 1.517 57.800 56.287 -0.006 0.000 0.929 33 K CB -0.130 32.370 32.500 -0.001 0.000 0.713 33 K HN 0.359 nan 8.250 nan 0.000 0.439 34 R N -0.082 120.407 120.500 -0.019 0.000 2.073 34 R HA -0.117 4.223 4.340 -0.000 0.000 0.234 34 R C 2.430 178.714 176.300 -0.027 0.000 1.134 34 R CA 1.360 57.446 56.100 -0.023 0.000 0.952 34 R CB -0.403 29.881 30.300 -0.025 0.000 0.850 34 R HN 0.264 nan 8.270 nan 0.000 0.433 35 A N 0.561 123.362 122.820 -0.032 0.000 1.933 35 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 35 A C 2.236 179.801 177.584 -0.031 0.000 1.175 35 A CA 1.620 53.635 52.037 -0.037 0.000 0.628 35 A CB -0.361 18.612 19.000 -0.045 0.000 0.814 35 A HN 0.217 nan 8.150 nan 0.000 0.444 36 S N -0.544 115.141 115.700 -0.024 0.000 2.383 36 S HA -0.124 4.346 4.470 -0.000 0.000 0.227 36 S C 2.306 176.896 174.600 -0.016 0.000 1.026 36 S CA 1.322 59.512 58.200 -0.018 0.000 0.981 36 S CB -0.304 62.888 63.200 -0.012 0.000 0.818 36 S HN 0.679 nan 8.310 nan 0.000 0.472 37 S N 1.314 117.005 115.700 -0.016 0.000 2.356 37 S HA -0.034 4.435 4.470 -0.000 0.000 0.223 37 S C 1.782 176.373 174.600 -0.014 0.000 1.032 37 S CA 1.049 59.241 58.200 -0.013 0.000 1.005 37 S CB -0.418 62.774 63.200 -0.014 0.000 0.867 37 S HN 0.467 nan 8.310 nan 0.000 0.449 38 I N 1.055 121.613 120.570 -0.021 0.000 2.226 38 I HA -0.156 4.013 4.170 -0.000 0.000 0.245 38 I C 2.101 178.203 176.117 -0.024 0.000 1.100 38 I CA 1.169 62.454 61.300 -0.025 0.000 1.374 38 I CB -0.328 37.651 38.000 -0.035 0.000 1.057 38 I HN 0.332 nan 8.210 nan 0.000 0.413 39 I N 0.715 121.269 120.570 -0.025 0.000 2.315 39 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 39 I C 2.762 178.877 176.117 -0.004 0.000 1.117 39 I CA 1.147 62.433 61.300 -0.023 0.000 1.404 39 I CB -0.418 37.568 38.000 -0.023 0.000 1.071 39 I HN 0.179 nan 8.210 nan 0.000 0.419 40 A N 0.530 123.349 122.820 -0.002 0.000 1.933 40 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 40 A C 1.928 179.522 177.584 0.017 0.000 1.175 40 A CA 1.921 53.962 52.037 0.007 0.000 0.628 40 A CB -0.497 18.503 19.000 0.001 0.000 0.814 40 A HN 0.341 nan 8.150 nan 0.000 0.444 41 D N -0.152 120.255 120.400 0.012 0.000 2.097 41 D HA -0.108 4.532 4.640 -0.000 0.000 0.195 41 D C 2.096 178.423 176.300 0.045 0.000 0.989 41 D CA 1.492 55.505 54.000 0.021 0.000 0.827 41 D CB -0.544 40.261 40.800 0.009 0.000 0.966 41 D HN 0.215 nan 8.370 nan 0.000 0.456 42 V N 1.014 120.952 119.914 0.039 0.000 2.332 42 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 42 V C 2.463 178.650 176.094 0.155 0.000 1.055 42 V CA 1.163 63.510 62.300 0.078 0.000 1.038 42 V CB -0.369 31.447 31.823 -0.013 0.000 0.651 42 V HN 0.118 nan 8.190 nan 0.000 0.450 43 L N 0.300 121.584 121.223 0.101 0.000 2.141 43 L HA -0.049 4.290 4.340 -0.000 0.000 0.209 43 L C 2.560 179.481 176.870 0.086 0.000 1.094 43 L CA 2.023 56.926 54.840 0.106 0.000 0.763 43 L CB -1.236 40.860 42.059 0.062 0.000 0.908 43 L HN 0.287 nan 8.230 nan 0.000 0.437 44 A N -0.860 122.000 122.820 0.066 0.000 1.972 44 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 44 A C 1.788 179.403 177.584 0.052 0.000 1.169 44 A CA 1.630 53.695 52.037 0.046 0.000 0.635 44 A CB -0.507 18.513 19.000 0.034 0.000 0.810 44 A HN 0.382 nan 8.150 nan 0.000 0.446 45 D N -1.081 119.374 120.400 0.092 0.000 2.378 45 D HA 0.214 4.854 4.640 -0.000 0.000 0.227 45 D C 1.363 177.679 176.300 0.026 0.000 1.012 45 D CA 1.144 55.199 54.000 0.090 0.000 0.905 45 D CB 0.001 40.908 40.800 0.178 0.000 0.895 45 D HN 0.637 nan 8.370 nan 0.000 0.532 46 G N 0.130 108.945 108.800 0.024 0.000 2.176 46 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.232 46 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.232 46 G C -0.089 174.764 174.900 -0.080 0.000 0.986 46 G CA -0.411 44.652 45.100 -0.063 0.000 0.643 46 G HN 0.195 nan 8.290 nan 0.000 0.522 47 W N 1.293 122.589 121.300 -0.006 0.000 2.202 47 W HA 0.711 5.371 4.660 -0.001 0.000 0.332 47 W C 1.133 177.649 176.519 -0.006 0.000 1.263 47 W CA -0.452 56.889 57.345 -0.006 0.000 1.223 47 W CB 0.543 29.997 29.460 -0.011 0.000 1.128 47 W HN 0.009 nan 8.180 nan 0.000 0.573 48 R N 1.782 122.460 120.500 0.297 0.000 2.532 48 R HA 0.595 4.935 4.340 -0.000 0.000 0.295 48 R C -0.352 176.060 176.300 0.188 0.000 0.968 48 R CA -0.630 55.574 56.100 0.173 0.000 0.916 48 R CB 1.729 32.097 30.300 0.113 0.000 1.124 48 R HN 0.550 nan 8.270 nan 0.000 0.463 49 S N -0.154 115.608 115.700 0.104 0.000 2.588 49 S HA 0.560 5.030 4.470 -0.000 0.000 0.275 49 S C -0.985 173.631 174.600 0.028 0.000 1.130 49 S CA -0.838 57.395 58.200 0.054 0.000 0.855 49 S CB 2.043 65.252 63.200 0.015 0.000 1.116 49 S HN 0.208 nan 8.310 nan 0.000 0.472 50 V N 2.104 122.019 119.914 0.002 0.000 2.409 50 V HA 0.451 4.571 4.120 -0.000 0.000 0.290 50 V C -0.810 175.270 176.094 -0.024 0.000 1.017 50 V CA -0.515 61.784 62.300 -0.003 0.000 0.841 50 V CB 1.024 32.844 31.823 -0.004 0.000 1.003 50 V HN 0.865 nan 8.190 nan 0.000 0.426 51 I N 5.192 125.757 120.570 -0.009 0.000 2.315 51 I HA 0.481 4.651 4.170 -0.000 0.000 0.291 51 I C 0.770 176.893 176.117 0.010 0.000 1.006 51 I CA 0.001 61.297 61.300 -0.008 0.000 1.265 51 I CB 1.772 39.778 38.000 0.010 0.000 1.387 51 I HN 0.717 nan 8.210 nan 0.000 0.475 52 T N 2.044 116.585 114.554 -0.021 0.000 2.938 52 T HA 0.798 5.147 4.350 -0.000 0.000 0.285 52 T C -0.626 174.071 174.700 -0.004 0.000 1.028 52 T CA -0.621 61.439 62.100 -0.067 0.000 1.005 52 T CB 1.894 70.694 68.868 -0.114 0.000 1.157 52 T HN 0.798 nan 8.240 nan 0.000 0.550 53 H N -2.431 116.602 119.070 -0.062 0.000 2.967 53 H HA 0.696 5.252 4.556 -0.000 0.000 0.318 53 H C -0.091 175.192 175.328 -0.074 0.000 1.375 53 H CA -0.972 55.032 56.048 -0.073 0.000 1.132 53 H CB 0.736 30.449 29.762 -0.081 0.000 1.848 53 H HN 0.960 nan 8.280 nan 0.000 0.524 54 G N -0.687 108.165 108.800 0.086 0.000 2.537 54 G HA2 0.384 4.344 3.960 -0.000 0.000 0.297 54 G HA3 0.384 4.344 3.960 -0.000 0.000 0.297 54 G C -0.198 174.758 174.900 0.093 0.000 1.310 54 G CA -0.371 44.741 45.100 0.021 0.000 1.027 54 G HN 1.103 nan 8.290 nan 0.000 0.505 55 N N -1.781 116.921 118.700 0.003 0.000 2.261 55 N HA 0.068 4.808 4.740 -0.000 0.000 0.241 55 N C 1.358 176.834 175.510 -0.058 0.000 1.374 55 N CA 0.648 53.677 53.050 -0.035 0.000 0.802 55 N CB -0.193 38.292 38.487 -0.003 0.000 1.339 55 N HN 0.615 nan 8.380 nan 0.000 0.498 56 G N 2.390 111.163 108.800 -0.045 0.000 2.628 56 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 56 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 56 G C -0.746 174.139 174.900 -0.026 0.000 1.240 56 G CA 1.351 46.433 45.100 -0.031 0.000 0.792 56 G HN 0.366 nan 8.290 nan 0.000 0.593 57 P HA -0.043 nan 4.420 nan 0.000 0.217 57 P C 1.826 179.126 177.300 0.001 0.000 1.150 57 P CA 1.324 64.411 63.100 -0.021 0.000 0.832 57 P CB -0.004 31.664 31.700 -0.053 0.000 0.787 58 Q N -0.778 118.948 119.800 -0.123 0.000 2.046 58 Q HA -0.087 4.253 4.340 -0.000 0.000 0.200 58 Q C 2.230 178.314 176.000 0.140 0.000 0.975 58 Q CA 1.103 56.801 55.803 -0.176 0.000 0.836 58 Q CB -1.560 26.733 28.738 -0.743 0.000 0.896 58 Q HN 0.071 nan 8.270 nan 0.000 0.428 59 V N 0.237 120.187 119.914 0.060 0.000 2.626 59 V HA -0.104 4.015 4.120 -0.000 0.000 0.252 59 V C 1.804 177.944 176.094 0.076 0.000 1.067 59 V CA 1.995 64.351 62.300 0.094 0.000 1.081 59 V CB -0.668 31.186 31.823 0.052 0.000 0.686 59 V HN 0.512 nan 8.190 nan 0.000 0.468 60 G N -1.448 107.395 108.800 0.072 0.000 2.402 60 G HA2 -0.327 3.632 3.960 -0.000 0.000 0.216 60 G HA3 -0.327 3.632 3.960 -0.000 0.000 0.216 60 G C 1.481 176.422 174.900 0.069 0.000 1.162 60 G CA 1.068 46.204 45.100 0.059 0.000 0.777 60 G HN 0.620 nan 8.290 nan 0.000 0.539 61 Y N 1.298 121.609 120.300 0.017 0.000 2.128 61 Y HA -0.077 4.473 4.550 -0.001 0.000 0.284 61 Y C 2.532 178.374 175.900 -0.097 0.000 1.154 61 Y CA 1.464 59.573 58.100 0.014 0.000 1.149 61 Y CB -0.343 38.203 38.460 0.143 0.000 0.976 61 Y HN 0.106 nan 8.280 nan 0.000 0.505 62 L N -0.763 120.368 121.223 -0.153 0.000 2.046 62 L HA -0.253 4.086 4.340 -0.000 0.000 0.208 62 L C 2.535 178.918 176.870 -0.812 0.000 1.077 62 L CA 1.594 56.076 54.840 -0.597 0.000 0.747 62 L CB -0.817 41.103 42.059 -0.231 0.000 0.896 62 L HN 0.173 nan 8.230 nan 0.000 0.432 63 S N -0.349 115.165 115.700 -0.310 0.000 2.370 63 S HA -0.206 4.264 4.470 -0.000 0.000 0.226 63 S C 1.820 176.332 174.600 -0.147 0.000 1.033 63 S CA 1.403 59.529 58.200 -0.123 0.000 1.011 63 S CB -0.231 62.973 63.200 0.006 0.000 0.852 63 S HN 0.467 nan 8.310 nan 0.000 0.457 64 E N 1.260 121.337 120.200 -0.205 0.000 2.072 64 E HA -0.088 4.262 4.350 -0.000 0.000 0.191 64 E C 2.430 178.877 176.600 -0.255 0.000 0.985 64 E CA 0.945 57.234 56.400 -0.186 0.000 0.801 64 E CB -0.283 29.321 29.700 -0.161 0.000 0.750 64 E HN 0.509 nan 8.360 nan 0.000 0.452 65 A N 1.225 123.749 122.820 -0.494 0.000 1.883 65 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 65 A C 1.893 179.360 177.584 -0.195 0.000 1.186 65 A CA 1.408 53.159 52.037 -0.476 0.000 0.624 65 A CB -0.762 17.764 19.000 -0.789 0.000 0.822 65 A HN 0.162 nan 8.150 nan 0.000 0.444 66 F N 0.371 120.269 119.950 -0.086 0.000 2.186 66 F HA -0.046 4.480 4.527 -0.000 0.000 0.299 66 F C 2.348 178.154 175.800 0.011 0.000 1.090 66 F CA 0.974 58.958 58.000 -0.028 0.000 1.307 66 F CB -0.766 38.232 39.000 -0.004 0.000 1.019 66 F HN 0.214 nan 8.300 nan 0.000 0.489 67 E N 0.077 120.380 120.200 0.172 0.000 2.347 67 E HA -0.012 4.337 4.350 -0.000 0.000 0.196 67 E C 2.238 178.878 176.600 0.067 0.000 1.008 67 E CA 0.796 57.283 56.400 0.145 0.000 0.852 67 E CB -0.342 29.432 29.700 0.123 0.000 0.783 67 E HN 0.325 nan 8.360 nan 0.000 0.505 68 A N 0.607 123.441 122.820 0.022 0.000 2.167 68 A HA 0.062 4.382 4.320 -0.000 0.000 0.214 68 A C 1.300 178.899 177.584 0.026 0.000 1.151 68 A CA 0.031 52.069 52.037 0.002 0.000 0.735 68 A CB -0.182 18.797 19.000 -0.036 0.000 0.802 68 A HN 0.090 nan 8.150 nan 0.000 0.467 69 L N 0.207 121.464 121.223 0.057 0.000 2.473 69 L HA 0.200 4.540 4.340 -0.000 0.000 0.268 69 L C -2.129 174.770 176.870 0.048 0.000 1.215 69 L CA -1.890 52.983 54.840 0.056 0.000 0.823 69 L CB -0.031 42.074 42.059 0.077 0.000 1.099 69 L HN 0.026 nan 8.230 nan 0.000 0.483 70 P HA 0.034 nan 4.420 nan 0.000 0.267 70 P C -2.058 175.264 177.300 0.037 0.000 1.200 70 P CA -0.841 62.276 63.100 0.030 0.000 0.772 70 P CB 0.128 31.841 31.700 0.021 0.000 0.855 71 P HA -0.248 nan 4.420 nan 0.000 0.217 71 P C 1.267 178.587 177.300 0.034 0.000 1.148 71 P CA 1.447 64.570 63.100 0.038 0.000 0.834 71 P CB -0.205 31.510 31.700 0.026 0.000 0.783 72 E N -0.876 119.339 120.200 0.024 0.000 2.347 72 E HA -0.088 4.262 4.350 -0.000 0.000 0.196 72 E C 0.519 177.131 176.600 0.021 0.000 1.008 72 E CA 0.702 57.113 56.400 0.019 0.000 0.852 72 E CB -0.303 29.404 29.700 0.012 0.000 0.783 72 E HN 0.172 nan 8.360 nan 0.000 0.505 73 R N 2.551 123.065 120.500 0.024 0.000 2.539 73 R HA 0.311 4.651 4.340 -0.000 0.000 0.275 73 R C -1.957 174.354 176.300 0.017 0.000 1.077 73 R CA -2.061 54.049 56.100 0.016 0.000 1.097 73 R CB -0.161 30.151 30.300 0.020 0.000 1.018 73 R HN 0.187 nan 8.270 nan 0.000 0.483 74 P HA 0.296 nan 4.420 nan 0.000 0.278 74 P C -0.800 176.469 177.300 -0.052 0.000 1.238 74 P CA -0.557 62.530 63.100 -0.022 0.000 0.794 74 P CB 0.868 32.541 31.700 -0.044 0.000 0.955 75 R N 1.489 121.972 120.500 -0.029 0.000 2.407 75 R HA 0.324 4.663 4.340 -0.000 0.000 0.303 75 R C 0.468 176.681 176.300 -0.145 0.000 0.981 75 R CA -0.557 55.528 56.100 -0.026 0.000 0.905 75 R CB 0.553 30.945 30.300 0.153 0.000 1.099 75 R HN 0.395 nan 8.270 nan 0.000 0.459 76 Q N 3.704 123.279 119.800 -0.374 0.000 2.373 76 Q HA 0.221 4.560 4.340 -0.000 0.000 0.255 76 Q C -1.917 173.967 176.000 -0.193 0.000 0.980 76 Q CA -1.626 53.961 55.803 -0.360 0.000 0.882 76 Q CB 0.330 28.719 28.738 -0.581 0.000 1.249 76 Q HN 0.450 nan 8.270 nan 0.000 0.438 77 P HA -0.002 nan 4.420 nan 0.000 0.274 77 P C 0.722 177.810 177.300 -0.354 0.000 1.237 77 P CA -0.421 62.459 63.100 -0.366 0.000 0.793 77 P CB 0.827 32.126 31.700 -0.667 0.000 0.977 78 L N 2.528 123.624 121.223 -0.211 0.000 2.081 78 L HA -0.228 4.111 4.340 -0.000 0.000 0.212 78 L C 2.516 179.363 176.870 -0.038 0.000 1.080 78 L CA 1.938 56.727 54.840 -0.085 0.000 0.754 78 L CB -1.814 40.204 42.059 -0.068 0.000 0.893 78 L HN 0.473 nan 8.230 nan 0.000 0.433 79 Y N -2.972 117.342 120.300 0.023 0.000 2.352 79 Y HA -0.059 4.491 4.550 0.000 0.000 0.292 79 Y C 2.167 178.097 175.900 0.049 0.000 1.136 79 Y CA 0.611 58.729 58.100 0.030 0.000 1.227 79 Y CB -0.924 37.548 38.460 0.021 0.000 0.991 79 Y HN 0.064 nan 8.280 nan 0.000 0.545 80 I N 1.221 121.672 120.570 -0.199 0.000 2.353 80 I HA -0.127 4.043 4.170 -0.000 0.000 0.248 80 I C 2.654 178.812 176.117 0.068 0.000 1.119 80 I CA 1.067 62.342 61.300 -0.041 0.000 1.417 80 I CB -1.560 36.329 38.000 -0.185 0.000 1.078 80 I HN 0.415 nan 8.210 nan 0.000 0.421 81 A N 0.447 123.318 122.820 0.086 0.000 1.902 81 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 81 A C 2.423 180.109 177.584 0.170 0.000 1.181 81 A CA 2.412 54.572 52.037 0.205 0.000 0.623 81 A CB -1.071 18.053 19.000 0.208 0.000 0.818 81 A HN 0.382 nan 8.150 nan 0.000 0.443 82 T N 0.267 114.896 114.554 0.126 0.000 2.746 82 T HA -0.043 4.306 4.350 -0.000 0.000 0.267 82 T C 2.228 177.006 174.700 0.130 0.000 1.039 82 T CA 1.656 63.824 62.100 0.114 0.000 1.142 82 T CB -0.477 68.448 68.868 0.095 0.000 0.866 82 T HN 0.612 nan 8.240 nan 0.000 0.444 83 A N 1.387 124.291 122.820 0.139 0.000 1.908 83 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 83 A C 2.351 180.028 177.584 0.154 0.000 1.181 83 A CA 1.648 53.765 52.037 0.134 0.000 0.627 83 A CB -0.728 18.353 19.000 0.135 0.000 0.818 83 A HN 0.459 nan 8.150 nan 0.000 0.445 84 M N -0.129 119.579 119.600 0.180 0.000 2.108 84 M HA -0.171 4.309 4.480 -0.000 0.000 0.261 84 M C 2.429 178.907 176.300 0.296 0.000 1.066 84 M CA 2.178 57.613 55.300 0.224 0.000 1.107 84 M CB -0.786 31.970 32.600 0.259 0.000 1.356 84 M HN 0.734 nan 8.290 nan 0.000 0.406 85 T N -1.912 112.813 114.554 0.284 0.000 2.915 85 T HA -0.152 4.197 4.350 -0.000 0.000 0.269 85 T C 1.587 176.413 174.700 0.209 0.000 1.071 85 T CA 1.121 63.378 62.100 0.261 0.000 1.132 85 T CB -0.361 68.581 68.868 0.122 0.000 0.878 85 T HN 0.493 nan 8.240 nan 0.000 0.479 86 Q N 0.802 120.719 119.800 0.194 0.000 2.119 86 Q HA 0.114 4.454 4.340 -0.000 0.000 0.201 86 Q C 2.760 178.874 176.000 0.190 0.000 0.972 86 Q CA 1.406 57.325 55.803 0.194 0.000 0.847 86 Q CB -0.347 28.465 28.738 0.125 0.000 0.903 86 Q HN 0.753 nan 8.270 nan 0.000 0.433 87 A N 0.356 123.290 122.820 0.190 0.000 1.930 87 A HA -0.146 4.174 4.320 -0.000 0.000 0.215 87 A C 1.674 179.395 177.584 0.229 0.000 1.176 87 A CA 0.759 52.901 52.037 0.175 0.000 0.632 87 A CB -0.740 18.349 19.000 0.150 0.000 0.819 87 A HN 0.583 nan 8.150 nan 0.000 0.445 88 W N 1.175 122.500 121.300 0.043 0.000 2.352 88 W HA -0.156 4.504 4.660 -0.001 0.000 0.322 88 W C 1.778 178.282 176.519 -0.026 0.000 1.208 88 W CA 1.812 59.165 57.345 0.014 0.000 1.286 88 W CB -1.025 28.451 29.460 0.027 0.000 1.167 88 W HN 0.287 nan 8.180 nan 0.000 0.469 89 I N 0.885 121.424 120.570 -0.051 0.000 2.252 89 I HA -0.145 4.025 4.170 -0.000 0.000 0.245 89 I C 2.665 178.662 176.117 -0.199 0.000 1.102 89 I CA 1.527 62.631 61.300 -0.327 0.000 1.385 89 I CB -1.350 36.262 38.000 -0.648 0.000 1.064 89 I HN 0.136 nan 8.210 nan 0.000 0.414 90 G N 1.385 110.165 108.800 -0.034 0.000 2.446 90 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.217 90 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.217 90 G C 1.662 176.593 174.900 0.051 0.000 1.168 90 G CA 0.804 45.932 45.100 0.047 0.000 0.771 90 G HN 0.271 nan 8.290 nan 0.000 0.551 91 L N 0.505 121.779 121.223 0.084 0.000 2.046 91 L HA 0.091 4.431 4.340 -0.000 0.000 0.208 91 L C 2.705 179.629 176.870 0.090 0.000 1.077 91 L CA 1.325 56.221 54.840 0.093 0.000 0.747 91 L CB -0.479 41.636 42.059 0.095 0.000 0.896 91 L HN 0.226 nan 8.230 nan 0.000 0.432 92 L N -1.268 119.997 121.223 0.071 0.000 2.012 92 L HA -0.265 4.074 4.340 -0.000 0.000 0.210 92 L C 2.540 179.434 176.870 0.039 0.000 1.073 92 L CA 1.561 56.434 54.840 0.055 0.000 0.748 92 L CB -0.596 41.478 42.059 0.025 0.000 0.891 92 L HN 0.316 nan 8.230 nan 0.000 0.431 93 L N -0.278 120.939 121.223 -0.009 0.000 2.027 93 L HA -0.226 4.113 4.340 -0.000 0.000 0.206 93 L C 2.740 179.626 176.870 0.026 0.000 1.074 93 L CA 1.317 56.149 54.840 -0.013 0.000 0.745 93 L CB -0.542 41.487 42.059 -0.050 0.000 0.898 93 L HN 0.275 nan 8.230 nan 0.000 0.433 94 K N -0.282 120.147 120.400 0.049 0.000 2.009 94 K HA -0.297 4.023 4.320 -0.000 0.000 0.210 94 K C 2.200 178.843 176.600 0.071 0.000 1.049 94 K CA 2.046 58.369 56.287 0.059 0.000 0.929 94 K CB -0.238 32.307 32.500 0.076 0.000 0.714 94 K HN 0.255 nan 8.250 nan 0.000 0.440 95 H N -0.031 119.047 119.070 0.012 0.000 2.353 95 H HA -0.052 4.504 4.556 -0.001 0.000 0.300 95 H C 2.294 177.626 175.328 0.006 0.000 1.090 95 H CA 2.131 58.186 56.048 0.012 0.000 1.327 95 H CB -0.187 29.585 29.762 0.016 0.000 1.383 95 H HN 0.259 nan 8.280 nan 0.000 0.508 96 S N -0.815 114.941 115.700 0.093 0.000 2.368 96 S HA -0.110 4.360 4.470 -0.000 0.000 0.224 96 S C 2.113 176.705 174.600 -0.013 0.000 1.029 96 S CA 1.084 59.304 58.200 0.034 0.000 0.988 96 S CB -0.439 62.784 63.200 0.039 0.000 0.838 96 S HN 0.369 nan 8.310 nan 0.000 0.462 97 L N 1.975 123.193 121.223 -0.009 0.000 2.056 97 L HA 0.044 4.384 4.340 -0.000 0.000 0.207 97 L C 2.187 179.038 176.870 -0.032 0.000 1.078 97 L CA 1.997 56.828 54.840 -0.016 0.000 0.749 97 L CB -1.032 41.024 42.059 -0.005 0.000 0.901 97 L HN 0.343 nan 8.230 nan 0.000 0.433 98 E N -0.653 119.516 120.200 -0.052 0.000 2.085 98 E HA -0.292 4.057 4.350 -0.000 0.000 0.194 98 E C 2.059 178.604 176.600 -0.091 0.000 0.994 98 E CA 1.426 57.783 56.400 -0.072 0.000 0.801 98 E CB -0.096 29.543 29.700 -0.100 0.000 0.743 98 E HN 0.631 nan 8.360 nan 0.000 0.453 99 E N 0.678 120.803 120.200 -0.124 0.000 2.077 99 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 99 E C 2.000 178.567 176.600 -0.054 0.000 0.989 99 E CA 1.192 57.529 56.400 -0.105 0.000 0.800 99 E CB 0.117 29.751 29.700 -0.110 0.000 0.746 99 E HN 0.029 nan 8.360 nan 0.000 0.452 100 E N 0.730 120.906 120.200 -0.039 0.000 2.047 100 E HA -0.149 4.200 4.350 -0.000 0.000 0.191 100 E C 2.108 178.696 176.600 -0.020 0.000 0.987 100 E CA 1.198 57.584 56.400 -0.023 0.000 0.799 100 E CB -0.347 29.343 29.700 -0.016 0.000 0.752 100 E HN 0.340 nan 8.360 nan 0.000 0.449 101 L N 0.149 121.360 121.223 -0.021 0.000 2.083 101 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 101 L C 2.864 179.724 176.870 -0.016 0.000 1.083 101 L CA 1.516 56.348 54.840 -0.014 0.000 0.752 101 L CB -0.470 41.582 42.059 -0.012 0.000 0.899 101 L HN 0.149 nan 8.230 nan 0.000 0.433 102 R N 0.653 121.137 120.500 -0.026 0.000 2.075 102 R HA -0.190 4.150 4.340 -0.000 0.000 0.232 102 R C 2.464 178.753 176.300 -0.019 0.000 1.126 102 R CA 1.443 57.528 56.100 -0.025 0.000 0.963 102 R CB -0.174 30.104 30.300 -0.037 0.000 0.858 102 R HN 0.208 nan 8.270 nan 0.000 0.435 103 R N 0.464 120.953 120.500 -0.019 0.000 2.200 103 R HA -0.079 4.260 4.340 -0.000 0.000 0.234 103 R C 1.204 177.498 176.300 -0.010 0.000 1.127 103 R CA 1.333 57.424 56.100 -0.014 0.000 0.989 103 R CB 0.072 30.364 30.300 -0.013 0.000 0.869 103 R HN 0.217 nan 8.270 nan 0.000 0.459 104 R N -1.120 119.375 120.500 -0.009 0.000 2.388 104 R HA 0.154 4.493 4.340 -0.000 0.000 0.247 104 R C 0.714 177.011 176.300 -0.005 0.000 0.931 104 R CA 0.502 56.599 56.100 -0.006 0.000 1.082 104 R CB 0.931 31.229 30.300 -0.004 0.000 1.135 104 R HN 0.437 nan 8.270 nan 0.000 0.525 105 G N 0.977 109.773 108.800 -0.007 0.000 2.176 105 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.253 105 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.253 105 G C -0.227 174.669 174.900 -0.006 0.000 0.979 105 G CA -0.287 44.809 45.100 -0.006 0.000 0.641 105 G HN 0.093 nan 8.290 nan 0.000 0.530 106 L N 1.637 122.857 121.223 -0.006 0.000 2.257 106 L HA 0.492 4.832 4.340 -0.000 0.000 0.290 106 L C -0.229 176.635 176.870 -0.009 0.000 1.044 106 L CA -0.797 54.040 54.840 -0.005 0.000 0.810 106 L CB 1.419 43.477 42.059 -0.002 0.000 1.193 106 L HN 0.073 nan 8.230 nan 0.000 0.425 107 N N 3.974 122.670 118.700 -0.007 0.000 2.609 107 N HA 0.457 5.197 4.740 -0.000 0.000 0.234 107 N C -0.836 174.670 175.510 -0.006 0.000 1.001 107 N CA -0.119 52.925 53.050 -0.010 0.000 0.926 107 N CB 1.941 40.423 38.487 -0.008 0.000 1.130 107 N HN 0.396 nan 8.380 nan 0.000 0.510 108 V N -0.430 119.479 119.914 -0.008 0.000 2.925 108 V HA 0.631 4.751 4.120 -0.000 0.000 0.311 108 V C -0.417 175.674 176.094 -0.005 0.000 1.104 108 V CA -1.043 61.255 62.300 -0.002 0.000 0.954 108 V CB 2.180 34.005 31.823 0.003 0.000 1.022 108 V HN 0.235 nan 8.190 nan 0.000 0.427 109 L N 2.996 124.220 121.223 0.002 0.000 2.309 109 L HA 0.660 5.000 4.340 -0.000 0.000 0.282 109 L C -0.545 176.332 176.870 0.012 0.000 1.036 109 L CA -0.894 53.949 54.840 0.005 0.000 0.806 109 L CB 1.985 44.051 42.059 0.011 0.000 1.220 109 L HN 0.565 nan 8.230 nan 0.000 0.429 110 V N 4.613 124.536 119.914 0.015 0.000 2.328 110 V HA 0.310 4.430 4.120 -0.000 0.000 0.278 110 V C -1.922 174.191 176.094 0.033 0.000 1.021 110 V CA -1.474 60.839 62.300 0.023 0.000 0.838 110 V CB 1.219 33.055 31.823 0.021 0.000 0.999 110 V HN 0.603 nan 8.190 nan 0.000 0.447 111 P HA 0.307 nan 4.420 nan 0.000 0.277 111 P C -0.911 176.416 177.300 0.045 0.000 1.240 111 P CA -0.252 62.871 63.100 0.038 0.000 0.798 111 P CB 1.958 33.678 31.700 0.033 0.000 0.979 112 V N 2.991 122.937 119.914 0.052 0.000 2.378 112 V HA 0.160 4.280 4.120 -0.000 0.000 0.288 112 V C 0.248 176.376 176.094 0.056 0.000 1.016 112 V CA -0.714 61.624 62.300 0.063 0.000 0.840 112 V CB 1.814 33.684 31.823 0.078 0.000 0.994 112 V HN 0.257 nan 8.190 nan 0.000 0.431 113 V N 6.143 126.086 119.914 0.048 0.000 2.364 113 V HA 0.363 4.483 4.120 -0.000 0.000 0.272 113 V C 0.286 176.403 176.094 0.039 0.000 1.036 113 V CA -0.605 61.718 62.300 0.038 0.000 0.880 113 V CB 1.342 33.181 31.823 0.027 0.000 0.991 113 V HN 0.566 nan 8.190 nan 0.000 0.460 114 I N 4.369 124.965 120.570 0.043 0.000 2.517 114 I HA 0.172 4.342 4.170 -0.000 0.000 0.285 114 I C 0.633 176.768 176.117 0.030 0.000 1.106 114 I CA 0.832 62.159 61.300 0.045 0.000 1.402 114 I CB 0.527 38.558 38.000 0.052 0.000 1.399 114 I HN 0.603 nan 8.210 nan 0.000 0.535 115 S N 7.458 123.171 115.700 0.023 0.000 2.561 115 S HA 0.598 5.068 4.470 -0.000 0.000 0.303 115 S C -0.099 174.506 174.600 0.008 0.000 1.110 115 S CA -0.871 57.334 58.200 0.008 0.000 1.034 115 S CB 2.047 65.241 63.200 -0.009 0.000 1.010 115 S HN 0.453 nan 8.310 nan 0.000 0.482 116 R N 1.210 121.713 120.500 0.006 0.000 2.604 116 R HA 0.771 5.111 4.340 -0.000 0.000 0.287 116 R C -1.179 175.121 176.300 -0.001 0.000 0.970 116 R CA -0.753 55.349 56.100 0.004 0.000 0.946 116 R CB 1.484 31.784 30.300 -0.001 0.000 1.127 116 R HN 0.376 nan 8.270 nan 0.000 0.473 117 V N 3.389 123.303 119.914 0.000 0.000 2.588 117 V HA 0.258 4.378 4.120 -0.000 0.000 0.304 117 V C -0.751 175.348 176.094 0.009 0.000 1.042 117 V CA -0.928 61.373 62.300 0.002 0.000 0.877 117 V CB 1.824 33.645 31.823 -0.003 0.000 0.996 117 V HN 0.501 nan 8.190 nan 0.000 0.425 118 L N 7.245 128.474 121.223 0.010 0.000 2.367 118 L HA 0.648 4.988 4.340 -0.000 0.000 0.275 118 L C -0.067 176.823 176.870 0.033 0.000 1.129 118 L CA 0.539 55.389 54.840 0.017 0.000 0.839 118 L CB 1.249 43.314 42.059 0.010 0.000 1.133 118 L HN 0.620 nan 8.230 nan 0.000 0.453 119 V N 1.285 121.234 119.914 0.058 0.000 3.074 119 V HA 0.633 4.752 4.120 -0.000 0.000 0.314 119 V C -0.731 175.429 176.094 0.110 0.000 1.117 119 V CA -0.953 61.406 62.300 0.099 0.000 1.014 119 V CB 1.874 33.790 31.823 0.154 0.000 1.057 119 V HN 0.752 nan 8.190 nan 0.000 0.438 120 D N 0.731 121.214 120.400 0.140 0.000 2.198 120 D HA 0.268 4.907 4.640 -0.000 0.000 0.245 120 D C 0.686 177.054 176.300 0.113 0.000 1.079 120 D CA -0.124 53.933 54.000 0.094 0.000 0.854 120 D CB 2.250 43.093 40.800 0.073 0.000 1.148 120 D HN 0.515 nan 8.370 nan 0.000 0.456 121 V N 3.631 123.495 119.914 -0.083 0.000 2.867 121 V HA -0.169 3.950 4.120 -0.000 0.000 0.260 121 V C 1.593 177.580 176.094 -0.179 0.000 1.099 121 V CA 1.829 63.918 62.300 -0.350 0.000 1.122 121 V CB -0.065 31.571 31.823 -0.311 0.000 0.708 121 V HN 0.511 nan 8.190 nan 0.000 0.490 122 S N -0.817 114.878 115.700 -0.009 0.000 2.558 122 S HA 0.034 4.504 4.470 -0.000 0.000 0.217 122 S C 0.760 175.436 174.600 0.128 0.000 0.975 122 S CA -0.115 58.109 58.200 0.040 0.000 0.912 122 S CB -0.315 62.899 63.200 0.024 0.000 0.776 122 S HN 0.731 nan 8.310 nan 0.000 0.526 123 D N 2.435 122.973 120.400 0.231 0.000 2.531 123 D HA -0.003 4.637 4.640 -0.000 0.000 0.239 123 D C -1.790 174.633 176.300 0.206 0.000 1.144 123 D CA -1.150 52.983 54.000 0.220 0.000 0.869 123 D CB 1.057 42.002 40.800 0.242 0.000 1.160 123 D HN 0.017 nan 8.370 nan 0.000 0.484 124 P HA -0.142 nan 4.420 nan 0.000 0.218 124 P C 1.372 178.698 177.300 0.044 0.000 1.146 124 P CA 0.787 63.929 63.100 0.069 0.000 0.820 124 P CB 0.222 31.944 31.700 0.037 0.000 0.778 125 S N -2.182 113.506 115.700 -0.020 0.000 2.419 125 S HA -0.127 4.343 4.470 -0.000 0.000 0.233 125 S C 1.509 176.019 174.600 -0.149 0.000 1.016 125 S CA 0.850 58.975 58.200 -0.125 0.000 0.974 125 S CB -0.929 62.125 63.200 -0.242 0.000 0.786 125 S HN -0.005 nan 8.310 nan 0.000 0.492 126 F N 1.582 121.526 119.950 -0.011 0.000 2.293 126 F HA 0.067 4.595 4.527 0.000 0.000 0.300 126 F C 2.203 177.998 175.800 -0.008 0.000 1.086 126 F CA 1.071 59.063 58.000 -0.013 0.000 1.375 126 F CB -0.335 38.660 39.000 -0.009 0.000 1.045 126 F HN 0.275 nan 8.300 nan 0.000 0.516 127 N N -0.746 118.050 118.700 0.161 0.000 2.356 127 N HA -0.061 4.679 4.740 -0.000 0.000 0.178 127 N C 0.257 175.800 175.510 0.054 0.000 1.075 127 N CA 0.197 53.306 53.050 0.099 0.000 0.889 127 N CB 0.100 38.637 38.487 0.084 0.000 0.999 127 N HN -0.027 nan 8.380 nan 0.000 0.464 128 N N 0.515 119.232 118.700 0.030 0.000 2.723 128 N HA 0.243 4.983 4.740 -0.000 0.000 0.290 128 N C -2.903 172.592 175.510 -0.024 0.000 1.882 128 N CA -2.009 51.046 53.050 0.008 0.000 0.851 128 N CB 0.795 39.288 38.487 0.010 0.000 1.234 128 N HN 0.030 nan 8.380 nan 0.000 0.491 129 P HA 0.103 nan 4.420 nan 0.000 0.268 129 P C -0.118 177.149 177.300 -0.055 0.000 1.204 129 P CA 0.186 63.238 63.100 -0.080 0.000 0.768 129 P CB 1.243 32.884 31.700 -0.098 0.000 0.842 130 S N 0.186 115.849 115.700 -0.061 0.000 2.820 130 S HA 0.153 4.622 4.470 -0.000 0.000 0.265 130 S C 0.360 174.941 174.600 -0.032 0.000 1.043 130 S CA -0.406 57.775 58.200 -0.032 0.000 1.245 130 S CB -0.014 63.175 63.200 -0.019 0.000 1.187 130 S HN 0.263 nan 8.310 nan 0.000 0.673 131 K N 3.927 124.293 120.400 -0.057 0.000 2.267 131 K HA 0.536 4.855 4.320 -0.000 0.000 0.282 131 K C -3.150 173.425 176.600 -0.043 0.000 1.078 131 K CA -2.184 54.074 56.287 -0.048 0.000 0.903 131 K CB 0.502 32.962 32.500 -0.067 0.000 1.111 131 K HN 0.094 nan 8.250 nan 0.000 0.475 132 P HA 0.111 nan 4.420 nan 0.000 0.276 132 P C -1.185 176.120 177.300 0.008 0.000 1.230 132 P CA -0.448 62.661 63.100 0.014 0.000 0.776 132 P CB 1.027 32.753 31.700 0.043 0.000 0.888 133 V N 2.906 122.831 119.914 0.017 0.000 2.711 133 V HA 0.769 4.888 4.120 -0.000 0.000 0.304 133 V C 0.372 176.512 176.094 0.077 0.000 1.097 133 V CA 0.246 62.556 62.300 0.017 0.000 0.906 133 V CB 1.282 33.082 31.823 -0.038 0.000 1.015 133 V HN 0.972 nan 8.190 nan 0.000 0.427 134 G N 6.231 115.074 108.800 0.072 0.000 2.582 134 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.222 134 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.222 134 G C -3.061 171.873 174.900 0.057 0.000 1.311 134 G CA -0.230 44.922 45.100 0.086 0.000 0.915 134 G HN 0.726 nan 8.290 nan 0.000 0.528 135 P HA 0.566 nan 4.420 nan 0.000 0.279 135 P C 0.007 177.222 177.300 -0.142 0.000 1.282 135 P CA -0.568 62.455 63.100 -0.127 0.000 0.788 135 P CB 0.713 32.275 31.700 -0.230 0.000 1.139 136 I N 0.176 120.682 120.570 -0.106 0.000 2.395 136 I HA 0.157 4.326 4.170 -0.000 0.000 0.289 136 I C 0.060 176.140 176.117 -0.062 0.000 1.023 136 I CA -0.339 60.969 61.300 0.013 0.000 1.350 136 I CB 0.010 38.026 38.000 0.026 0.000 1.409 136 I HN 0.241 nan 8.210 nan 0.000 0.507 137 Y N 3.674 124.108 120.300 0.223 0.000 2.420 137 Y HA 0.545 5.094 4.550 -0.000 0.000 0.334 137 Y C 0.920 176.934 175.900 0.189 0.000 1.094 137 Y CA -0.578 57.636 58.100 0.191 0.000 1.126 137 Y CB 1.599 40.180 38.460 0.202 0.000 1.217 137 Y HN 0.566 nan 8.280 nan 0.000 0.462 138 G N 1.371 110.330 108.800 0.266 0.000 2.537 138 G HA2 0.178 4.138 3.960 -0.000 0.000 0.273 138 G HA3 0.178 4.138 3.960 -0.000 0.000 0.273 138 G C 0.745 175.747 174.900 0.170 0.000 1.189 138 G CA -0.580 44.645 45.100 0.208 0.000 0.881 138 G HN 0.839 nan 8.290 nan 0.000 0.535 139 R N -0.173 120.458 120.500 0.218 0.000 2.094 139 R HA -0.126 4.214 4.340 -0.000 0.000 0.239 139 R C 2.136 178.341 176.300 -0.159 0.000 1.137 139 R CA 1.915 58.035 56.100 0.034 0.000 0.943 139 R CB -0.150 30.256 30.300 0.177 0.000 0.850 139 R HN 0.582 nan 8.270 nan 0.000 0.433 140 E N 0.500 120.660 120.200 -0.066 0.000 2.058 140 E HA -0.244 4.106 4.350 -0.000 0.000 0.194 140 E C 1.809 178.334 176.600 -0.125 0.000 0.997 140 E CA 1.530 57.877 56.400 -0.088 0.000 0.801 140 E CB -0.281 29.395 29.700 -0.041 0.000 0.746 140 E HN 0.566 nan 8.360 nan 0.000 0.450 141 E N 0.547 120.695 120.200 -0.087 0.000 2.072 141 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 141 E C 1.985 178.450 176.600 -0.225 0.000 0.985 141 E CA 1.023 57.376 56.400 -0.079 0.000 0.801 141 E CB -0.021 29.716 29.700 0.062 0.000 0.750 141 E HN 0.173 nan 8.360 nan 0.000 0.452 142 A N 1.209 123.770 122.820 -0.431 0.000 1.902 142 A HA -0.210 4.109 4.320 -0.000 0.000 0.217 142 A C 1.931 179.084 177.584 -0.717 0.000 1.181 142 A CA 1.630 53.032 52.037 -1.060 0.000 0.623 142 A CB -0.522 17.500 19.000 -1.630 0.000 0.818 142 A HN 0.349 nan 8.150 nan 0.000 0.443 143 E N -0.756 119.148 120.200 -0.493 0.000 2.153 143 E HA -0.217 4.132 4.350 -0.000 0.000 0.194 143 E C 1.989 178.471 176.600 -0.196 0.000 0.988 143 E CA 1.209 57.432 56.400 -0.295 0.000 0.811 143 E CB -0.073 29.487 29.700 -0.233 0.000 0.746 143 E HN 0.685 nan 8.360 nan 0.000 0.466 144 E N 1.312 121.388 120.200 -0.207 0.000 2.072 144 E HA -0.115 4.235 4.350 -0.000 0.000 0.190 144 E C 1.947 178.404 176.600 -0.238 0.000 0.982 144 E CA 0.830 57.114 56.400 -0.193 0.000 0.803 144 E CB -0.197 29.398 29.700 -0.176 0.000 0.755 144 E HN 0.191 nan 8.360 nan 0.000 0.453 145 L N 0.084 121.166 121.223 -0.235 0.000 2.131 145 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 145 L C 2.431 179.231 176.870 -0.118 0.000 1.092 145 L CA 1.272 55.933 54.840 -0.298 0.000 0.759 145 L CB -0.303 41.607 42.059 -0.248 0.000 0.903 145 L HN 0.092 nan 8.230 nan 0.000 0.435 146 S N -0.743 115.003 115.700 0.078 0.000 2.371 146 S HA -0.150 4.320 4.470 -0.000 0.000 0.224 146 S C 2.059 176.675 174.600 0.027 0.000 1.029 146 S CA 0.947 59.240 58.200 0.155 0.000 0.978 146 S CB -0.190 63.111 63.200 0.169 0.000 0.833 146 S HN 0.349 nan 8.310 nan 0.000 0.466 147 R N 1.149 121.612 120.500 -0.061 0.000 2.090 147 R HA 0.050 4.390 4.340 -0.000 0.000 0.228 147 R C 2.499 178.721 176.300 -0.130 0.000 1.110 147 R CA 1.064 57.116 56.100 -0.081 0.000 0.973 147 R CB -0.088 30.151 30.300 -0.101 0.000 0.869 147 R HN 0.280 nan 8.270 nan 0.000 0.440 148 R N -0.965 119.381 120.500 -0.257 0.000 2.066 148 R HA -0.090 4.250 4.340 -0.000 0.000 0.224 148 R C 0.867 176.941 176.300 -0.376 0.000 1.122 148 R CA 1.296 57.140 56.100 -0.426 0.000 0.974 148 R CB 0.030 29.872 30.300 -0.763 0.000 0.871 148 R HN 0.232 nan 8.270 nan 0.000 0.435 149 Y N -0.913 119.304 120.300 -0.137 0.000 2.481 149 Y HA 0.391 4.941 4.550 -0.001 0.000 0.247 149 Y C 1.043 177.037 175.900 0.157 0.000 1.151 149 Y CA -0.091 57.987 58.100 -0.037 0.000 1.238 149 Y CB 0.983 39.303 38.460 -0.232 0.000 1.179 149 Y HN 0.382 nan 8.280 nan 0.000 0.524 150 G N -0.668 108.269 108.800 0.228 0.000 2.176 150 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.252 150 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.252 150 G C -0.145 174.962 174.900 0.345 0.000 1.024 150 G CA -0.228 45.013 45.100 0.235 0.000 0.755 150 G HN 0.183 nan 8.290 nan 0.000 0.507 151 W N -0.904 120.440 121.300 0.072 0.000 2.137 151 W HA 0.516 5.175 4.660 -0.001 0.000 0.344 151 W C 0.594 177.024 176.519 -0.148 0.000 1.286 151 W CA -0.685 56.610 57.345 -0.084 0.000 1.240 151 W CB 0.564 29.931 29.460 -0.155 0.000 1.141 151 W HN 0.141 nan 8.180 nan 0.000 0.579 152 V N 3.792 123.617 119.914 -0.148 0.000 2.513 152 V HA 0.493 4.613 4.120 -0.000 0.000 0.299 152 V C -0.524 175.334 176.094 -0.392 0.000 1.035 152 V CA -0.937 61.291 62.300 -0.119 0.000 0.889 152 V CB 1.008 32.796 31.823 -0.059 0.000 0.988 152 V HN 0.227 nan 8.190 nan 0.000 0.440 153 F N 2.228 122.219 119.950 0.068 0.000 2.593 153 F HA 0.673 5.199 4.527 -0.000 0.000 0.320 153 F C 0.171 176.071 175.800 0.166 0.000 1.060 153 F CA -0.891 57.176 58.000 0.113 0.000 0.940 153 F CB 2.122 41.166 39.000 0.074 0.000 1.268 153 F HN 0.202 nan 8.300 nan 0.000 0.475 154 K N 0.991 121.649 120.400 0.430 0.000 2.378 154 K HA 0.404 4.724 4.320 -0.000 0.000 0.252 154 K C -0.813 176.010 176.600 0.371 0.000 0.931 154 K CA -1.035 55.443 56.287 0.318 0.000 0.794 154 K CB 2.603 35.210 32.500 0.178 0.000 1.181 154 K HN 0.563 nan 8.250 nan 0.000 0.425 155 R N 2.060 122.720 120.500 0.267 0.000 2.491 155 R HA 0.012 4.352 4.340 -0.000 0.000 0.283 155 R C -0.663 175.601 176.300 -0.061 0.000 1.072 155 R CA -0.013 56.066 56.100 -0.034 0.000 1.048 155 R CB 0.600 30.855 30.300 -0.075 0.000 0.983 155 R HN 0.574 nan 8.270 nan 0.000 0.450 156 D N 5.468 125.775 120.400 -0.155 0.000 2.233 156 D HA 0.160 4.800 4.640 -0.000 0.000 0.240 156 D C -1.559 174.679 176.300 -0.103 0.000 1.074 156 D CA -2.158 51.798 54.000 -0.073 0.000 0.838 156 D CB 1.887 42.665 40.800 -0.037 0.000 1.124 156 D HN 0.378 nan 8.370 nan 0.000 0.475 157 P HA -0.113 nan 4.420 nan 0.000 0.219 157 P C 0.879 178.148 177.300 -0.051 0.000 1.146 157 P CA 0.810 63.879 63.100 -0.051 0.000 0.808 157 P CB 0.364 32.048 31.700 -0.026 0.000 0.779 158 R N -0.814 119.659 120.500 -0.046 0.000 2.299 158 R HA 0.331 4.670 4.340 -0.000 0.000 0.197 158 R C 0.757 177.026 176.300 -0.051 0.000 0.971 158 R CA 0.560 56.638 56.100 -0.037 0.000 1.030 158 R CB -0.011 30.276 30.300 -0.022 0.000 0.932 158 R HN 0.229 nan 8.270 nan 0.000 0.477 159 G N -0.572 108.176 108.800 -0.087 0.000 2.535 159 G HA2 0.326 4.285 3.960 -0.000 0.000 0.662 159 G HA3 0.326 4.285 3.960 -0.000 0.000 0.662 159 G C -0.115 174.698 174.900 -0.146 0.000 1.417 159 G CA -0.743 44.291 45.100 -0.111 0.000 0.866 159 G HN 0.462 nan 8.290 nan 0.000 0.647 160 G N -0.282 108.369 108.800 -0.248 0.000 2.681 160 G HA2 0.346 4.305 3.960 -0.000 0.000 0.220 160 G HA3 0.346 4.305 3.960 -0.000 0.000 0.220 160 G C -0.435 174.142 174.900 -0.538 0.000 1.353 160 G CA 0.211 45.176 45.100 -0.225 0.000 0.872 160 G HN 1.751 nan 8.290 nan 0.000 0.557 161 F N -0.158 119.880 119.950 0.146 0.000 2.603 161 F HA 0.825 5.351 4.527 -0.000 0.000 0.317 161 F C 0.537 176.570 175.800 0.390 0.000 1.066 161 F CA -0.979 57.159 58.000 0.229 0.000 0.941 161 F CB 2.103 41.200 39.000 0.162 0.000 1.291 161 F HN 0.399 nan 8.300 nan 0.000 0.472 162 R N 1.137 121.984 120.500 0.579 0.000 2.562 162 R HA 0.404 4.744 4.340 -0.000 0.000 0.298 162 R C -0.547 176.033 176.300 0.465 0.000 0.961 162 R CA -0.949 55.443 56.100 0.486 0.000 0.881 162 R CB 2.147 32.599 30.300 0.254 0.000 1.159 162 R HN 0.692 nan 8.270 nan 0.000 0.450 163 R N 1.961 122.663 120.500 0.337 0.000 2.438 163 R HA 0.284 4.623 4.340 -0.000 0.000 0.287 163 R C -0.361 175.845 176.300 -0.157 0.000 1.077 163 R CA -0.294 55.670 56.100 -0.226 0.000 1.034 163 R CB 0.637 30.744 30.300 -0.322 0.000 0.993 163 R HN 0.424 nan 8.270 nan 0.000 0.459 164 V N 2.905 122.674 119.914 -0.241 0.000 2.555 164 V HA 0.698 4.817 4.120 -0.000 0.000 0.302 164 V C -0.065 175.897 176.094 -0.221 0.000 1.038 164 V CA -0.879 61.330 62.300 -0.152 0.000 0.887 164 V CB 1.419 33.200 31.823 -0.071 0.000 0.991 164 V HN 0.594 nan 8.190 nan 0.000 0.434 165 V N 0.853 120.653 119.914 -0.189 0.000 3.074 165 V HA 0.818 4.937 4.120 -0.000 0.000 0.314 165 V C -2.873 173.110 176.094 -0.186 0.000 1.117 165 V CA -2.862 59.314 62.300 -0.207 0.000 1.014 165 V CB 1.732 33.424 31.823 -0.220 0.000 1.057 165 V HN 0.741 nan 8.190 nan 0.000 0.438 166 P HA 0.240 nan 4.420 nan 0.000 0.269 166 P C -0.388 176.723 177.300 -0.316 0.000 1.209 166 P CA 0.209 63.097 63.100 -0.352 0.000 0.776 166 P CB 0.868 32.148 31.700 -0.698 0.000 0.876 167 S N 2.515 118.048 115.700 -0.279 0.000 2.112 167 S HA 0.346 4.816 4.470 -0.000 0.000 0.151 167 S C -2.457 172.023 174.600 -0.200 0.000 1.723 167 S CA -1.664 56.418 58.200 -0.196 0.000 1.263 167 S CB -0.348 62.779 63.200 -0.122 0.000 1.194 167 S HN 0.221 nan 8.310 nan 0.000 0.419 168 P HA 0.201 nan 4.420 nan 0.000 0.272 168 P C -0.521 176.734 177.300 -0.075 0.000 1.230 168 P CA -0.429 62.559 63.100 -0.187 0.000 0.788 168 P CB 0.611 32.176 31.700 -0.224 0.000 0.949 169 R N 1.988 122.472 120.500 -0.027 0.000 2.490 169 R HA 0.268 4.607 4.340 -0.000 0.000 0.280 169 R C -1.746 174.558 176.300 0.007 0.000 1.077 169 R CA -1.491 54.603 56.100 -0.008 0.000 1.065 169 R CB -0.074 30.229 30.300 0.004 0.000 1.003 169 R HN 0.463 nan 8.270 nan 0.000 0.470 170 P HA 0.002 nan 4.420 nan 0.000 0.271 170 P C 0.090 177.401 177.300 0.017 0.000 1.216 170 P CA 0.046 63.151 63.100 0.009 0.000 0.771 170 P CB 1.158 32.858 31.700 0.000 0.000 0.864 171 V N 1.600 121.527 119.914 0.021 0.000 2.788 171 V HA 0.113 4.233 4.120 -0.000 0.000 0.241 171 V C 1.177 177.281 176.094 0.017 0.000 1.083 171 V CA 1.185 63.497 62.300 0.021 0.000 1.103 171 V CB 0.242 32.080 31.823 0.025 0.000 0.800 171 V HN 0.747 nan 8.190 nan 0.000 0.476 172 S N -0.845 114.864 115.700 0.015 0.000 2.547 172 S HA 0.562 5.032 4.470 -0.000 0.000 0.270 172 S C -1.821 172.785 174.600 0.009 0.000 1.150 172 S CA -0.557 57.651 58.200 0.013 0.000 0.850 172 S CB 1.645 64.851 63.200 0.011 0.000 1.118 172 S HN 0.023 nan 8.310 nan 0.000 0.461 173 I N 4.733 125.308 120.570 0.009 0.000 2.291 173 I HA 0.233 4.402 4.170 -0.000 0.000 0.290 173 I C 1.578 177.698 176.117 0.005 0.000 1.050 173 I CA -0.045 61.258 61.300 0.005 0.000 1.245 173 I CB 0.445 38.448 38.000 0.005 0.000 1.405 173 I HN 0.553 nan 8.210 nan 0.000 0.478 174 V N 5.221 125.137 119.914 0.003 0.000 2.324 174 V HA -0.235 3.884 4.120 -0.000 0.000 0.250 174 V C 1.337 177.434 176.094 0.004 0.000 1.060 174 V CA 1.816 64.118 62.300 0.002 0.000 1.042 174 V CB -0.397 31.426 31.823 -0.001 0.000 0.650 174 V HN 0.664 nan 8.190 nan 0.000 0.450 175 D N -0.743 119.660 120.400 0.005 0.000 2.395 175 D HA 0.033 4.673 4.640 -0.000 0.000 0.226 175 D C 1.989 178.295 176.300 0.009 0.000 1.146 175 D CA -0.175 53.830 54.000 0.008 0.000 0.830 175 D CB 0.022 40.828 40.800 0.009 0.000 0.958 175 D HN 0.215 nan 8.370 nan 0.000 0.501 176 R N 1.575 122.081 120.500 0.010 0.000 2.113 176 R HA -0.178 4.161 4.340 -0.000 0.000 0.244 176 R C 0.810 177.119 176.300 0.015 0.000 1.142 176 R CA 1.474 57.582 56.100 0.013 0.000 0.953 176 R CB -0.179 30.130 30.300 0.015 0.000 0.860 176 R HN 0.094 nan 8.270 nan 0.000 0.438 177 D N 0.649 121.058 120.400 0.013 0.000 2.123 177 D HA -0.145 4.495 4.640 -0.000 0.000 0.196 177 D C 2.097 178.406 176.300 0.015 0.000 0.992 177 D CA 1.062 55.070 54.000 0.014 0.000 0.833 177 D CB -0.253 40.554 40.800 0.012 0.000 0.954 177 D HN 0.281 nan 8.370 nan 0.000 0.455 178 L N 0.302 121.534 121.223 0.015 0.000 2.093 178 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 178 L C 2.454 179.334 176.870 0.018 0.000 1.085 178 L CA 0.564 55.414 54.840 0.016 0.000 0.755 178 L CB -0.211 41.858 42.059 0.017 0.000 0.904 178 L HN 0.026 nan 8.230 nan 0.000 0.435 179 I N -0.228 120.352 120.570 0.017 0.000 2.252 179 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 179 I C 2.795 178.924 176.117 0.021 0.000 1.102 179 I CA 1.087 62.398 61.300 0.018 0.000 1.385 179 I CB -0.439 37.569 38.000 0.014 0.000 1.064 179 I HN 0.180 nan 8.210 nan 0.000 0.414 180 A N 0.581 123.414 122.820 0.021 0.000 1.902 180 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 180 A C 2.196 179.794 177.584 0.022 0.000 1.181 180 A CA 1.693 53.744 52.037 0.024 0.000 0.623 180 A CB -0.565 18.449 19.000 0.023 0.000 0.818 180 A HN 0.427 nan 8.150 nan 0.000 0.443 181 E N -0.268 119.944 120.200 0.020 0.000 2.077 181 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 181 E C 2.305 178.917 176.600 0.020 0.000 0.989 181 E CA 0.976 57.387 56.400 0.018 0.000 0.800 181 E CB -0.291 29.419 29.700 0.016 0.000 0.746 181 E HN 0.619 nan 8.360 nan 0.000 0.452 182 A N 0.699 123.532 122.820 0.021 0.000 1.933 182 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 182 A C 2.257 179.856 177.584 0.024 0.000 1.175 182 A CA 1.720 53.771 52.037 0.022 0.000 0.628 182 A CB -0.593 18.422 19.000 0.024 0.000 0.814 182 A HN 0.207 nan 8.150 nan 0.000 0.444 183 S N -0.600 115.116 115.700 0.026 0.000 2.402 183 S HA 0.011 4.480 4.470 -0.000 0.000 0.229 183 S C 2.088 176.705 174.600 0.029 0.000 1.021 183 S CA 1.333 59.551 58.200 0.030 0.000 0.974 183 S CB -0.398 62.823 63.200 0.034 0.000 0.800 183 S HN 0.776 nan 8.310 nan 0.000 0.484 184 A N 0.940 123.775 122.820 0.024 0.000 1.969 184 A HA -0.000 4.319 4.320 -0.000 0.000 0.218 184 A C 2.041 179.636 177.584 0.018 0.000 1.169 184 A CA 1.216 53.265 52.037 0.021 0.000 0.635 184 A CB -0.298 18.712 19.000 0.018 0.000 0.810 184 A HN 0.496 nan 8.150 nan 0.000 0.445 185 E N -0.606 119.605 120.200 0.019 0.000 2.340 185 E HA 0.100 4.449 4.350 -0.000 0.000 0.194 185 E C 0.203 176.814 176.600 0.018 0.000 0.996 185 E CA 0.501 56.911 56.400 0.017 0.000 0.869 185 E CB 0.284 29.994 29.700 0.016 0.000 0.835 185 E HN 0.367 nan 8.360 nan 0.000 0.493 186 S N 0.326 116.039 115.700 0.021 0.000 2.540 186 S HA 0.323 4.793 4.470 -0.000 0.000 0.275 186 S C -2.336 172.282 174.600 0.029 0.000 1.123 186 S CA -1.503 56.710 58.200 0.023 0.000 0.907 186 S CB 1.908 65.121 63.200 0.022 0.000 1.081 186 S HN -0.231 nan 8.310 nan 0.000 0.476 187 P HA 0.199 nan 4.420 nan 0.000 0.233 187 P C -0.106 177.222 177.300 0.046 0.000 1.167 187 P CA 0.292 63.418 63.100 0.043 0.000 0.770 187 P CB 0.125 31.850 31.700 0.041 0.000 0.837 188 A N 0.057 122.898 122.820 0.034 0.000 2.385 188 A HA 0.569 4.889 4.320 -0.000 0.000 0.290 188 A C -0.989 176.611 177.584 0.027 0.000 1.094 188 A CA -0.495 51.559 52.037 0.029 0.000 0.729 188 A CB 1.583 20.597 19.000 0.023 0.000 1.194 188 A HN -0.118 nan 8.150 nan 0.000 0.442 189 V N 2.916 122.846 119.914 0.027 0.000 2.588 189 V HA 0.461 4.580 4.120 -0.000 0.000 0.304 189 V C -0.381 175.731 176.094 0.030 0.000 1.042 189 V CA -0.624 61.693 62.300 0.028 0.000 0.877 189 V CB 1.931 33.770 31.823 0.027 0.000 0.996 189 V HN 0.665 nan 8.190 nan 0.000 0.425 190 V N 4.016 123.955 119.914 0.042 0.000 2.394 190 V HA 0.928 5.048 4.120 -0.000 0.000 0.282 190 V C 0.356 176.482 176.094 0.053 0.000 1.031 190 V CA 0.135 62.472 62.300 0.062 0.000 0.881 190 V CB 1.164 33.040 31.823 0.089 0.000 0.982 190 V HN 1.132 nan 8.190 nan 0.000 0.451 191 A N 3.555 126.391 122.820 0.027 0.000 2.581 191 A HA 0.772 5.092 4.320 -0.000 0.000 0.290 191 A C -0.394 177.144 177.584 -0.078 0.000 1.119 191 A CA -0.791 51.241 52.037 -0.007 0.000 0.670 191 A CB 0.873 19.871 19.000 -0.003 0.000 1.280 191 A HN 1.246 nan 8.150 nan 0.000 0.425 192 L N -0.559 120.616 121.223 -0.080 0.000 3.678 192 L HA -0.135 4.205 4.340 -0.000 0.000 0.425 192 L C 0.825 177.544 176.870 -0.252 0.000 1.240 192 L CA 1.152 55.921 54.840 -0.120 0.000 0.876 192 L CB -1.383 40.617 42.059 -0.098 0.000 1.766 192 L HN 1.659 nan 8.230 nan 0.000 0.917 193 G N -0.323 108.285 108.800 -0.321 0.000 2.340 193 G HA2 0.472 4.431 3.960 -0.000 0.000 0.245 193 G HA3 0.472 4.431 3.960 -0.000 0.000 0.245 193 G C 1.236 175.925 174.900 -0.352 0.000 1.294 193 G CA -0.015 44.665 45.100 -0.700 0.000 0.896 193 G HN 1.725 nan 8.290 nan 0.000 0.522 194 G N 0.658 109.243 108.800 -0.358 0.000 2.175 194 G HA2 0.135 4.095 3.960 -0.000 0.000 0.265 194 G HA3 0.135 4.095 3.960 -0.000 0.000 0.265 194 G C 1.452 176.289 174.900 -0.106 0.000 0.979 194 G CA 1.097 46.120 45.100 -0.127 0.000 0.663 194 G HN 2.604 nan 8.290 nan 0.000 0.533 195 G N -1.954 106.762 108.800 -0.141 0.000 2.194 195 G HA2 0.469 4.429 3.960 -0.000 0.000 0.236 195 G HA3 0.469 4.429 3.960 -0.000 0.000 0.236 195 G C 1.464 176.323 174.900 -0.067 0.000 0.987 195 G CA 0.695 45.739 45.100 -0.093 0.000 0.635 195 G HN 2.955 nan 8.290 nan 0.000 0.520 196 G N -2.172 106.589 108.800 -0.066 0.000 2.629 196 G HA2 0.291 4.251 3.960 -0.000 0.000 0.686 196 G HA3 0.291 4.251 3.960 -0.000 0.000 0.686 196 G C -0.353 174.547 174.900 -0.000 0.000 1.232 196 G CA -0.038 45.043 45.100 -0.032 0.000 0.803 196 G HN 1.477 nan 8.290 nan 0.000 0.638 197 V N 3.249 123.175 119.914 0.021 0.000 2.405 197 V HA 0.376 4.496 4.120 -0.000 0.000 0.264 197 V C -1.507 174.602 176.094 0.026 0.000 1.048 197 V CA -0.763 61.565 62.300 0.047 0.000 0.966 197 V CB 1.216 33.078 31.823 0.066 0.000 1.015 197 V HN 0.616 nan 8.190 nan 0.000 0.477 198 P HA 0.268 nan 4.420 nan 0.000 0.276 198 P C -0.620 176.679 177.300 -0.001 0.000 1.235 198 P CA 0.131 63.248 63.100 0.029 0.000 0.772 198 P CB 0.979 32.712 31.700 0.055 0.000 0.871 199 V N 1.798 121.709 119.914 -0.005 0.000 3.040 199 V HA 0.841 4.961 4.120 -0.000 0.000 0.312 199 V C -0.248 175.841 176.094 -0.009 0.000 1.115 199 V CA -1.258 61.019 62.300 -0.038 0.000 0.998 199 V CB 2.075 33.864 31.823 -0.057 0.000 1.042 199 V HN 0.383 nan 8.190 nan 0.000 0.433 200 V N -0.315 119.578 119.914 -0.035 0.000 2.864 200 V HA 0.727 4.847 4.120 -0.000 0.000 0.314 200 V C -0.422 175.643 176.094 -0.048 0.000 1.073 200 V CA -0.738 61.539 62.300 -0.038 0.000 0.956 200 V CB 1.582 33.357 31.823 -0.080 0.000 1.023 200 V HN 1.037 nan 8.190 nan 0.000 0.435 201 E N 3.585 123.761 120.200 -0.040 0.000 2.223 201 E HA 0.453 4.803 4.350 -0.000 0.000 0.282 201 E C -0.542 176.030 176.600 -0.046 0.000 1.046 201 E CA -0.638 55.739 56.400 -0.038 0.000 0.857 201 E CB 0.870 30.555 29.700 -0.026 0.000 1.055 201 E HN 0.470 nan 8.360 nan 0.000 0.409 202 R N 2.879 123.352 120.500 -0.044 0.000 2.553 202 R HA 0.372 4.712 4.340 -0.000 0.000 0.263 202 R C -2.173 174.107 176.300 -0.033 0.000 1.066 202 R CA -2.489 53.585 56.100 -0.044 0.000 1.135 202 R CB -0.352 29.923 30.300 -0.043 0.000 1.148 202 R HN 0.487 nan 8.270 nan 0.000 0.558 203 P HA 0.032 nan 4.420 nan 0.000 0.264 203 P C 0.302 177.591 177.300 -0.019 0.000 1.193 203 P CA 0.492 63.578 63.100 -0.023 0.000 0.763 203 P CB 0.470 32.157 31.700 -0.021 0.000 0.810 204 G N 2.177 110.968 108.800 -0.016 0.000 2.163 204 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.213 204 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.213 204 G C 0.761 175.653 174.900 -0.013 0.000 0.991 204 G CA 0.132 45.224 45.100 -0.013 0.000 0.653 204 G HN 1.024 nan 8.290 nan 0.000 0.518 205 G N -1.991 106.800 108.800 -0.015 0.000 2.179 205 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.260 205 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.260 205 G C 0.615 175.505 174.900 -0.018 0.000 0.977 205 G CA 0.623 45.714 45.100 -0.015 0.000 0.641 205 G HN 1.655 nan 8.290 nan 0.000 0.533 206 V N 2.006 121.908 119.914 -0.021 0.000 2.572 206 V HA 0.377 4.496 4.120 -0.000 0.000 0.291 206 V C 1.129 177.203 176.094 -0.033 0.000 1.039 206 V CA 0.123 62.408 62.300 -0.025 0.000 1.055 206 V CB 1.312 33.120 31.823 -0.025 0.000 0.969 206 V HN 0.333 nan 8.190 nan 0.000 0.482 207 L N 5.180 126.381 121.223 -0.036 0.000 2.307 207 L HA 0.582 4.921 4.340 -0.000 0.000 0.282 207 L C 0.141 176.970 176.870 -0.067 0.000 1.051 207 L CA -0.093 54.719 54.840 -0.047 0.000 0.804 207 L CB 1.337 43.371 42.059 -0.040 0.000 1.197 207 L HN 0.686 nan 8.230 nan 0.000 0.431 208 E N 4.919 125.067 120.200 -0.087 0.000 2.246 208 E HA 0.413 4.762 4.350 -0.000 0.000 0.266 208 E C -2.576 173.912 176.600 -0.187 0.000 0.880 208 E CA -2.077 54.248 56.400 -0.125 0.000 0.762 208 E CB 2.499 32.140 29.700 -0.098 0.000 1.180 208 E HN 0.213 nan 8.360 nan 0.000 0.416 209 P HA 0.021 nan 4.420 nan 0.000 0.269 209 P C -0.785 176.255 177.300 -0.433 0.000 1.209 209 P CA -0.215 62.561 63.100 -0.540 0.000 0.776 209 P CB 0.735 31.693 31.700 -1.236 0.000 0.876 210 V N -1.066 118.745 119.914 -0.172 0.000 2.962 210 V HA 0.486 4.606 4.120 -0.000 0.000 0.313 210 V C -0.251 175.967 176.094 0.206 0.000 1.099 210 V CA -1.053 61.281 62.300 0.056 0.000 0.971 210 V CB 2.109 34.015 31.823 0.139 0.000 1.028 210 V HN 0.328 nan 8.190 nan 0.000 0.430 211 E N 2.003 122.333 120.200 0.217 0.000 2.003 211 E HA 0.638 4.987 4.350 -0.000 0.000 0.279 211 E C -0.037 176.584 176.600 0.035 0.000 1.132 211 E CA 0.203 56.678 56.400 0.126 0.000 0.888 211 E CB 1.057 30.758 29.700 0.002 0.000 1.056 211 E HN 1.095 nan 8.360 nan 0.000 0.399 212 A N 2.123 124.954 122.820 0.019 0.000 2.566 212 A HA 0.580 4.900 4.320 -0.000 0.000 0.290 212 A C -1.015 176.538 177.584 -0.051 0.000 1.071 212 A CA -0.755 51.240 52.037 -0.069 0.000 0.658 212 A CB 1.117 20.045 19.000 -0.120 0.000 1.285 212 A HN 0.317 nan 8.150 nan 0.000 0.427 213 V N -1.860 118.001 119.914 -0.088 0.000 2.960 213 V HA 0.943 5.063 4.120 -0.000 0.000 0.315 213 V C -0.687 175.363 176.094 -0.073 0.000 1.087 213 V CA -0.829 61.434 62.300 -0.061 0.000 0.982 213 V CB 1.463 33.251 31.823 -0.059 0.000 1.039 213 V HN 1.045 nan 8.190 nan 0.000 0.437 214 V N 2.056 121.939 119.914 -0.053 0.000 2.540 214 V HA 0.395 4.514 4.120 -0.000 0.000 0.302 214 V C -0.147 175.917 176.094 -0.051 0.000 1.035 214 V CA -0.417 61.852 62.300 -0.052 0.000 0.873 214 V CB 1.559 33.360 31.823 -0.037 0.000 0.992 214 V HN 1.107 nan 8.190 nan 0.000 0.428 215 D N 3.714 124.084 120.400 -0.049 0.000 2.487 215 D HA -0.020 4.620 4.640 -0.000 0.000 0.243 215 D C 1.152 177.422 176.300 -0.050 0.000 1.154 215 D CA 0.004 53.976 54.000 -0.046 0.000 0.876 215 D CB 1.179 41.956 40.800 -0.038 0.000 1.161 215 D HN 0.780 nan 8.370 nan 0.000 0.478 216 K N 3.390 123.755 120.400 -0.058 0.000 2.211 216 K HA -0.146 4.174 4.320 -0.000 0.000 0.203 216 K C 0.922 177.480 176.600 -0.070 0.000 1.050 216 K CA 1.098 57.340 56.287 -0.074 0.000 0.945 216 K CB 0.282 32.731 32.500 -0.085 0.000 0.732 216 K HN 0.262 nan 8.250 nan 0.000 0.451 217 D N 1.230 121.593 120.400 -0.061 0.000 2.137 217 D HA -0.044 4.595 4.640 -0.000 0.000 0.202 217 D C 2.103 178.373 176.300 -0.051 0.000 0.970 217 D CA 1.031 54.992 54.000 -0.063 0.000 0.837 217 D CB -0.052 40.710 40.800 -0.062 0.000 0.981 217 D HN 0.202 nan 8.370 nan 0.000 0.475 218 L N 1.019 122.219 121.223 -0.037 0.000 2.046 218 L HA -0.147 4.192 4.340 -0.000 0.000 0.208 218 L C 2.633 179.492 176.870 -0.018 0.000 1.077 218 L CA 1.124 55.951 54.840 -0.021 0.000 0.747 218 L CB -0.491 41.558 42.059 -0.016 0.000 0.896 218 L HN -0.031 nan 8.230 nan 0.000 0.432 219 A N -0.553 122.249 122.820 -0.031 0.000 1.898 219 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 219 A C 2.510 180.074 177.584 -0.033 0.000 1.181 219 A CA 1.988 54.007 52.037 -0.029 0.000 0.620 219 A CB -0.562 18.413 19.000 -0.042 0.000 0.819 219 A HN 0.366 nan 8.150 nan 0.000 0.442 220 S N -0.452 115.216 115.700 -0.054 0.000 2.382 220 S HA -0.136 4.334 4.470 -0.000 0.000 0.228 220 S C 2.303 176.864 174.600 -0.064 0.000 1.027 220 S CA 1.383 59.541 58.200 -0.070 0.000 0.991 220 S CB -0.326 62.816 63.200 -0.097 0.000 0.823 220 S HN 0.683 nan 8.310 nan 0.000 0.469 221 S N 1.260 116.934 115.700 -0.043 0.000 2.356 221 S HA -0.067 4.403 4.470 -0.000 0.000 0.223 221 S C 1.861 176.514 174.600 0.088 0.000 1.032 221 S CA 1.044 59.247 58.200 0.006 0.000 1.005 221 S CB -0.455 62.769 63.200 0.039 0.000 0.867 221 S HN 0.366 nan 8.310 nan 0.000 0.449 222 L N 1.480 122.735 121.223 0.054 0.000 2.042 222 L HA 0.027 4.367 4.340 -0.000 0.000 0.210 222 L C 2.138 179.043 176.870 0.060 0.000 1.076 222 L CA 1.685 56.560 54.840 0.060 0.000 0.749 222 L CB -0.896 41.181 42.059 0.031 0.000 0.893 222 L HN 0.447 nan 8.230 nan 0.000 0.432 223 L N -0.081 121.160 121.223 0.031 0.000 2.046 223 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 223 L C 2.522 179.425 176.870 0.054 0.000 1.077 223 L CA 2.104 56.959 54.840 0.025 0.000 0.747 223 L CB -1.169 40.886 42.059 -0.006 0.000 0.896 223 L HN 0.288 nan 8.230 nan 0.000 0.432 224 A N -1.637 121.217 122.820 0.057 0.000 1.908 224 A HA -0.222 4.097 4.320 -0.000 0.000 0.218 224 A C 2.282 180.043 177.584 0.295 0.000 1.181 224 A CA 2.391 54.495 52.037 0.112 0.000 0.627 224 A CB -1.238 17.700 19.000 -0.104 0.000 0.818 224 A HN 0.519 nan 8.150 nan 0.000 0.445 225 T N 0.017 114.753 114.554 0.303 0.000 2.777 225 T HA -0.148 4.202 4.350 -0.000 0.000 0.266 225 T C 2.011 176.772 174.700 0.101 0.000 1.040 225 T CA 1.662 63.878 62.100 0.193 0.000 1.141 225 T CB -0.241 68.701 68.868 0.122 0.000 0.868 225 T HN 0.618 nan 8.240 nan 0.000 0.444 226 Q N 0.172 120.021 119.800 0.082 0.000 2.297 226 Q HA 0.149 4.489 4.340 -0.000 0.000 0.204 226 Q C 1.950 177.982 176.000 0.052 0.000 0.962 226 Q CA 0.682 56.516 55.803 0.052 0.000 0.879 226 Q CB -0.127 28.634 28.738 0.039 0.000 0.947 226 Q HN 0.464 nan 8.270 nan 0.000 0.462 227 L N 0.170 121.435 121.223 0.070 0.000 2.591 227 L HA 0.059 4.399 4.340 -0.000 0.000 0.228 227 L C -0.288 176.628 176.870 0.077 0.000 1.133 227 L CA 0.032 54.910 54.840 0.064 0.000 0.880 227 L CB -0.281 41.815 42.059 0.062 0.000 1.033 227 L HN 0.317 nan 8.230 nan 0.000 0.450 228 N N 0.069 118.823 118.700 0.090 0.000 2.740 228 N HA -0.176 4.563 4.740 -0.000 0.000 0.248 228 N C 0.265 175.854 175.510 0.132 0.000 1.062 228 N CA 0.178 53.283 53.050 0.090 0.000 0.704 228 N CB -0.712 37.808 38.487 0.055 0.000 0.968 228 N HN 0.429 nan 8.380 nan 0.000 0.547 229 A N 0.022 122.959 122.820 0.194 0.000 2.425 229 A HA 0.095 4.415 4.320 -0.000 0.000 0.242 229 A C 1.102 178.859 177.584 0.290 0.000 1.077 229 A CA 0.066 52.228 52.037 0.209 0.000 0.781 229 A CB 0.384 19.479 19.000 0.157 0.000 1.020 229 A HN 0.309 nan 8.150 nan 0.000 0.494 230 D N -0.758 119.801 120.400 0.266 0.000 2.289 230 D HA 0.138 4.777 4.640 -0.000 0.000 0.207 230 D C -0.150 176.360 176.300 0.349 0.000 0.966 230 D CA 1.028 55.203 54.000 0.292 0.000 0.868 230 D CB 0.207 41.178 40.800 0.283 0.000 0.943 230 D HN 0.300 nan 8.370 nan 0.000 0.514 231 L N 0.365 121.733 121.223 0.242 0.000 2.545 231 L HA 0.356 4.695 4.340 -0.000 0.000 0.258 231 L C -2.193 174.460 176.870 -0.361 0.000 0.942 231 L CA -0.958 53.899 54.840 0.028 0.000 0.855 231 L CB 2.204 44.254 42.059 -0.016 0.000 1.374 231 L HN -0.241 nan 8.230 nan 0.000 0.411 232 L N 4.985 125.792 121.223 -0.693 0.000 2.313 232 L HA 0.844 5.184 4.340 -0.000 0.000 0.283 232 L C -1.431 175.184 176.870 -0.425 0.000 1.013 232 L CA -0.274 54.111 54.840 -0.759 0.000 0.816 232 L CB 1.714 43.036 42.059 -1.228 0.000 1.236 232 L HN 0.393 nan 8.230 nan 0.000 0.419 233 V N 6.697 126.408 119.914 -0.338 0.000 2.487 233 V HA 0.504 4.624 4.120 -0.000 0.000 0.298 233 V C -0.112 175.858 176.094 -0.207 0.000 1.028 233 V CA -0.434 61.709 62.300 -0.261 0.000 0.860 233 V CB 1.735 33.384 31.823 -0.290 0.000 0.991 233 V HN 0.621 nan 8.190 nan 0.000 0.427 234 I N 5.828 126.297 120.570 -0.167 0.000 2.382 234 I HA 0.421 4.591 4.170 -0.000 0.000 0.285 234 I C -0.696 175.352 176.117 -0.115 0.000 1.007 234 I CA -0.344 60.875 61.300 -0.134 0.000 1.142 234 I CB 1.486 39.412 38.000 -0.123 0.000 1.289 234 I HN 0.343 nan 8.210 nan 0.000 0.453 235 L N 6.252 127.412 121.223 -0.105 0.000 2.265 235 L HA 0.476 4.816 4.340 -0.000 0.000 0.289 235 L C 0.331 177.157 176.870 -0.074 0.000 1.033 235 L CA 0.021 54.806 54.840 -0.091 0.000 0.814 235 L CB 1.579 43.583 42.059 -0.092 0.000 1.203 235 L HN 0.592 nan 8.230 nan 0.000 0.423 236 T N -0.656 113.857 114.554 -0.068 0.000 2.644 236 T HA 0.211 4.560 4.350 -0.000 0.000 0.253 236 T C 0.059 174.730 174.700 -0.047 0.000 0.910 236 T CA -0.321 61.747 62.100 -0.053 0.000 1.066 236 T CB 1.278 70.116 68.868 -0.049 0.000 1.484 236 T HN 0.728 nan 8.240 nan 0.000 0.560 237 D N 0.879 121.261 120.400 -0.030 0.000 2.424 237 D HA 0.205 4.845 4.640 -0.000 0.000 0.220 237 D C 0.385 176.669 176.300 -0.026 0.000 1.150 237 D CA -0.125 53.859 54.000 -0.026 0.000 0.831 237 D CB -0.461 40.336 40.800 -0.006 0.000 0.981 237 D HN 0.392 nan 8.370 nan 0.000 0.500 238 V N -3.980 115.910 119.914 -0.040 0.000 3.040 238 V HA 0.500 4.620 4.120 -0.000 0.000 0.312 238 V C -2.088 173.901 176.094 -0.175 0.000 1.115 238 V CA -1.951 60.299 62.300 -0.084 0.000 0.998 238 V CB 2.017 33.895 31.823 0.091 0.000 1.042 238 V HN -0.335 nan 8.190 nan 0.000 0.433 239 P HA 0.136 nan 4.420 nan 0.000 0.228 239 P C 0.695 177.919 177.300 -0.127 0.000 1.151 239 P CA 2.016 64.906 63.100 -0.350 0.000 0.770 239 P CB 0.248 31.574 31.700 -0.624 0.000 0.786 240 G N -1.612 107.218 108.800 0.051 0.000 2.491 240 G HA2 0.122 4.081 3.960 -0.000 0.000 0.183 240 G HA3 0.122 4.081 3.960 -0.000 0.000 0.183 240 G C -1.638 173.409 174.900 0.244 0.000 1.221 240 G CA -0.426 44.760 45.100 0.143 0.000 0.996 240 G HN -0.069 nan 8.290 nan 0.000 0.474 241 V N 1.098 121.085 119.914 0.123 0.000 2.472 241 V HA 0.777 4.896 4.120 -0.000 0.000 0.290 241 V C 0.576 176.622 176.094 -0.081 0.000 1.037 241 V CA 0.255 62.517 62.300 -0.063 0.000 0.908 241 V CB 0.920 32.621 31.823 -0.202 0.000 0.985 241 V HN 1.776 nan 8.190 nan 0.000 0.454 242 A N 3.764 126.398 122.820 -0.311 0.000 2.449 242 A HA 0.867 5.187 4.320 -0.000 0.000 0.302 242 A C -0.667 176.780 177.584 -0.229 0.000 1.048 242 A CA -0.609 51.121 52.037 -0.511 0.000 0.708 242 A CB 1.954 20.086 19.000 -1.447 0.000 1.274 242 A HN 1.230 nan 8.150 nan 0.000 0.410 243 V N 0.140 119.890 119.914 -0.272 0.000 2.617 243 V HA 0.610 4.730 4.120 -0.000 0.000 0.298 243 V C 0.348 176.356 176.094 -0.143 0.000 1.048 243 V CA -0.420 61.710 62.300 -0.283 0.000 0.964 243 V CB 0.724 32.220 31.823 -0.545 0.000 1.004 243 V HN 1.021 nan 8.190 nan 0.000 0.466 244 N N 0.137 118.843 118.700 0.010 0.000 2.725 244 N HA -0.243 4.496 4.740 -0.000 0.000 0.249 244 N C -0.380 175.098 175.510 -0.053 0.000 1.103 244 N CA 1.163 54.206 53.050 -0.012 0.000 0.707 244 N CB -1.869 36.600 38.487 -0.030 0.000 1.043 244 N HN 1.044 nan 8.380 nan 0.000 0.553 245 Y N 0.809 120.996 120.300 -0.189 0.000 2.810 245 Y HA 0.254 4.803 4.550 -0.000 0.000 0.332 245 Y C 1.640 177.468 175.900 -0.120 0.000 1.243 245 Y CA 1.152 59.108 58.100 -0.240 0.000 1.537 245 Y CB -0.128 38.209 38.460 -0.205 0.000 1.265 245 Y HN 0.373 nan 8.280 nan 0.000 0.572 246 G N 5.043 113.480 108.800 -0.605 0.000 2.203 246 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.263 246 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.263 246 G C 0.323 175.078 174.900 -0.241 0.000 1.012 246 G CA 0.629 45.423 45.100 -0.510 0.000 0.749 246 G HN 0.744 nan 8.290 nan 0.000 0.512 247 R N -1.226 119.177 120.500 -0.161 0.000 2.922 247 R HA 0.493 4.833 4.340 -0.000 0.000 0.256 247 R C 1.178 177.440 176.300 -0.064 0.000 1.138 247 R CA -0.508 55.533 56.100 -0.098 0.000 0.995 247 R CB 0.755 31.003 30.300 -0.087 0.000 1.226 247 R HN 0.201 nan 8.270 nan 0.000 0.481 248 E N 0.698 120.871 120.200 -0.045 0.000 2.028 248 E HA -0.200 4.150 4.350 -0.000 0.000 0.217 248 E C 1.324 177.912 176.600 -0.021 0.000 1.039 248 E CA 1.810 58.194 56.400 -0.026 0.000 0.882 248 E CB -0.400 29.288 29.700 -0.020 0.000 0.794 248 E HN 0.757 nan 8.360 nan 0.000 0.488 249 G N 1.683 110.472 108.800 -0.019 0.000 3.318 249 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.230 249 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.230 249 G C 0.014 174.893 174.900 -0.036 0.000 1.317 249 G CA -0.130 44.960 45.100 -0.016 0.000 1.197 249 G HN 0.159 nan 8.290 nan 0.000 0.514 250 E N 0.567 120.737 120.200 -0.049 0.000 2.415 250 E HA 0.190 4.540 4.350 -0.000 0.000 0.263 250 E C 0.087 176.628 176.600 -0.100 0.000 0.995 250 E CA -0.104 56.235 56.400 -0.102 0.000 0.915 250 E CB 0.394 30.037 29.700 -0.095 0.000 0.951 250 E HN 0.280 nan 8.360 nan 0.000 0.449 251 R N 4.673 125.058 120.500 -0.193 0.000 2.522 251 R HA 0.187 4.526 4.340 -0.000 0.000 0.283 251 R C -1.755 174.420 176.300 -0.208 0.000 1.074 251 R CA -0.684 55.350 56.100 -0.111 0.000 0.925 251 R CB 0.831 31.099 30.300 -0.055 0.000 1.205 251 R HN 0.484 nan 8.270 nan 0.000 0.436 252 W N 5.699 127.012 121.300 0.022 0.000 2.335 252 W HA 0.332 4.991 4.660 -0.001 0.000 0.306 252 W C 0.073 176.587 176.519 -0.008 0.000 1.216 252 W CA -0.410 56.941 57.345 0.009 0.000 1.237 252 W CB 0.675 30.143 29.460 0.013 0.000 1.243 252 W HN 0.249 nan 8.180 nan 0.000 0.493 253 L N 4.003 125.310 121.223 0.139 0.000 2.397 253 L HA 0.299 4.638 4.340 -0.000 0.000 0.271 253 L C 1.563 178.492 176.870 0.099 0.000 1.148 253 L CA -0.559 54.329 54.840 0.080 0.000 0.825 253 L CB 0.878 42.950 42.059 0.021 0.000 1.117 253 L HN 0.464 nan 8.230 nan 0.000 0.456 254 R N 1.756 122.300 120.500 0.072 0.000 2.195 254 R HA 0.253 4.593 4.340 -0.000 0.000 0.197 254 R C -0.050 176.274 176.300 0.040 0.000 0.990 254 R CA 0.796 56.929 56.100 0.056 0.000 1.048 254 R CB 0.517 30.847 30.300 0.050 0.000 0.997 254 R HN 0.588 nan 8.270 nan 0.000 0.502 255 R N -1.052 119.472 120.500 0.040 0.000 2.604 255 R HA 0.708 5.048 4.340 -0.000 0.000 0.270 255 R C -1.773 174.551 176.300 0.041 0.000 1.052 255 R CA -0.477 55.645 56.100 0.036 0.000 0.902 255 R CB 2.320 32.641 30.300 0.035 0.000 1.233 255 R HN 0.133 nan 8.270 nan 0.000 0.455 256 A N 1.205 124.050 122.820 0.042 0.000 2.540 256 A HA 0.724 5.043 4.320 -0.000 0.000 0.297 256 A C -1.250 176.366 177.584 0.054 0.000 1.056 256 A CA -0.586 51.484 52.037 0.056 0.000 0.700 256 A CB 1.686 20.727 19.000 0.067 0.000 1.280 256 A HN 0.764 nan 8.150 nan 0.000 0.398 257 A N 1.073 123.927 122.820 0.057 0.000 2.440 257 A HA 0.572 4.892 4.320 -0.000 0.000 0.251 257 A C 1.474 179.089 177.584 0.052 0.000 1.089 257 A CA 0.396 52.460 52.037 0.045 0.000 0.779 257 A CB 0.074 19.095 19.000 0.036 0.000 1.022 257 A HN 2.304 nan 8.150 nan 0.000 0.492 258 A N 2.157 125.002 122.820 0.041 0.000 1.948 258 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 258 A C 2.446 180.056 177.584 0.044 0.000 1.177 258 A CA 2.572 54.634 52.037 0.043 0.000 0.636 258 A CB -1.107 17.913 19.000 0.033 0.000 0.815 258 A HN 1.711 nan 8.150 nan 0.000 0.449 259 S N -0.491 115.226 115.700 0.029 0.000 2.382 259 S HA -0.170 4.300 4.470 -0.000 0.000 0.228 259 S C 1.656 176.263 174.600 0.012 0.000 1.027 259 S CA 1.371 59.580 58.200 0.016 0.000 0.991 259 S CB -0.326 62.876 63.200 0.004 0.000 0.823 259 S HN 0.563 nan 8.310 nan 0.000 0.469 260 E N 1.560 121.777 120.200 0.029 0.000 2.072 260 E HA 0.105 4.455 4.350 -0.000 0.000 0.190 260 E C 2.191 178.852 176.600 0.102 0.000 0.982 260 E CA 0.721 57.133 56.400 0.020 0.000 0.803 260 E CB -0.451 29.294 29.700 0.075 0.000 0.755 260 E HN 0.538 nan 8.360 nan 0.000 0.453 261 L N 0.704 122.043 121.223 0.192 0.000 2.141 261 L HA -0.137 4.202 4.340 -0.000 0.000 0.209 261 L C 2.602 179.639 176.870 0.277 0.000 1.094 261 L CA 0.997 56.027 54.840 0.317 0.000 0.763 261 L CB -0.311 41.846 42.059 0.163 0.000 0.908 261 L HN 0.073 nan 8.230 nan 0.000 0.437 262 K N 0.541 121.023 120.400 0.137 0.000 2.147 262 K HA -0.190 4.130 4.320 -0.000 0.000 0.205 262 K C 2.072 178.718 176.600 0.077 0.000 1.049 262 K CA 1.265 57.615 56.287 0.104 0.000 0.936 262 K CB 0.155 32.686 32.500 0.052 0.000 0.722 262 K HN 0.239 nan 8.250 nan 0.000 0.446 263 K N -0.658 119.739 120.400 -0.006 0.000 2.025 263 K HA -0.145 4.174 4.320 -0.000 0.000 0.207 263 K C 2.071 178.621 176.600 -0.082 0.000 1.049 263 K CA 1.523 57.747 56.287 -0.105 0.000 0.933 263 K CB -0.228 32.113 32.500 -0.266 0.000 0.714 263 K HN 0.126 nan 8.250 nan 0.000 0.438 264 Y N 1.086 121.402 120.300 0.026 0.000 2.224 264 Y HA -0.200 4.350 4.550 -0.001 0.000 0.289 264 Y C 2.185 178.070 175.900 -0.025 0.000 1.146 264 Y CA 0.764 58.817 58.100 -0.078 0.000 1.182 264 Y CB -0.534 37.808 38.460 -0.196 0.000 0.983 264 Y HN 0.012 nan 8.280 nan 0.000 0.524 265 L N 0.603 122.034 121.223 0.348 0.000 2.042 265 L HA -0.201 4.138 4.340 -0.000 0.000 0.210 265 L C 2.152 179.122 176.870 0.165 0.000 1.076 265 L CA 1.791 56.841 54.840 0.349 0.000 0.749 265 L CB -0.478 41.786 42.059 0.340 0.000 0.893 265 L HN 0.062 nan 8.230 nan 0.000 0.432 266 R N -0.568 119.999 120.500 0.111 0.000 2.237 266 R HA -0.047 4.293 4.340 -0.000 0.000 0.219 266 R C 1.131 177.457 176.300 0.043 0.000 1.080 266 R CA 0.773 56.910 56.100 0.062 0.000 0.995 266 R CB -0.134 30.188 30.300 0.036 0.000 0.875 266 R HN 0.419 nan 8.270 nan 0.000 0.462 267 E N -0.352 119.882 120.200 0.056 0.000 2.463 267 E HA 0.084 4.434 4.350 -0.000 0.000 0.193 267 E C 0.793 177.380 176.600 -0.022 0.000 1.041 267 E CA 0.306 56.728 56.400 0.038 0.000 0.879 267 E CB 0.956 30.719 29.700 0.105 0.000 0.997 267 E HN 0.448 nan 8.360 nan 0.000 0.478 268 G N 1.615 110.404 108.800 -0.018 0.000 2.160 268 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.251 268 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.251 268 G C 0.777 175.577 174.900 -0.167 0.000 1.008 268 G CA 0.450 45.514 45.100 -0.061 0.000 0.724 268 G HN 0.407 nan 8.290 nan 0.000 0.514 269 H N -1.254 117.615 119.070 -0.335 0.000 2.491 269 H HA 0.087 4.642 4.556 -0.001 0.000 0.290 269 H C 0.325 175.268 175.328 -0.642 0.000 1.050 269 H CA 1.219 56.913 56.048 -0.591 0.000 1.309 269 H CB 0.141 29.330 29.762 -0.955 0.000 1.392 269 H HN 0.437 nan 8.280 nan 0.000 0.554 270 F N 1.075 121.094 119.950 0.114 0.000 2.403 270 F HA 0.341 4.868 4.527 -0.001 0.000 0.355 270 F C -2.082 173.738 175.800 0.034 0.000 1.119 270 F CA -3.548 54.481 58.000 0.048 0.000 1.007 270 F CB 0.888 39.903 39.000 0.025 0.000 1.194 270 F HN -0.219 nan 8.300 nan 0.000 0.443 271 P HA -0.033 nan 4.420 nan 0.000 0.257 271 P C -1.983 175.378 177.300 0.101 0.000 1.162 271 P CA -0.517 62.652 63.100 0.115 0.000 0.762 271 P CB 0.321 32.094 31.700 0.121 0.000 0.753 272 P HA -0.126 nan 4.420 nan 0.000 0.221 272 P C 1.274 178.597 177.300 0.039 0.000 1.145 272 P CA 1.550 64.683 63.100 0.056 0.000 0.795 272 P CB -0.043 31.681 31.700 0.039 0.000 0.775 273 G N -1.810 107.015 108.800 0.041 0.000 3.042 273 G HA2 0.093 4.053 3.960 -0.000 0.000 0.212 273 G HA3 0.093 4.053 3.960 -0.000 0.000 0.212 273 G C 0.887 175.805 174.900 0.030 0.000 1.166 273 G CA 0.730 45.848 45.100 0.030 0.000 0.767 273 G HN 0.420 nan 8.290 nan 0.000 0.546 274 S N -1.046 114.676 115.700 0.036 0.000 5.058 274 S HA 0.170 4.640 4.470 -0.000 0.000 0.145 274 S C 1.605 176.203 174.600 -0.002 0.000 1.005 274 S CA 0.504 58.717 58.200 0.022 0.000 1.316 274 S CB -0.114 63.112 63.200 0.043 0.000 2.001 274 S HN -0.027 nan 8.310 nan 0.000 0.729 275 M N 3.428 123.027 119.600 -0.001 0.000 2.419 275 M HA 0.383 4.863 4.480 -0.000 0.000 0.264 275 M C 1.788 178.054 176.300 -0.056 0.000 1.082 275 M CA 1.464 56.726 55.300 -0.063 0.000 1.119 275 M CB -1.244 31.294 32.600 -0.104 0.000 1.398 275 M HN 0.623 nan 8.290 nan 0.000 0.453 276 G N 0.729 109.570 108.800 0.067 0.000 2.514 276 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.217 276 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.217 276 G C -0.937 173.975 174.900 0.019 0.000 1.198 276 G CA 0.709 45.873 45.100 0.107 0.000 0.780 276 G HN 0.380 nan 8.290 nan 0.000 0.565 277 P HA -0.008 nan 4.420 nan 0.000 0.218 277 P C 1.732 179.005 177.300 -0.045 0.000 1.148 277 P CA 1.322 64.412 63.100 -0.015 0.000 0.822 277 P CB 0.019 31.709 31.700 -0.017 0.000 0.784 278 K N -0.791 119.565 120.400 -0.074 0.000 2.057 278 K HA -0.056 4.264 4.320 -0.000 0.000 0.206 278 K C 1.933 178.455 176.600 -0.129 0.000 1.050 278 K CA 1.087 57.313 56.287 -0.102 0.000 0.935 278 K CB -0.800 31.629 32.500 -0.118 0.000 0.715 278 K HN -0.004 nan 8.250 nan 0.000 0.439 279 V N 2.026 121.826 119.914 -0.191 0.000 2.358 279 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 279 V C 1.921 177.958 176.094 -0.094 0.000 1.047 279 V CA 1.737 63.897 62.300 -0.235 0.000 1.035 279 V CB -0.399 31.130 31.823 -0.491 0.000 0.658 279 V HN 0.330 nan 8.190 nan 0.000 0.452 280 E N 0.556 120.730 120.200 -0.044 0.000 2.077 280 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 280 E C 2.336 178.938 176.600 0.004 0.000 0.989 280 E CA 1.374 57.776 56.400 0.003 0.000 0.800 280 E CB -0.379 29.331 29.700 0.017 0.000 0.746 280 E HN 0.600 nan 8.360 nan 0.000 0.452 281 A N 1.704 124.516 122.820 -0.013 0.000 1.877 281 A HA -0.136 4.183 4.320 -0.000 0.000 0.216 281 A C 2.442 180.042 177.584 0.026 0.000 1.186 281 A CA 1.807 53.844 52.037 -0.001 0.000 0.620 281 A CB -0.759 18.221 19.000 -0.034 0.000 0.822 281 A HN 0.296 nan 8.150 nan 0.000 0.443 282 A N -0.071 122.747 122.820 -0.005 0.000 1.877 282 A HA -0.106 4.213 4.320 -0.000 0.000 0.216 282 A C 2.143 179.779 177.584 0.087 0.000 1.186 282 A CA 1.590 53.643 52.037 0.027 0.000 0.620 282 A CB -0.654 18.328 19.000 -0.030 0.000 0.822 282 A HN 0.504 nan 8.150 nan 0.000 0.443 283 I N -0.244 120.353 120.570 0.045 0.000 2.179 283 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 283 I C 2.704 178.858 176.117 0.061 0.000 1.088 283 I CA 1.516 62.846 61.300 0.050 0.000 1.357 283 I CB -0.344 37.678 38.000 0.036 0.000 1.051 283 I HN 0.237 nan 8.210 nan 0.000 0.409 284 S N 0.620 116.360 115.700 0.067 0.000 2.370 284 S HA -0.217 4.253 4.470 -0.000 0.000 0.226 284 S C 1.867 176.519 174.600 0.088 0.000 1.033 284 S CA 1.498 59.737 58.200 0.064 0.000 1.011 284 S CB -0.476 62.762 63.200 0.063 0.000 0.852 284 S HN 0.404 nan 8.310 nan 0.000 0.457 285 F N 2.441 122.383 119.950 -0.013 0.000 2.102 285 F HA -0.128 4.399 4.527 -0.001 0.000 0.298 285 F C 2.162 177.959 175.800 -0.004 0.000 1.105 285 F CA 1.046 59.040 58.000 -0.010 0.000 1.239 285 F CB -0.636 38.354 39.000 -0.017 0.000 0.991 285 F HN -0.037 nan 8.300 nan 0.000 0.474 286 V N 0.647 120.568 119.914 0.011 0.000 2.295 286 V HA -0.305 3.815 4.120 -0.000 0.000 0.246 286 V C 2.248 178.270 176.094 -0.120 0.000 1.049 286 V CA 2.369 64.621 62.300 -0.082 0.000 1.024 286 V CB -0.782 31.057 31.823 0.026 0.000 0.648 286 V HN 0.367 nan 8.190 nan 0.000 0.447 287 E N -0.086 120.075 120.200 -0.064 0.000 2.106 287 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 287 E C 2.414 178.963 176.600 -0.086 0.000 0.984 287 E CA 1.100 57.466 56.400 -0.056 0.000 0.806 287 E CB -0.167 29.520 29.700 -0.022 0.000 0.750 287 E HN 0.552 nan 8.360 nan 0.000 0.458 288 R N -0.030 120.402 120.500 -0.113 0.000 2.161 288 R HA -0.015 4.325 4.340 -0.000 0.000 0.213 288 R C 2.296 178.486 176.300 -0.183 0.000 1.055 288 R CA 1.593 57.623 56.100 -0.117 0.000 0.996 288 R CB 0.134 30.388 30.300 -0.076 0.000 0.901 288 R HN 0.228 nan 8.270 nan 0.000 0.456 289 T N -5.057 109.299 114.554 -0.330 0.000 2.964 289 T HA 0.221 4.571 4.350 -0.000 0.000 0.249 289 T C 1.438 175.974 174.700 -0.274 0.000 1.000 289 T CA 0.517 62.397 62.100 -0.368 0.000 0.992 289 T CB 1.032 69.473 68.868 -0.712 0.000 1.087 289 T HN 0.267 nan 8.240 nan 0.000 0.489 290 G N 1.657 110.304 108.800 -0.254 0.000 2.159 290 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.256 290 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.256 290 G C -0.088 174.740 174.900 -0.119 0.000 0.977 290 G CA 0.358 45.372 45.100 -0.143 0.000 0.652 290 G HN 0.720 nan 8.290 nan 0.000 0.531 291 K N 0.517 120.797 120.400 -0.199 0.000 2.123 291 K HA 0.551 4.871 4.320 -0.000 0.000 0.248 291 K C -2.580 174.077 176.600 0.096 0.000 0.969 291 K CA -2.186 54.078 56.287 -0.037 0.000 0.882 291 K CB 1.627 34.140 32.500 0.022 0.000 1.080 291 K HN -0.036 nan 8.250 nan 0.000 0.441 292 P HA 0.086 nan 4.420 nan 0.000 0.272 292 P C -1.455 176.015 177.300 0.284 0.000 1.223 292 P CA -0.201 63.009 63.100 0.184 0.000 0.784 292 P CB 0.919 32.692 31.700 0.122 0.000 0.923 293 A N 1.616 124.549 122.820 0.187 0.000 2.413 293 A HA 0.718 5.038 4.320 -0.000 0.000 0.307 293 A C -1.288 176.292 177.584 -0.006 0.000 1.087 293 A CA -0.741 51.337 52.037 0.069 0.000 0.750 293 A CB 1.622 20.687 19.000 0.108 0.000 1.296 293 A HN 0.420 nan 8.150 nan 0.000 0.423 294 V N 2.531 122.398 119.914 -0.078 0.000 2.841 294 V HA 0.699 4.819 4.120 -0.000 0.000 0.310 294 V C -1.418 174.616 176.094 -0.100 0.000 1.090 294 V CA -0.640 61.617 62.300 -0.073 0.000 0.930 294 V CB 1.656 33.436 31.823 -0.072 0.000 1.014 294 V HN 0.744 nan 8.190 nan 0.000 0.425 295 I N 6.277 126.799 120.570 -0.081 0.000 2.418 295 I HA 0.822 4.991 4.170 -0.000 0.000 0.287 295 I C 0.494 176.570 176.117 -0.068 0.000 1.008 295 I CA -0.051 61.196 61.300 -0.088 0.000 1.104 295 I CB 1.645 39.587 38.000 -0.097 0.000 1.264 295 I HN 0.826 nan 8.210 nan 0.000 0.438 296 G N 3.070 111.823 108.800 -0.079 0.000 2.782 296 G HA2 0.419 4.378 3.960 -0.000 0.000 0.304 296 G HA3 0.419 4.378 3.960 -0.000 0.000 0.304 296 G C -1.540 173.310 174.900 -0.083 0.000 1.315 296 G CA -0.439 44.616 45.100 -0.075 0.000 0.791 296 G HN 0.413 nan 8.290 nan 0.000 0.519 297 S N -0.895 114.750 115.700 -0.092 0.000 2.562 297 S HA 0.264 4.733 4.470 -0.000 0.000 0.275 297 S C 1.473 176.023 174.600 -0.083 0.000 1.281 297 S CA -0.494 57.651 58.200 -0.092 0.000 1.045 297 S CB 1.061 64.195 63.200 -0.110 0.000 0.962 297 S HN 0.897 nan 8.310 nan 0.000 0.503 298 L N 4.665 125.843 121.223 -0.074 0.000 2.042 298 L HA -0.019 4.320 4.340 -0.000 0.000 0.210 298 L C 2.178 179.009 176.870 -0.065 0.000 1.076 298 L CA 1.969 56.768 54.840 -0.069 0.000 0.749 298 L CB -0.858 41.165 42.059 -0.060 0.000 0.893 298 L HN 0.720 nan 8.230 nan 0.000 0.432 299 E N 0.461 120.623 120.200 -0.063 0.000 2.085 299 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 299 E C 1.794 178.359 176.600 -0.057 0.000 0.994 299 E CA 1.731 58.097 56.400 -0.057 0.000 0.801 299 E CB -0.346 29.319 29.700 -0.059 0.000 0.743 299 E HN 0.723 nan 8.360 nan 0.000 0.453 300 E N 0.431 120.591 120.200 -0.067 0.000 2.437 300 E HA 0.232 4.581 4.350 -0.000 0.000 0.189 300 E C 1.640 178.202 176.600 -0.063 0.000 1.054 300 E CA 0.247 56.610 56.400 -0.063 0.000 0.874 300 E CB 0.238 29.896 29.700 -0.071 0.000 1.011 300 E HN 0.143 nan 8.360 nan 0.000 0.474 301 A N 2.008 124.786 122.820 -0.071 0.000 1.915 301 A HA -0.334 3.986 4.320 -0.000 0.000 0.220 301 A C 2.163 179.699 177.584 -0.080 0.000 1.198 301 A CA 2.001 53.986 52.037 -0.087 0.000 0.647 301 A CB -0.522 18.425 19.000 -0.088 0.000 0.825 301 A HN 0.210 nan 8.150 nan 0.000 0.456 302 R N -0.808 119.662 120.500 -0.050 0.000 2.103 302 R HA -0.216 4.123 4.340 -0.000 0.000 0.242 302 R C 2.453 178.748 176.300 -0.009 0.000 1.142 302 R CA 2.111 58.198 56.100 -0.021 0.000 0.960 302 R CB -0.273 30.025 30.300 -0.003 0.000 0.858 302 R HN 0.759 nan 8.270 nan 0.000 0.439 303 Q N -0.741 119.048 119.800 -0.019 0.000 2.137 303 Q HA -0.070 4.269 4.340 -0.000 0.000 0.198 303 Q C 2.151 178.139 176.000 -0.020 0.000 0.960 303 Q CA 1.257 57.054 55.803 -0.009 0.000 0.847 303 Q CB 0.236 28.965 28.738 -0.016 0.000 0.915 303 Q HN 0.194 nan 8.270 nan 0.000 0.448 304 V N 1.352 121.235 119.914 -0.052 0.000 2.282 304 V HA -0.281 3.838 4.120 -0.000 0.000 0.249 304 V C 2.209 178.249 176.094 -0.091 0.000 1.057 304 V CA 1.396 63.653 62.300 -0.072 0.000 1.032 304 V CB -0.489 31.274 31.823 -0.099 0.000 0.645 304 V HN 0.418 nan 8.190 nan 0.000 0.447 305 L N -0.066 121.076 121.223 -0.135 0.000 2.131 305 L HA -0.118 4.222 4.340 -0.000 0.000 0.210 305 L C 2.312 179.199 176.870 0.028 0.000 1.092 305 L CA 1.973 56.675 54.840 -0.231 0.000 0.759 305 L CB -1.170 40.658 42.059 -0.384 0.000 0.903 305 L HN 0.393 nan 8.230 nan 0.000 0.435 306 S N -0.774 114.983 115.700 0.095 0.000 2.603 306 S HA 0.132 4.602 4.470 -0.000 0.000 0.220 306 S C 1.221 175.880 174.600 0.097 0.000 0.967 306 S CA -0.136 58.156 58.200 0.153 0.000 0.920 306 S CB 0.086 63.354 63.200 0.114 0.000 0.773 306 S HN 0.390 nan 8.310 nan 0.000 0.529 307 L N 0.056 121.310 121.223 0.052 0.000 4.291 307 L HA -0.225 4.114 4.340 -0.000 0.000 0.413 307 L C 0.660 177.546 176.870 0.027 0.000 1.162 307 L CA 0.213 55.074 54.840 0.035 0.000 0.961 307 L CB -1.453 40.642 42.059 0.059 0.000 2.095 307 L HN 0.315 nan 8.230 nan 0.000 0.838 308 Q N -0.745 119.067 119.800 0.020 0.000 2.282 308 Q HA 0.516 4.856 4.340 -0.000 0.000 0.206 308 Q C 0.755 176.755 176.000 -0.000 0.000 0.878 308 Q CA 1.029 56.841 55.803 0.014 0.000 0.944 308 Q CB 1.376 30.124 28.738 0.018 0.000 1.100 308 Q HN 0.611 nan 8.270 nan 0.000 0.509 309 A N -1.006 121.807 122.820 -0.011 0.000 2.594 309 A HA 0.789 5.108 4.320 -0.000 0.000 0.291 309 A C 0.082 177.648 177.584 -0.030 0.000 1.105 309 A CA -0.120 51.902 52.037 -0.025 0.000 0.694 309 A CB 1.070 20.046 19.000 -0.040 0.000 1.291 309 A HN 0.236 nan 8.150 nan 0.000 0.410 310 G N -0.579 108.201 108.800 -0.034 0.000 2.741 310 G HA2 0.155 4.115 3.960 -0.000 0.000 0.222 310 G HA3 0.155 4.115 3.960 -0.000 0.000 0.222 310 G C -0.172 174.730 174.900 0.003 0.000 1.364 310 G CA -0.109 44.976 45.100 -0.026 0.000 0.866 310 G HN 1.590 nan 8.290 nan 0.000 0.555 311 T N 0.732 115.288 114.554 0.003 0.000 2.743 311 T HA 0.515 4.864 4.350 -0.000 0.000 0.292 311 T C 0.399 175.095 174.700 -0.006 0.000 0.972 311 T CA -0.242 61.864 62.100 0.010 0.000 0.967 311 T CB 1.455 70.325 68.868 0.004 0.000 0.926 311 T HN 0.887 nan 8.240 nan 0.000 0.459 312 V N 4.875 124.794 119.914 0.008 0.000 2.385 312 V HA 0.218 4.338 4.120 -0.000 0.000 0.269 312 V C 0.322 176.429 176.094 0.021 0.000 1.043 312 V CA -0.682 61.627 62.300 0.014 0.000 0.906 312 V CB 1.136 32.974 31.823 0.025 0.000 0.995 312 V HN 0.662 nan 8.190 nan 0.000 0.467 313 V N 7.457 127.385 119.914 0.024 0.000 2.368 313 V HA 0.365 4.485 4.120 -0.000 0.000 0.266 313 V C 0.313 176.438 176.094 0.051 0.000 1.045 313 V CA -0.103 62.217 62.300 0.033 0.000 0.899 313 V CB 0.798 32.638 31.823 0.028 0.000 1.006 313 V HN 0.813 nan 8.190 nan 0.000 0.470 314 M N 4.451 124.077 119.600 0.044 0.000 2.471 314 M HA 0.504 4.984 4.480 -0.000 0.000 0.309 314 M C -0.160 176.159 176.300 0.032 0.000 1.186 314 M CA -0.681 54.644 55.300 0.042 0.000 1.008 314 M CB 1.526 34.148 32.600 0.036 0.000 1.551 314 M HN 0.392 nan 8.290 nan 0.000 0.477 315 L N 1.379 122.616 121.223 0.023 0.000 2.467 315 L HA 0.429 4.769 4.340 -0.000 0.000 0.270 315 L C 0.659 177.535 176.870 0.009 0.000 1.205 315 L CA 0.814 55.659 54.840 0.008 0.000 0.828 315 L CB 0.455 42.513 42.059 -0.002 0.000 1.101 315 L HN 0.954 nan 8.230 nan 0.000 0.479 316 G N 0.000 108.802 108.800 0.004 0.000 5.446 316 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 316 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 316 G CA 0.000 45.103 45.100 0.005 0.000 0.502 316 G HN 0.000 nan 8.290 nan 0.000 0.925