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 2w78_1_B DATA FIRST_RESID 44 DATA SEQUENCE QEVEFDIPPQ ALGSALQEFG RQADIQVLYR PEEVRNKRSS AIKGKLEPNQ DATA SEQUENCE AITELLRGTG ASVDFQGNAI TISVXXXXXX XXXXXXXXXX XXQLGTITED DATA SEQUENCE SGSYTPGTIA TATRLVLTPR ETPQSITVVT RQNMDDFGLN NIDDVMRHTP DATA SEQUENCE GITVSAYDTD RNNYYARGFS INNFQYDGIP STARNVGYSA GNTLSDMAIY DATA SEQUENCE DRVEVLKGAT GLLTGAGSLG ATINLIRKKP THEFKGHVEL GAGSWDNYRS DATA SEQUENCE ELDVSGPLTE SGNVRGRAVA AYQDKHSFMD HYERKTSVYY GILEFDLNPD DATA SEQUENCE TMLTVGADYQ DNDPKGSGWS GSFPLFDSQG NRNDVSRSFN NGAKWSSWEQ DATA SEQUENCE YTRTVFANLE HNFANGWVGK VQLDHKINGY HAPLGAIMGD WPAPDNSAKI DATA SEQUENCE VAQKYTGETK SNSLDIYLTG PFQFLGREHE LVVGTSASFS HWEGKSYWNL DATA SEQUENCE RNYDNTTDDF INWDGDIGKP DWGTPSQYID DKTRQLGSYM TARFNVTDDL DATA SEQUENCE NLFLGGRVVD YRVTGLNPTI RESGRFIPYV GAVYDLNDTY SVYASYTDIF DATA SEQUENCE MPQDSWYRDS SNKLLEPDEG QNYEIGIKGE YLDGRLNTSL AYFEIHEENR DATA SEQUENCE AEEDALYNSK PTNPAITYAY KGIKAKTKGY EAEISGELAP GWQVQAGYTH DATA SEQUENCE KIIRDDSGKK VSTWEPQDQL SLYTSYKFKG ALDKLTVGGG ARWQGKSWQM DATA SEQUENCE VYNNPRSRWE KFSQEDYWLV DLMARYQITD KLSASVNVNN VFDKTYYTNI DATA SEQUENCE GFYTSASYGD PRNLMFSTRW DF 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 44 Q HA 0.000 nan 4.340 nan 0.000 0.214 44 Q C 0.000 176.014 176.000 0.023 0.000 1.003 44 Q CA 0.000 55.812 55.803 0.015 0.000 1.022 44 Q CB 0.000 28.741 28.738 0.005 0.000 1.108 45 E N 0.618 120.826 120.200 0.014 0.000 2.342 45 E HA 0.601 4.952 4.350 0.003 0.000 0.257 45 E C -0.660 175.921 176.600 -0.032 0.000 1.150 45 E CA -0.366 56.044 56.400 0.017 0.000 0.926 45 E CB 1.493 31.202 29.700 0.016 0.000 1.074 45 E HN 0.265 nan 8.360 nan 0.000 0.449 46 V N 1.082 120.949 119.914 -0.077 0.000 2.969 46 V HA 0.097 4.219 4.120 0.003 0.000 0.304 46 V C -0.664 175.162 176.094 -0.448 0.000 1.192 46 V CA -0.904 61.223 62.300 -0.287 0.000 0.962 46 V CB 2.365 33.936 31.823 -0.419 0.000 1.045 46 V HN 0.503 nan 8.190 nan 0.000 0.428 47 E N 2.035 121.966 120.200 -0.447 0.000 2.289 47 E HA 0.615 4.967 4.350 0.003 0.000 0.278 47 E C -1.490 174.806 176.600 -0.506 0.000 1.032 47 E CA 0.266 56.472 56.400 -0.324 0.000 0.854 47 E CB 0.622 30.216 29.700 -0.176 0.000 1.046 47 E HN 0.333 nan 8.360 nan 0.000 0.409 48 F N 1.600 121.560 119.950 0.016 0.000 2.611 48 F HA 0.456 4.984 4.527 0.001 0.000 0.324 48 F C -0.367 175.455 175.800 0.035 0.000 1.061 48 F CA -0.901 57.116 58.000 0.029 0.000 0.954 48 F CB 2.008 41.048 39.000 0.066 0.000 1.301 48 F HN 0.285 nan 8.300 nan 0.000 0.482 49 D N 1.897 122.484 120.400 0.312 0.000 2.492 49 D HA 0.257 4.899 4.640 0.003 0.000 0.229 49 D C -1.490 174.896 176.300 0.143 0.000 1.345 49 D CA 0.110 54.215 54.000 0.175 0.000 0.912 49 D CB 0.079 40.946 40.800 0.111 0.000 1.526 49 D HN 0.423 nan 8.370 nan 0.000 0.505 50 I N 3.438 124.082 120.570 0.124 0.000 2.555 50 I HA 0.308 4.479 4.170 0.003 0.000 0.275 50 I C -2.213 173.931 176.117 0.046 0.000 1.082 50 I CA -1.825 59.529 61.300 0.090 0.000 1.167 50 I CB 1.429 39.497 38.000 0.113 0.000 1.312 50 I HN -0.028 nan 8.210 nan 0.000 0.493 51 P HA 0.118 nan 4.420 nan 0.000 0.270 51 P C -2.439 174.866 177.300 0.009 0.000 1.223 51 P CA -1.229 61.885 63.100 0.023 0.000 0.785 51 P CB -0.300 31.413 31.700 0.023 0.000 0.923 52 P HA -0.055 nan 4.420 nan 0.000 0.252 52 P C -0.364 176.928 177.300 -0.013 0.000 1.183 52 P CA 0.799 63.892 63.100 -0.011 0.000 0.973 52 P CB -0.412 31.282 31.700 -0.010 0.000 0.990 53 Q N 2.343 122.131 119.800 -0.020 0.000 2.892 53 Q HA 0.765 5.107 4.340 0.003 0.000 0.307 53 Q C -0.805 175.173 176.000 -0.037 0.000 1.039 53 Q CA -1.503 54.287 55.803 -0.021 0.000 0.792 53 Q CB 1.126 29.856 28.738 -0.013 0.000 1.504 53 Q HN 0.182 nan 8.270 nan 0.000 0.487 54 A N 1.000 123.797 122.820 -0.038 0.000 2.546 54 A HA 0.068 4.390 4.320 0.003 0.000 0.243 54 A C 0.758 178.291 177.584 -0.085 0.000 1.063 54 A CA -0.351 51.653 52.037 -0.054 0.000 0.757 54 A CB -0.058 18.916 19.000 -0.044 0.000 0.991 54 A HN 0.747 nan 8.150 nan 0.000 0.503 55 L N 3.855 125.012 121.223 -0.110 0.000 2.081 55 L HA -0.126 4.215 4.340 0.003 0.000 0.212 55 L C 2.261 178.980 176.870 -0.252 0.000 1.080 55 L CA 2.840 57.582 54.840 -0.163 0.000 0.754 55 L CB -0.940 41.020 42.059 -0.166 0.000 0.893 55 L HN 0.832 nan 8.230 nan 0.000 0.433 56 G N -1.710 106.930 108.800 -0.267 0.000 2.484 56 G HA2 -0.265 3.696 3.960 0.003 0.000 0.215 56 G HA3 -0.265 3.696 3.960 0.003 0.000 0.215 56 G C 1.519 176.307 174.900 -0.187 0.000 1.219 56 G CA 0.936 45.818 45.100 -0.364 0.000 0.791 56 G HN 0.504 nan 8.290 nan 0.000 0.550 57 S N 1.580 117.232 115.700 -0.079 0.000 2.370 57 S HA -0.071 4.401 4.470 0.003 0.000 0.226 57 S C 2.765 177.363 174.600 -0.003 0.000 1.033 57 S CA 1.390 59.581 58.200 -0.016 0.000 1.011 57 S CB -0.631 62.565 63.200 -0.007 0.000 0.852 57 S HN 0.652 nan 8.310 nan 0.000 0.457 58 A N 2.149 124.951 122.820 -0.030 0.000 1.869 58 A HA -0.134 4.188 4.320 0.003 0.000 0.218 58 A C 2.178 179.773 177.584 0.017 0.000 1.203 58 A CA 1.699 53.729 52.037 -0.011 0.000 0.638 58 A CB -1.106 17.861 19.000 -0.056 0.000 0.831 58 A HN 0.456 nan 8.150 nan 0.000 0.450 59 L N -1.137 120.044 121.223 -0.070 0.000 2.127 59 L HA -0.272 4.069 4.340 0.003 0.000 0.211 59 L C 2.877 179.833 176.870 0.144 0.000 1.089 59 L CA 1.682 56.506 54.840 -0.028 0.000 0.757 59 L CB -0.420 41.508 42.059 -0.219 0.000 0.899 59 L HN 0.556 nan 8.230 nan 0.000 0.434 60 Q N -0.774 119.099 119.800 0.123 0.000 2.212 60 Q HA -0.197 4.144 4.340 0.003 0.000 0.199 60 Q C 1.985 178.067 176.000 0.136 0.000 0.950 60 Q CA 0.882 56.778 55.803 0.154 0.000 0.863 60 Q CB 0.198 29.014 28.738 0.130 0.000 0.944 60 Q HN 0.426 nan 8.270 nan 0.000 0.465 61 E N -0.123 120.154 120.200 0.129 0.000 2.274 61 E HA -0.154 4.197 4.350 0.003 0.000 0.194 61 E C 1.345 178.067 176.600 0.203 0.000 0.996 61 E CA 0.386 56.867 56.400 0.135 0.000 0.840 61 E CB 0.026 29.792 29.700 0.111 0.000 0.772 61 E HN 0.244 nan 8.360 nan 0.000 0.491 62 F N 0.443 120.445 119.950 0.088 0.000 2.216 62 F HA -0.004 4.524 4.527 0.002 0.000 0.300 62 F C 1.914 177.800 175.800 0.144 0.000 1.085 62 F CA 1.572 59.651 58.000 0.130 0.000 1.326 62 F CB -0.503 38.535 39.000 0.063 0.000 1.027 62 F HN 0.099 nan 8.300 nan 0.000 0.497 63 G N -0.024 108.921 108.800 0.243 0.000 2.511 63 G HA2 -0.281 3.680 3.960 0.003 0.000 0.216 63 G HA3 -0.281 3.680 3.960 0.003 0.000 0.216 63 G C 1.836 176.776 174.900 0.066 0.000 1.218 63 G CA 0.882 46.072 45.100 0.150 0.000 0.788 63 G HN 0.250 nan 8.290 nan 0.000 0.560 64 R N -0.174 120.361 120.500 0.059 0.000 2.113 64 R HA -0.081 4.260 4.340 0.003 0.000 0.231 64 R C 2.867 179.166 176.300 -0.001 0.000 1.129 64 R CA 1.866 57.986 56.100 0.033 0.000 0.915 64 R CB -0.453 29.869 30.300 0.036 0.000 0.837 64 R HN 0.379 nan 8.270 nan 0.000 0.430 65 Q N -1.251 118.546 119.800 -0.005 0.000 2.515 65 Q HA -0.099 4.243 4.340 0.003 0.000 0.215 65 Q C 1.122 177.010 176.000 -0.185 0.000 0.983 65 Q CA 1.156 56.926 55.803 -0.054 0.000 0.905 65 Q CB 0.312 29.084 28.738 0.057 0.000 0.961 65 Q HN 0.395 nan 8.270 nan 0.000 0.503 66 A N -0.558 122.150 122.820 -0.188 0.000 2.312 66 A HA 0.081 4.403 4.320 0.003 0.000 0.215 66 A C 0.473 178.004 177.584 -0.088 0.000 1.256 66 A CA 0.460 52.363 52.037 -0.224 0.000 0.966 66 A CB 0.600 19.373 19.000 -0.377 0.000 1.053 66 A HN 0.336 nan 8.150 nan 0.000 0.510 67 D N -1.919 118.465 120.400 -0.028 0.000 3.059 67 D HA -0.182 4.460 4.640 0.003 0.000 0.220 67 D C -0.213 176.133 176.300 0.076 0.000 1.169 67 D CA 1.086 55.112 54.000 0.044 0.000 0.902 67 D CB -1.514 39.313 40.800 0.045 0.000 1.116 67 D HN 0.488 nan 8.370 nan 0.000 0.417 68 I N 0.731 121.342 120.570 0.069 0.000 2.377 68 I HA 0.330 4.501 4.170 0.003 0.000 0.293 68 I C 0.100 176.311 176.117 0.157 0.000 0.987 68 I CA -0.615 60.762 61.300 0.128 0.000 1.185 68 I CB 1.331 39.433 38.000 0.170 0.000 1.341 68 I HN 0.017 nan 8.210 nan 0.000 0.455 69 Q N 5.758 125.658 119.800 0.166 0.000 2.304 69 Q HA 0.415 4.757 4.340 0.003 0.000 0.260 69 Q C -1.629 174.465 176.000 0.157 0.000 0.965 69 Q CA -0.162 55.739 55.803 0.164 0.000 0.898 69 Q CB 1.086 29.927 28.738 0.173 0.000 1.196 69 Q HN 0.522 nan 8.270 nan 0.000 0.402 70 V N 6.212 126.224 119.914 0.164 0.000 2.398 70 V HA 0.414 4.535 4.120 0.003 0.000 0.286 70 V C -0.284 175.879 176.094 0.116 0.000 1.026 70 V CA -0.717 61.679 62.300 0.159 0.000 0.868 70 V CB 1.182 33.142 31.823 0.229 0.000 0.982 70 V HN 0.747 nan 8.190 nan 0.000 0.443 71 L N 6.579 127.850 121.223 0.080 0.000 2.313 71 L HA 0.721 5.062 4.340 0.003 0.000 0.283 71 L C -0.754 176.164 176.870 0.080 0.000 1.013 71 L CA -0.628 54.219 54.840 0.011 0.000 0.816 71 L CB 1.316 43.389 42.059 0.023 0.000 1.236 71 L HN 0.821 nan 8.230 nan 0.000 0.419 72 Y N 0.676 120.973 120.300 -0.006 0.000 2.638 72 Y HA 0.684 5.235 4.550 0.002 0.000 0.335 72 Y C -1.109 174.786 175.900 -0.008 0.000 1.155 72 Y CA -1.669 56.421 58.100 -0.015 0.000 1.046 72 Y CB 1.291 39.736 38.460 -0.026 0.000 1.303 72 Y HN 0.337 nan 8.280 nan 0.000 0.460 73 R N 2.257 122.875 120.500 0.196 0.000 2.229 73 R HA 0.387 4.729 4.340 0.003 0.000 0.328 73 R C -2.283 174.170 176.300 0.255 0.000 1.009 73 R CA -1.890 54.280 56.100 0.116 0.000 0.864 73 R CB 1.151 31.494 30.300 0.071 0.000 1.085 73 R HN 0.455 nan 8.270 nan 0.000 0.453 74 P HA -0.252 nan 4.420 nan 0.000 0.218 74 P C 0.753 178.128 177.300 0.124 0.000 1.148 74 P CA 1.120 64.373 63.100 0.255 0.000 0.822 74 P CB 0.263 32.062 31.700 0.165 0.000 0.784 75 E N 0.878 121.128 120.200 0.083 0.000 2.038 75 E HA -0.249 4.102 4.350 0.003 0.000 0.195 75 E C 1.721 178.345 176.600 0.040 0.000 1.000 75 E CA 1.516 57.945 56.400 0.048 0.000 0.803 75 E CB -1.137 28.584 29.700 0.035 0.000 0.750 75 E HN 0.302 nan 8.360 nan 0.000 0.448 76 E N 0.466 120.696 120.200 0.049 0.000 2.150 76 E HA -0.107 4.245 4.350 0.003 0.000 0.193 76 E C 2.109 178.714 176.600 0.008 0.000 0.985 76 E CA 1.404 57.821 56.400 0.029 0.000 0.814 76 E CB 0.196 29.917 29.700 0.035 0.000 0.752 76 E HN 0.349 nan 8.360 nan 0.000 0.466 77 V N -0.514 119.403 119.914 0.006 0.000 3.647 77 V HA 0.094 4.215 4.120 0.003 0.000 0.279 77 V C 1.869 177.920 176.094 -0.072 0.000 1.314 77 V CA 0.526 62.786 62.300 -0.066 0.000 1.125 77 V CB -0.134 31.584 31.823 -0.176 0.000 0.907 77 V HN 0.138 nan 8.190 nan 0.000 0.434 78 R N 1.580 122.064 120.500 -0.027 0.000 2.152 78 R HA -0.023 4.319 4.340 0.003 0.000 0.232 78 R C 0.544 176.826 176.300 -0.031 0.000 1.117 78 R CA 2.170 58.257 56.100 -0.021 0.000 0.981 78 R CB -0.690 29.614 30.300 0.005 0.000 0.870 78 R HN 0.630 nan 8.270 nan 0.000 0.451 79 N N 0.428 119.109 118.700 -0.031 0.000 2.696 79 N HA 0.192 4.933 4.740 0.003 0.000 0.308 79 N C -1.531 173.958 175.510 -0.036 0.000 1.915 79 N CA -0.489 52.543 53.050 -0.029 0.000 0.906 79 N CB 1.043 39.519 38.487 -0.019 0.000 1.284 79 N HN 0.037 nan 8.380 nan 0.000 0.488 80 K N 0.650 121.020 120.400 -0.051 0.000 2.395 80 K HA 0.454 4.776 4.320 0.003 0.000 0.247 80 K C -0.682 175.883 176.600 -0.059 0.000 0.973 80 K CA -0.705 55.549 56.287 -0.055 0.000 0.828 80 K CB 2.675 35.133 32.500 -0.069 0.000 1.272 80 K HN 0.130 nan 8.250 nan 0.000 0.439 81 R N 1.056 121.524 120.500 -0.052 0.000 2.393 81 R HA 0.229 4.570 4.340 0.003 0.000 0.310 81 R C 0.044 176.308 176.300 -0.060 0.000 0.968 81 R CA -0.178 55.892 56.100 -0.050 0.000 0.867 81 R CB 1.316 31.594 30.300 -0.036 0.000 1.124 81 R HN 0.844 nan 8.270 nan 0.000 0.450 82 S N 2.440 118.101 115.700 -0.064 0.000 2.624 82 S HA 0.299 4.770 4.470 0.003 0.000 0.263 82 S C -0.293 174.275 174.600 -0.053 0.000 1.287 82 S CA -0.542 57.615 58.200 -0.072 0.000 0.990 82 S CB 1.161 64.315 63.200 -0.077 0.000 0.950 82 S HN 0.630 nan 8.310 nan 0.000 0.561 83 S N 0.898 116.564 115.700 -0.057 0.000 2.578 83 S HA 0.756 5.227 4.470 0.003 0.000 0.301 83 S C -0.091 174.489 174.600 -0.033 0.000 1.091 83 S CA -0.665 57.511 58.200 -0.040 0.000 1.032 83 S CB 1.179 64.356 63.200 -0.038 0.000 1.064 83 S HN 1.279 nan 8.310 nan 0.000 0.508 84 A N 1.996 124.806 122.820 -0.017 0.000 2.553 84 A HA 0.396 4.718 4.320 0.003 0.000 0.258 84 A C 0.246 177.827 177.584 -0.006 0.000 1.069 84 A CA -0.242 51.792 52.037 -0.003 0.000 0.767 84 A CB -1.227 17.776 19.000 0.006 0.000 0.997 84 A HN 0.920 nan 8.150 nan 0.000 0.512 85 I N 0.077 120.646 120.570 -0.002 0.000 2.530 85 I HA 0.941 5.113 4.170 0.003 0.000 0.297 85 I C -0.501 175.656 176.117 0.066 0.000 1.011 85 I CA -1.022 60.281 61.300 0.004 0.000 1.107 85 I CB 2.125 40.081 38.000 -0.074 0.000 1.285 85 I HN 0.560 nan 8.210 nan 0.000 0.436 86 K N 3.683 124.141 120.400 0.096 0.000 2.597 86 K HA 0.731 5.052 4.320 0.003 0.000 0.282 86 K C -0.286 176.394 176.600 0.133 0.000 0.975 86 K CA 0.247 56.609 56.287 0.124 0.000 0.867 86 K CB 1.797 34.345 32.500 0.080 0.000 1.465 86 K HN 1.503 nan 8.250 nan 0.000 0.417 87 G N 2.033 110.910 108.800 0.129 0.000 2.750 87 G HA2 -0.225 3.737 3.960 0.003 0.000 0.228 87 G HA3 -0.225 3.737 3.960 0.003 0.000 0.228 87 G C -1.230 173.760 174.900 0.150 0.000 1.367 87 G CA -0.037 45.128 45.100 0.109 0.000 0.871 87 G HN 0.672 nan 8.290 nan 0.000 0.560 88 K N 0.496 120.959 120.400 0.105 0.000 2.315 88 K HA 0.454 4.776 4.320 0.003 0.000 0.291 88 K C 0.140 176.836 176.600 0.159 0.000 1.074 88 K CA -0.119 56.227 56.287 0.098 0.000 0.936 88 K CB -0.421 32.108 32.500 0.050 0.000 1.049 88 K HN 0.436 nan 8.250 nan 0.000 0.471 89 L N 2.559 123.952 121.223 0.284 0.000 2.323 89 L HA 0.359 4.701 4.340 0.003 0.000 0.265 89 L C 0.288 177.333 176.870 0.290 0.000 1.012 89 L CA -1.221 53.789 54.840 0.283 0.000 0.820 89 L CB 1.721 43.954 42.059 0.290 0.000 1.334 89 L HN 0.522 nan 8.230 nan 0.000 0.427 90 E N 2.903 123.224 120.200 0.201 0.000 2.480 90 E HA -0.001 4.350 4.350 0.003 0.000 0.258 90 E C -1.608 175.168 176.600 0.295 0.000 0.984 90 E CA -1.230 55.280 56.400 0.184 0.000 0.930 90 E CB 0.954 30.718 29.700 0.106 0.000 0.936 90 E HN 0.299 nan 8.360 nan 0.000 0.466 91 P HA -0.178 nan 4.420 nan 0.000 0.223 91 P C 0.700 178.293 177.300 0.488 0.000 1.144 91 P CA 1.179 64.582 63.100 0.505 0.000 0.783 91 P CB 0.327 32.243 31.700 0.360 0.000 0.771 92 N N -0.036 118.840 118.700 0.293 0.000 2.387 92 N HA -0.088 4.653 4.740 0.003 0.000 0.176 92 N C 1.839 177.453 175.510 0.173 0.000 1.022 92 N CA 0.482 53.688 53.050 0.260 0.000 0.883 92 N CB -1.098 37.319 38.487 -0.116 0.000 1.019 92 N HN 0.129 nan 8.380 nan 0.000 0.435 93 Q N 0.222 120.092 119.800 0.117 0.000 2.291 93 Q HA 0.029 4.370 4.340 0.003 0.000 0.206 93 Q C 1.628 177.651 176.000 0.038 0.000 0.976 93 Q CA 1.235 57.081 55.803 0.072 0.000 0.875 93 Q CB -0.002 28.776 28.738 0.067 0.000 0.927 93 Q HN 0.559 nan 8.270 nan 0.000 0.450 94 A N 0.573 123.419 122.820 0.043 0.000 1.850 94 A HA -0.120 4.201 4.320 0.003 0.000 0.212 94 A C 1.871 179.329 177.584 -0.211 0.000 1.208 94 A CA 0.846 52.803 52.037 -0.134 0.000 0.609 94 A CB -0.591 18.124 19.000 -0.475 0.000 0.860 94 A HN 0.426 nan 8.150 nan 0.000 0.448 95 I N -0.201 120.207 120.570 -0.270 0.000 2.315 95 I HA -0.192 3.980 4.170 0.003 0.000 0.251 95 I C 2.277 178.232 176.117 -0.271 0.000 1.125 95 I CA 2.357 63.306 61.300 -0.584 0.000 1.392 95 I CB -0.568 37.041 38.000 -0.651 0.000 1.065 95 I HN 0.296 nan 8.210 nan 0.000 0.424 96 T N 0.023 114.518 114.554 -0.098 0.000 2.821 96 T HA -0.109 4.243 4.350 0.003 0.000 0.267 96 T C 1.777 176.434 174.700 -0.072 0.000 1.046 96 T CA 1.472 63.545 62.100 -0.046 0.000 1.139 96 T CB -0.097 68.783 68.868 0.020 0.000 0.871 96 T HN 0.392 nan 8.240 nan 0.000 0.454 97 E N 0.531 120.680 120.200 -0.085 0.000 2.276 97 E HA 0.130 4.482 4.350 0.003 0.000 0.193 97 E C 2.121 178.662 176.600 -0.098 0.000 0.983 97 E CA 0.078 56.434 56.400 -0.073 0.000 0.861 97 E CB -0.171 29.500 29.700 -0.048 0.000 0.817 97 E HN 0.446 nan 8.360 nan 0.000 0.485 98 L N 0.382 121.513 121.223 -0.153 0.000 2.191 98 L HA -0.072 4.269 4.340 0.003 0.000 0.212 98 L C 1.722 178.506 176.870 -0.143 0.000 1.103 98 L CA 0.965 55.710 54.840 -0.159 0.000 0.769 98 L CB 0.044 41.957 42.059 -0.243 0.000 0.908 98 L HN 0.061 nan 8.230 nan 0.000 0.438 99 L N -0.503 120.633 121.223 -0.146 0.000 2.640 99 L HA 0.163 4.504 4.340 0.003 0.000 0.230 99 L C 0.992 177.814 176.870 -0.081 0.000 1.123 99 L CA -0.346 54.420 54.840 -0.122 0.000 0.900 99 L CB -0.146 41.831 42.059 -0.136 0.000 1.146 99 L HN 0.112 nan 8.230 nan 0.000 0.484 100 R N 0.858 121.317 120.500 -0.067 0.000 2.522 100 R HA 0.117 4.458 4.340 0.003 0.000 0.284 100 R C 1.065 177.341 176.300 -0.041 0.000 1.032 100 R CA 1.135 57.207 56.100 -0.046 0.000 1.049 100 R CB 0.404 30.683 30.300 -0.036 0.000 0.956 100 R HN 0.350 nan 8.270 nan 0.000 0.422 101 G N 2.311 111.091 108.800 -0.033 0.000 2.184 101 G HA2 -0.364 3.597 3.960 0.003 0.000 0.264 101 G HA3 -0.364 3.597 3.960 0.003 0.000 0.264 101 G C 0.778 175.657 174.900 -0.035 0.000 0.975 101 G CA 0.904 45.986 45.100 -0.030 0.000 0.642 101 G HN 0.712 nan 8.290 nan 0.000 0.536 102 T N -1.934 112.593 114.554 -0.044 0.000 3.088 102 T HA 0.402 4.754 4.350 0.003 0.000 0.259 102 T C 2.403 177.080 174.700 -0.039 0.000 1.122 102 T CA 1.549 63.620 62.100 -0.049 0.000 1.095 102 T CB 0.067 68.894 68.868 -0.069 0.000 0.930 102 T HN 2.219 nan 8.240 nan 0.000 0.508 103 G N 1.010 109.790 108.800 -0.033 0.000 2.160 103 G HA2 0.032 3.993 3.960 0.003 0.000 0.251 103 G HA3 0.032 3.993 3.960 0.003 0.000 0.251 103 G C 0.114 174.999 174.900 -0.025 0.000 1.008 103 G CA -0.064 45.021 45.100 -0.024 0.000 0.724 103 G HN 1.274 nan 8.290 nan 0.000 0.514 104 A N -0.304 122.495 122.820 -0.035 0.000 2.342 104 A HA 0.929 5.250 4.320 0.003 0.000 0.323 104 A C 0.288 177.849 177.584 -0.038 0.000 1.125 104 A CA 0.541 52.555 52.037 -0.038 0.000 0.785 104 A CB 1.476 20.442 19.000 -0.056 0.000 1.221 104 A HN 1.721 nan 8.150 nan 0.000 0.463 105 S N 0.259 115.942 115.700 -0.028 0.000 2.621 105 S HA 0.738 5.209 4.470 0.003 0.000 0.302 105 S C -0.615 173.964 174.600 -0.035 0.000 1.093 105 S CA -0.686 57.503 58.200 -0.020 0.000 1.017 105 S CB 1.568 64.769 63.200 0.001 0.000 1.077 105 S HN 0.981 nan 8.310 nan 0.000 0.517 106 V N 1.454 121.353 119.914 -0.026 0.000 2.289 106 V HA 0.339 4.461 4.120 0.003 0.000 0.272 106 V C -0.804 175.263 176.094 -0.046 0.000 1.026 106 V CA -0.795 61.451 62.300 -0.091 0.000 0.807 106 V CB 0.557 32.289 31.823 -0.151 0.000 1.044 106 V HN 0.835 nan 8.190 nan 0.000 0.443 107 D N 3.493 123.863 120.400 -0.050 0.000 2.358 107 D HA 0.210 4.852 4.640 0.003 0.000 0.258 107 D C -0.017 176.250 176.300 -0.055 0.000 1.223 107 D CA 0.218 54.224 54.000 0.009 0.000 0.886 107 D CB 0.824 41.630 40.800 0.011 0.000 1.120 107 D HN 0.426 nan 8.370 nan 0.000 0.482 108 F N 2.350 122.316 119.950 0.027 0.000 2.752 108 F HA 0.125 4.653 4.527 0.002 0.000 0.332 108 F C 1.260 177.076 175.800 0.026 0.000 1.188 108 F CA -0.150 57.873 58.000 0.039 0.000 1.296 108 F CB 0.073 39.100 39.000 0.045 0.000 1.526 108 F HN 0.106 nan 8.300 nan 0.000 0.576 109 Q N 0.003 119.867 119.800 0.107 0.000 2.257 109 Q HA 0.591 4.932 4.340 0.003 0.000 0.262 109 Q C 0.698 176.701 176.000 0.004 0.000 0.997 109 Q CA 0.085 55.921 55.803 0.055 0.000 0.873 109 Q CB 2.022 30.772 28.738 0.019 0.000 1.312 109 Q HN 0.607 nan 8.270 nan 0.000 0.450 110 G N 2.323 111.112 108.800 -0.019 0.000 2.528 110 G HA2 -0.289 3.672 3.960 0.003 0.000 0.262 110 G HA3 -0.289 3.672 3.960 0.003 0.000 0.262 110 G C 0.078 175.001 174.900 0.039 0.000 1.200 110 G CA 0.123 45.197 45.100 -0.044 0.000 0.951 110 G HN 0.739 nan 8.290 nan 0.000 0.566 111 N N 1.653 120.389 118.700 0.061 0.000 2.187 111 N HA 0.460 5.201 4.740 0.003 0.000 0.212 111 N C 0.420 176.001 175.510 0.119 0.000 1.152 111 N CA 0.808 53.917 53.050 0.100 0.000 0.872 111 N CB 1.077 39.621 38.487 0.096 0.000 1.025 111 N HN 1.016 nan 8.380 nan 0.000 0.514 112 A N 1.097 123.978 122.820 0.102 0.000 2.331 112 A HA 0.587 4.909 4.320 0.003 0.000 0.320 112 A C 0.119 177.718 177.584 0.024 0.000 1.138 112 A CA -0.756 51.338 52.037 0.094 0.000 0.790 112 A CB 0.722 19.794 19.000 0.121 0.000 1.206 112 A HN 0.264 nan 8.150 nan 0.000 0.470 113 I N 1.196 121.744 120.570 -0.037 0.000 2.556 113 I HA 0.514 4.686 4.170 0.003 0.000 0.284 113 I C 0.453 176.492 176.117 -0.130 0.000 1.114 113 I CA 0.209 61.360 61.300 -0.247 0.000 1.418 113 I CB 0.895 38.615 38.000 -0.466 0.000 1.394 113 I HN 0.558 nan 8.210 nan 0.000 0.552 114 T N 5.761 120.235 114.554 -0.134 0.000 2.859 114 T HA 0.625 4.977 4.350 0.003 0.000 0.281 114 T C -0.238 174.420 174.700 -0.069 0.000 1.005 114 T CA -0.827 61.242 62.100 -0.051 0.000 1.025 114 T CB 1.369 70.234 68.868 -0.006 0.000 0.977 114 T HN 0.519 nan 8.240 nan 0.000 0.458 115 I N 4.265 124.826 120.570 -0.015 0.000 2.359 115 I HA 0.316 4.488 4.170 0.003 0.000 0.284 115 I C 0.527 176.652 176.117 0.013 0.000 1.018 115 I CA -0.580 60.707 61.300 -0.022 0.000 1.173 115 I CB 0.741 38.729 38.000 -0.021 0.000 1.326 115 I HN 0.901 nan 8.210 nan 0.000 0.462 116 S N 5.429 121.128 115.700 -0.002 0.000 2.747 116 S HA 0.826 5.297 4.470 0.003 0.000 0.300 116 S C -0.094 174.505 174.600 -0.002 0.000 1.121 116 S CA -0.709 57.496 58.200 0.008 0.000 0.995 116 S CB 2.655 65.862 63.200 0.012 0.000 1.113 116 S HN 0.248 nan 8.310 nan 0.000 0.547 137 L N 1.206 122.471 121.223 0.071 0.000 2.653 137 L HA 0.442 4.784 4.340 0.003 0.000 0.232 137 L C 0.928 177.812 176.870 0.024 0.000 1.169 137 L CA 0.718 55.584 54.840 0.043 0.000 0.951 137 L CB 0.517 42.605 42.059 0.048 0.000 1.181 137 L HN 0.372 nan 8.230 nan 0.000 0.460 138 G N -0.528 108.289 108.800 0.028 0.000 2.306 138 G HA2 -0.100 3.862 3.960 0.003 0.000 0.262 138 G HA3 -0.100 3.862 3.960 0.003 0.000 0.262 138 G C -0.468 174.449 174.900 0.028 0.000 1.263 138 G CA -0.361 44.751 45.100 0.019 0.000 1.088 138 G HN 0.034 nan 8.290 nan 0.000 0.489 139 T N -0.517 114.052 114.554 0.025 0.000 2.756 139 T HA 0.670 5.021 4.350 0.003 0.000 0.290 139 T C 0.755 175.476 174.700 0.035 0.000 0.985 139 T CA -0.401 61.718 62.100 0.031 0.000 0.955 139 T CB 0.816 69.701 68.868 0.027 0.000 0.930 139 T HN 0.829 nan 8.240 nan 0.000 0.451 140 I N 3.839 124.434 120.570 0.043 0.000 3.087 140 I HA -0.105 4.067 4.170 0.003 0.000 0.318 140 I C 2.026 178.170 176.117 0.045 0.000 1.209 140 I CA 0.586 61.915 61.300 0.048 0.000 1.460 140 I CB 0.527 38.562 38.000 0.058 0.000 1.306 140 I HN 0.965 nan 8.210 nan 0.000 0.560 141 T N 0.812 115.392 114.554 0.045 0.000 3.023 141 T HA 0.025 4.377 4.350 0.003 0.000 0.249 141 T C 0.715 175.445 174.700 0.050 0.000 1.050 141 T CA -0.322 61.805 62.100 0.046 0.000 1.088 141 T CB -0.060 68.831 68.868 0.038 0.000 0.946 141 T HN 0.684 nan 8.240 nan 0.000 0.480 142 E N 1.612 121.841 120.200 0.047 0.000 2.452 142 E HA -0.024 4.328 4.350 0.003 0.000 0.261 142 E C -0.138 176.488 176.600 0.042 0.000 0.987 142 E CA 0.432 56.858 56.400 0.043 0.000 0.926 142 E CB 0.097 29.826 29.700 0.047 0.000 0.934 142 E HN 0.205 nan 8.360 nan 0.000 0.452 143 D N 1.344 121.766 120.400 0.035 0.000 2.229 143 D HA -0.268 4.374 4.640 0.003 0.000 0.162 143 D C 1.172 177.496 176.300 0.040 0.000 1.436 143 D CA 1.937 55.957 54.000 0.034 0.000 1.324 143 D CB -1.573 39.248 40.800 0.036 0.000 1.258 143 D HN 0.528 nan 8.370 nan 0.000 0.477 144 S N -0.193 115.535 115.700 0.047 0.000 2.474 144 S HA 0.166 4.638 4.470 0.003 0.000 0.235 144 S C 2.004 176.638 174.600 0.057 0.000 0.997 144 S CA 2.126 60.356 58.200 0.050 0.000 0.949 144 S CB 0.099 63.330 63.200 0.052 0.000 0.766 144 S HN 1.247 nan 8.310 nan 0.000 0.517 145 G N 0.462 109.303 108.800 0.069 0.000 2.189 145 G HA2 -0.313 3.649 3.960 0.003 0.000 0.267 145 G HA3 -0.313 3.649 3.960 0.003 0.000 0.267 145 G C 0.266 175.249 174.900 0.139 0.000 0.975 145 G CA 0.594 45.748 45.100 0.089 0.000 0.644 145 G HN 0.874 nan 8.290 nan 0.000 0.537 146 S N -1.219 114.563 115.700 0.138 0.000 2.617 146 S HA 0.593 5.064 4.470 0.003 0.000 0.269 146 S C 0.841 175.643 174.600 0.337 0.000 1.292 146 S CA -0.414 57.891 58.200 0.175 0.000 1.010 146 S CB 0.482 63.748 63.200 0.110 0.000 0.944 146 S HN 0.256 nan 8.310 nan 0.000 0.536 147 Y N 1.341 121.669 120.300 0.047 0.000 2.468 147 Y HA 0.310 4.861 4.550 0.002 0.000 0.268 147 Y C 1.251 177.170 175.900 0.030 0.000 1.177 147 Y CA -0.167 57.963 58.100 0.050 0.000 1.265 147 Y CB -0.028 38.474 38.460 0.070 0.000 1.103 147 Y HN 0.470 nan 8.280 nan 0.000 0.522 148 T N 2.004 116.658 114.554 0.166 0.000 2.893 148 T HA 0.438 4.790 4.350 0.003 0.000 0.291 148 T C -2.726 172.010 174.700 0.059 0.000 1.028 148 T CA -2.199 59.956 62.100 0.091 0.000 0.995 148 T CB 1.454 70.367 68.868 0.076 0.000 1.051 148 T HN -0.222 nan 8.240 nan 0.000 0.470 149 P HA 0.228 nan 4.420 nan 0.000 0.270 149 P C 0.687 178.000 177.300 0.022 0.000 1.223 149 P CA -0.108 63.004 63.100 0.020 0.000 0.785 149 P CB 0.514 32.214 31.700 -0.000 0.000 0.923 150 G N 0.937 109.749 108.800 0.020 0.000 2.473 150 G HA2 0.097 4.059 3.960 0.003 0.000 0.212 150 G HA3 0.097 4.059 3.960 0.003 0.000 0.212 150 G C 0.082 174.987 174.900 0.008 0.000 1.211 150 G CA 0.784 45.895 45.100 0.018 0.000 0.813 150 G HN 0.727 nan 8.290 nan 0.000 0.541 151 T N -1.045 113.512 114.554 0.005 0.000 2.896 151 T HA 0.678 5.029 4.350 0.003 0.000 0.297 151 T C -0.607 174.085 174.700 -0.013 0.000 1.108 151 T CA -0.826 61.272 62.100 -0.004 0.000 1.004 151 T CB 2.305 71.174 68.868 0.002 0.000 1.159 151 T HN 0.446 nan 8.240 nan 0.000 0.499 152 I N -1.128 119.426 120.570 -0.027 0.000 2.689 152 I HA 0.808 4.979 4.170 0.003 0.000 0.299 152 I C 0.053 176.141 176.117 -0.048 0.000 1.059 152 I CA -1.715 59.560 61.300 -0.042 0.000 1.055 152 I CB 2.051 40.015 38.000 -0.061 0.000 1.243 152 I HN 0.877 nan 8.210 nan 0.000 0.425 153 A N 2.497 125.283 122.820 -0.057 0.000 2.610 153 A HA 0.317 4.639 4.320 0.003 0.000 0.291 153 A C 0.936 178.451 177.584 -0.114 0.000 1.116 153 A CA -0.120 51.874 52.037 -0.072 0.000 0.963 153 A CB -0.303 18.669 19.000 -0.047 0.000 1.220 153 A HN 0.802 nan 8.150 nan 0.000 0.530 154 T N -1.342 113.141 114.554 -0.118 0.000 3.044 154 T HA 0.285 4.637 4.350 0.003 0.000 0.250 154 T C 1.944 176.542 174.700 -0.170 0.000 1.081 154 T CA 0.791 62.803 62.100 -0.146 0.000 1.040 154 T CB 0.316 69.104 68.868 -0.133 0.000 0.962 154 T HN 0.451 nan 8.240 nan 0.000 0.506 155 A N 2.593 125.318 122.820 -0.158 0.000 1.841 155 A HA -0.002 4.320 4.320 0.003 0.000 0.214 155 A C 2.328 179.764 177.584 -0.247 0.000 1.195 155 A CA 1.855 53.795 52.037 -0.161 0.000 0.611 155 A CB -0.809 18.103 19.000 -0.147 0.000 0.835 155 A HN 0.553 nan 8.150 nan 0.000 0.443 156 T N -6.403 107.994 114.554 -0.261 0.000 3.275 156 T HA 0.464 4.815 4.350 0.003 0.000 0.298 156 T C 0.568 175.113 174.700 -0.259 0.000 0.988 156 T CA 0.500 62.408 62.100 -0.320 0.000 0.936 156 T CB 0.369 69.070 68.868 -0.279 0.000 1.159 156 T HN 0.413 nan 8.240 nan 0.000 0.519 157 R N -0.698 119.643 120.500 -0.265 0.000 3.961 157 R HA -0.125 4.217 4.340 0.003 0.000 0.457 157 R C -0.185 176.013 176.300 -0.170 0.000 0.854 157 R CA 1.271 57.195 56.100 -0.293 0.000 1.601 157 R CB -2.201 27.811 30.300 -0.480 0.000 2.259 157 R HN 0.581 nan 8.270 nan 0.000 0.486 158 L N 0.952 122.107 121.223 -0.113 0.000 2.380 158 L HA 0.188 4.530 4.340 0.003 0.000 0.273 158 L C 0.434 177.285 176.870 -0.033 0.000 1.138 158 L CA -0.377 54.432 54.840 -0.052 0.000 0.832 158 L CB 1.026 43.089 42.059 0.006 0.000 1.124 158 L HN -0.162 nan 8.230 nan 0.000 0.454 159 V N 6.092 125.995 119.914 -0.018 0.000 2.352 159 V HA 0.170 4.292 4.120 0.003 0.000 0.253 159 V C 0.276 176.372 176.094 0.004 0.000 1.083 159 V CA 0.200 62.496 62.300 -0.006 0.000 0.993 159 V CB -0.162 31.664 31.823 0.004 0.000 1.111 159 V HN 0.442 nan 8.190 nan 0.000 0.490 160 L N 3.897 125.122 121.223 0.004 0.000 2.333 160 L HA 0.684 5.026 4.340 0.003 0.000 0.263 160 L C 0.616 177.484 176.870 -0.003 0.000 1.014 160 L CA -0.818 54.033 54.840 0.017 0.000 0.820 160 L CB 2.203 44.291 42.059 0.049 0.000 1.352 160 L HN 0.530 nan 8.230 nan 0.000 0.421 161 T N -2.871 111.682 114.554 -0.001 0.000 2.813 161 T HA 0.228 4.580 4.350 0.003 0.000 0.297 161 T C -1.990 172.691 174.700 -0.032 0.000 1.036 161 T CA -1.363 60.729 62.100 -0.013 0.000 1.044 161 T CB 0.953 69.815 68.868 -0.010 0.000 0.993 161 T HN 0.369 nan 8.240 nan 0.000 0.535 162 P HA -0.113 nan 4.420 nan 0.000 0.216 162 P C 1.731 178.976 177.300 -0.092 0.000 1.150 162 P CA 0.934 63.993 63.100 -0.068 0.000 0.843 162 P CB 0.012 31.685 31.700 -0.045 0.000 0.787 163 R N 0.478 120.943 120.500 -0.058 0.000 2.081 163 R HA -0.161 4.180 4.340 0.003 0.000 0.235 163 R C 1.760 178.035 176.300 -0.041 0.000 1.131 163 R CA 1.685 57.754 56.100 -0.052 0.000 0.960 163 R CB -0.331 29.947 30.300 -0.037 0.000 0.856 163 R HN 0.256 nan 8.270 nan 0.000 0.436 164 E N -0.554 119.640 120.200 -0.010 0.000 2.358 164 E HA -0.012 4.339 4.350 0.003 0.000 0.195 164 E C -0.034 176.571 176.600 0.008 0.000 1.010 164 E CA 0.473 56.906 56.400 0.055 0.000 0.856 164 E CB 0.237 29.995 29.700 0.097 0.000 0.795 164 E HN 0.119 nan 8.360 nan 0.000 0.504 165 T N 3.810 118.299 114.554 -0.109 0.000 2.752 165 T HA 0.090 4.442 4.350 0.003 0.000 0.295 165 T C -2.097 172.378 174.700 -0.375 0.000 0.923 165 T CA -1.171 60.795 62.100 -0.224 0.000 1.112 165 T CB 1.060 69.815 68.868 -0.188 0.000 0.884 165 T HN 0.015 nan 8.240 nan 0.000 0.525 166 P HA 0.213 nan 4.420 nan 0.000 0.220 166 P C -0.482 176.679 177.300 -0.233 0.000 1.793 166 P CA -0.086 62.812 63.100 -0.336 0.000 0.917 166 P CB 0.193 31.812 31.700 -0.134 0.000 1.755 167 Q N -0.665 118.884 119.800 -0.419 0.000 2.386 167 Q HA 0.302 4.644 4.340 0.003 0.000 0.274 167 Q C -0.973 174.920 176.000 -0.179 0.000 1.011 167 Q CA -0.492 55.219 55.803 -0.152 0.000 0.867 167 Q CB 1.856 30.510 28.738 -0.140 0.000 1.409 167 Q HN -0.176 nan 8.270 nan 0.000 0.395 168 S N 2.464 118.137 115.700 -0.045 0.000 2.571 168 S HA 0.254 4.725 4.470 0.003 0.000 0.297 168 S C -0.543 173.995 174.600 -0.105 0.000 1.234 168 S CA 0.186 58.354 58.200 -0.053 0.000 1.120 168 S CB -0.320 62.843 63.200 -0.061 0.000 0.923 168 S HN 0.385 nan 8.310 nan 0.000 0.504 169 I N 4.272 124.782 120.570 -0.101 0.000 2.619 169 I HA 0.489 4.660 4.170 0.003 0.000 0.292 169 I C -0.660 175.409 176.117 -0.081 0.000 1.100 169 I CA 0.136 61.373 61.300 -0.105 0.000 1.043 169 I CB 2.347 40.278 38.000 -0.115 0.000 1.239 169 I HN 0.416 nan 8.210 nan 0.000 0.420 170 T N 6.236 120.738 114.554 -0.087 0.000 2.848 170 T HA 0.680 5.031 4.350 0.003 0.000 0.285 170 T C -1.129 173.526 174.700 -0.076 0.000 0.995 170 T CA -0.436 61.624 62.100 -0.067 0.000 0.970 170 T CB 1.608 70.435 68.868 -0.068 0.000 0.976 170 T HN 0.341 nan 8.240 nan 0.000 0.441 171 V N 3.269 123.149 119.914 -0.056 0.000 2.628 171 V HA 0.517 4.639 4.120 0.003 0.000 0.306 171 V C -0.244 175.811 176.094 -0.065 0.000 1.045 171 V CA -0.848 61.414 62.300 -0.063 0.000 0.905 171 V CB 2.130 33.925 31.823 -0.047 0.000 0.997 171 V HN 0.686 nan 8.190 nan 0.000 0.436 172 V N 3.843 123.703 119.914 -0.089 0.000 2.348 172 V HA 0.341 4.463 4.120 0.003 0.000 0.270 172 V C 0.688 176.724 176.094 -0.096 0.000 1.037 172 V CA -0.338 61.894 62.300 -0.112 0.000 0.872 172 V CB 1.494 33.235 31.823 -0.137 0.000 1.002 172 V HN 1.082 nan 8.190 nan 0.000 0.464 173 T N 2.226 116.723 114.554 -0.095 0.000 2.904 173 T HA 0.284 4.636 4.350 0.003 0.000 0.290 173 T C 1.140 175.801 174.700 -0.064 0.000 1.018 173 T CA -0.481 61.587 62.100 -0.053 0.000 1.075 173 T CB 1.288 70.152 68.868 -0.007 0.000 0.986 173 T HN 0.489 nan 8.240 nan 0.000 0.523 174 R N 0.954 121.445 120.500 -0.016 0.000 2.119 174 R HA -0.192 4.150 4.340 0.003 0.000 0.246 174 R C 2.396 178.686 176.300 -0.017 0.000 1.146 174 R CA 2.170 58.267 56.100 -0.005 0.000 0.962 174 R CB -1.031 29.283 30.300 0.023 0.000 0.863 174 R HN 0.805 nan 8.270 nan 0.000 0.442 175 Q N -0.010 119.794 119.800 0.006 0.000 2.119 175 Q HA -0.115 4.227 4.340 0.003 0.000 0.201 175 Q C 1.689 177.677 176.000 -0.020 0.000 0.972 175 Q CA 2.266 58.098 55.803 0.048 0.000 0.847 175 Q CB -0.421 28.421 28.738 0.172 0.000 0.903 175 Q HN 0.631 nan 8.270 nan 0.000 0.433 176 N N -1.298 117.251 118.700 -0.252 0.000 2.058 176 N HA -0.193 4.549 4.740 0.003 0.000 0.191 176 N C 1.780 177.218 175.510 -0.119 0.000 1.037 176 N CA 1.445 54.225 53.050 -0.449 0.000 0.848 176 N CB -0.125 37.967 38.487 -0.659 0.000 1.021 176 N HN 0.240 nan 8.380 nan 0.000 0.422 177 M N 0.566 120.088 119.600 -0.130 0.000 2.124 177 M HA -0.268 4.214 4.480 0.003 0.000 0.253 177 M C 1.194 177.469 176.300 -0.042 0.000 1.077 177 M CA 1.871 57.119 55.300 -0.086 0.000 1.085 177 M CB -0.174 32.389 32.600 -0.061 0.000 1.320 177 M HN 0.277 nan 8.290 nan 0.000 0.404 178 D N -0.101 120.280 120.400 -0.032 0.000 2.084 178 D HA -0.136 4.505 4.640 0.003 0.000 0.199 178 D C 1.588 177.860 176.300 -0.046 0.000 0.981 178 D CA 1.346 55.322 54.000 -0.038 0.000 0.841 178 D CB -0.729 40.041 40.800 -0.050 0.000 0.997 178 D HN 0.279 nan 8.370 nan 0.000 0.454 179 D N -0.493 119.888 120.400 -0.031 0.000 2.220 179 D HA -0.179 4.463 4.640 0.003 0.000 0.198 179 D C 1.294 177.362 176.300 -0.387 0.000 1.001 179 D CA 0.913 54.825 54.000 -0.146 0.000 0.875 179 D CB -0.215 40.577 40.800 -0.013 0.000 0.921 179 D HN 0.270 nan 8.370 nan 0.000 0.454 180 F N -1.101 118.799 119.950 -0.084 0.000 2.682 180 F HA 0.307 4.836 4.527 0.003 0.000 0.308 180 F C 1.551 177.251 175.800 -0.167 0.000 1.093 180 F CA 0.039 57.961 58.000 -0.129 0.000 1.244 180 F CB 0.635 39.492 39.000 -0.238 0.000 1.052 180 F HN -0.081 nan 8.300 nan 0.000 0.573 181 G N 2.104 110.890 108.800 -0.024 0.000 2.366 181 G HA2 -0.311 3.651 3.960 0.003 0.000 0.299 181 G HA3 -0.311 3.651 3.960 0.003 0.000 0.299 181 G C 0.079 174.945 174.900 -0.058 0.000 1.020 181 G CA -0.166 44.913 45.100 -0.037 0.000 1.026 181 G HN 0.335 nan 8.290 nan 0.000 0.512 182 L N -0.513 120.649 121.223 -0.102 0.000 2.407 182 L HA 0.245 4.587 4.340 0.003 0.000 0.282 182 L C 1.297 178.130 176.870 -0.062 0.000 1.110 182 L CA -0.078 54.675 54.840 -0.145 0.000 0.863 182 L CB 0.255 42.174 42.059 -0.233 0.000 1.207 182 L HN 0.251 nan 8.230 nan 0.000 0.454 183 N N 1.486 120.168 118.700 -0.030 0.000 2.322 183 N HA -0.007 4.735 4.740 0.003 0.000 0.181 183 N C 0.025 175.550 175.510 0.026 0.000 1.088 183 N CA -0.062 52.993 53.050 0.008 0.000 0.885 183 N CB 0.398 38.897 38.487 0.021 0.000 1.013 183 N HN 0.684 nan 8.380 nan 0.000 0.472 184 N N -0.527 118.181 118.700 0.014 0.000 2.831 184 N HA 0.106 4.848 4.740 0.003 0.000 0.276 184 N C 0.304 175.813 175.510 -0.001 0.000 1.416 184 N CA -0.703 52.363 53.050 0.028 0.000 0.799 184 N CB 0.536 39.048 38.487 0.041 0.000 1.554 184 N HN -0.198 nan 8.380 nan 0.000 0.541 185 I N 0.446 121.021 120.570 0.008 0.000 2.315 185 I HA -0.144 4.028 4.170 0.003 0.000 0.248 185 I C 1.026 177.116 176.117 -0.046 0.000 1.117 185 I CA 1.505 62.788 61.300 -0.028 0.000 1.404 185 I CB -0.524 37.480 38.000 0.005 0.000 1.071 185 I HN 0.472 nan 8.210 nan 0.000 0.419 186 D N 0.932 121.368 120.400 0.058 0.000 2.127 186 D HA -0.236 4.406 4.640 0.003 0.000 0.190 186 D C 1.832 178.125 176.300 -0.012 0.000 1.000 186 D CA 1.857 55.908 54.000 0.085 0.000 0.839 186 D CB -0.497 40.384 40.800 0.134 0.000 0.955 186 D HN 0.350 nan 8.370 nan 0.000 0.446 187 D N -0.196 120.199 120.400 -0.008 0.000 2.157 187 D HA -0.140 4.502 4.640 0.003 0.000 0.191 187 D C 2.203 178.428 176.300 -0.125 0.000 1.004 187 D CA 0.624 54.593 54.000 -0.051 0.000 0.854 187 D CB -0.395 40.365 40.800 -0.067 0.000 0.936 187 D HN 0.063 nan 8.370 nan 0.000 0.446 188 V N 0.488 120.315 119.914 -0.145 0.000 2.358 188 V HA -0.228 3.894 4.120 0.003 0.000 0.246 188 V C 2.386 178.374 176.094 -0.176 0.000 1.047 188 V CA 1.159 63.352 62.300 -0.179 0.000 1.035 188 V CB -0.275 31.448 31.823 -0.165 0.000 0.658 188 V HN 0.239 nan 8.190 nan 0.000 0.452 189 M N -0.505 118.950 119.600 -0.242 0.000 2.086 189 M HA -0.157 4.324 4.480 0.003 0.000 0.261 189 M C 2.305 178.510 176.300 -0.157 0.000 1.067 189 M CA 1.710 56.813 55.300 -0.328 0.000 1.116 189 M CB -1.277 30.876 32.600 -0.745 0.000 1.348 189 M HN 0.278 nan 8.290 nan 0.000 0.407 190 R N -0.856 119.611 120.500 -0.055 0.000 2.170 190 R HA -0.191 4.151 4.340 0.003 0.000 0.242 190 R C 1.077 177.440 176.300 0.104 0.000 1.145 190 R CA 1.196 57.333 56.100 0.062 0.000 0.984 190 R CB -0.471 29.916 30.300 0.145 0.000 0.869 190 R HN 0.490 nan 8.270 nan 0.000 0.455 191 H N -1.148 117.815 119.070 -0.178 0.000 2.505 191 H HA 0.190 4.747 4.556 0.003 0.000 0.289 191 H C -0.455 174.793 175.328 -0.134 0.000 1.052 191 H CA 0.060 55.949 56.048 -0.266 0.000 1.156 191 H CB 0.655 30.021 29.762 -0.660 0.000 1.507 191 H HN -0.094 nan 8.280 nan 0.000 0.548 192 T N 2.865 117.409 114.554 -0.018 0.000 2.749 192 T HA 0.244 4.596 4.350 0.003 0.000 0.287 192 T C -2.514 172.165 174.700 -0.035 0.000 0.970 192 T CA -1.660 60.411 62.100 -0.047 0.000 0.980 192 T CB 1.541 70.341 68.868 -0.114 0.000 0.924 192 T HN 0.010 nan 8.240 nan 0.000 0.456 193 P HA 0.232 nan 4.420 nan 0.000 0.263 193 P C 1.053 178.313 177.300 -0.066 0.000 1.195 193 P CA 0.799 63.879 63.100 -0.033 0.000 0.762 193 P CB 0.345 32.043 31.700 -0.004 0.000 0.799 194 G N 2.233 110.976 108.800 -0.095 0.000 2.213 194 G HA2 -0.231 3.731 3.960 0.003 0.000 0.236 194 G HA3 -0.231 3.731 3.960 0.003 0.000 0.236 194 G C 0.014 174.852 174.900 -0.104 0.000 0.991 194 G CA -0.408 44.629 45.100 -0.106 0.000 0.629 194 G HN 0.467 nan 8.290 nan 0.000 0.517 195 I N 1.849 122.360 120.570 -0.098 0.000 2.437 195 I HA 0.610 4.782 4.170 0.003 0.000 0.298 195 I C 0.187 176.272 176.117 -0.053 0.000 0.984 195 I CA -0.201 61.053 61.300 -0.077 0.000 1.214 195 I CB 2.153 40.080 38.000 -0.123 0.000 1.365 195 I HN 0.048 nan 8.210 nan 0.000 0.469 196 T N 4.951 119.523 114.554 0.031 0.000 2.824 196 T HA 0.556 4.908 4.350 0.003 0.000 0.282 196 T C -0.665 174.124 174.700 0.148 0.000 0.993 196 T CA -0.556 61.579 62.100 0.059 0.000 0.967 196 T CB 1.503 70.412 68.868 0.067 0.000 0.960 196 T HN 0.150 nan 8.240 nan 0.000 0.441 197 V N 3.762 123.749 119.914 0.121 0.000 2.370 197 V HA 0.640 4.761 4.120 0.003 0.000 0.283 197 V C 0.208 176.391 176.094 0.148 0.000 1.023 197 V CA -0.666 61.737 62.300 0.172 0.000 0.857 197 V CB 1.256 33.182 31.823 0.173 0.000 0.985 197 V HN 1.096 nan 8.190 nan 0.000 0.443 198 S N 3.542 119.277 115.700 0.058 0.000 2.600 198 S HA 0.920 5.391 4.470 0.003 0.000 0.300 198 S C -0.256 174.247 174.600 -0.161 0.000 1.087 198 S CA -0.645 57.610 58.200 0.092 0.000 0.965 198 S CB 2.100 65.483 63.200 0.305 0.000 1.089 198 S HN 1.099 nan 8.310 nan 0.000 0.496 199 A N 0.635 123.375 122.820 -0.133 0.000 2.310 199 A HA 0.682 5.004 4.320 0.003 0.000 0.299 199 A C -0.411 176.878 177.584 -0.491 0.000 1.147 199 A CA -0.602 51.292 52.037 -0.239 0.000 0.818 199 A CB -0.047 18.903 19.000 -0.082 0.000 1.096 199 A HN 0.872 nan 8.150 nan 0.000 0.495 200 Y N 0.791 120.884 120.300 -0.346 0.000 2.353 200 Y HA 0.213 4.765 4.550 0.002 0.000 0.294 200 Y C 0.217 176.059 175.900 -0.096 0.000 1.135 200 Y CA 0.923 58.702 58.100 -0.535 0.000 1.176 200 Y CB 0.257 38.317 38.460 -0.667 0.000 1.124 200 Y HN 0.812 nan 8.280 nan 0.000 0.537 201 D N -4.485 115.977 120.400 0.103 0.000 2.764 201 D HA 0.106 4.747 4.640 0.003 0.000 0.293 201 D C 0.583 176.885 176.300 0.003 0.000 1.287 201 D CA -0.009 54.062 54.000 0.118 0.000 0.768 201 D CB 0.308 41.279 40.800 0.285 0.000 1.288 201 D HN -0.043 nan 8.370 nan 0.000 0.426 202 T N -2.802 111.732 114.554 -0.033 0.000 2.792 202 T HA -0.242 4.110 4.350 0.003 0.000 0.268 202 T C 0.324 174.955 174.700 -0.115 0.000 1.059 202 T CA 1.903 63.891 62.100 -0.188 0.000 1.136 202 T CB -0.599 68.029 68.868 -0.399 0.000 0.846 202 T HN 0.524 nan 8.240 nan 0.000 0.489 203 D N 0.151 120.506 120.400 -0.074 0.000 2.571 203 D HA 0.344 4.986 4.640 0.003 0.000 0.239 203 D C 0.096 176.200 176.300 -0.327 0.000 1.267 203 D CA -0.407 53.509 54.000 -0.140 0.000 0.823 203 D CB 0.552 41.324 40.800 -0.046 0.000 1.056 203 D HN 0.305 nan 8.370 nan 0.000 0.494 204 R N 0.329 120.678 120.500 -0.252 0.000 2.535 204 R HA 0.476 4.818 4.340 0.003 0.000 0.274 204 R C -1.193 175.035 176.300 -0.120 0.000 1.090 204 R CA -0.658 55.290 56.100 -0.254 0.000 0.930 204 R CB 1.574 31.682 30.300 -0.320 0.000 1.223 204 R HN -0.022 nan 8.270 nan 0.000 0.441 205 N N 0.453 119.045 118.700 -0.181 0.000 2.577 205 N HA 0.377 5.118 4.740 0.003 0.000 0.285 205 N C -1.414 173.794 175.510 -0.504 0.000 1.309 205 N CA -0.915 51.952 53.050 -0.305 0.000 0.798 205 N CB 1.519 39.914 38.487 -0.154 0.000 1.463 205 N HN 0.435 nan 8.380 nan 0.000 0.518 206 N N -0.574 117.736 118.700 -0.650 0.000 2.335 206 N HA 0.469 5.210 4.740 0.003 0.000 0.304 206 N C -1.984 173.244 175.510 -0.469 0.000 1.135 206 N CA -0.434 52.214 53.050 -0.671 0.000 0.817 206 N CB 0.868 38.827 38.487 -0.879 0.000 1.294 206 N HN 0.348 nan 8.380 nan 0.000 0.497 207 Y N 1.350 121.476 120.300 -0.290 0.000 2.373 207 Y HA 0.394 4.945 4.550 0.003 0.000 0.336 207 Y C -1.096 174.657 175.900 -0.245 0.000 0.979 207 Y CA -0.828 57.143 58.100 -0.215 0.000 1.080 207 Y CB 0.681 39.083 38.460 -0.097 0.000 1.190 207 Y HN 0.411 nan 8.280 nan 0.000 0.446 208 Y N 1.301 121.648 120.300 0.077 0.000 2.361 208 Y HA 0.745 5.296 4.550 0.003 0.000 0.332 208 Y C 0.050 175.932 175.900 -0.030 0.000 1.101 208 Y CA -1.126 56.974 58.100 -0.000 0.000 1.137 208 Y CB 1.821 40.244 38.460 -0.061 0.000 1.207 208 Y HN 0.661 nan 8.280 nan 0.000 0.463 209 A N 3.116 126.029 122.820 0.155 0.000 2.402 209 A HA 0.646 4.968 4.320 0.003 0.000 0.291 209 A C -0.118 177.509 177.584 0.071 0.000 1.051 209 A CA -1.070 50.993 52.037 0.043 0.000 0.716 209 A CB 0.690 19.670 19.000 -0.034 0.000 1.223 209 A HN 0.934 nan 8.150 nan 0.000 0.425 210 R N 1.550 122.054 120.500 0.008 0.000 3.525 210 R HA -0.249 4.092 4.340 0.003 0.000 0.276 210 R C 1.091 177.455 176.300 0.106 0.000 1.116 210 R CA 1.220 57.370 56.100 0.083 0.000 0.745 210 R CB -2.032 28.277 30.300 0.014 0.000 1.185 210 R HN 2.503 nan 8.270 nan 0.000 0.454 211 G N -1.402 107.354 108.800 -0.073 0.000 2.176 211 G HA2 -0.328 3.634 3.960 0.003 0.000 0.253 211 G HA3 -0.328 3.634 3.960 0.003 0.000 0.253 211 G C -0.008 174.564 174.900 -0.546 0.000 0.979 211 G CA 0.292 45.191 45.100 -0.334 0.000 0.641 211 G HN 0.298 nan 8.290 nan 0.000 0.530 212 F N 1.324 121.305 119.950 0.051 0.000 2.480 212 F HA 0.693 5.221 4.527 0.002 0.000 0.329 212 F C 0.922 176.789 175.800 0.110 0.000 1.091 212 F CA -0.821 57.218 58.000 0.064 0.000 0.972 212 F CB 2.110 41.108 39.000 -0.004 0.000 1.150 212 F HN -0.045 nan 8.300 nan 0.000 0.467 213 S N 3.533 119.370 115.700 0.228 0.000 2.509 213 S HA 0.240 4.712 4.470 0.003 0.000 0.287 213 S C 0.201 174.828 174.600 0.045 0.000 1.248 213 S CA -0.434 57.800 58.200 0.057 0.000 1.089 213 S CB -0.379 62.831 63.200 0.016 0.000 0.900 213 S HN 0.314 nan 8.310 nan 0.000 0.496 214 I N 4.165 124.731 120.570 -0.007 0.000 2.668 214 I HA 0.017 4.189 4.170 0.003 0.000 0.285 214 I C 0.947 176.979 176.117 -0.142 0.000 1.168 214 I CA 0.219 61.462 61.300 -0.094 0.000 1.424 214 I CB 0.120 38.053 38.000 -0.112 0.000 1.377 214 I HN 0.562 nan 8.210 nan 0.000 0.560 215 N N 5.233 123.829 118.700 -0.173 0.000 2.466 215 N HA 0.104 4.845 4.740 0.003 0.000 0.272 215 N C -1.091 174.323 175.510 -0.160 0.000 1.455 215 N CA -0.248 52.737 53.050 -0.107 0.000 0.875 215 N CB 0.315 38.804 38.487 0.002 0.000 1.372 215 N HN 0.435 nan 8.380 nan 0.000 0.492 216 N N 0.774 119.250 118.700 -0.374 0.000 2.569 216 N HA 0.267 5.008 4.740 0.003 0.000 0.254 216 N C -1.424 173.808 175.510 -0.463 0.000 1.004 216 N CA -0.164 52.708 53.050 -0.297 0.000 0.904 216 N CB 0.305 38.637 38.487 -0.258 0.000 1.165 216 N HN 0.066 nan 8.380 nan 0.000 0.513 217 F N 0.642 120.539 119.950 -0.089 0.000 2.397 217 F HA 0.436 4.965 4.527 0.003 0.000 0.331 217 F C 0.797 176.451 175.800 -0.243 0.000 1.090 217 F CA -0.439 57.454 58.000 -0.179 0.000 1.065 217 F CB 1.545 40.489 39.000 -0.092 0.000 1.184 217 F HN 0.057 nan 8.300 nan 0.000 0.499 218 Q N 1.828 121.442 119.800 -0.310 0.000 2.305 218 Q HA 0.398 4.739 4.340 0.003 0.000 0.271 218 Q C -1.884 173.772 176.000 -0.573 0.000 1.046 218 Q CA -0.888 54.750 55.803 -0.275 0.000 0.798 218 Q CB 2.515 31.137 28.738 -0.192 0.000 1.286 218 Q HN 0.580 nan 8.270 nan 0.000 0.435 219 Y N 1.582 121.887 120.300 0.009 0.000 2.345 219 Y HA 0.177 4.728 4.550 0.002 0.000 0.331 219 Y C -0.237 175.649 175.900 -0.024 0.000 0.959 219 Y CA -0.918 57.187 58.100 0.009 0.000 1.204 219 Y CB 1.183 39.668 38.460 0.042 0.000 1.135 219 Y HN 0.632 nan 8.280 nan 0.000 0.477 220 D N 3.464 123.898 120.400 0.057 0.000 2.802 220 D HA -0.236 4.406 4.640 0.003 0.000 0.229 220 D C 1.288 177.596 176.300 0.013 0.000 1.203 220 D CA 1.687 55.695 54.000 0.013 0.000 0.712 220 D CB -0.657 40.121 40.800 -0.036 0.000 0.973 220 D HN 1.156 nan 8.370 nan 0.000 0.407 221 G N -0.383 108.409 108.800 -0.014 0.000 2.363 221 G HA2 -0.333 3.629 3.960 0.003 0.000 0.238 221 G HA3 -0.333 3.629 3.960 0.003 0.000 0.238 221 G C 0.468 175.369 174.900 0.002 0.000 1.062 221 G CA 0.224 45.313 45.100 -0.018 0.000 0.629 221 G HN 0.498 nan 8.290 nan 0.000 0.514 222 I N 3.238 123.839 120.570 0.052 0.000 2.452 222 I HA 0.299 4.471 4.170 0.003 0.000 0.287 222 I C -2.181 174.002 176.117 0.109 0.000 1.079 222 I CA -2.297 59.057 61.300 0.091 0.000 1.387 222 I CB 0.571 38.645 38.000 0.124 0.000 1.404 222 I HN -0.021 nan 8.210 nan 0.000 0.522 223 P HA 0.151 nan 4.420 nan 0.000 0.287 223 P C -0.084 177.296 177.300 0.134 0.000 1.281 223 P CA -0.333 62.811 63.100 0.073 0.000 0.781 223 P CB 0.972 32.681 31.700 0.014 0.000 0.903 224 S N 2.222 118.042 115.700 0.201 0.000 2.576 224 S HA 0.225 4.696 4.470 0.003 0.000 0.276 224 S C 0.855 175.535 174.600 0.133 0.000 1.339 224 S CA 0.124 58.446 58.200 0.203 0.000 1.039 224 S CB -0.242 63.140 63.200 0.305 0.000 0.902 224 S HN 0.554 nan 8.310 nan 0.000 0.516 225 T N 0.938 115.550 114.554 0.096 0.000 3.228 225 T HA 0.511 4.863 4.350 0.003 0.000 0.278 225 T C 0.046 174.766 174.700 0.033 0.000 1.014 225 T CA -0.069 62.082 62.100 0.085 0.000 0.904 225 T CB 0.128 69.056 68.868 0.100 0.000 1.110 225 T HN 0.694 nan 8.240 nan 0.000 0.541 226 A N 1.923 124.741 122.820 -0.003 0.000 3.000 226 A HA 0.546 4.867 4.320 0.003 0.000 0.315 226 A C 0.973 178.515 177.584 -0.069 0.000 1.434 226 A CA -0.914 51.059 52.037 -0.107 0.000 1.108 226 A CB -0.195 18.724 19.000 -0.136 0.000 1.171 226 A HN 0.548 nan 8.150 nan 0.000 0.524 227 R N 0.882 121.352 120.500 -0.050 0.000 2.468 227 R HA 0.159 4.501 4.340 0.003 0.000 0.280 227 R C 0.129 176.444 176.300 0.025 0.000 0.963 227 R CA -0.260 55.855 56.100 0.024 0.000 1.083 227 R CB 0.384 30.719 30.300 0.058 0.000 1.200 227 R HN 0.481 nan 8.270 nan 0.000 0.541 228 N N 1.530 120.214 118.700 -0.028 0.000 2.609 228 N HA 0.030 4.771 4.740 0.003 0.000 0.234 228 N C 0.951 176.478 175.510 0.029 0.000 1.001 228 N CA -0.107 52.984 53.050 0.069 0.000 0.926 228 N CB 1.719 40.322 38.487 0.193 0.000 1.130 228 N HN -0.023 nan 8.380 nan 0.000 0.510 229 V N 1.774 121.671 119.914 -0.028 0.000 3.186 229 V HA 0.050 4.171 4.120 0.003 0.000 0.270 229 V C 2.050 178.046 176.094 -0.163 0.000 1.149 229 V CA 1.554 63.770 62.300 -0.141 0.000 1.160 229 V CB -0.983 30.708 31.823 -0.219 0.000 0.758 229 V HN 0.505 nan 8.190 nan 0.000 0.516 230 G N -0.472 108.266 108.800 -0.104 0.000 2.443 230 G HA2 -0.153 3.808 3.960 0.003 0.000 0.219 230 G HA3 -0.153 3.808 3.960 0.003 0.000 0.219 230 G C 0.697 175.300 174.900 -0.494 0.000 1.131 230 G CA 0.624 45.581 45.100 -0.239 0.000 0.775 230 G HN 0.689 nan 8.290 nan 0.000 0.547 231 Y N 1.007 121.233 120.300 -0.123 0.000 2.516 231 Y HA 0.441 4.992 4.550 0.002 0.000 0.341 231 Y C 0.614 176.336 175.900 -0.297 0.000 0.912 231 Y CA -1.265 56.581 58.100 -0.424 0.000 1.167 231 Y CB -0.020 38.004 38.460 -0.727 0.000 1.195 231 Y HN -0.110 nan 8.280 nan 0.000 0.610 232 S N 2.119 117.872 115.700 0.089 0.000 2.931 232 S HA 0.141 4.612 4.470 0.003 0.000 0.342 232 S C 0.790 175.437 174.600 0.078 0.000 1.220 232 S CA 0.646 58.794 58.200 -0.086 0.000 1.045 232 S CB 0.182 63.079 63.200 -0.504 0.000 0.758 232 S HN 0.604 nan 8.310 nan 0.000 0.508 233 A N 3.050 125.855 122.820 -0.025 0.000 3.253 233 A HA 0.630 4.952 4.320 0.003 0.000 0.290 233 A C 1.228 178.741 177.584 -0.118 0.000 0.950 233 A CA -0.092 51.947 52.037 0.004 0.000 0.986 233 A CB -0.581 18.427 19.000 0.014 0.000 1.104 233 A HN 1.615 nan 8.150 nan 0.000 0.481 234 G N 0.598 109.320 108.800 -0.130 0.000 2.179 234 G HA2 -0.322 3.639 3.960 0.003 0.000 0.260 234 G HA3 -0.322 3.639 3.960 0.003 0.000 0.260 234 G C 0.955 175.732 174.900 -0.205 0.000 0.977 234 G CA 0.531 45.543 45.100 -0.147 0.000 0.641 234 G HN 0.505 nan 8.290 nan 0.000 0.533 235 N N 0.016 118.536 118.700 -0.300 0.000 2.272 235 N HA -0.058 4.684 4.740 0.003 0.000 0.185 235 N C 2.048 177.194 175.510 -0.607 0.000 1.014 235 N CA 1.829 54.567 53.050 -0.521 0.000 0.870 235 N CB -0.148 37.870 38.487 -0.782 0.000 0.975 235 N HN 0.561 nan 8.380 nan 0.000 0.433 236 T N -0.862 113.462 114.554 -0.383 0.000 3.086 236 T HA 0.259 4.611 4.350 0.003 0.000 0.250 236 T C 1.340 176.004 174.700 -0.061 0.000 1.074 236 T CA -0.014 61.956 62.100 -0.216 0.000 0.988 236 T CB 0.208 68.915 68.868 -0.267 0.000 0.988 236 T HN 0.067 nan 8.240 nan 0.000 0.530 237 L N 0.666 121.837 121.223 -0.086 0.000 2.966 237 L HA 0.379 4.720 4.340 0.003 0.000 0.262 237 L C 0.571 177.445 176.870 0.007 0.000 1.165 237 L CA -0.278 54.545 54.840 -0.028 0.000 0.978 237 L CB 0.483 42.517 42.059 -0.041 0.000 1.337 237 L HN 0.058 nan 8.230 nan 0.000 0.563 238 S N 1.267 116.976 115.700 0.015 0.000 2.642 238 S HA -0.105 4.366 4.470 0.003 0.000 0.308 238 S C 0.065 174.738 174.600 0.120 0.000 1.255 238 S CA 0.361 58.618 58.200 0.094 0.000 1.057 238 S CB 0.286 63.570 63.200 0.140 0.000 0.785 238 S HN 0.179 nan 8.310 nan 0.000 0.500 239 D N 1.717 122.207 120.400 0.150 0.000 2.256 239 D HA 0.125 4.767 4.640 0.003 0.000 0.250 239 D C 0.617 177.041 176.300 0.207 0.000 1.093 239 D CA -0.547 53.528 54.000 0.124 0.000 0.882 239 D CB 0.672 41.515 40.800 0.071 0.000 1.185 239 D HN 0.292 nan 8.370 nan 0.000 0.437 240 M N 2.689 122.385 119.600 0.159 0.000 2.619 240 M HA 0.001 4.483 4.480 0.003 0.000 0.251 240 M C 1.814 178.201 176.300 0.144 0.000 1.106 240 M CA 0.310 55.731 55.300 0.203 0.000 1.086 240 M CB -1.180 31.478 32.600 0.096 0.000 1.465 240 M HN 0.509 nan 8.290 nan 0.000 0.506 241 A N 0.748 123.618 122.820 0.082 0.000 2.076 241 A HA -0.128 4.193 4.320 0.003 0.000 0.220 241 A C 1.953 179.532 177.584 -0.007 0.000 1.160 241 A CA 1.405 53.474 52.037 0.053 0.000 0.653 241 A CB -0.837 18.191 19.000 0.047 0.000 0.801 241 A HN 0.647 nan 8.150 nan 0.000 0.455 242 I N -4.833 115.633 120.570 -0.172 0.000 3.956 242 I HA 0.301 4.473 4.170 0.003 0.000 0.333 242 I C -0.236 175.580 176.117 -0.501 0.000 1.302 242 I CA -0.407 60.639 61.300 -0.423 0.000 1.122 242 I CB 0.060 37.583 38.000 -0.795 0.000 1.013 242 I HN 0.135 nan 8.210 nan 0.000 0.405 243 Y N 0.823 121.113 120.300 -0.017 0.000 2.549 243 Y HA 0.351 4.903 4.550 0.003 0.000 0.339 243 Y C 0.728 176.634 175.900 0.009 0.000 1.053 243 Y CA -0.735 57.357 58.100 -0.013 0.000 1.105 243 Y CB 1.501 39.950 38.460 -0.019 0.000 1.258 243 Y HN -0.080 nan 8.280 nan 0.000 0.478 244 D N -0.167 120.344 120.400 0.185 0.000 2.380 244 D HA 0.140 4.782 4.640 0.003 0.000 0.212 244 D C -0.255 176.089 176.300 0.073 0.000 1.021 244 D CA 0.233 54.297 54.000 0.108 0.000 0.884 244 D CB 0.593 41.450 40.800 0.094 0.000 1.001 244 D HN 0.583 nan 8.370 nan 0.000 0.506 245 R N -0.912 119.629 120.500 0.067 0.000 2.663 245 R HA 0.533 4.875 4.340 0.003 0.000 0.267 245 R C -1.820 174.450 176.300 -0.050 0.000 1.038 245 R CA -0.981 55.120 56.100 0.002 0.000 0.886 245 R CB 1.236 31.531 30.300 -0.009 0.000 1.249 245 R HN -0.155 nan 8.270 nan 0.000 0.463 246 V N 1.143 121.000 119.914 -0.095 0.000 2.427 246 V HA 0.350 4.472 4.120 0.003 0.000 0.286 246 V C -0.141 175.874 176.094 -0.130 0.000 1.034 246 V CA -0.606 61.604 62.300 -0.149 0.000 0.893 246 V CB 1.429 33.145 31.823 -0.179 0.000 0.982 246 V HN 0.719 nan 8.190 nan 0.000 0.452 247 E N 2.873 122.987 120.200 -0.144 0.000 2.129 247 E HA 0.537 4.889 4.350 0.003 0.000 0.268 247 E C -1.299 175.206 176.600 -0.159 0.000 0.900 247 E CA -0.444 55.877 56.400 -0.131 0.000 0.755 247 E CB 2.041 31.670 29.700 -0.118 0.000 1.117 247 E HN 0.544 nan 8.360 nan 0.000 0.410 248 V N 4.700 124.524 119.914 -0.150 0.000 2.347 248 V HA 0.231 4.352 4.120 0.003 0.000 0.280 248 V C -0.582 175.418 176.094 -0.156 0.000 1.021 248 V CA -0.866 61.334 62.300 -0.167 0.000 0.847 248 V CB 1.186 32.911 31.823 -0.163 0.000 0.990 248 V HN 0.516 nan 8.190 nan 0.000 0.444 249 L N 6.475 127.595 121.223 -0.171 0.000 2.276 249 L HA 0.545 4.886 4.340 0.003 0.000 0.286 249 L C 0.009 176.772 176.870 -0.177 0.000 1.024 249 L CA -0.153 54.589 54.840 -0.163 0.000 0.826 249 L CB 1.026 42.985 42.059 -0.166 0.000 1.211 249 L HN 0.626 nan 8.230 nan 0.000 0.422 250 K N 3.577 123.871 120.400 -0.176 0.000 2.130 250 K HA 0.745 5.066 4.320 0.003 0.000 0.268 250 K C 0.309 176.776 176.600 -0.221 0.000 0.983 250 K CA -0.059 56.101 56.287 -0.211 0.000 0.893 250 K CB 1.835 34.189 32.500 -0.243 0.000 1.066 250 K HN 0.854 nan 8.250 nan 0.000 0.450 251 G N 1.155 109.813 108.800 -0.237 0.000 2.348 251 G HA2 0.020 3.981 3.960 0.003 0.000 0.199 251 G HA3 0.020 3.981 3.960 0.003 0.000 0.199 251 G C -1.532 173.234 174.900 -0.223 0.000 1.235 251 G CA -0.335 44.634 45.100 -0.218 0.000 1.264 251 G HN 0.715 nan 8.290 nan 0.000 0.543 252 A N 0.580 123.270 122.820 -0.217 0.000 2.285 252 A HA 0.751 5.072 4.320 0.003 0.000 0.310 252 A C 0.566 178.021 177.584 -0.216 0.000 1.266 252 A CA 0.937 52.832 52.037 -0.237 0.000 0.832 252 A CB 0.665 19.516 19.000 -0.249 0.000 1.163 252 A HN 2.131 nan 8.150 nan 0.000 0.499 253 T N 0.117 114.547 114.554 -0.207 0.000 3.221 253 T HA 0.347 4.698 4.350 0.003 0.000 0.246 253 T C 1.206 175.794 174.700 -0.187 0.000 0.952 253 T CA 0.408 62.401 62.100 -0.179 0.000 0.994 253 T CB 0.195 68.950 68.868 -0.187 0.000 1.127 253 T HN 0.676 nan 8.240 nan 0.000 0.549 254 G N 1.676 110.365 108.800 -0.186 0.000 2.402 254 G HA2 -0.101 3.861 3.960 0.003 0.000 0.216 254 G HA3 -0.101 3.861 3.960 0.003 0.000 0.216 254 G C 1.227 176.025 174.900 -0.171 0.000 1.162 254 G CA 0.798 45.783 45.100 -0.192 0.000 0.777 254 G HN 0.555 nan 8.290 nan 0.000 0.539 255 L N 0.177 121.323 121.223 -0.128 0.000 2.021 255 L HA -0.069 4.273 4.340 0.003 0.000 0.215 255 L C 2.431 179.126 176.870 -0.292 0.000 1.074 255 L CA 1.843 56.594 54.840 -0.148 0.000 0.760 255 L CB -0.225 41.789 42.059 -0.075 0.000 0.889 255 L HN 0.232 nan 8.230 nan 0.000 0.433 256 L N -2.455 118.582 121.223 -0.311 0.000 2.515 256 L HA 0.060 4.401 4.340 0.003 0.000 0.223 256 L C 1.952 178.658 176.870 -0.274 0.000 1.079 256 L CA 0.609 55.208 54.840 -0.403 0.000 0.857 256 L CB -0.375 41.443 42.059 -0.401 0.000 1.050 256 L HN 0.160 nan 8.230 nan 0.000 0.476 257 T N -0.262 114.161 114.554 -0.219 0.000 2.985 257 T HA 0.172 4.524 4.350 0.003 0.000 0.266 257 T C 1.278 175.877 174.700 -0.167 0.000 1.076 257 T CA 0.841 62.832 62.100 -0.181 0.000 1.135 257 T CB 0.058 68.810 68.868 -0.193 0.000 0.890 257 T HN 0.565 nan 8.240 nan 0.000 0.480 258 G N 1.577 110.266 108.800 -0.185 0.000 2.527 258 G HA2 -0.061 3.901 3.960 0.003 0.000 0.268 258 G HA3 -0.061 3.901 3.960 0.003 0.000 0.268 258 G C 0.244 174.927 174.900 -0.360 0.000 1.175 258 G CA -0.316 44.670 45.100 -0.191 0.000 0.962 258 G HN 0.896 nan 8.290 nan 0.000 0.560 259 A N -0.031 122.522 122.820 -0.445 0.000 2.425 259 A HA 0.790 5.111 4.320 0.003 0.000 0.242 259 A C 1.164 178.475 177.584 -0.456 0.000 1.077 259 A CA 1.683 53.284 52.037 -0.726 0.000 0.781 259 A CB 0.282 18.813 19.000 -0.783 0.000 1.020 259 A HN 2.792 nan 8.150 nan 0.000 0.494 260 G N -0.667 107.866 108.800 -0.444 0.000 2.320 260 G HA2 0.549 4.510 3.960 0.003 0.000 0.297 260 G HA3 0.549 4.510 3.960 0.003 0.000 0.297 260 G C -0.307 174.447 174.900 -0.243 0.000 1.344 260 G CA 0.037 44.967 45.100 -0.283 0.000 0.851 260 G HN 1.753 nan 8.290 nan 0.000 0.567 261 S N -1.162 114.424 115.700 -0.190 0.000 2.661 261 S HA 0.791 5.263 4.470 0.003 0.000 0.265 261 S C 0.629 175.078 174.600 -0.252 0.000 1.225 261 S CA -0.586 57.514 58.200 -0.166 0.000 0.986 261 S CB 0.900 64.044 63.200 -0.092 0.000 1.008 261 S HN 0.720 nan 8.310 nan 0.000 0.565 262 L N -0.074 120.937 121.223 -0.354 0.000 2.569 262 L HA 0.612 4.953 4.340 0.003 0.000 0.247 262 L C 1.773 178.410 176.870 -0.389 0.000 1.135 262 L CA 0.397 54.862 54.840 -0.625 0.000 0.812 262 L CB 0.180 41.302 42.059 -1.561 0.000 1.431 262 L HN 1.105 nan 8.230 nan 0.000 0.499 263 G N 0.021 108.607 108.800 -0.357 0.000 4.677 263 G HA2 -0.154 3.808 3.960 0.003 0.000 0.215 263 G HA3 -0.154 3.808 3.960 0.003 0.000 0.215 263 G C -0.122 174.688 174.900 -0.149 0.000 1.506 263 G CA 0.225 45.269 45.100 -0.092 0.000 1.016 263 G HN 1.190 nan 8.290 nan 0.000 0.653 264 A N -1.313 121.408 122.820 -0.166 0.000 2.606 264 A HA 0.800 5.122 4.320 0.003 0.000 0.293 264 A C -0.601 176.839 177.584 -0.239 0.000 1.082 264 A CA 0.874 52.793 52.037 -0.197 0.000 0.685 264 A CB 1.449 20.342 19.000 -0.179 0.000 1.284 264 A HN 1.103 nan 8.150 nan 0.000 0.408 265 T N 1.393 115.801 114.554 -0.244 0.000 2.797 265 T HA 0.558 4.909 4.350 0.003 0.000 0.279 265 T C -0.390 174.132 174.700 -0.296 0.000 0.991 265 T CA 0.021 61.951 62.100 -0.284 0.000 0.979 265 T CB 0.260 68.980 68.868 -0.246 0.000 0.943 265 T HN 0.400 nan 8.240 nan 0.000 0.444 266 I N 4.527 124.865 120.570 -0.386 0.000 2.312 266 I HA 0.324 4.495 4.170 0.003 0.000 0.291 266 I C 0.230 176.172 176.117 -0.292 0.000 1.031 266 I CA -0.459 60.650 61.300 -0.319 0.000 1.293 266 I CB 0.707 38.525 38.000 -0.303 0.000 1.403 266 I HN 0.429 nan 8.210 nan 0.000 0.484 267 N N 7.229 125.773 118.700 -0.259 0.000 2.399 267 N HA 0.480 5.221 4.740 0.003 0.000 0.280 267 N C -1.554 173.795 175.510 -0.268 0.000 1.008 267 N CA -0.491 52.399 53.050 -0.266 0.000 0.894 267 N CB 1.138 39.508 38.487 -0.197 0.000 1.273 267 N HN 0.322 nan 8.380 nan 0.000 0.486 268 L N 4.440 125.446 121.223 -0.362 0.000 2.265 268 L HA 0.468 4.810 4.340 0.003 0.000 0.289 268 L C -0.254 176.571 176.870 -0.076 0.000 1.033 268 L CA -0.516 54.104 54.840 -0.367 0.000 0.814 268 L CB 0.898 42.470 42.059 -0.812 0.000 1.203 268 L HN 0.481 nan 8.230 nan 0.000 0.423 269 I N 3.498 124.085 120.570 0.028 0.000 2.371 269 I HA 0.279 4.450 4.170 0.003 0.000 0.290 269 I C 0.908 177.186 176.117 0.267 0.000 1.028 269 I CA -0.203 61.165 61.300 0.114 0.000 1.345 269 I CB 0.536 38.575 38.000 0.065 0.000 1.407 269 I HN 0.590 nan 8.210 nan 0.000 0.501 270 R N 4.121 124.747 120.500 0.210 0.000 2.707 270 R HA 0.232 4.574 4.340 0.003 0.000 0.270 270 R C 0.244 176.605 176.300 0.102 0.000 1.083 270 R CA -0.595 55.553 56.100 0.079 0.000 1.182 270 R CB 0.929 31.208 30.300 -0.034 0.000 1.084 270 R HN 0.490 nan 8.270 nan 0.000 0.528 271 K N 1.560 122.006 120.400 0.077 0.000 2.219 271 K HA 0.109 4.431 4.320 0.003 0.000 0.258 271 K C -0.262 176.487 176.600 0.248 0.000 1.008 271 K CA 0.290 56.680 56.287 0.172 0.000 0.928 271 K CB 0.728 33.342 32.500 0.190 0.000 0.983 271 K HN 0.286 nan 8.250 nan 0.000 0.484 272 K N 1.644 122.146 120.400 0.170 0.000 2.385 272 K HA 0.386 4.708 4.320 0.003 0.000 0.248 272 K C -2.649 174.000 176.600 0.083 0.000 0.955 272 K CA -2.135 54.238 56.287 0.143 0.000 0.816 272 K CB 1.921 34.500 32.500 0.132 0.000 1.250 272 K HN 0.263 nan 8.250 nan 0.000 0.434 273 P HA 0.051 nan 4.420 nan 0.000 0.272 273 P C -0.959 176.347 177.300 0.011 0.000 1.223 273 P CA -0.283 62.809 63.100 -0.014 0.000 0.784 273 P CB 0.728 32.387 31.700 -0.068 0.000 0.923 274 T N -2.782 111.773 114.554 0.001 0.000 2.916 274 T HA 0.348 4.700 4.350 0.003 0.000 0.292 274 T C 0.918 175.639 174.700 0.035 0.000 1.055 274 T CA -0.537 61.605 62.100 0.069 0.000 1.009 274 T CB 0.966 69.876 68.868 0.071 0.000 1.118 274 T HN 0.349 nan 8.240 nan 0.000 0.497 275 H N 0.443 119.531 119.070 0.029 0.000 2.395 275 H HA 0.008 4.565 4.556 0.002 0.000 0.299 275 H C 1.105 176.464 175.328 0.053 0.000 1.070 275 H CA 1.180 57.247 56.048 0.031 0.000 1.356 275 H CB 0.322 30.103 29.762 0.031 0.000 1.401 275 H HN 0.710 nan 8.280 nan 0.000 0.524 276 E N 1.448 121.758 120.200 0.184 0.000 2.371 276 E HA -0.017 4.335 4.350 0.003 0.000 0.257 276 E C -0.646 176.054 176.600 0.166 0.000 1.134 276 E CA -0.651 55.846 56.400 0.162 0.000 0.919 276 E CB 0.724 30.508 29.700 0.141 0.000 1.025 276 E HN 0.037 nan 8.360 nan 0.000 0.438 277 F N 1.585 121.569 119.950 0.057 0.000 2.420 277 F HA 0.340 4.869 4.527 0.004 0.000 0.352 277 F C 0.136 175.985 175.800 0.083 0.000 1.108 277 F CA -0.283 57.749 58.000 0.054 0.000 1.162 277 F CB 0.578 39.604 39.000 0.044 0.000 1.118 277 F HN 0.560 nan 8.300 nan 0.000 0.510 278 K N 4.621 124.672 120.400 -0.582 0.000 2.555 278 K HA 0.916 5.238 4.320 0.003 0.000 0.279 278 K C -1.245 175.041 176.600 -0.524 0.000 0.986 278 K CA -0.824 55.211 56.287 -0.421 0.000 0.880 278 K CB 1.952 34.369 32.500 -0.139 0.000 1.474 278 K HN 0.923 nan 8.250 nan 0.000 0.433 279 G N 0.683 109.274 108.800 -0.348 0.000 2.320 279 G HA2 0.378 4.340 3.960 0.003 0.000 0.296 279 G HA3 0.378 4.340 3.960 0.003 0.000 0.296 279 G C -1.963 172.527 174.900 -0.684 0.000 1.306 279 G CA -0.590 44.302 45.100 -0.347 0.000 0.836 279 G HN 1.111 nan 8.290 nan 0.000 0.517 280 H N -2.454 116.200 119.070 -0.692 0.000 3.042 280 H HA 0.721 5.278 4.556 0.002 0.000 0.346 280 H C -1.792 173.283 175.328 -0.422 0.000 1.294 280 H CA -0.850 54.733 56.048 -0.775 0.000 1.141 280 H CB 1.339 30.876 29.762 -0.375 0.000 1.872 280 H HN 0.666 nan 8.280 nan 0.000 0.541 281 V N 1.064 120.857 119.914 -0.201 0.000 2.581 281 V HA 0.365 4.487 4.120 0.003 0.000 0.303 281 V C -0.028 176.183 176.094 0.195 0.000 1.041 281 V CA -0.615 61.712 62.300 0.045 0.000 0.907 281 V CB 1.696 33.611 31.823 0.154 0.000 0.994 281 V HN 0.856 nan 8.190 nan 0.000 0.442 282 E N 3.338 123.662 120.200 0.206 0.000 2.272 282 E HA 0.668 5.020 4.350 0.003 0.000 0.269 282 E C -1.805 174.899 176.600 0.173 0.000 0.877 282 E CA -0.581 55.937 56.400 0.198 0.000 0.755 282 E CB 1.792 31.609 29.700 0.195 0.000 1.192 282 E HN 0.620 nan 8.360 nan 0.000 0.422 283 L N 3.285 124.608 121.223 0.166 0.000 2.341 283 L HA 0.783 5.125 4.340 0.003 0.000 0.278 283 L C 0.076 177.036 176.870 0.150 0.000 1.005 283 L CA -0.923 54.014 54.840 0.162 0.000 0.818 283 L CB 2.019 44.177 42.059 0.164 0.000 1.259 283 L HN 0.690 nan 8.230 nan 0.000 0.418 284 G N 1.754 110.647 108.800 0.155 0.000 2.638 284 G HA2 0.758 4.720 3.960 0.003 0.000 0.302 284 G HA3 0.758 4.720 3.960 0.003 0.000 0.302 284 G C -1.641 173.347 174.900 0.147 0.000 1.365 284 G CA -0.429 44.753 45.100 0.136 0.000 0.987 284 G HN 0.711 nan 8.290 nan 0.000 0.495 285 A N 0.553 123.448 122.820 0.126 0.000 2.381 285 A HA 0.961 5.282 4.320 0.003 0.000 0.299 285 A C 0.045 177.644 177.584 0.026 0.000 1.049 285 A CA -0.054 52.007 52.037 0.040 0.000 0.715 285 A CB 1.762 20.820 19.000 0.096 0.000 1.222 285 A HN 1.727 nan 8.150 nan 0.000 0.428 286 G N 0.128 108.859 108.800 -0.116 0.000 2.642 286 G HA2 0.550 4.512 3.960 0.003 0.000 0.293 286 G HA3 0.550 4.512 3.960 0.003 0.000 0.293 286 G C -0.264 174.512 174.900 -0.207 0.000 1.341 286 G CA -0.494 44.548 45.100 -0.096 0.000 0.916 286 G HN 0.905 nan 8.290 nan 0.000 0.474 287 S N 0.753 116.270 115.700 -0.306 0.000 2.711 287 S HA 0.016 4.488 4.470 0.003 0.000 0.320 287 S C -0.059 174.260 174.600 -0.467 0.000 1.240 287 S CA 1.056 58.865 58.200 -0.652 0.000 1.034 287 S CB -0.283 62.206 63.200 -1.183 0.000 0.741 287 S HN 0.707 nan 8.310 nan 0.000 0.496 288 W N 2.074 123.383 121.300 0.015 0.000 5.324 288 W HA -0.165 4.496 4.660 0.003 0.000 0.404 288 W C -0.016 176.474 176.519 -0.049 0.000 1.566 288 W CA 0.167 57.532 57.345 0.032 0.000 0.927 288 W CB -2.948 26.584 29.460 0.119 0.000 2.757 288 W HN 0.961 nan 8.180 nan 0.000 1.382 289 D N -0.669 119.686 120.400 -0.074 0.000 2.702 289 D HA -0.239 4.402 4.640 0.003 0.000 0.233 289 D C 0.404 176.458 176.300 -0.410 0.000 1.164 289 D CA 1.495 55.317 54.000 -0.297 0.000 0.638 289 D CB -1.026 39.675 40.800 -0.166 0.000 1.041 289 D HN 0.362 nan 8.370 nan 0.000 0.422 290 N N 0.755 119.254 118.700 -0.335 0.000 2.402 290 N HA 0.090 4.832 4.740 0.003 0.000 0.252 290 N C -1.288 174.010 175.510 -0.352 0.000 1.118 290 N CA 0.082 53.023 53.050 -0.183 0.000 0.945 290 N CB 0.118 38.610 38.487 0.009 0.000 1.147 290 N HN 0.053 nan 8.380 nan 0.000 0.495 291 Y N 2.109 122.444 120.300 0.058 0.000 2.377 291 Y HA 0.477 5.028 4.550 0.003 0.000 0.339 291 Y C 0.642 176.550 175.900 0.012 0.000 1.011 291 Y CA -0.869 57.258 58.100 0.045 0.000 1.093 291 Y CB 1.527 40.019 38.460 0.053 0.000 1.201 291 Y HN 0.385 nan 8.280 nan 0.000 0.455 292 R N 1.610 122.229 120.500 0.197 0.000 2.548 292 R HA 0.716 5.057 4.340 0.003 0.000 0.280 292 R C -1.698 174.696 176.300 0.155 0.000 1.061 292 R CA -0.560 55.611 56.100 0.119 0.000 0.915 292 R CB 1.479 31.824 30.300 0.076 0.000 1.210 292 R HN 0.773 nan 8.270 nan 0.000 0.442 293 S N 2.185 117.985 115.700 0.166 0.000 2.526 293 S HA 0.569 5.041 4.470 0.003 0.000 0.293 293 S C -0.927 173.762 174.600 0.149 0.000 1.092 293 S CA -0.817 57.489 58.200 0.176 0.000 0.980 293 S CB 2.118 65.443 63.200 0.208 0.000 1.048 293 S HN 0.741 nan 8.310 nan 0.000 0.483 294 E N 1.117 121.395 120.200 0.129 0.000 2.352 294 E HA 0.606 4.958 4.350 0.003 0.000 0.280 294 E C -2.321 174.304 176.600 0.040 0.000 0.930 294 E CA -0.922 55.534 56.400 0.092 0.000 0.765 294 E CB 1.772 31.535 29.700 0.105 0.000 1.219 294 E HN 0.556 nan 8.360 nan 0.000 0.434 295 L N 3.719 124.934 121.223 -0.014 0.000 2.470 295 L HA 0.551 4.893 4.340 0.003 0.000 0.268 295 L C -2.076 174.718 176.870 -0.128 0.000 0.964 295 L CA -0.309 54.489 54.840 -0.070 0.000 0.839 295 L CB 1.886 43.959 42.059 0.024 0.000 1.276 295 L HN 0.608 nan 8.230 nan 0.000 0.403 296 D N 4.360 124.583 120.400 -0.294 0.000 2.479 296 D HA 0.506 5.148 4.640 0.003 0.000 0.246 296 D C -1.802 174.367 176.300 -0.218 0.000 1.336 296 D CA -0.043 53.796 54.000 -0.269 0.000 0.967 296 D CB 1.830 42.372 40.800 -0.431 0.000 1.275 296 D HN 0.274 nan 8.370 nan 0.000 0.577 297 V N 2.306 122.160 119.914 -0.101 0.000 2.680 297 V HA 0.801 4.923 4.120 0.003 0.000 0.309 297 V C -0.202 175.817 176.094 -0.125 0.000 1.052 297 V CA -0.616 61.628 62.300 -0.094 0.000 0.908 297 V CB 1.818 33.647 31.823 0.009 0.000 1.001 297 V HN 0.612 nan 8.190 nan 0.000 0.431 298 S N 2.285 117.851 115.700 -0.224 0.000 2.537 298 S HA 0.944 5.416 4.470 0.003 0.000 0.270 298 S C -0.506 174.024 174.600 -0.116 0.000 1.142 298 S CA 0.359 58.475 58.200 -0.139 0.000 0.870 298 S CB 1.895 65.032 63.200 -0.105 0.000 1.112 298 S HN 1.731 nan 8.310 nan 0.000 0.466 299 G N 2.272 111.077 108.800 0.009 0.000 2.317 299 G HA2 0.426 4.387 3.960 0.003 0.000 0.293 299 G HA3 0.426 4.387 3.960 0.003 0.000 0.293 299 G C -3.534 171.377 174.900 0.019 0.000 1.287 299 G CA -0.588 44.570 45.100 0.098 0.000 0.850 299 G HN 0.620 nan 8.290 nan 0.000 0.515 300 P HA 0.290 nan 4.420 nan 0.000 0.271 300 P C 0.509 177.766 177.300 -0.070 0.000 1.216 300 P CA -0.099 62.959 63.100 -0.071 0.000 0.771 300 P CB 1.479 33.140 31.700 -0.064 0.000 0.864 301 L N 1.324 122.478 121.223 -0.116 0.000 2.470 301 L HA 0.080 4.422 4.340 0.003 0.000 0.219 301 L C 1.490 178.296 176.870 -0.106 0.000 1.071 301 L CA 0.762 55.536 54.840 -0.110 0.000 0.850 301 L CB -0.213 41.760 42.059 -0.143 0.000 1.040 301 L HN 0.448 nan 8.230 nan 0.000 0.475 302 T N -3.480 111.004 114.554 -0.118 0.000 2.936 302 T HA 0.151 4.502 4.350 0.003 0.000 0.282 302 T C 0.912 175.519 174.700 -0.155 0.000 1.003 302 T CA -0.721 61.311 62.100 -0.113 0.000 1.005 302 T CB 1.487 70.301 68.868 -0.090 0.000 1.097 302 T HN 0.081 nan 8.240 nan 0.000 0.532 303 E N 0.649 120.726 120.200 -0.205 0.000 2.371 303 E HA -0.058 4.294 4.350 0.003 0.000 0.194 303 E C 1.956 178.322 176.600 -0.391 0.000 1.012 303 E CA 0.992 57.169 56.400 -0.371 0.000 0.860 303 E CB -0.691 28.653 29.700 -0.593 0.000 0.811 303 E HN 0.671 nan 8.360 nan 0.000 0.502 304 S N 0.251 115.814 115.700 -0.228 0.000 2.436 304 S HA 0.149 4.620 4.470 0.003 0.000 0.228 304 S C 1.748 176.292 174.600 -0.093 0.000 1.014 304 S CA 1.391 59.508 58.200 -0.139 0.000 0.950 304 S CB -0.228 62.932 63.200 -0.067 0.000 0.784 304 S HN 0.500 nan 8.310 nan 0.000 0.504 305 G N 2.465 111.199 108.800 -0.110 0.000 2.254 305 G HA2 -0.350 3.612 3.960 0.003 0.000 0.225 305 G HA3 -0.350 3.612 3.960 0.003 0.000 0.225 305 G C 0.857 175.681 174.900 -0.127 0.000 1.003 305 G CA 0.534 45.567 45.100 -0.113 0.000 0.622 305 G HN 0.685 nan 8.290 nan 0.000 0.507 306 N N 0.776 119.433 118.700 -0.072 0.000 2.322 306 N HA -0.039 4.703 4.740 0.003 0.000 0.189 306 N C 0.698 176.161 175.510 -0.079 0.000 1.012 306 N CA 1.976 55.001 53.050 -0.042 0.000 0.880 306 N CB -0.341 38.149 38.487 0.005 0.000 0.967 306 N HN 0.729 nan 8.380 nan 0.000 0.439 307 V N 0.617 120.446 119.914 -0.140 0.000 2.444 307 V HA 0.436 4.558 4.120 0.003 0.000 0.294 307 V C 0.063 176.000 176.094 -0.262 0.000 1.022 307 V CA -0.794 61.348 62.300 -0.263 0.000 0.850 307 V CB 1.421 33.071 31.823 -0.289 0.000 0.992 307 V HN 0.097 nan 8.190 nan 0.000 0.426 308 R N 2.121 122.444 120.500 -0.295 0.000 2.854 308 R HA 0.886 5.227 4.340 0.003 0.000 0.271 308 R C -0.101 176.058 176.300 -0.236 0.000 0.996 308 R CA -0.594 55.364 56.100 -0.236 0.000 0.961 308 R CB 2.454 32.611 30.300 -0.238 0.000 1.182 308 R HN 0.918 nan 8.270 nan 0.000 0.479 309 G N 0.554 109.252 108.800 -0.170 0.000 2.704 309 G HA2 0.589 4.550 3.960 0.003 0.000 0.293 309 G HA3 0.589 4.550 3.960 0.003 0.000 0.293 309 G C -1.771 173.052 174.900 -0.129 0.000 1.421 309 G CA -0.625 44.374 45.100 -0.168 0.000 0.870 309 G HN 0.445 nan 8.290 nan 0.000 0.492 310 R N -0.048 120.355 120.500 -0.162 0.000 2.604 310 R HA 0.734 5.075 4.340 0.003 0.000 0.281 310 R C -1.065 175.100 176.300 -0.226 0.000 1.020 310 R CA -0.461 55.549 56.100 -0.151 0.000 0.899 310 R CB 1.949 32.185 30.300 -0.106 0.000 1.205 310 R HN 1.044 nan 8.270 nan 0.000 0.450 311 A N 2.964 125.700 122.820 -0.141 0.000 2.435 311 A HA 0.771 5.093 4.320 0.003 0.000 0.304 311 A C -1.486 176.086 177.584 -0.019 0.000 1.064 311 A CA -0.642 51.326 52.037 -0.115 0.000 0.727 311 A CB 2.143 21.100 19.000 -0.071 0.000 1.284 311 A HN 0.397 nan 8.150 nan 0.000 0.415 312 V N 0.536 120.491 119.914 0.068 0.000 2.733 312 V HA 0.777 4.899 4.120 0.003 0.000 0.306 312 V C 0.029 176.206 176.094 0.139 0.000 1.084 312 V CA -0.176 62.185 62.300 0.100 0.000 0.905 312 V CB 1.637 33.557 31.823 0.162 0.000 1.010 312 V HN 1.549 nan 8.190 nan 0.000 0.424 313 A N 3.202 126.081 122.820 0.099 0.000 2.401 313 A HA 1.061 5.382 4.320 0.003 0.000 0.310 313 A C -0.428 177.168 177.584 0.020 0.000 1.075 313 A CA -0.190 51.891 52.037 0.073 0.000 0.746 313 A CB 1.964 21.080 19.000 0.193 0.000 1.277 313 A HN 1.794 nan 8.150 nan 0.000 0.425 314 A N 0.518 123.311 122.820 -0.044 0.000 2.520 314 A HA 0.692 5.013 4.320 0.003 0.000 0.298 314 A C -1.864 175.776 177.584 0.094 0.000 1.051 314 A CA -0.362 51.699 52.037 0.039 0.000 0.690 314 A CB 1.174 20.194 19.000 0.033 0.000 1.281 314 A HN 1.655 nan 8.150 nan 0.000 0.402 315 Y N 0.876 121.174 120.300 -0.003 0.000 2.406 315 Y HA 0.676 5.228 4.550 0.003 0.000 0.340 315 Y C -0.478 175.459 175.900 0.061 0.000 0.975 315 Y CA -0.442 57.667 58.100 0.015 0.000 1.056 315 Y CB 1.997 40.477 38.460 0.032 0.000 1.210 315 Y HN 0.831 nan 8.280 nan 0.000 0.448 316 Q N 4.186 123.618 119.800 -0.613 0.000 2.372 316 Q HA 0.414 4.755 4.340 0.003 0.000 0.273 316 Q C -2.264 173.399 176.000 -0.563 0.000 1.078 316 Q CA -0.765 54.772 55.803 -0.442 0.000 0.806 316 Q CB 1.852 30.502 28.738 -0.147 0.000 1.332 316 Q HN 0.710 nan 8.270 nan 0.000 0.435 317 D N 2.945 123.175 120.400 -0.282 0.000 2.736 317 D HA 0.299 4.940 4.640 0.003 0.000 0.243 317 D C -1.722 174.653 176.300 0.125 0.000 1.304 317 D CA -0.279 53.671 54.000 -0.084 0.000 0.934 317 D CB 1.087 41.886 40.800 -0.003 0.000 1.382 317 D HN 0.625 nan 8.370 nan 0.000 0.571 318 K N 1.848 122.335 120.400 0.146 0.000 2.477 318 K HA 0.555 4.876 4.320 0.003 0.000 0.255 318 K C -0.816 175.992 176.600 0.346 0.000 0.952 318 K CA -0.632 55.792 56.287 0.229 0.000 0.826 318 K CB 1.969 34.576 32.500 0.178 0.000 1.331 318 K HN 0.173 nan 8.250 nan 0.000 0.437 319 H N 0.062 119.229 119.070 0.163 0.000 2.885 319 H HA 0.519 5.077 4.556 0.003 0.000 0.263 319 H C 0.042 175.500 175.328 0.216 0.000 1.564 319 H CA -0.080 56.072 56.048 0.173 0.000 1.632 319 H CB 1.195 31.055 29.762 0.164 0.000 1.650 319 H HN 0.872 nan 8.280 nan 0.000 0.928 320 S N -1.009 114.815 115.700 0.207 0.000 2.819 320 S HA 0.210 4.681 4.470 0.003 0.000 0.299 320 S C 0.614 174.814 174.600 -0.667 0.000 1.192 320 S CA -0.393 57.723 58.200 -0.140 0.000 0.847 320 S CB -0.010 62.962 63.200 -0.381 0.000 1.224 320 S HN 0.490 nan 8.310 nan 0.000 0.537 321 F N 0.254 119.431 119.950 -1.288 0.000 2.234 321 F HA 0.373 4.901 4.527 0.002 0.000 0.299 321 F C 1.098 176.558 175.800 -0.567 0.000 1.087 321 F CA -0.158 57.009 58.000 -1.388 0.000 1.340 321 F CB -0.737 37.476 39.000 -1.313 0.000 1.031 321 F HN 0.256 nan 8.300 nan 0.000 0.500 322 M N 2.326 121.251 119.600 -1.125 0.000 2.238 322 M HA -0.002 4.480 4.480 0.003 0.000 0.350 322 M C 0.347 176.403 176.300 -0.407 0.000 1.321 322 M CA 0.206 55.099 55.300 -0.678 0.000 1.097 322 M CB 0.087 32.204 32.600 -0.806 0.000 1.713 322 M HN 0.095 nan 8.290 nan 0.000 0.455 323 D N 3.678 123.906 120.400 -0.288 0.000 2.515 323 D HA -0.131 4.510 4.640 0.003 0.000 0.232 323 D C 0.774 176.788 176.300 -0.475 0.000 1.157 323 D CA 0.807 54.682 54.000 -0.208 0.000 0.871 323 D CB 0.427 41.167 40.800 -0.100 0.000 1.200 323 D HN 0.899 nan 8.370 nan 0.000 0.466 324 H N 0.961 119.965 119.070 -0.109 0.000 2.581 324 H HA -0.299 4.259 4.556 0.003 0.000 0.318 324 H C -1.153 174.111 175.328 -0.106 0.000 1.041 324 H CA 0.686 56.657 56.048 -0.128 0.000 1.140 324 H CB -2.604 27.040 29.762 -0.196 0.000 1.421 324 H HN 0.394 nan 8.280 nan 0.000 0.396 325 Y N 1.308 121.369 120.300 -0.398 0.000 2.377 325 Y HA 0.480 5.032 4.550 0.003 0.000 0.339 325 Y C 0.079 175.769 175.900 -0.350 0.000 1.011 325 Y CA -0.397 57.504 58.100 -0.332 0.000 1.093 325 Y CB 1.369 39.618 38.460 -0.353 0.000 1.201 325 Y HN 0.554 nan 8.280 nan 0.000 0.455 326 E N 5.225 124.914 120.200 -0.853 0.000 2.433 326 E HA 0.590 4.942 4.350 0.003 0.000 0.278 326 E C -1.874 174.293 176.600 -0.721 0.000 0.976 326 E CA -1.385 54.600 56.400 -0.691 0.000 0.793 326 E CB 2.393 31.706 29.700 -0.645 0.000 1.311 326 E HN 0.693 nan 8.360 nan 0.000 0.460 327 R N 1.209 121.518 120.500 -0.318 0.000 2.515 327 R HA 0.338 4.680 4.340 0.003 0.000 0.278 327 R C -1.569 174.698 176.300 -0.054 0.000 1.107 327 R CA -0.662 55.331 56.100 -0.179 0.000 0.945 327 R CB 1.660 31.929 30.300 -0.052 0.000 1.219 327 R HN 0.548 nan 8.270 nan 0.000 0.434 328 K N 2.111 122.493 120.400 -0.030 0.000 2.235 328 K HA 0.314 4.636 4.320 0.003 0.000 0.266 328 K C -0.711 175.891 176.600 0.003 0.000 0.980 328 K CA -0.624 55.650 56.287 -0.022 0.000 0.849 328 K CB 2.192 34.742 32.500 0.082 0.000 1.098 328 K HN 0.527 nan 8.250 nan 0.000 0.445 329 T N -0.235 114.282 114.554 -0.062 0.000 2.841 329 T HA 0.498 4.849 4.350 0.003 0.000 0.283 329 T C -0.825 173.900 174.700 0.042 0.000 1.000 329 T CA -0.563 61.538 62.100 0.001 0.000 0.977 329 T CB 1.162 70.028 68.868 -0.004 0.000 0.979 329 T HN 0.364 nan 8.240 nan 0.000 0.446 330 S N 2.330 118.090 115.700 0.100 0.000 2.538 330 S HA 0.741 5.213 4.470 0.003 0.000 0.288 330 S C -0.595 173.975 174.600 -0.050 0.000 1.108 330 S CA -0.739 57.513 58.200 0.087 0.000 0.971 330 S CB 1.511 64.824 63.200 0.188 0.000 1.041 330 S HN 1.208 nan 8.310 nan 0.000 0.483 331 V N 1.893 121.671 119.914 -0.226 0.000 2.876 331 V HA 0.872 4.993 4.120 0.003 0.000 0.312 331 V C -2.206 173.598 176.094 -0.483 0.000 1.085 331 V CA -0.583 61.607 62.300 -0.184 0.000 0.945 331 V CB 1.477 33.275 31.823 -0.042 0.000 1.017 331 V HN 0.847 nan 8.190 nan 0.000 0.428 332 Y N 3.800 124.256 120.300 0.261 0.000 2.553 332 Y HA 0.836 5.388 4.550 0.002 0.000 0.347 332 Y C -0.933 175.125 175.900 0.264 0.000 1.019 332 Y CA -0.855 57.362 58.100 0.195 0.000 1.032 332 Y CB 2.234 40.758 38.460 0.107 0.000 1.284 332 Y HN 0.910 nan 8.280 nan 0.000 0.466 333 Y N 0.312 120.730 120.300 0.197 0.000 2.424 333 Y HA 0.697 5.248 4.550 0.003 0.000 0.323 333 Y C -1.201 174.742 175.900 0.072 0.000 1.174 333 Y CA -1.261 56.909 58.100 0.116 0.000 1.060 333 Y CB 1.777 40.273 38.460 0.061 0.000 1.314 333 Y HN 0.776 nan 8.280 nan 0.000 0.439 334 G N 5.403 114.018 108.800 -0.308 0.000 2.591 334 G HA2 0.665 4.626 3.960 0.003 0.000 0.306 334 G HA3 0.665 4.626 3.960 0.003 0.000 0.306 334 G C -2.211 172.364 174.900 -0.541 0.000 1.334 334 G CA -0.875 43.982 45.100 -0.404 0.000 0.981 334 G HN 0.925 nan 8.290 nan 0.000 0.491 335 I N 1.040 121.310 120.570 -0.501 0.000 2.692 335 I HA 0.663 4.835 4.170 0.003 0.000 0.293 335 I C -1.560 174.433 176.117 -0.207 0.000 1.200 335 I CA -1.119 59.992 61.300 -0.315 0.000 1.036 335 I CB 1.979 39.830 38.000 -0.248 0.000 1.258 335 I HN 0.386 nan 8.210 nan 0.000 0.421 336 L N 6.043 127.177 121.223 -0.148 0.000 2.341 336 L HA 0.623 4.965 4.340 0.003 0.000 0.267 336 L C -0.854 175.927 176.870 -0.149 0.000 1.009 336 L CA -0.659 54.053 54.840 -0.213 0.000 0.819 336 L CB 2.098 43.993 42.059 -0.273 0.000 1.323 336 L HN 0.546 nan 8.230 nan 0.000 0.425 337 E N 1.509 121.560 120.200 -0.247 0.000 2.244 337 E HA 0.450 4.801 4.350 0.003 0.000 0.260 337 E C -1.659 174.794 176.600 -0.245 0.000 0.884 337 E CA -0.412 55.915 56.400 -0.123 0.000 0.777 337 E CB 1.924 31.589 29.700 -0.059 0.000 1.197 337 E HN 0.231 nan 8.360 nan 0.000 0.416 338 F N 1.622 121.565 119.950 -0.012 0.000 2.421 338 F HA 0.287 4.815 4.527 0.003 0.000 0.337 338 F C 0.265 176.063 175.800 -0.003 0.000 1.105 338 F CA -0.795 57.195 58.000 -0.016 0.000 1.049 338 F CB 1.187 40.178 39.000 -0.014 0.000 1.139 338 F HN 0.242 nan 8.300 nan 0.000 0.479 339 D N 4.000 124.500 120.400 0.166 0.000 2.359 339 D HA 0.270 4.912 4.640 0.003 0.000 0.230 339 D C 1.031 177.398 176.300 0.112 0.000 1.118 339 D CA -0.017 54.052 54.000 0.115 0.000 0.844 339 D CB 1.332 42.175 40.800 0.072 0.000 1.059 339 D HN 0.451 nan 8.370 nan 0.000 0.493 340 L N 2.182 123.461 121.223 0.092 0.000 2.217 340 L HA -0.043 4.298 4.340 0.003 0.000 0.211 340 L C 0.548 177.444 176.870 0.043 0.000 1.107 340 L CA 0.749 55.621 54.840 0.053 0.000 0.783 340 L CB -0.424 41.648 42.059 0.022 0.000 0.919 340 L HN 0.449 nan 8.230 nan 0.000 0.442 341 N N -3.957 114.774 118.700 0.051 0.000 3.387 341 N HA 0.177 4.919 4.740 0.003 0.000 0.294 341 N C -2.559 172.978 175.510 0.044 0.000 1.519 341 N CA -1.025 52.051 53.050 0.043 0.000 0.875 341 N CB 0.267 38.777 38.487 0.038 0.000 1.657 341 N HN -0.427 nan 8.380 nan 0.000 0.527 342 P HA 0.072 nan 4.420 nan 0.000 0.230 342 P C -0.417 176.891 177.300 0.014 0.000 1.158 342 P CA 1.029 64.146 63.100 0.028 0.000 0.769 342 P CB 0.111 31.824 31.700 0.022 0.000 0.807 343 D N -1.956 118.447 120.400 0.006 0.000 2.441 343 D HA 0.097 4.739 4.640 0.003 0.000 0.210 343 D C -0.122 176.167 176.300 -0.017 0.000 1.102 343 D CA 0.683 54.650 54.000 -0.056 0.000 0.840 343 D CB 0.865 41.590 40.800 -0.125 0.000 0.990 343 D HN 0.120 nan 8.370 nan 0.000 0.505 344 T N 1.087 115.682 114.554 0.067 0.000 2.991 344 T HA 0.451 4.802 4.350 0.003 0.000 0.303 344 T C -0.470 174.281 174.700 0.085 0.000 1.015 344 T CA -0.571 61.600 62.100 0.118 0.000 1.007 344 T CB 2.435 71.397 68.868 0.156 0.000 1.034 344 T HN -0.100 nan 8.240 nan 0.000 0.446 345 M N 4.660 124.311 119.600 0.086 0.000 2.106 345 M HA 0.654 5.135 4.480 0.003 0.000 0.288 345 M C -1.894 174.473 176.300 0.112 0.000 0.941 345 M CA -1.124 54.236 55.300 0.100 0.000 0.934 345 M CB 1.088 33.745 32.600 0.095 0.000 1.551 345 M HN 0.580 nan 8.290 nan 0.000 0.437 346 L N 5.248 126.556 121.223 0.142 0.000 2.309 346 L HA 0.761 5.102 4.340 0.003 0.000 0.282 346 L C -1.164 175.845 176.870 0.231 0.000 1.036 346 L CA 0.566 55.497 54.840 0.152 0.000 0.806 346 L CB 1.984 44.097 42.059 0.090 0.000 1.220 346 L HN 0.759 nan 8.230 nan 0.000 0.429 347 T N 5.031 119.707 114.554 0.204 0.000 2.824 347 T HA 0.646 4.997 4.350 0.003 0.000 0.282 347 T C -0.545 174.263 174.700 0.180 0.000 0.993 347 T CA -0.442 61.786 62.100 0.212 0.000 0.967 347 T CB 1.487 70.499 68.868 0.240 0.000 0.960 347 T HN 0.679 nan 8.240 nan 0.000 0.441 348 V N 0.030 120.011 119.914 0.111 0.000 2.815 348 V HA 1.097 5.219 4.120 0.003 0.000 0.314 348 V C -0.085 175.836 176.094 -0.289 0.000 1.064 348 V CA -0.702 61.569 62.300 -0.049 0.000 0.952 348 V CB 1.605 33.441 31.823 0.021 0.000 1.020 348 V HN 1.183 nan 8.190 nan 0.000 0.439 349 G N 1.147 109.535 108.800 -0.687 0.000 2.733 349 G HA2 0.862 4.823 3.960 0.003 0.000 0.297 349 G HA3 0.862 4.823 3.960 0.003 0.000 0.297 349 G C -1.104 173.347 174.900 -0.747 0.000 1.452 349 G CA -0.154 44.382 45.100 -0.940 0.000 0.940 349 G HN 1.649 nan 8.290 nan 0.000 0.547 350 A N 1.293 123.979 122.820 -0.223 0.000 2.435 350 A HA 0.970 5.291 4.320 0.003 0.000 0.304 350 A C -0.970 176.787 177.584 0.288 0.000 1.064 350 A CA -0.336 51.718 52.037 0.028 0.000 0.727 350 A CB 2.201 21.212 19.000 0.018 0.000 1.284 350 A HN 1.333 nan 8.150 nan 0.000 0.415 351 D N -1.190 119.405 120.400 0.325 0.000 2.615 351 D HA 0.601 5.242 4.640 0.003 0.000 0.267 351 D C -1.153 175.357 176.300 0.349 0.000 1.236 351 D CA -0.414 53.805 54.000 0.365 0.000 0.839 351 D CB 0.945 41.903 40.800 0.264 0.000 1.380 351 D HN 0.850 nan 8.370 nan 0.000 0.433 352 Y N -0.369 120.032 120.300 0.168 0.000 2.409 352 Y HA 0.412 4.963 4.550 0.003 0.000 0.321 352 Y C -2.172 173.809 175.900 0.135 0.000 1.209 352 Y CA -0.448 57.754 58.100 0.171 0.000 1.086 352 Y CB 1.570 40.177 38.460 0.245 0.000 1.320 352 Y HN 0.665 nan 8.280 nan 0.000 0.440 353 Q N 4.947 124.545 119.800 -0.336 0.000 2.289 353 Q HA 0.327 4.669 4.340 0.003 0.000 0.270 353 Q C -2.360 173.451 176.000 -0.316 0.000 1.038 353 Q CA -0.778 54.889 55.803 -0.227 0.000 0.812 353 Q CB 1.961 30.653 28.738 -0.076 0.000 1.300 353 Q HN 0.729 nan 8.270 nan 0.000 0.427 354 D N 2.946 123.247 120.400 -0.166 0.000 2.481 354 D HA 0.309 4.951 4.640 0.003 0.000 0.246 354 D C -1.264 175.064 176.300 0.046 0.000 1.109 354 D CA -0.315 53.662 54.000 -0.038 0.000 0.845 354 D CB 1.075 41.904 40.800 0.048 0.000 1.160 354 D HN 0.505 nan 8.370 nan 0.000 0.534 355 N N 3.055 121.801 118.700 0.077 0.000 2.444 355 N HA 0.211 4.952 4.740 0.003 0.000 0.262 355 N C -1.225 174.351 175.510 0.110 0.000 0.974 355 N CA -0.455 52.642 53.050 0.079 0.000 0.933 355 N CB 1.760 40.286 38.487 0.066 0.000 1.137 355 N HN 0.370 nan 8.380 nan 0.000 0.498 356 D N 2.846 123.295 120.400 0.081 0.000 2.375 356 D HA 0.365 5.007 4.640 0.003 0.000 0.259 356 D C -2.742 173.571 176.300 0.020 0.000 1.235 356 D CA -1.610 52.435 54.000 0.075 0.000 0.924 356 D CB 1.786 42.628 40.800 0.069 0.000 1.143 356 D HN 0.207 nan 8.370 nan 0.000 0.529 357 P HA 0.516 nan 4.420 nan 0.000 0.287 357 P C -0.968 176.259 177.300 -0.121 0.000 1.290 357 P CA -0.899 62.114 63.100 -0.146 0.000 0.889 357 P CB 1.587 33.204 31.700 -0.139 0.000 1.190 358 K N -0.163 120.086 120.400 -0.252 0.000 2.318 358 K HA 0.560 4.881 4.320 0.003 0.000 0.249 358 K C 0.761 177.250 176.600 -0.185 0.000 0.942 358 K CA -0.495 55.718 56.287 -0.124 0.000 0.808 358 K CB 1.313 33.764 32.500 -0.082 0.000 1.189 358 K HN 0.807 nan 8.250 nan 0.000 0.428 359 G N 0.951 109.734 108.800 -0.028 0.000 2.153 359 G HA2 -0.279 3.683 3.960 0.003 0.000 0.252 359 G HA3 -0.279 3.683 3.960 0.003 0.000 0.252 359 G C 0.017 175.021 174.900 0.174 0.000 0.994 359 G CA 0.399 45.531 45.100 0.052 0.000 0.698 359 G HN 0.442 nan 8.290 nan 0.000 0.521 360 S N 0.677 116.492 115.700 0.191 0.000 2.626 360 S HA 0.424 4.896 4.470 0.003 0.000 0.303 360 S C 1.295 176.047 174.600 0.255 0.000 1.256 360 S CA 0.474 58.863 58.200 0.316 0.000 1.069 360 S CB 0.750 64.125 63.200 0.291 0.000 0.807 360 S HN 1.242 nan 8.310 nan 0.000 0.500 361 G N 1.536 110.482 108.800 0.244 0.000 2.588 361 G HA2 0.490 4.451 3.960 0.003 0.000 0.281 361 G HA3 0.490 4.451 3.960 0.003 0.000 0.281 361 G C -1.235 173.908 174.900 0.405 0.000 1.236 361 G CA -0.408 44.854 45.100 0.270 0.000 0.969 361 G HN 0.646 nan 8.290 nan 0.000 0.504 362 W N -0.347 121.063 121.300 0.183 0.000 3.256 362 W HA 0.455 5.116 4.660 0.003 0.000 0.324 362 W C 0.227 176.846 176.519 0.167 0.000 1.196 362 W CA -0.608 56.865 57.345 0.214 0.000 1.206 362 W CB 0.756 30.333 29.460 0.195 0.000 1.385 362 W HN 1.420 nan 8.180 nan 0.000 0.522 363 S N 2.942 118.865 115.700 0.372 0.000 3.272 363 S HA 0.213 4.685 4.470 0.003 0.000 0.355 363 S C 0.404 175.114 174.600 0.184 0.000 0.875 363 S CA 1.690 60.005 58.200 0.192 0.000 1.357 363 S CB -1.843 61.052 63.200 -0.508 0.000 1.069 363 S HN 2.471 nan 8.310 nan 0.000 0.561 364 G N 2.492 111.489 108.800 0.329 0.000 2.804 364 G HA2 -0.092 3.869 3.960 0.003 0.000 0.230 364 G HA3 -0.092 3.869 3.960 0.003 0.000 0.230 364 G C 0.532 175.463 174.900 0.051 0.000 1.386 364 G CA -0.007 45.151 45.100 0.097 0.000 0.875 364 G HN 1.659 nan 8.290 nan 0.000 0.557 365 S N -0.499 115.152 115.700 -0.081 0.000 2.512 365 S HA 0.541 5.012 4.470 0.003 0.000 0.216 365 S C 0.046 174.851 174.600 0.341 0.000 1.006 365 S CA 1.262 59.533 58.200 0.117 0.000 0.915 365 S CB -0.040 63.255 63.200 0.159 0.000 0.824 365 S HN 1.394 nan 8.310 nan 0.000 0.497 366 F N -0.589 119.459 119.950 0.164 0.000 2.746 366 F HA 0.562 5.091 4.527 0.002 0.000 0.311 366 F C -3.477 172.329 175.800 0.010 0.000 1.135 366 F CA -2.267 55.818 58.000 0.142 0.000 0.954 366 F CB 0.532 39.523 39.000 -0.016 0.000 1.276 366 F HN -0.297 nan 8.300 nan 0.000 0.440 367 P HA 0.277 nan 4.420 nan 0.000 0.280 367 P C 0.680 177.971 177.300 -0.015 0.000 1.244 367 P CA -0.364 62.746 63.100 0.017 0.000 0.784 367 P CB 1.877 33.599 31.700 0.037 0.000 0.913 368 L N 1.701 122.745 121.223 -0.298 0.000 2.021 368 L HA -0.159 4.183 4.340 0.003 0.000 0.215 368 L C 0.733 177.244 176.870 -0.598 0.000 1.074 368 L CA 1.835 56.321 54.840 -0.591 0.000 0.760 368 L CB -0.562 40.806 42.059 -1.152 0.000 0.889 368 L HN 0.310 nan 8.230 nan 0.000 0.433 369 F N -0.433 119.474 119.950 -0.072 0.000 2.508 369 F HA 0.254 4.783 4.527 0.003 0.000 0.325 369 F C 0.462 176.163 175.800 -0.165 0.000 1.090 369 F CA -2.055 55.885 58.000 -0.099 0.000 0.945 369 F CB 0.780 39.702 39.000 -0.130 0.000 1.156 369 F HN -0.051 nan 8.300 nan 0.000 0.463 370 D N -0.165 120.246 120.400 0.017 0.000 2.376 370 D HA 0.044 4.685 4.640 0.003 0.000 0.268 370 D C 1.355 177.559 176.300 -0.159 0.000 1.252 370 D CA 0.120 54.046 54.000 -0.123 0.000 1.041 370 D CB -0.149 40.574 40.800 -0.128 0.000 1.109 370 D HN 0.416 nan 8.370 nan 0.000 0.552 371 S N -1.768 113.823 115.700 -0.182 0.000 2.481 371 S HA -0.154 4.318 4.470 0.003 0.000 0.231 371 S C 1.501 175.988 174.600 -0.188 0.000 0.996 371 S CA 0.794 58.847 58.200 -0.245 0.000 0.942 371 S CB -0.412 62.690 63.200 -0.163 0.000 0.768 371 S HN 0.535 nan 8.310 nan 0.000 0.520 372 Q N -0.064 119.656 119.800 -0.132 0.000 2.378 372 Q HA 0.328 4.669 4.340 0.003 0.000 0.216 372 Q C 1.207 177.121 176.000 -0.142 0.000 0.892 372 Q CA 0.368 56.100 55.803 -0.119 0.000 0.931 372 Q CB 0.571 29.263 28.738 -0.077 0.000 1.086 372 Q HN 0.773 nan 8.270 nan 0.000 0.528 373 G N 1.137 109.855 108.800 -0.136 0.000 2.163 373 G HA2 -0.170 3.791 3.960 0.003 0.000 0.213 373 G HA3 -0.170 3.791 3.960 0.003 0.000 0.213 373 G C -0.127 174.752 174.900 -0.036 0.000 0.991 373 G CA -0.393 44.586 45.100 -0.202 0.000 0.653 373 G HN 0.178 nan 8.290 nan 0.000 0.518 374 N N 0.344 119.072 118.700 0.047 0.000 2.445 374 N HA 0.332 5.074 4.740 0.003 0.000 0.264 374 N C 0.504 176.150 175.510 0.227 0.000 1.227 374 N CA -0.256 52.853 53.050 0.099 0.000 0.963 374 N CB 0.578 39.088 38.487 0.039 0.000 1.188 374 N HN 0.281 nan 8.380 nan 0.000 0.491 375 R N 1.059 121.674 120.500 0.191 0.000 2.491 375 R HA 0.129 4.470 4.340 0.003 0.000 0.283 375 R C -0.122 176.212 176.300 0.056 0.000 1.072 375 R CA -0.303 55.885 56.100 0.146 0.000 1.048 375 R CB 0.351 30.738 30.300 0.145 0.000 0.983 375 R HN 0.424 nan 8.270 nan 0.000 0.450 376 N N 1.615 120.314 118.700 -0.001 0.000 2.514 376 N HA 0.020 4.761 4.740 0.003 0.000 0.277 376 N C -1.014 174.462 175.510 -0.057 0.000 1.126 376 N CA 0.174 53.205 53.050 -0.031 0.000 0.978 376 N CB 1.079 39.544 38.487 -0.036 0.000 1.106 376 N HN 0.406 nan 8.380 nan 0.000 0.461 377 D N 1.807 122.171 120.400 -0.060 0.000 2.461 377 D HA 0.328 4.970 4.640 0.003 0.000 0.240 377 D C -1.054 175.169 176.300 -0.129 0.000 1.094 377 D CA -0.423 53.540 54.000 -0.061 0.000 0.868 377 D CB 0.566 41.372 40.800 0.010 0.000 1.062 377 D HN 0.185 nan 8.370 nan 0.000 0.530 378 V N 0.675 120.430 119.914 -0.266 0.000 2.735 378 V HA 0.625 4.747 4.120 0.003 0.000 0.310 378 V C 0.621 176.676 176.094 -0.065 0.000 1.061 378 V CA -1.054 61.083 62.300 -0.271 0.000 0.913 378 V CB 1.639 33.054 31.823 -0.679 0.000 1.005 378 V HN 0.346 nan 8.190 nan 0.000 0.428 379 S N 2.050 117.766 115.700 0.026 0.000 2.550 379 S HA 0.088 4.560 4.470 0.003 0.000 0.285 379 S C 1.414 176.052 174.600 0.063 0.000 1.326 379 S CA -0.015 58.208 58.200 0.038 0.000 1.037 379 S CB 0.257 63.504 63.200 0.079 0.000 0.838 379 S HN 0.835 nan 8.310 nan 0.000 0.519 380 R N 1.319 121.699 120.500 -0.201 0.000 2.127 380 R HA -0.115 4.227 4.340 0.003 0.000 0.238 380 R C 2.301 178.733 176.300 0.221 0.000 1.134 380 R CA 1.578 57.456 56.100 -0.371 0.000 0.975 380 R CB -0.422 29.446 30.300 -0.721 0.000 0.865 380 R HN 0.768 nan 8.270 nan 0.000 0.447 381 S N -0.092 115.704 115.700 0.160 0.000 2.607 381 S HA -0.049 4.423 4.470 0.003 0.000 0.224 381 S C 0.416 175.091 174.600 0.126 0.000 0.969 381 S CA -0.215 58.060 58.200 0.125 0.000 0.927 381 S CB -0.298 62.941 63.200 0.066 0.000 0.772 381 S HN 0.190 nan 8.310 nan 0.000 0.533 382 F N 3.330 123.353 119.950 0.121 0.000 2.443 382 F HA 0.550 5.079 4.527 0.003 0.000 0.353 382 F C 0.042 175.954 175.800 0.187 0.000 1.101 382 F CA -0.690 57.394 58.000 0.141 0.000 1.226 382 F CB 0.633 39.696 39.000 0.104 0.000 1.140 382 F HN 0.122 nan 8.300 nan 0.000 0.557 383 N N 4.614 123.069 118.700 -0.409 0.000 2.549 383 N HA 0.129 4.871 4.740 0.003 0.000 0.281 383 N C 0.095 175.679 175.510 0.123 0.000 1.084 383 N CA -0.710 52.279 53.050 -0.101 0.000 0.862 383 N CB 0.387 38.647 38.487 -0.378 0.000 1.333 383 N HN 0.629 nan 8.380 nan 0.000 0.523 384 N N 1.684 120.601 118.700 0.363 0.000 2.348 384 N HA -0.065 4.677 4.740 0.003 0.000 0.185 384 N C 0.805 176.606 175.510 0.485 0.000 1.019 384 N CA 0.748 54.035 53.050 0.396 0.000 0.880 384 N CB -0.611 38.092 38.487 0.361 0.000 0.965 384 N HN 0.468 nan 8.380 nan 0.000 0.437 385 G N -0.476 108.606 108.800 0.471 0.000 2.527 385 G HA2 0.507 4.469 3.960 0.003 0.000 0.248 385 G HA3 0.507 4.469 3.960 0.003 0.000 0.248 385 G C -0.225 174.900 174.900 0.375 0.000 1.231 385 G CA 0.001 45.317 45.100 0.361 0.000 0.838 385 G HN 0.499 nan 8.290 nan 0.000 0.570 386 A N 1.385 124.213 122.820 0.012 0.000 2.407 386 A HA 0.320 4.642 4.320 0.003 0.000 0.248 386 A C 1.604 178.914 177.584 -0.457 0.000 1.082 386 A CA -0.179 51.622 52.037 -0.392 0.000 0.785 386 A CB 0.418 18.717 19.000 -1.169 0.000 1.020 386 A HN 0.789 nan 8.150 nan 0.000 0.489 387 K N 1.130 121.273 120.400 -0.428 0.000 2.189 387 K HA -0.179 4.143 4.320 0.003 0.000 0.207 387 K C 1.279 177.858 176.600 -0.035 0.000 1.046 387 K CA 2.333 58.510 56.287 -0.183 0.000 0.928 387 K CB -0.151 32.256 32.500 -0.155 0.000 0.720 387 K HN 0.996 nan 8.250 nan 0.000 0.458 388 W N 0.096 121.439 121.300 0.073 0.000 3.290 388 W HA 0.240 4.902 4.660 0.002 0.000 0.287 388 W C 0.254 176.847 176.519 0.124 0.000 1.288 388 W CA -0.508 56.891 57.345 0.089 0.000 1.725 388 W CB -0.438 29.081 29.460 0.098 0.000 1.103 388 W HN -0.176 nan 8.180 nan 0.000 0.670 389 S N 2.221 117.870 115.700 -0.084 0.000 2.528 389 S HA 0.310 4.782 4.470 0.003 0.000 0.277 389 S C -0.267 174.412 174.600 0.133 0.000 1.297 389 S CA 0.031 58.234 58.200 0.006 0.000 1.052 389 S CB 1.071 64.148 63.200 -0.204 0.000 0.917 389 S HN 0.180 nan 8.310 nan 0.000 0.492 390 S N 5.888 121.696 115.700 0.180 0.000 2.720 390 S HA 0.369 4.840 4.470 0.003 0.000 0.278 390 S C -1.300 173.414 174.600 0.190 0.000 1.172 390 S CA -0.617 57.689 58.200 0.177 0.000 1.019 390 S CB 0.627 63.940 63.200 0.189 0.000 1.049 390 S HN 0.874 nan 8.310 nan 0.000 0.483 391 W N 6.155 127.485 121.300 0.049 0.000 1.789 391 W HA 0.334 4.995 4.660 0.002 0.000 0.333 391 W C 0.185 176.760 176.519 0.094 0.000 0.724 391 W CA -0.795 56.570 57.345 0.032 0.000 2.024 391 W CB -0.344 29.102 29.460 -0.024 0.000 2.064 391 W HN 0.786 nan 8.180 nan 0.000 0.390 392 E N 2.165 122.604 120.200 0.397 0.000 2.481 392 E HA -0.083 4.269 4.350 0.003 0.000 0.263 392 E C -0.725 176.154 176.600 0.466 0.000 0.992 392 E CA 1.040 57.660 56.400 0.367 0.000 0.938 392 E CB 0.725 30.610 29.700 0.308 0.000 0.933 392 E HN 0.373 nan 8.360 nan 0.000 0.453 393 Q N 2.613 122.633 119.800 0.367 0.000 2.268 393 Q HA 0.312 4.653 4.340 0.003 0.000 0.266 393 Q C -1.649 174.469 176.000 0.196 0.000 1.006 393 Q CA -0.701 55.268 55.803 0.276 0.000 0.824 393 Q CB 1.887 30.719 28.738 0.156 0.000 1.306 393 Q HN 0.508 nan 8.270 nan 0.000 0.424 394 Y N -1.461 118.846 120.300 0.012 0.000 2.479 394 Y HA 0.791 5.342 4.550 0.003 0.000 0.338 394 Y C -0.915 174.905 175.900 -0.133 0.000 1.055 394 Y CA -0.972 57.066 58.100 -0.104 0.000 1.023 394 Y CB 1.405 39.789 38.460 -0.126 0.000 1.287 394 Y HN 0.484 nan 8.280 nan 0.000 0.447 395 T N 0.827 115.286 114.554 -0.157 0.000 2.930 395 T HA 0.943 5.295 4.350 0.003 0.000 0.290 395 T C -0.917 173.712 174.700 -0.119 0.000 1.052 395 T CA -1.113 60.878 62.100 -0.182 0.000 1.017 395 T CB 2.360 71.111 68.868 -0.195 0.000 1.137 395 T HN 1.167 nan 8.240 nan 0.000 0.511 396 R N -0.507 119.962 120.500 -0.052 0.000 2.633 396 R HA 0.616 4.957 4.340 0.003 0.000 0.255 396 R C -1.720 174.606 176.300 0.043 0.000 1.106 396 R CA -0.872 55.266 56.100 0.064 0.000 0.959 396 R CB 0.863 31.295 30.300 0.220 0.000 1.259 396 R HN 0.692 nan 8.270 nan 0.000 0.453 397 T N 1.194 115.820 114.554 0.121 0.000 2.893 397 T HA 0.637 4.989 4.350 0.003 0.000 0.291 397 T C -0.826 174.016 174.700 0.236 0.000 1.028 397 T CA -0.880 61.322 62.100 0.169 0.000 0.995 397 T CB 2.144 71.150 68.868 0.230 0.000 1.051 397 T HN 0.359 nan 8.240 nan 0.000 0.470 398 V N 3.420 123.487 119.914 0.254 0.000 2.525 398 V HA 0.779 4.900 4.120 0.003 0.000 0.299 398 V C -1.058 175.189 176.094 0.256 0.000 1.034 398 V CA -0.983 61.418 62.300 0.167 0.000 0.863 398 V CB 0.841 32.774 31.823 0.183 0.000 0.999 398 V HN 0.937 nan 8.190 nan 0.000 0.423 399 F N 2.240 122.281 119.950 0.152 0.000 2.626 399 F HA 1.035 5.563 4.527 0.003 0.000 0.311 399 F C -0.366 175.509 175.800 0.125 0.000 1.088 399 F CA -1.291 56.795 58.000 0.143 0.000 0.949 399 F CB 1.755 40.845 39.000 0.151 0.000 1.322 399 F HN 0.651 nan 8.300 nan 0.000 0.461 400 A N 1.774 124.819 122.820 0.375 0.000 2.475 400 A HA 0.824 5.145 4.320 0.003 0.000 0.301 400 A C -1.887 175.860 177.584 0.272 0.000 1.059 400 A CA -0.893 51.298 52.037 0.257 0.000 0.710 400 A CB 1.666 20.743 19.000 0.129 0.000 1.288 400 A HN 0.869 nan 8.150 nan 0.000 0.408 401 N N -0.180 118.656 118.700 0.227 0.000 2.397 401 N HA 0.585 5.326 4.740 0.003 0.000 0.291 401 N C -1.762 173.824 175.510 0.127 0.000 1.065 401 N CA -0.317 52.841 53.050 0.179 0.000 0.884 401 N CB 2.198 40.810 38.487 0.209 0.000 1.551 401 N HN 0.479 nan 8.380 nan 0.000 0.487 402 L N 2.159 123.432 121.223 0.084 0.000 2.372 402 L HA 0.501 4.843 4.340 0.003 0.000 0.274 402 L C -1.095 175.803 176.870 0.047 0.000 0.988 402 L CA -0.635 54.242 54.840 0.061 0.000 0.833 402 L CB 1.193 43.273 42.059 0.036 0.000 1.236 402 L HN 0.607 nan 8.230 nan 0.000 0.410 403 E N 2.788 123.024 120.200 0.059 0.000 2.210 403 E HA 0.498 4.850 4.350 0.003 0.000 0.266 403 E C -1.338 175.305 176.600 0.072 0.000 0.883 403 E CA -0.868 55.563 56.400 0.052 0.000 0.761 403 E CB 2.116 31.844 29.700 0.047 0.000 1.156 403 E HN 0.543 nan 8.360 nan 0.000 0.412 404 H N 1.785 120.800 119.070 -0.091 0.000 2.495 404 H HA 0.390 4.948 4.556 0.002 0.000 0.348 404 H C -1.166 174.001 175.328 -0.268 0.000 1.113 404 H CA -0.937 54.971 56.048 -0.234 0.000 1.195 404 H CB 1.215 30.733 29.762 -0.406 0.000 1.521 404 H HN 0.369 nan 8.280 nan 0.000 0.509 405 N N 3.575 121.836 118.700 -0.731 0.000 2.455 405 N HA 0.168 4.910 4.740 0.003 0.000 0.280 405 N C -1.226 173.804 175.510 -0.800 0.000 1.055 405 N CA -0.225 52.522 53.050 -0.505 0.000 0.961 405 N CB 0.333 38.675 38.487 -0.241 0.000 1.121 405 N HN 0.363 nan 8.380 nan 0.000 0.476 406 F N 1.009 120.864 119.950 -0.159 0.000 2.391 406 F HA 0.382 4.911 4.527 0.003 0.000 0.359 406 F C 0.956 176.758 175.800 0.003 0.000 1.122 406 F CA -1.129 56.841 58.000 -0.051 0.000 1.120 406 F CB 0.797 39.843 39.000 0.077 0.000 1.142 406 F HN 0.411 nan 8.300 nan 0.000 0.483 407 A N 3.506 126.397 122.820 0.118 0.000 2.594 407 A HA 0.146 4.467 4.320 0.003 0.000 0.291 407 A C 0.905 178.575 177.584 0.142 0.000 1.374 407 A CA 0.821 52.917 52.037 0.098 0.000 1.025 407 A CB -0.616 18.424 19.000 0.067 0.000 1.072 407 A HN 0.928 nan 8.150 nan 0.000 0.555 408 N N -0.097 118.701 118.700 0.162 0.000 2.476 408 N HA 0.013 4.754 4.740 0.003 0.000 0.327 408 N C 0.922 176.584 175.510 0.253 0.000 0.880 408 N CA 1.599 54.769 53.050 0.201 0.000 1.291 408 N CB -0.622 38.008 38.487 0.237 0.000 2.379 408 N HN 1.318 nan 8.380 nan 0.000 1.159 409 G N -0.406 108.533 108.800 0.233 0.000 2.313 409 G HA2 -0.231 3.730 3.960 0.003 0.000 0.215 409 G HA3 -0.231 3.730 3.960 0.003 0.000 0.215 409 G C -0.250 174.769 174.900 0.200 0.000 1.023 409 G CA 0.032 45.243 45.100 0.184 0.000 0.626 409 G HN 0.139 nan 8.290 nan 0.000 0.503 410 W N 0.652 122.013 121.300 0.102 0.000 2.170 410 W HA 0.585 5.247 4.660 0.002 0.000 0.336 410 W C 0.508 177.176 176.519 0.247 0.000 1.283 410 W CA 0.564 57.980 57.345 0.118 0.000 1.224 410 W CB 1.201 30.669 29.460 0.013 0.000 1.132 410 W HN 0.534 nan 8.180 nan 0.000 0.571 411 V N 2.960 123.116 119.914 0.403 0.000 2.841 411 V HA 0.959 5.081 4.120 0.003 0.000 0.310 411 V C -0.554 175.770 176.094 0.384 0.000 1.090 411 V CA -0.753 61.767 62.300 0.366 0.000 0.930 411 V CB 1.753 33.676 31.823 0.167 0.000 1.014 411 V HN 0.630 nan 8.190 nan 0.000 0.425 412 G N 4.064 113.098 108.800 0.391 0.000 2.643 412 G HA2 0.624 4.585 3.960 0.003 0.000 0.305 412 G HA3 0.624 4.585 3.960 0.003 0.000 0.305 412 G C -1.585 173.328 174.900 0.021 0.000 1.387 412 G CA -0.766 44.492 45.100 0.262 0.000 0.982 412 G HN 0.896 nan 8.290 nan 0.000 0.501 413 K N 1.286 121.496 120.400 -0.318 0.000 2.259 413 K HA 0.698 5.020 4.320 0.003 0.000 0.252 413 K C -1.170 175.271 176.600 -0.265 0.000 0.936 413 K CA -0.632 55.438 56.287 -0.362 0.000 0.810 413 K CB 2.570 34.726 32.500 -0.574 0.000 1.143 413 K HN 0.268 nan 8.250 nan 0.000 0.427 414 V N 4.333 124.196 119.914 -0.085 0.000 2.444 414 V HA 0.312 4.434 4.120 0.003 0.000 0.294 414 V C -0.999 175.125 176.094 0.050 0.000 1.022 414 V CA -0.651 61.647 62.300 -0.003 0.000 0.850 414 V CB 1.710 33.547 31.823 0.023 0.000 0.992 414 V HN 0.770 nan 8.190 nan 0.000 0.426 415 Q N 4.834 124.687 119.800 0.088 0.000 2.330 415 Q HA 0.631 4.972 4.340 0.003 0.000 0.269 415 Q C -1.404 174.685 176.000 0.149 0.000 1.022 415 Q CA -0.625 55.257 55.803 0.132 0.000 0.796 415 Q CB 3.114 31.939 28.738 0.146 0.000 1.271 415 Q HN 0.563 nan 8.270 nan 0.000 0.450 416 L N 2.354 123.681 121.223 0.175 0.000 2.333 416 L HA 0.441 4.783 4.340 0.003 0.000 0.280 416 L C -1.116 175.897 176.870 0.238 0.000 1.004 416 L CA -0.373 54.576 54.840 0.181 0.000 0.820 416 L CB 1.628 43.776 42.059 0.149 0.000 1.247 416 L HN 0.534 nan 8.230 nan 0.000 0.416 417 D N 1.102 121.639 120.400 0.229 0.000 2.505 417 D HA 0.280 4.921 4.640 0.003 0.000 0.249 417 D C -1.179 175.299 176.300 0.296 0.000 1.082 417 D CA -0.172 53.986 54.000 0.264 0.000 0.839 417 D CB 1.314 42.238 40.800 0.206 0.000 1.317 417 D HN 0.371 nan 8.370 nan 0.000 0.497 418 H N 2.804 121.981 119.070 0.178 0.000 2.762 418 H HA 0.410 4.967 4.556 0.002 0.000 0.310 418 H C -1.121 174.287 175.328 0.133 0.000 1.004 418 H CA -0.852 55.280 56.048 0.140 0.000 1.267 418 H CB 1.021 30.854 29.762 0.119 0.000 1.437 418 H HN 0.155 nan 8.280 nan 0.000 0.498 419 K N 5.697 126.060 120.400 -0.062 0.000 2.345 419 K HA 0.424 4.746 4.320 0.003 0.000 0.255 419 K C -1.544 174.959 176.600 -0.163 0.000 0.934 419 K CA -0.566 55.664 56.287 -0.096 0.000 0.801 419 K CB 1.312 33.793 32.500 -0.031 0.000 1.137 419 K HN 0.493 nan 8.250 nan 0.000 0.424 420 I N 3.629 124.100 120.570 -0.166 0.000 2.404 420 I HA 0.338 4.509 4.170 0.003 0.000 0.293 420 I C -0.883 175.128 176.117 -0.176 0.000 0.992 420 I CA -1.000 60.214 61.300 -0.143 0.000 1.149 420 I CB 1.934 39.878 38.000 -0.094 0.000 1.315 420 I HN 0.638 nan 8.210 nan 0.000 0.446 421 N N 3.866 122.450 118.700 -0.193 0.000 2.442 421 N HA 0.639 5.380 4.740 0.003 0.000 0.274 421 N C -0.536 174.770 175.510 -0.340 0.000 1.002 421 N CA -0.366 52.528 53.050 -0.260 0.000 0.910 421 N CB 2.165 40.545 38.487 -0.178 0.000 1.244 421 N HN 0.728 nan 8.380 nan 0.000 0.492 422 G N 0.719 109.090 108.800 -0.716 0.000 2.533 422 G HA2 0.626 4.588 3.960 0.003 0.000 0.304 422 G HA3 0.626 4.588 3.960 0.003 0.000 0.304 422 G C -1.668 172.952 174.900 -0.467 0.000 1.263 422 G CA -0.553 44.043 45.100 -0.839 0.000 0.964 422 G HN 0.449 nan 8.290 nan 0.000 0.479 423 Y N -0.674 119.589 120.300 -0.060 0.000 2.512 423 Y HA 0.758 5.309 4.550 0.003 0.000 0.348 423 Y C -0.777 175.284 175.900 0.268 0.000 0.990 423 Y CA -1.682 56.519 58.100 0.168 0.000 1.033 423 Y CB 2.074 40.654 38.460 0.200 0.000 1.259 423 Y HN 0.638 nan 8.280 nan 0.000 0.461 424 H N 2.628 121.853 119.070 0.258 0.000 2.974 424 H HA 0.687 5.245 4.556 0.003 0.000 0.285 424 H C -1.888 173.429 175.328 -0.018 0.000 1.227 424 H CA -0.450 55.642 56.048 0.073 0.000 1.569 424 H CB 1.001 30.801 29.762 0.065 0.000 1.648 424 H HN 1.073 nan 8.280 nan 0.000 0.521 425 A N 6.751 129.378 122.820 -0.322 0.000 2.978 425 A HA 0.338 4.659 4.320 0.003 0.000 0.341 425 A C -2.767 174.489 177.584 -0.547 0.000 1.105 425 A CA -1.492 50.268 52.037 -0.462 0.000 0.819 425 A CB 0.420 18.787 19.000 -1.055 0.000 1.080 425 A HN 0.408 nan 8.150 nan 0.000 0.476 426 P HA 0.178 nan 4.420 nan 0.000 0.266 426 P C -0.471 176.808 177.300 -0.036 0.000 1.419 426 P CA 0.527 63.315 63.100 -0.520 0.000 1.112 426 P CB 0.107 31.598 31.700 -0.349 0.000 1.438 427 L N 2.455 123.591 121.223 -0.145 0.000 2.379 427 L HA 0.818 5.159 4.340 0.003 0.000 0.269 427 L C 1.079 178.170 176.870 0.367 0.000 1.084 427 L CA -0.333 54.475 54.840 -0.053 0.000 0.802 427 L CB 1.378 43.003 42.059 -0.722 0.000 1.175 427 L HN 0.292 nan 8.230 nan 0.000 0.448 428 G N 0.924 109.865 108.800 0.236 0.000 2.734 428 G HA2 0.718 4.680 3.960 0.003 0.000 0.293 428 G HA3 0.718 4.680 3.960 0.003 0.000 0.293 428 G C -1.688 173.324 174.900 0.187 0.000 1.422 428 G CA -0.078 45.194 45.100 0.287 0.000 1.177 428 G HN 0.838 nan 8.290 nan 0.000 0.565 429 A N 1.928 124.947 122.820 0.332 0.000 2.609 429 A HA 0.806 5.128 4.320 0.003 0.000 0.291 429 A C -0.787 176.882 177.584 0.142 0.000 1.096 429 A CA -0.755 51.440 52.037 0.264 0.000 0.684 429 A CB 1.003 20.217 19.000 0.357 0.000 1.282 429 A HN 0.780 nan 8.150 nan 0.000 0.412 430 I N 1.901 122.480 120.570 0.015 0.000 2.452 430 I HA 0.371 4.543 4.170 0.003 0.000 0.287 430 I C 0.306 176.485 176.117 0.104 0.000 1.079 430 I CA 0.504 61.773 61.300 -0.051 0.000 1.387 430 I CB 0.390 38.294 38.000 -0.161 0.000 1.404 430 I HN 0.785 nan 8.210 nan 0.000 0.522 431 M N 5.255 124.943 119.600 0.146 0.000 2.569 431 M HA 0.888 5.369 4.480 0.003 0.000 0.279 431 M C -0.331 176.105 176.300 0.226 0.000 1.253 431 M CA -0.394 54.975 55.300 0.115 0.000 0.867 431 M CB 2.558 35.093 32.600 -0.109 0.000 1.727 431 M HN 0.663 nan 8.290 nan 0.000 0.467 432 G N 1.073 109.883 108.800 0.018 0.000 2.396 432 G HA2 -0.048 3.913 3.960 0.003 0.000 0.254 432 G HA3 -0.048 3.913 3.960 0.003 0.000 0.254 432 G C -1.814 172.820 174.900 -0.444 0.000 1.248 432 G CA -0.493 44.478 45.100 -0.215 0.000 1.033 432 G HN 0.838 nan 8.290 nan 0.000 0.502 433 D N 1.178 121.088 120.400 -0.817 0.000 2.522 433 D HA 0.423 5.065 4.640 0.003 0.000 0.218 433 D C -0.487 175.285 176.300 -0.879 0.000 1.149 433 D CA 0.432 54.041 54.000 -0.652 0.000 0.981 433 D CB -0.119 40.379 40.800 -0.505 0.000 1.041 433 D HN 0.349 nan 8.370 nan 0.000 0.518 434 W N 1.752 122.939 121.300 -0.189 0.000 2.719 434 W HA 0.379 5.040 4.660 0.003 0.000 0.352 434 W C -2.060 174.075 176.519 -0.640 0.000 1.085 434 W CA -2.035 55.107 57.345 -0.338 0.000 1.187 434 W CB 0.998 30.283 29.460 -0.293 0.000 1.417 434 W HN 0.024 nan 8.180 nan 0.000 0.557 435 P HA 0.338 nan 4.420 nan 0.000 0.280 435 P C -0.558 176.784 177.300 0.070 0.000 1.272 435 P CA -0.312 62.709 63.100 -0.131 0.000 0.819 435 P CB 0.679 32.224 31.700 -0.259 0.000 1.122 436 A N 2.044 124.998 122.820 0.222 0.000 2.310 436 A HA 0.325 4.647 4.320 0.003 0.000 0.260 436 A C -1.222 176.397 177.584 0.059 0.000 1.112 436 A CA -0.980 51.150 52.037 0.154 0.000 0.804 436 A CB -1.243 17.883 19.000 0.209 0.000 1.081 436 A HN 0.454 nan 8.150 nan 0.000 0.499 437 P HA -0.112 nan 4.420 nan 0.000 0.222 437 P C 0.122 177.443 177.300 0.034 0.000 1.147 437 P CA 1.354 64.468 63.100 0.023 0.000 0.790 437 P CB -0.137 31.571 31.700 0.014 0.000 0.780 438 D N -1.336 119.090 120.400 0.043 0.000 2.370 438 D HA -0.005 4.637 4.640 0.003 0.000 0.230 438 D C 0.455 176.789 176.300 0.057 0.000 1.143 438 D CA -0.708 53.318 54.000 0.044 0.000 0.834 438 D CB -1.347 39.475 40.800 0.036 0.000 0.944 438 D HN -0.018 nan 8.370 nan 0.000 0.504 439 N N -0.313 118.428 118.700 0.068 0.000 2.782 439 N HA -0.214 4.528 4.740 0.003 0.000 0.251 439 N C -0.973 174.606 175.510 0.115 0.000 1.101 439 N CA 1.030 54.144 53.050 0.106 0.000 0.764 439 N CB -1.447 37.114 38.487 0.124 0.000 1.122 439 N HN 0.422 nan 8.380 nan 0.000 0.561 440 S N -1.337 114.400 115.700 0.061 0.000 2.745 440 S HA 0.953 5.424 4.470 0.003 0.000 0.292 440 S C 0.008 174.540 174.600 -0.114 0.000 1.133 440 S CA -0.199 57.998 58.200 -0.004 0.000 0.998 440 S CB 2.447 65.620 63.200 -0.045 0.000 1.087 440 S HN 0.880 nan 8.310 nan 0.000 0.551 441 A N 0.477 123.088 122.820 -0.348 0.000 2.604 441 A HA 0.703 5.024 4.320 0.003 0.000 0.295 441 A C -1.476 175.487 177.584 -1.036 0.000 1.067 441 A CA -1.053 50.475 52.037 -0.848 0.000 0.683 441 A CB 1.175 19.959 19.000 -0.360 0.000 1.281 441 A HN 0.735 nan 8.150 nan 0.000 0.407 442 K N 1.313 120.730 120.400 -1.639 0.000 2.182 442 K HA 0.589 4.910 4.320 0.003 0.000 0.262 442 K C -0.706 175.646 176.600 -0.413 0.000 0.957 442 K CA -0.756 55.065 56.287 -0.776 0.000 0.842 442 K CB 1.565 33.757 32.500 -0.514 0.000 1.099 442 K HN 0.483 nan 8.250 nan 0.000 0.438 443 I N 2.352 122.817 120.570 -0.175 0.000 2.662 443 I HA 0.161 4.332 4.170 0.003 0.000 0.291 443 I C 0.100 176.303 176.117 0.144 0.000 1.046 443 I CA -0.701 60.609 61.300 0.017 0.000 1.361 443 I CB 1.275 39.378 38.000 0.171 0.000 1.429 443 I HN 0.266 nan 8.210 nan 0.000 0.558 444 V N 4.915 124.950 119.914 0.201 0.000 2.409 444 V HA 0.704 4.826 4.120 0.003 0.000 0.291 444 V C -0.004 176.346 176.094 0.426 0.000 1.020 444 V CA -0.622 61.826 62.300 0.245 0.000 0.848 444 V CB 1.510 33.394 31.823 0.101 0.000 0.990 444 V HN 0.885 nan 8.190 nan 0.000 0.430 445 A N 5.341 128.447 122.820 0.476 0.000 2.343 445 A HA 0.889 5.211 4.320 0.003 0.000 0.308 445 A C -0.730 177.252 177.584 0.663 0.000 1.092 445 A CA -0.530 51.873 52.037 0.610 0.000 0.751 445 A CB 1.372 20.652 19.000 0.468 0.000 1.203 445 A HN 0.761 nan 8.150 nan 0.000 0.452 446 Q N 1.217 121.440 119.800 0.704 0.000 2.309 446 Q HA 0.354 4.696 4.340 0.003 0.000 0.273 446 Q C -1.182 174.686 176.000 -0.220 0.000 1.040 446 Q CA -0.741 55.300 55.803 0.398 0.000 0.834 446 Q CB 3.008 31.987 28.738 0.401 0.000 1.345 446 Q HN 0.673 nan 8.270 nan 0.000 0.414 447 K N 1.764 121.774 120.400 -0.651 0.000 2.138 447 K HA 0.506 4.828 4.320 0.003 0.000 0.263 447 K C -1.571 174.510 176.600 -0.864 0.000 0.965 447 K CA -0.434 55.208 56.287 -1.075 0.000 0.868 447 K CB 0.931 32.407 32.500 -1.708 0.000 1.083 447 K HN 0.563 nan 8.250 nan 0.000 0.443 448 Y N 0.482 120.533 120.300 -0.415 0.000 2.315 448 Y HA 0.145 4.697 4.550 0.002 0.000 0.324 448 Y C -0.015 175.898 175.900 0.023 0.000 1.062 448 Y CA -0.759 57.300 58.100 -0.069 0.000 1.159 448 Y CB 2.027 40.418 38.460 -0.115 0.000 1.145 448 Y HN 0.542 nan 8.280 nan 0.000 0.442 449 T N 0.100 114.760 114.554 0.177 0.000 2.893 449 T HA 0.989 5.340 4.350 0.003 0.000 0.291 449 T C -0.150 174.366 174.700 -0.307 0.000 1.028 449 T CA -0.521 61.517 62.100 -0.103 0.000 0.995 449 T CB 2.114 70.891 68.868 -0.152 0.000 1.051 449 T HN 1.040 nan 8.240 nan 0.000 0.470 450 G N 1.100 109.350 108.800 -0.917 0.000 2.451 450 G HA2 0.575 4.537 3.960 0.003 0.000 0.292 450 G HA3 0.575 4.537 3.960 0.003 0.000 0.292 450 G C -2.065 172.512 174.900 -0.538 0.000 1.427 450 G CA -0.884 43.836 45.100 -0.632 0.000 0.792 450 G HN 0.835 nan 8.290 nan 0.000 0.498 451 E N -1.260 118.878 120.200 -0.104 0.000 2.449 451 E HA 0.693 5.045 4.350 0.003 0.000 0.278 451 E C -1.510 175.149 176.600 0.100 0.000 0.992 451 E CA -0.852 55.517 56.400 -0.052 0.000 0.807 451 E CB 2.705 32.397 29.700 -0.013 0.000 1.350 451 E HN 0.362 nan 8.360 nan 0.000 0.462 452 T N 1.640 116.208 114.554 0.024 0.000 3.031 452 T HA 0.324 4.676 4.350 0.003 0.000 0.305 452 T C -0.938 173.785 174.700 0.037 0.000 0.985 452 T CA -0.736 61.411 62.100 0.079 0.000 1.008 452 T CB 1.075 69.932 68.868 -0.018 0.000 1.005 452 T HN 0.174 nan 8.240 nan 0.000 0.444 453 K N 1.677 122.130 120.400 0.087 0.000 2.159 453 K HA 0.734 5.056 4.320 0.003 0.000 0.266 453 K C -0.430 176.256 176.600 0.144 0.000 0.975 453 K CA -0.559 55.774 56.287 0.078 0.000 0.865 453 K CB 1.456 34.027 32.500 0.119 0.000 1.087 453 K HN 0.406 nan 8.250 nan 0.000 0.446 454 S N 1.781 117.559 115.700 0.131 0.000 2.594 454 S HA 0.339 4.810 4.470 0.003 0.000 0.296 454 S C -1.296 173.452 174.600 0.247 0.000 1.124 454 S CA -0.919 57.389 58.200 0.181 0.000 1.011 454 S CB 0.777 64.053 63.200 0.125 0.000 1.016 454 S HN 0.572 nan 8.310 nan 0.000 0.485 455 N N 1.344 120.217 118.700 0.287 0.000 2.417 455 N HA 0.528 5.269 4.740 0.003 0.000 0.274 455 N C -0.996 174.677 175.510 0.272 0.000 0.987 455 N CA -0.348 52.873 53.050 0.286 0.000 0.912 455 N CB 1.626 40.262 38.487 0.249 0.000 1.177 455 N HN 0.297 nan 8.380 nan 0.000 0.490 456 S N 1.531 117.368 115.700 0.228 0.000 2.607 456 S HA 0.665 5.137 4.470 0.003 0.000 0.303 456 S C -1.458 173.256 174.600 0.190 0.000 1.086 456 S CA -0.540 57.780 58.200 0.201 0.000 0.995 456 S CB 1.217 64.518 63.200 0.168 0.000 1.084 456 S HN 0.313 nan 8.310 nan 0.000 0.507 457 L N 2.433 123.763 121.223 0.178 0.000 2.482 457 L HA 0.626 4.968 4.340 0.003 0.000 0.263 457 L C -1.851 175.118 176.870 0.165 0.000 0.957 457 L CA -0.213 54.726 54.840 0.164 0.000 0.836 457 L CB 2.090 44.248 42.059 0.166 0.000 1.324 457 L HN 0.663 nan 8.230 nan 0.000 0.406 458 D N 4.781 125.282 120.400 0.168 0.000 2.319 458 D HA 0.263 4.905 4.640 0.003 0.000 0.237 458 D C -0.972 175.449 176.300 0.200 0.000 1.353 458 D CA -0.200 53.928 54.000 0.214 0.000 0.992 458 D CB 1.131 42.090 40.800 0.265 0.000 1.368 458 D HN 0.585 nan 8.370 nan 0.000 0.564 459 I N 1.838 122.499 120.570 0.151 0.000 2.396 459 I HA 0.634 4.806 4.170 0.003 0.000 0.292 459 I C -1.167 175.052 176.117 0.170 0.000 0.999 459 I CA -0.405 60.947 61.300 0.087 0.000 1.310 459 I CB 0.846 38.876 38.000 0.050 0.000 1.404 459 I HN 0.146 nan 8.210 nan 0.000 0.496 460 Y N 4.343 124.700 120.300 0.094 0.000 2.638 460 Y HA 0.847 5.399 4.550 0.003 0.000 0.339 460 Y C -1.649 174.321 175.900 0.116 0.000 1.084 460 Y CA -1.520 56.622 58.100 0.069 0.000 1.068 460 Y CB 1.235 39.776 38.460 0.135 0.000 1.294 460 Y HN 0.525 nan 8.280 nan 0.000 0.480 461 L N 1.469 122.889 121.223 0.327 0.000 2.370 461 L HA 0.794 5.136 4.340 0.003 0.000 0.266 461 L C -0.690 176.386 176.870 0.343 0.000 1.002 461 L CA -0.777 54.282 54.840 0.365 0.000 0.818 461 L CB 2.651 44.917 42.059 0.345 0.000 1.325 461 L HN 0.937 nan 8.230 nan 0.000 0.418 462 T N 0.800 115.457 114.554 0.172 0.000 3.105 462 T HA 0.795 5.146 4.350 0.003 0.000 0.321 462 T C -0.725 173.474 174.700 -0.836 0.000 1.135 462 T CA 0.097 62.006 62.100 -0.318 0.000 1.053 462 T CB 1.608 70.440 68.868 -0.059 0.000 1.133 462 T HN 0.987 nan 8.240 nan 0.000 0.463 463 G N 4.047 111.872 108.800 -1.625 0.000 2.341 463 G HA2 0.663 4.624 3.960 0.003 0.000 0.299 463 G HA3 0.663 4.624 3.960 0.003 0.000 0.299 463 G C -3.512 170.695 174.900 -1.155 0.000 1.274 463 G CA -0.720 43.355 45.100 -1.708 0.000 0.853 463 G HN 0.678 nan 8.290 nan 0.000 0.493 464 P HA 0.795 nan 4.420 nan 0.000 0.283 464 P C -1.327 176.271 177.300 0.497 0.000 1.278 464 P CA -0.679 62.441 63.100 0.033 0.000 0.834 464 P CB 1.342 33.070 31.700 0.047 0.000 1.150 465 F N -2.458 117.570 119.950 0.129 0.000 2.725 465 F HA 0.497 5.026 4.527 0.002 0.000 0.309 465 F C -1.870 174.021 175.800 0.151 0.000 1.132 465 F CA -1.285 56.823 58.000 0.180 0.000 0.957 465 F CB 0.673 39.796 39.000 0.205 0.000 1.286 465 F HN 0.404 nan 8.300 nan 0.000 0.440 466 Q N 1.617 121.418 119.800 0.002 0.000 2.309 466 Q HA 0.660 5.001 4.340 0.003 0.000 0.264 466 Q C -1.610 174.459 176.000 0.114 0.000 1.008 466 Q CA -0.697 55.055 55.803 -0.086 0.000 0.853 466 Q CB 2.799 31.519 28.738 -0.030 0.000 1.314 466 Q HN 0.758 nan 8.270 nan 0.000 0.448 467 F N 1.522 121.507 119.950 0.057 0.000 2.675 467 F HA 0.392 4.920 4.527 0.003 0.000 0.315 467 F C -0.166 175.704 175.800 0.116 0.000 0.888 467 F CA -0.240 57.818 58.000 0.096 0.000 1.100 467 F CB 1.144 40.149 39.000 0.008 0.000 0.908 467 F HN 0.536 nan 8.300 nan 0.000 0.657 468 L N -0.003 121.344 121.223 0.207 0.000 2.783 468 L HA 0.446 4.788 4.340 0.003 0.000 0.265 468 L C 0.909 177.800 176.870 0.034 0.000 1.398 468 L CA 0.343 55.197 54.840 0.023 0.000 0.802 468 L CB 0.849 42.887 42.059 -0.035 0.000 1.126 468 L HN 0.297 nan 8.230 nan 0.000 0.529 469 G N 0.424 109.239 108.800 0.026 0.000 2.234 469 G HA2 -0.274 3.687 3.960 0.003 0.000 0.260 469 G HA3 -0.274 3.687 3.960 0.003 0.000 0.260 469 G C 0.338 175.216 174.900 -0.036 0.000 0.987 469 G CA 0.182 45.282 45.100 -0.000 0.000 0.625 469 G HN 0.449 nan 8.290 nan 0.000 0.532 470 R N 0.041 120.492 120.500 -0.083 0.000 2.740 470 R HA 0.675 5.017 4.340 0.003 0.000 0.282 470 R C -0.864 175.115 176.300 -0.535 0.000 0.969 470 R CA -1.050 54.928 56.100 -0.204 0.000 0.918 470 R CB 1.519 31.748 30.300 -0.118 0.000 1.175 470 R HN 0.112 nan 8.270 nan 0.000 0.464 471 E N 1.721 121.683 120.200 -0.396 0.000 2.257 471 E HA 0.114 4.465 4.350 0.003 0.000 0.278 471 E C -0.909 175.393 176.600 -0.497 0.000 1.049 471 E CA 0.248 56.410 56.400 -0.397 0.000 0.876 471 E CB 0.354 29.963 29.700 -0.152 0.000 1.035 471 E HN 0.472 nan 8.360 nan 0.000 0.419 472 H N 1.767 120.769 119.070 -0.114 0.000 2.960 472 H HA 0.624 5.182 4.556 0.003 0.000 0.302 472 H C -0.376 174.952 175.328 -0.000 0.000 1.515 472 H CA -1.058 54.914 56.048 -0.127 0.000 1.431 472 H CB 1.029 30.607 29.762 -0.307 0.000 1.890 472 H HN 0.452 nan 8.280 nan 0.000 0.762 473 E N 0.317 120.598 120.200 0.137 0.000 2.372 473 E HA 0.528 4.880 4.350 0.003 0.000 0.279 473 E C -1.765 174.772 176.600 -0.107 0.000 0.946 473 E CA -1.042 55.370 56.400 0.020 0.000 0.769 473 E CB 2.548 32.177 29.700 -0.119 0.000 1.230 473 E HN 0.271 nan 8.360 nan 0.000 0.442 474 L N 1.165 122.222 121.223 -0.277 0.000 2.409 474 L HA 0.601 4.943 4.340 0.003 0.000 0.262 474 L C -1.813 174.888 176.870 -0.281 0.000 0.992 474 L CA -0.734 53.925 54.840 -0.302 0.000 0.817 474 L CB 2.368 44.150 42.059 -0.461 0.000 1.350 474 L HN 0.571 nan 8.230 nan 0.000 0.411 475 V N 4.192 124.026 119.914 -0.132 0.000 2.540 475 V HA 0.739 4.860 4.120 0.003 0.000 0.302 475 V C -0.642 175.462 176.094 0.017 0.000 1.035 475 V CA -0.634 61.646 62.300 -0.034 0.000 0.873 475 V CB 1.784 33.604 31.823 -0.006 0.000 0.992 475 V HN 0.656 nan 8.190 nan 0.000 0.428 476 V N 1.714 121.658 119.914 0.049 0.000 2.656 476 V HA 1.104 5.226 4.120 0.003 0.000 0.307 476 V C -0.077 175.919 176.094 -0.162 0.000 1.051 476 V CA 0.035 62.297 62.300 -0.063 0.000 0.893 476 V CB 1.576 33.374 31.823 -0.041 0.000 0.999 476 V HN 1.147 nan 8.190 nan 0.000 0.426 477 G N 1.517 109.980 108.800 -0.561 0.000 2.718 477 G HA2 0.651 4.612 3.960 0.003 0.000 0.295 477 G HA3 0.651 4.612 3.960 0.003 0.000 0.295 477 G C -1.158 173.354 174.900 -0.647 0.000 1.421 477 G CA -0.284 44.385 45.100 -0.718 0.000 0.902 477 G HN 1.069 nan 8.290 nan 0.000 0.501 478 T N -0.766 113.648 114.554 -0.232 0.000 2.900 478 T HA 0.772 5.123 4.350 0.003 0.000 0.295 478 T C -0.400 174.354 174.700 0.090 0.000 1.044 478 T CA -0.076 61.986 62.100 -0.064 0.000 0.995 478 T CB 1.488 70.343 68.868 -0.021 0.000 1.072 478 T HN 1.534 nan 8.240 nan 0.000 0.473 479 S N 1.867 117.651 115.700 0.141 0.000 2.546 479 S HA 0.911 5.383 4.470 0.003 0.000 0.274 479 S C -0.997 173.671 174.600 0.113 0.000 1.121 479 S CA -0.688 57.611 58.200 0.165 0.000 0.887 479 S CB 1.682 65.016 63.200 0.224 0.000 1.094 479 S HN 1.147 nan 8.310 nan 0.000 0.474 480 A N 0.950 123.836 122.820 0.111 0.000 2.469 480 A HA 0.941 5.263 4.320 0.003 0.000 0.299 480 A C -0.492 177.124 177.584 0.053 0.000 1.098 480 A CA -0.810 51.262 52.037 0.057 0.000 0.737 480 A CB 1.858 20.948 19.000 0.150 0.000 1.312 480 A HN 1.534 nan 8.150 nan 0.000 0.414 481 S N 0.286 115.910 115.700 -0.126 0.000 2.653 481 S HA 0.607 5.078 4.470 0.003 0.000 0.268 481 S C -1.973 172.474 174.600 -0.254 0.000 1.153 481 S CA -0.349 57.820 58.200 -0.051 0.000 1.036 481 S CB -0.040 63.148 63.200 -0.020 0.000 1.103 481 S HN 0.527 nan 8.310 nan 0.000 0.466 482 F N 3.402 123.394 119.950 0.069 0.000 2.426 482 F HA 0.625 5.154 4.527 0.002 0.000 0.348 482 F C 0.652 176.508 175.800 0.094 0.000 1.124 482 F CA -0.381 57.657 58.000 0.062 0.000 1.008 482 F CB 2.121 41.160 39.000 0.065 0.000 1.139 482 F HN 0.494 nan 8.300 nan 0.000 0.452 483 S N 1.597 117.430 115.700 0.222 0.000 2.536 483 S HA 0.476 4.948 4.470 0.003 0.000 0.287 483 S C -1.466 173.302 174.600 0.279 0.000 1.101 483 S CA -0.768 57.574 58.200 0.235 0.000 0.950 483 S CB 1.496 64.803 63.200 0.178 0.000 1.056 483 S HN 0.813 nan 8.310 nan 0.000 0.481 484 H N 1.805 120.987 119.070 0.186 0.000 2.638 484 H HA 0.438 4.996 4.556 0.003 0.000 0.317 484 H C -1.645 173.836 175.328 0.254 0.000 1.006 484 H CA -0.703 55.455 56.048 0.184 0.000 1.222 484 H CB 0.535 30.383 29.762 0.144 0.000 1.419 484 H HN 0.758 nan 8.280 nan 0.000 0.489 485 W N 6.319 127.798 121.300 0.299 0.000 2.391 485 W HA 0.383 5.045 4.660 0.003 0.000 0.311 485 W C -1.323 175.306 176.519 0.182 0.000 1.087 485 W CA -0.975 56.470 57.345 0.166 0.000 1.209 485 W CB 0.886 30.419 29.460 0.121 0.000 1.273 485 W HN 0.637 nan 8.180 nan 0.000 0.482 486 E N 3.333 123.712 120.200 0.297 0.000 2.248 486 E HA 0.719 5.070 4.350 0.003 0.000 0.267 486 E C -0.679 175.984 176.600 0.105 0.000 0.877 486 E CA -0.806 55.634 56.400 0.066 0.000 0.759 486 E CB 1.858 31.554 29.700 -0.008 0.000 1.182 486 E HN 0.693 nan 8.360 nan 0.000 0.418 487 G N 2.569 111.388 108.800 0.032 0.000 2.702 487 G HA2 0.362 4.324 3.960 0.003 0.000 0.296 487 G HA3 0.362 4.324 3.960 0.003 0.000 0.296 487 G C -1.497 173.449 174.900 0.078 0.000 1.463 487 G CA -0.770 44.400 45.100 0.118 0.000 0.890 487 G HN 0.349 nan 8.290 nan 0.000 0.534 488 K N 0.225 120.675 120.400 0.084 0.000 2.221 488 K HA 0.848 5.169 4.320 0.003 0.000 0.243 488 K C -0.645 176.014 176.600 0.099 0.000 0.968 488 K CA -0.809 55.445 56.287 -0.055 0.000 0.846 488 K CB 2.180 34.688 32.500 0.013 0.000 1.141 488 K HN 0.405 nan 8.250 nan 0.000 0.434 489 S N 0.648 116.272 115.700 -0.127 0.000 2.541 489 S HA 0.490 4.962 4.470 0.003 0.000 0.271 489 S C -1.769 172.571 174.600 -0.432 0.000 1.133 489 S CA -0.790 57.348 58.200 -0.104 0.000 0.876 489 S CB 0.731 64.009 63.200 0.130 0.000 1.105 489 S HN 0.423 nan 8.310 nan 0.000 0.470 490 Y N 1.474 121.427 120.300 -0.579 0.000 2.331 490 Y HA 0.426 4.977 4.550 0.003 0.000 0.326 490 Y C -0.282 175.511 175.900 -0.178 0.000 1.020 490 Y CA -1.319 56.502 58.100 -0.466 0.000 1.136 490 Y CB 1.090 39.374 38.460 -0.293 0.000 1.157 490 Y HN 0.951 nan 8.280 nan 0.000 0.444 491 W N 0.813 122.152 121.300 0.066 0.000 2.252 491 W HA 0.478 5.139 4.660 0.002 0.000 0.338 491 W C -1.141 175.432 176.519 0.090 0.000 0.914 491 W CA -0.636 56.774 57.345 0.107 0.000 1.754 491 W CB 0.028 29.540 29.460 0.086 0.000 1.135 491 W HN 0.098 nan 8.180 nan 0.000 0.531 492 N N 2.008 120.755 118.700 0.078 0.000 2.405 492 N HA 0.618 5.359 4.740 0.003 0.000 0.299 492 N C -1.416 174.130 175.510 0.059 0.000 1.075 492 N CA -0.346 52.756 53.050 0.086 0.000 0.884 492 N CB 2.250 40.740 38.487 0.004 0.000 1.194 492 N HN -0.024 nan 8.380 nan 0.000 0.491 493 L N 0.983 122.234 121.223 0.046 0.000 2.476 493 L HA 0.434 4.776 4.340 0.003 0.000 0.269 493 L C 0.367 177.235 176.870 -0.003 0.000 0.965 493 L CA -0.765 54.061 54.840 -0.023 0.000 0.845 493 L CB 1.715 43.717 42.059 -0.095 0.000 1.259 493 L HN 0.183 nan 8.230 nan 0.000 0.403 494 R N 3.512 123.994 120.500 -0.031 0.000 2.584 494 R HA -0.067 4.275 4.340 0.003 0.000 0.315 494 R C 0.215 176.531 176.300 0.026 0.000 0.863 494 R CA 0.244 56.337 56.100 -0.012 0.000 1.139 494 R CB -0.157 30.120 30.300 -0.039 0.000 0.880 494 R HN 0.902 nan 8.270 nan 0.000 0.413 495 N N 3.119 121.844 118.700 0.042 0.000 1.916 495 N HA -0.258 4.483 4.740 0.003 0.000 0.307 495 N C -0.922 174.649 175.510 0.102 0.000 1.322 495 N CA 0.692 53.781 53.050 0.064 0.000 0.808 495 N CB 0.145 38.653 38.487 0.035 0.000 1.056 495 N HN 0.469 nan 8.380 nan 0.000 0.499 496 Y N 1.718 121.992 120.300 -0.044 0.000 2.346 496 Y HA 0.223 4.775 4.550 0.003 0.000 0.332 496 Y C -1.136 174.746 175.900 -0.029 0.000 0.985 496 Y CA -1.702 56.363 58.100 -0.060 0.000 1.112 496 Y CB 1.411 39.815 38.460 -0.093 0.000 1.170 496 Y HN 0.519 nan 8.280 nan 0.000 0.447 497 D N 4.762 124.876 120.400 -0.477 0.000 2.383 497 D HA 0.044 4.685 4.640 0.003 0.000 0.245 497 D C 0.330 176.194 176.300 -0.726 0.000 1.263 497 D CA 0.118 53.863 54.000 -0.426 0.000 0.936 497 D CB 0.164 40.820 40.800 -0.239 0.000 1.053 497 D HN 0.693 nan 8.370 nan 0.000 0.507 498 N N 1.971 120.333 118.700 -0.564 0.000 2.268 498 N HA -0.038 4.704 4.740 0.003 0.000 0.204 498 N C -0.143 175.233 175.510 -0.224 0.000 1.124 498 N CA -0.368 52.437 53.050 -0.408 0.000 0.838 498 N CB 0.064 38.501 38.487 -0.082 0.000 0.994 498 N HN 0.294 nan 8.380 nan 0.000 0.489 499 T N -2.766 111.651 114.554 -0.227 0.000 2.943 499 T HA 0.514 4.865 4.350 0.003 0.000 0.284 499 T C -0.442 174.172 174.700 -0.142 0.000 1.015 499 T CA -0.523 61.443 62.100 -0.223 0.000 1.042 499 T CB 2.028 70.784 68.868 -0.186 0.000 1.055 499 T HN 0.028 nan 8.240 nan 0.000 0.500 500 T N 0.772 115.247 114.554 -0.131 0.000 2.916 500 T HA 0.335 4.687 4.350 0.003 0.000 0.298 500 T C 0.218 174.929 174.700 0.018 0.000 1.031 500 T CA -0.665 61.437 62.100 0.003 0.000 0.993 500 T CB 1.387 70.337 68.868 0.136 0.000 1.045 500 T HN 0.616 nan 8.240 nan 0.000 0.454 501 D N 2.234 122.663 120.400 0.050 0.000 2.263 501 D HA 0.029 4.670 4.640 0.003 0.000 0.208 501 D C 0.167 176.525 176.300 0.097 0.000 0.971 501 D CA 1.170 55.203 54.000 0.054 0.000 0.867 501 D CB 0.314 41.142 40.800 0.047 0.000 0.929 501 D HN 0.529 nan 8.370 nan 0.000 0.492 502 D N -1.392 119.101 120.400 0.155 0.000 2.323 502 D HA 0.024 4.665 4.640 0.003 0.000 0.242 502 D C -0.175 176.312 176.300 0.311 0.000 1.347 502 D CA -0.542 53.578 54.000 0.201 0.000 0.988 502 D CB 0.268 41.159 40.800 0.151 0.000 1.314 502 D HN -0.135 nan 8.370 nan 0.000 0.564 503 F N 4.155 124.208 119.950 0.171 0.000 2.179 503 F HA 0.091 4.620 4.527 0.003 0.000 0.292 503 F C 1.962 177.955 175.800 0.320 0.000 1.089 503 F CA 0.749 58.887 58.000 0.229 0.000 1.295 503 F CB 0.124 39.195 39.000 0.118 0.000 1.041 503 F HN 0.334 nan 8.300 nan 0.000 0.487 504 I N 0.984 121.784 120.570 0.384 0.000 2.236 504 I HA -0.357 3.815 4.170 0.003 0.000 0.249 504 I C 0.727 176.958 176.117 0.190 0.000 1.102 504 I CA 1.574 63.028 61.300 0.258 0.000 1.365 504 I CB -0.944 37.183 38.000 0.213 0.000 1.051 504 I HN 0.304 nan 8.210 nan 0.000 0.420 505 N N -0.134 118.671 118.700 0.175 0.000 2.251 505 N HA -0.012 4.729 4.740 0.003 0.000 0.217 505 N C 0.103 175.675 175.510 0.103 0.000 1.124 505 N CA -0.144 52.979 53.050 0.122 0.000 0.843 505 N CB 0.030 38.565 38.487 0.080 0.000 1.024 505 N HN 0.407 nan 8.380 nan 0.000 0.501 506 W N 2.003 123.257 121.300 -0.078 0.000 2.435 506 W HA -0.110 4.552 4.660 0.003 0.000 0.337 506 W C -0.079 176.264 176.519 -0.294 0.000 1.300 506 W CA 0.697 57.924 57.345 -0.198 0.000 1.298 506 W CB 0.597 29.893 29.460 -0.272 0.000 1.217 506 W HN 0.061 nan 8.180 nan 0.000 0.565 507 D N 2.734 122.616 120.400 -0.863 0.000 2.527 507 D HA 0.149 4.791 4.640 0.003 0.000 0.224 507 D C 1.399 176.711 176.300 -1.647 0.000 1.217 507 D CA 0.642 54.116 54.000 -0.878 0.000 0.819 507 D CB 0.178 40.677 40.800 -0.502 0.000 1.061 507 D HN 0.696 nan 8.370 nan 0.000 0.515 508 G N 1.545 108.810 108.800 -2.559 0.000 2.143 508 G HA2 -0.260 3.702 3.960 0.003 0.000 0.249 508 G HA3 -0.260 3.702 3.960 0.003 0.000 0.249 508 G C 0.082 174.150 174.900 -1.387 0.000 0.981 508 G CA 0.132 43.875 45.100 -2.261 0.000 0.665 508 G HN 0.359 nan 8.290 nan 0.000 0.528 509 D N 0.462 120.154 120.400 -1.180 0.000 2.563 509 D HA 0.581 5.222 4.640 0.003 0.000 0.222 509 D C 0.262 176.471 176.300 -0.153 0.000 1.145 509 D CA -0.067 53.652 54.000 -0.469 0.000 1.001 509 D CB 0.005 40.603 40.800 -0.338 0.000 1.049 509 D HN 0.412 nan 8.370 nan 0.000 0.515 510 I N 0.578 121.164 120.570 0.028 0.000 2.730 510 I HA 0.493 4.664 4.170 0.003 0.000 0.298 510 I C 0.553 176.912 176.117 0.404 0.000 1.089 510 I CA -1.110 60.336 61.300 0.244 0.000 1.041 510 I CB 1.755 39.992 38.000 0.397 0.000 1.235 510 I HN 0.263 nan 8.210 nan 0.000 0.423 511 G N 4.404 113.371 108.800 0.277 0.000 2.391 511 G HA2 -0.034 3.928 3.960 0.003 0.000 0.234 511 G HA3 -0.034 3.928 3.960 0.003 0.000 0.234 511 G C -0.317 174.788 174.900 0.343 0.000 1.284 511 G CA -0.157 45.088 45.100 0.241 0.000 0.873 511 G HN 0.715 nan 8.290 nan 0.000 0.549 512 K N 3.019 123.332 120.400 -0.144 0.000 2.350 512 K HA 0.313 4.634 4.320 0.003 0.000 0.279 512 K C -1.792 174.423 176.600 -0.640 0.000 1.027 512 K CA -1.143 54.611 56.287 -0.889 0.000 0.969 512 K CB 0.878 32.801 32.500 -0.962 0.000 0.954 512 K HN 0.307 nan 8.250 nan 0.000 0.474 513 P HA 0.157 nan 4.420 nan 0.000 0.284 513 P C -1.392 175.231 177.300 -1.127 0.000 1.287 513 P CA -0.501 61.833 63.100 -1.278 0.000 0.824 513 P CB 0.776 31.170 31.700 -2.177 0.000 1.180 514 D N -0.202 119.755 120.400 -0.739 0.000 2.396 514 D HA 0.123 4.765 4.640 0.003 0.000 0.225 514 D C 0.406 176.422 176.300 -0.473 0.000 1.121 514 D CA -0.476 53.234 54.000 -0.484 0.000 0.853 514 D CB -0.046 40.619 40.800 -0.226 0.000 1.043 514 D HN 0.233 nan 8.370 nan 0.000 0.500 515 W N 3.859 125.045 121.300 -0.190 0.000 2.421 515 W HA 0.081 4.743 4.660 0.003 0.000 0.270 515 W C 1.952 178.477 176.519 0.009 0.000 1.233 515 W CA 0.559 57.839 57.345 -0.110 0.000 1.226 515 W CB -0.489 28.860 29.460 -0.184 0.000 1.121 515 W HN 0.703 nan 8.180 nan 0.000 0.579 516 G N 0.431 109.320 108.800 0.149 0.000 2.596 516 G HA2 -0.383 3.578 3.960 0.003 0.000 0.295 516 G HA3 -0.383 3.578 3.960 0.003 0.000 0.295 516 G C 0.248 175.237 174.900 0.148 0.000 1.240 516 G CA 1.013 46.173 45.100 0.099 0.000 0.985 516 G HN 0.435 nan 8.290 nan 0.000 0.555 517 T N 0.682 115.248 114.554 0.020 0.000 2.875 517 T HA 0.647 4.999 4.350 0.003 0.000 0.284 517 T C -1.730 172.753 174.700 -0.362 0.000 0.995 517 T CA -0.550 61.495 62.100 -0.091 0.000 1.060 517 T CB 1.685 70.505 68.868 -0.079 0.000 0.967 517 T HN 0.561 nan 8.240 nan 0.000 0.476 518 P HA 0.094 nan 4.420 nan 0.000 0.273 518 P C 0.186 176.974 177.300 -0.854 0.000 1.237 518 P CA -0.098 62.232 63.100 -1.285 0.000 0.813 518 P CB 0.274 31.295 31.700 -1.131 0.000 0.930 519 S N -2.945 112.167 115.700 -0.981 0.000 2.546 519 S HA 0.100 4.571 4.470 0.003 0.000 0.282 519 S C -0.059 174.121 174.600 -0.700 0.000 1.074 519 S CA -0.137 57.523 58.200 -0.900 0.000 1.254 519 S CB 0.466 62.703 63.200 -1.606 0.000 1.103 519 S HN 0.532 nan 8.310 nan 0.000 0.589 520 Q N -0.333 119.054 119.800 -0.687 0.000 2.416 520 Q HA 0.594 4.935 4.340 0.003 0.000 0.281 520 Q C -2.192 173.586 176.000 -0.370 0.000 1.067 520 Q CA -0.645 55.001 55.803 -0.262 0.000 0.809 520 Q CB 1.825 30.594 28.738 0.053 0.000 1.418 520 Q HN 0.281 nan 8.270 nan 0.000 0.411 521 Y N 1.255 121.516 120.300 -0.066 0.000 2.446 521 Y HA 0.514 5.066 4.550 0.003 0.000 0.345 521 Y C -0.121 175.725 175.900 -0.091 0.000 0.984 521 Y CA -0.895 57.162 58.100 -0.071 0.000 1.058 521 Y CB 1.516 39.933 38.460 -0.073 0.000 1.220 521 Y HN 0.386 nan 8.280 nan 0.000 0.455 522 I N 2.063 122.618 120.570 -0.025 0.000 2.525 522 I HA 0.360 4.532 4.170 0.003 0.000 0.301 522 I C -0.671 175.337 176.117 -0.181 0.000 0.992 522 I CA -0.610 60.520 61.300 -0.284 0.000 1.162 522 I CB 1.857 39.362 38.000 -0.825 0.000 1.332 522 I HN 0.645 nan 8.210 nan 0.000 0.458 523 D N 3.204 123.495 120.400 -0.181 0.000 3.036 523 D HA 0.218 4.860 4.640 0.003 0.000 0.244 523 D C -1.406 174.858 176.300 -0.059 0.000 1.337 523 D CA -0.240 53.752 54.000 -0.012 0.000 0.829 523 D CB 0.474 41.297 40.800 0.038 0.000 1.478 523 D HN 0.332 nan 8.370 nan 0.000 0.570 524 D N 1.195 121.559 120.400 -0.061 0.000 2.308 524 D HA 0.337 4.978 4.640 0.003 0.000 0.242 524 D C -0.231 176.109 176.300 0.068 0.000 1.059 524 D CA -0.179 53.808 54.000 -0.022 0.000 0.830 524 D CB 1.503 42.283 40.800 -0.033 0.000 1.161 524 D HN 0.015 nan 8.370 nan 0.000 0.494 525 K N 1.552 121.942 120.400 -0.018 0.000 2.347 525 K HA 0.331 4.653 4.320 0.003 0.000 0.262 525 K C -0.384 176.209 176.600 -0.011 0.000 1.052 525 K CA -0.489 55.791 56.287 -0.013 0.000 0.946 525 K CB 1.214 33.657 32.500 -0.095 0.000 1.220 525 K HN 0.248 nan 8.250 nan 0.000 0.450 526 T N 2.769 117.328 114.554 0.008 0.000 2.913 526 T HA 0.193 4.545 4.350 0.003 0.000 0.297 526 T C -0.142 174.440 174.700 -0.196 0.000 1.029 526 T CA -0.263 61.750 62.100 -0.146 0.000 1.104 526 T CB 0.578 69.378 68.868 -0.113 0.000 0.964 526 T HN 0.359 nan 8.240 nan 0.000 0.532 527 R N 2.396 122.676 120.500 -0.366 0.000 2.533 527 R HA 0.344 4.686 4.340 0.003 0.000 0.288 527 R C -1.684 174.342 176.300 -0.456 0.000 1.039 527 R CA -0.601 55.226 56.100 -0.455 0.000 0.909 527 R CB 1.825 31.868 30.300 -0.429 0.000 1.195 527 R HN 0.800 nan 8.270 nan 0.000 0.438 528 Q N 6.037 125.597 119.800 -0.400 0.000 2.274 528 Q HA 0.435 4.776 4.340 0.003 0.000 0.268 528 Q C -1.396 174.528 176.000 -0.126 0.000 1.015 528 Q CA -0.655 55.036 55.803 -0.188 0.000 0.775 528 Q CB 1.728 30.450 28.738 -0.027 0.000 1.256 528 Q HN 0.595 nan 8.270 nan 0.000 0.442 529 L N 2.298 123.493 121.223 -0.045 0.000 2.331 529 L HA 0.930 5.271 4.340 0.003 0.000 0.275 529 L C 0.214 177.129 176.870 0.075 0.000 1.022 529 L CA -1.008 53.836 54.840 0.007 0.000 0.812 529 L CB 2.007 44.074 42.059 0.012 0.000 1.257 529 L HN 0.813 nan 8.230 nan 0.000 0.435 530 G N 0.245 109.106 108.800 0.101 0.000 2.759 530 G HA2 0.598 4.560 3.960 0.003 0.000 0.297 530 G HA3 0.598 4.560 3.960 0.003 0.000 0.297 530 G C -1.572 173.425 174.900 0.162 0.000 1.434 530 G CA -0.257 44.935 45.100 0.153 0.000 0.980 530 G HN 0.428 nan 8.290 nan 0.000 0.531 531 S N 0.005 115.809 115.700 0.173 0.000 2.614 531 S HA 0.698 5.169 4.470 0.003 0.000 0.275 531 S C -1.459 173.231 174.600 0.150 0.000 1.161 531 S CA -0.608 57.636 58.200 0.072 0.000 0.969 531 S CB 1.143 64.364 63.200 0.036 0.000 1.059 531 S HN 0.901 nan 8.310 nan 0.000 0.482 532 Y N 0.130 120.463 120.300 0.054 0.000 2.457 532 Y HA 0.885 5.436 4.550 0.002 0.000 0.343 532 Y C -1.254 174.665 175.900 0.031 0.000 0.994 532 Y CA -1.506 56.615 58.100 0.035 0.000 1.031 532 Y CB 0.731 39.180 38.460 -0.018 0.000 1.246 532 Y HN 0.406 nan 8.280 nan 0.000 0.449 533 M N 3.002 122.687 119.600 0.142 0.000 2.383 533 M HA 0.757 5.239 4.480 0.003 0.000 0.325 533 M C -0.922 175.438 176.300 0.100 0.000 1.092 533 M CA -0.398 54.948 55.300 0.076 0.000 0.961 533 M CB 2.361 34.997 32.600 0.060 0.000 1.672 533 M HN 0.743 nan 8.290 nan 0.000 0.438 534 T N 1.497 116.077 114.554 0.043 0.000 2.993 534 T HA 0.866 5.218 4.350 0.003 0.000 0.312 534 T C -1.408 173.266 174.700 -0.044 0.000 1.115 534 T CA -0.806 61.305 62.100 0.018 0.000 1.027 534 T CB 1.826 70.667 68.868 -0.045 0.000 1.116 534 T HN 0.767 nan 8.240 nan 0.000 0.464 535 A N 2.461 125.259 122.820 -0.035 0.000 2.365 535 A HA 0.845 5.166 4.320 0.003 0.000 0.318 535 A C -0.286 177.161 177.584 -0.229 0.000 1.091 535 A CA -0.837 51.081 52.037 -0.199 0.000 0.763 535 A CB 1.187 19.977 19.000 -0.350 0.000 1.248 535 A HN 0.757 nan 8.150 nan 0.000 0.442 536 R N 2.780 123.060 120.500 -0.368 0.000 2.396 536 R HA 0.408 4.749 4.340 0.003 0.000 0.292 536 R C -1.673 174.434 176.300 -0.321 0.000 1.240 536 R CA -0.377 55.391 56.100 -0.553 0.000 1.270 536 R CB -0.030 29.841 30.300 -0.715 0.000 1.108 536 R HN 0.577 nan 8.270 nan 0.000 0.573 537 F N 2.425 122.292 119.950 -0.138 0.000 2.541 537 F HA 0.025 4.553 4.527 0.003 0.000 0.378 537 F C 1.313 177.133 175.800 0.034 0.000 1.068 537 F CA 0.327 58.276 58.000 -0.085 0.000 1.199 537 F CB 0.482 39.392 39.000 -0.150 0.000 1.091 537 F HN 0.407 nan 8.300 nan 0.000 0.555 538 N N 3.963 122.925 118.700 0.437 0.000 2.415 538 N HA 0.112 4.853 4.740 0.003 0.000 0.250 538 N C 0.549 176.256 175.510 0.329 0.000 1.127 538 N CA -0.247 52.981 53.050 0.296 0.000 0.945 538 N CB 0.819 39.399 38.487 0.156 0.000 1.196 538 N HN 0.440 nan 8.380 nan 0.000 0.499 539 V N 3.074 123.117 119.914 0.214 0.000 2.278 539 V HA -0.037 4.084 4.120 0.003 0.000 0.238 539 V C 1.235 177.405 176.094 0.127 0.000 1.039 539 V CA 1.240 63.636 62.300 0.160 0.000 1.017 539 V CB -0.321 31.572 31.823 0.116 0.000 0.657 539 V HN 0.616 nan 8.190 nan 0.000 0.462 540 T N -0.995 113.632 114.554 0.122 0.000 2.819 540 T HA 0.269 4.620 4.350 0.003 0.000 0.271 540 T C 0.408 175.158 174.700 0.083 0.000 0.986 540 T CA -0.390 61.770 62.100 0.101 0.000 0.989 540 T CB 0.706 69.648 68.868 0.124 0.000 1.396 540 T HN 0.171 nan 8.240 nan 0.000 0.597 541 D N 0.581 121.018 120.400 0.062 0.000 2.355 541 D HA 0.063 4.705 4.640 0.003 0.000 0.218 541 D C 0.382 176.699 176.300 0.028 0.000 1.004 541 D CA 0.723 54.745 54.000 0.036 0.000 0.880 541 D CB 0.123 40.935 40.800 0.019 0.000 0.911 541 D HN 0.346 nan 8.370 nan 0.000 0.528 542 D N -0.429 120.002 120.400 0.051 0.000 2.520 542 D HA 0.101 4.742 4.640 0.003 0.000 0.223 542 D C -0.173 176.208 176.300 0.136 0.000 1.186 542 D CA -0.205 53.793 54.000 -0.003 0.000 0.821 542 D CB 1.420 42.145 40.800 -0.125 0.000 1.072 542 D HN 0.051 nan 8.370 nan 0.000 0.518 543 L N 1.417 122.767 121.223 0.212 0.000 2.406 543 L HA 0.430 4.771 4.340 0.003 0.000 0.272 543 L C -1.342 175.645 176.870 0.195 0.000 0.980 543 L CA -0.343 54.663 54.840 0.278 0.000 0.831 543 L CB 1.534 43.768 42.059 0.292 0.000 1.253 543 L HN -0.232 nan 8.230 nan 0.000 0.406 544 N N 5.257 124.079 118.700 0.204 0.000 2.399 544 N HA 0.391 5.132 4.740 0.003 0.000 0.280 544 N C -1.407 174.212 175.510 0.181 0.000 1.008 544 N CA -0.608 52.528 53.050 0.142 0.000 0.894 544 N CB 2.608 41.146 38.487 0.086 0.000 1.273 544 N HN 0.403 nan 8.380 nan 0.000 0.486 545 L N 2.756 124.070 121.223 0.152 0.000 2.292 545 L HA 0.464 4.805 4.340 0.003 0.000 0.284 545 L C -1.030 175.938 176.870 0.163 0.000 1.065 545 L CA -0.145 54.825 54.840 0.217 0.000 0.806 545 L CB 0.248 42.422 42.059 0.191 0.000 1.175 545 L HN 0.383 nan 8.230 nan 0.000 0.431 546 F N 5.844 125.950 119.950 0.260 0.000 2.361 546 F HA 0.494 5.022 4.527 0.002 0.000 0.364 546 F C -0.243 175.748 175.800 0.319 0.000 1.117 546 F CA -0.346 57.825 58.000 0.285 0.000 1.071 546 F CB 0.917 40.129 39.000 0.353 0.000 1.188 546 F HN 0.202 nan 8.300 nan 0.000 0.464 547 L N 2.920 124.404 121.223 0.434 0.000 2.365 547 L HA 0.945 5.286 4.340 0.003 0.000 0.273 547 L C 0.020 177.086 176.870 0.326 0.000 1.000 547 L CA -0.457 54.615 54.840 0.387 0.000 0.819 547 L CB 2.145 44.419 42.059 0.357 0.000 1.284 547 L HN 0.762 nan 8.230 nan 0.000 0.418 548 G N 1.135 110.129 108.800 0.323 0.000 2.466 548 G HA2 0.627 4.588 3.960 0.003 0.000 0.291 548 G HA3 0.627 4.588 3.960 0.003 0.000 0.291 548 G C -1.556 173.485 174.900 0.235 0.000 1.460 548 G CA 0.026 45.266 45.100 0.233 0.000 0.791 548 G HN 0.873 nan 8.290 nan 0.000 0.505 549 G N -1.043 107.864 108.800 0.177 0.000 2.576 549 G HA2 0.704 4.665 3.960 0.003 0.000 0.290 549 G HA3 0.704 4.665 3.960 0.003 0.000 0.290 549 G C -1.663 173.285 174.900 0.080 0.000 1.442 549 G CA -0.693 44.433 45.100 0.043 0.000 0.792 549 G HN 0.657 nan 8.290 nan 0.000 0.491 550 R N -0.548 119.901 120.500 -0.086 0.000 2.621 550 R HA 0.687 5.029 4.340 0.003 0.000 0.292 550 R C -1.099 175.277 176.300 0.128 0.000 0.969 550 R CA -0.720 55.431 56.100 0.084 0.000 0.887 550 R CB 2.260 32.579 30.300 0.033 0.000 1.180 550 R HN 0.905 nan 8.270 nan 0.000 0.450 551 V N 3.407 123.464 119.914 0.239 0.000 2.459 551 V HA 0.696 4.818 4.120 0.003 0.000 0.295 551 V C -1.162 175.061 176.094 0.214 0.000 1.029 551 V CA -0.340 62.121 62.300 0.268 0.000 0.874 551 V CB 1.802 33.801 31.823 0.293 0.000 0.985 551 V HN 0.511 nan 8.190 nan 0.000 0.438 552 V N 5.041 125.102 119.914 0.244 0.000 2.715 552 V HA 0.618 4.739 4.120 0.003 0.000 0.310 552 V C -0.695 175.542 176.094 0.239 0.000 1.054 552 V CA -0.450 62.003 62.300 0.255 0.000 0.928 552 V CB 1.893 33.925 31.823 0.348 0.000 1.007 552 V HN 1.071 nan 8.190 nan 0.000 0.437 553 D N 1.887 122.407 120.400 0.200 0.000 2.696 553 D HA 0.318 4.960 4.640 0.003 0.000 0.251 553 D C -2.059 174.354 176.300 0.188 0.000 1.188 553 D CA -0.234 53.870 54.000 0.173 0.000 0.876 553 D CB 2.057 42.916 40.800 0.099 0.000 1.334 553 D HN 0.525 nan 8.370 nan 0.000 0.540 554 Y N 3.549 123.900 120.300 0.084 0.000 2.361 554 Y HA 0.419 4.971 4.550 0.002 0.000 0.337 554 Y C -1.081 174.843 175.900 0.041 0.000 0.965 554 Y CA -0.848 57.285 58.100 0.056 0.000 1.091 554 Y CB 1.325 39.844 38.460 0.098 0.000 1.182 554 Y HN 0.397 nan 8.280 nan 0.000 0.450 555 R N 5.400 125.703 120.500 -0.327 0.000 2.574 555 R HA 0.736 5.077 4.340 0.003 0.000 0.288 555 R C -2.401 173.740 176.300 -0.265 0.000 1.004 555 R CA -0.838 55.158 56.100 -0.173 0.000 0.895 555 R CB 1.926 32.170 30.300 -0.093 0.000 1.191 555 R HN 0.543 nan 8.270 nan 0.000 0.444 556 V N 4.055 123.905 119.914 -0.106 0.000 2.524 556 V HA 0.556 4.677 4.120 0.003 0.000 0.297 556 V C -0.709 175.373 176.094 -0.019 0.000 1.035 556 V CA -0.043 62.216 62.300 -0.068 0.000 0.867 556 V CB 1.820 33.638 31.823 -0.008 0.000 1.004 556 V HN 0.972 nan 8.190 nan 0.000 0.426 557 T N 3.402 117.939 114.554 -0.029 0.000 2.944 557 T HA 1.011 5.363 4.350 0.003 0.000 0.284 557 T C 0.292 174.972 174.700 -0.032 0.000 1.010 557 T CA 0.097 62.181 62.100 -0.025 0.000 1.025 557 T CB 1.650 70.497 68.868 -0.034 0.000 1.079 557 T HN 2.089 nan 8.240 nan 0.000 0.516 558 G N 0.231 109.013 108.800 -0.030 0.000 2.344 558 G HA2 0.310 4.271 3.960 0.003 0.000 0.282 558 G HA3 0.310 4.271 3.960 0.003 0.000 0.282 558 G C 0.086 174.974 174.900 -0.020 0.000 1.281 558 G CA -0.196 44.882 45.100 -0.038 0.000 0.877 558 G HN 1.202 nan 8.290 nan 0.000 0.494 559 L N 0.479 121.692 121.223 -0.016 0.000 1.989 559 L HA 0.210 4.551 4.340 0.003 0.000 0.211 559 L C 1.124 178.012 176.870 0.029 0.000 1.071 559 L CA 1.726 56.574 54.840 0.013 0.000 0.749 559 L CB -0.669 41.410 42.059 0.034 0.000 0.890 559 L HN 0.506 nan 8.230 nan 0.000 0.431 560 N N 0.319 119.040 118.700 0.035 0.000 2.371 560 N HA 0.167 4.909 4.740 0.003 0.000 0.243 560 N C -2.332 173.194 175.510 0.028 0.000 1.287 560 N CA -1.014 52.065 53.050 0.048 0.000 0.911 560 N CB -0.069 38.453 38.487 0.059 0.000 1.142 560 N HN 0.164 nan 8.380 nan 0.000 0.451 561 P HA 0.096 nan 4.420 nan 0.000 0.275 561 P C -0.527 176.784 177.300 0.018 0.000 1.228 561 P CA -0.072 63.043 63.100 0.025 0.000 0.786 561 P CB 0.255 31.974 31.700 0.033 0.000 0.927 562 T N 3.531 118.096 114.554 0.018 0.000 2.758 562 T HA 0.087 4.438 4.350 0.003 0.000 0.281 562 T C 0.667 175.386 174.700 0.031 0.000 0.963 562 T CA 0.357 62.469 62.100 0.020 0.000 1.201 562 T CB -0.879 67.999 68.868 0.017 0.000 0.906 562 T HN 0.187 nan 8.240 nan 0.000 0.528 563 I N 4.633 125.229 120.570 0.043 0.000 2.471 563 I HA 0.294 4.466 4.170 0.003 0.000 0.286 563 I C 0.915 177.092 176.117 0.100 0.000 1.079 563 I CA 0.007 61.353 61.300 0.077 0.000 1.398 563 I CB 0.358 38.424 38.000 0.110 0.000 1.403 563 I HN 0.223 nan 8.210 nan 0.000 0.530 564 R N 5.955 126.517 120.500 0.103 0.000 2.510 564 R HA 0.364 4.706 4.340 0.003 0.000 0.294 564 R C -1.408 174.962 176.300 0.116 0.000 1.056 564 R CA -0.522 55.639 56.100 0.101 0.000 0.918 564 R CB 1.803 32.138 30.300 0.058 0.000 1.187 564 R HN 0.579 nan 8.270 nan 0.000 0.437 565 E N 1.600 121.900 120.200 0.167 0.000 2.248 565 E HA 0.473 4.825 4.350 0.003 0.000 0.267 565 E C -0.976 175.702 176.600 0.131 0.000 0.877 565 E CA -0.607 55.874 56.400 0.136 0.000 0.759 565 E CB 2.561 32.359 29.700 0.162 0.000 1.182 565 E HN 0.433 nan 8.360 nan 0.000 0.418 566 S N -0.245 115.499 115.700 0.074 0.000 2.547 566 S HA 0.589 5.061 4.470 0.003 0.000 0.281 566 S C 0.655 175.285 174.600 0.050 0.000 1.118 566 S CA -0.194 58.049 58.200 0.071 0.000 0.947 566 S CB 1.837 65.069 63.200 0.053 0.000 1.053 566 S HN 0.794 nan 8.310 nan 0.000 0.482 567 G N 1.958 110.801 108.800 0.072 0.000 2.212 567 G HA2 -0.261 3.701 3.960 0.003 0.000 0.266 567 G HA3 -0.261 3.701 3.960 0.003 0.000 0.266 567 G C 0.070 175.019 174.900 0.081 0.000 0.978 567 G CA -0.147 44.995 45.100 0.071 0.000 0.632 567 G HN 0.635 nan 8.290 nan 0.000 0.537 568 R N -0.097 120.420 120.500 0.029 0.000 2.480 568 R HA 0.246 4.588 4.340 0.003 0.000 0.303 568 R C -0.284 176.093 176.300 0.128 0.000 0.985 568 R CA 0.045 56.108 56.100 -0.063 0.000 1.051 568 R CB 0.058 30.067 30.300 -0.484 0.000 0.935 568 R HN 0.245 nan 8.270 nan 0.000 0.410 569 F N 4.541 124.483 119.950 -0.014 0.000 2.421 569 F HA 0.409 4.938 4.527 0.003 0.000 0.337 569 F C -0.207 175.641 175.800 0.079 0.000 1.105 569 F CA -1.053 56.981 58.000 0.056 0.000 1.049 569 F CB 0.796 39.823 39.000 0.044 0.000 1.139 569 F HN 0.316 nan 8.300 nan 0.000 0.479 570 I N 8.285 128.519 120.570 -0.559 0.000 2.389 570 I HA 0.358 4.530 4.170 0.003 0.000 0.288 570 I C -2.370 173.235 176.117 -0.853 0.000 0.999 570 I CA -2.022 58.996 61.300 -0.470 0.000 1.129 570 I CB 1.730 39.621 38.000 -0.181 0.000 1.288 570 I HN 0.422 nan 8.210 nan 0.000 0.444 571 P HA 0.215 nan 4.420 nan 0.000 0.284 571 P C -1.614 175.618 177.300 -0.113 0.000 1.258 571 P CA -0.519 62.408 63.100 -0.288 0.000 0.824 571 P CB 1.244 33.002 31.700 0.096 0.000 1.038 572 Y N 1.582 121.840 120.300 -0.069 0.000 2.327 572 Y HA 0.459 5.010 4.550 0.003 0.000 0.325 572 Y C -1.405 174.555 175.900 0.099 0.000 0.999 572 Y CA -0.668 57.412 58.100 -0.033 0.000 1.195 572 Y CB 1.310 39.751 38.460 -0.032 0.000 1.132 572 Y HN 0.061 nan 8.280 nan 0.000 0.455 573 V N 5.216 125.143 119.914 0.022 0.000 2.487 573 V HA 0.913 5.035 4.120 0.003 0.000 0.298 573 V C -0.179 175.941 176.094 0.043 0.000 1.028 573 V CA -0.276 62.119 62.300 0.158 0.000 0.860 573 V CB 1.652 33.582 31.823 0.178 0.000 0.991 573 V HN 0.923 nan 8.190 nan 0.000 0.427 574 G N 3.166 112.104 108.800 0.230 0.000 2.759 574 G HA2 0.764 4.726 3.960 0.003 0.000 0.297 574 G HA3 0.764 4.726 3.960 0.003 0.000 0.297 574 G C -1.389 173.746 174.900 0.393 0.000 1.434 574 G CA -0.041 45.179 45.100 0.200 0.000 0.980 574 G HN 1.075 nan 8.290 nan 0.000 0.531 575 A N 0.348 123.358 122.820 0.317 0.000 2.371 575 A HA 0.853 5.175 4.320 0.003 0.000 0.311 575 A C -1.012 176.797 177.584 0.374 0.000 1.068 575 A CA -0.835 51.412 52.037 0.349 0.000 0.744 575 A CB 2.138 21.273 19.000 0.226 0.000 1.239 575 A HN 2.039 nan 8.150 nan 0.000 0.435 576 V N 3.402 123.560 119.914 0.406 0.000 2.525 576 V HA 0.674 4.795 4.120 0.003 0.000 0.299 576 V C -2.010 174.289 176.094 0.342 0.000 1.034 576 V CA -0.520 61.998 62.300 0.364 0.000 0.863 576 V CB 1.387 33.399 31.823 0.316 0.000 0.999 576 V HN 0.956 nan 8.190 nan 0.000 0.423 577 Y N 5.638 126.043 120.300 0.175 0.000 2.345 577 Y HA 0.585 5.136 4.550 0.003 0.000 0.331 577 Y C 0.024 175.993 175.900 0.116 0.000 0.959 577 Y CA -1.025 57.152 58.100 0.129 0.000 1.204 577 Y CB 1.124 39.649 38.460 0.108 0.000 1.135 577 Y HN 0.735 nan 8.280 nan 0.000 0.477 578 D N 6.322 126.539 120.400 -0.306 0.000 2.424 578 D HA 0.074 4.715 4.640 0.003 0.000 0.244 578 D C 0.790 176.773 176.300 -0.529 0.000 1.134 578 D CA 0.403 54.220 54.000 -0.305 0.000 0.881 578 D CB 1.518 42.200 40.800 -0.197 0.000 1.191 578 D HN 0.708 nan 8.370 nan 0.000 0.445 579 L N 1.649 122.737 121.223 -0.225 0.000 2.276 579 L HA 0.008 4.350 4.340 0.003 0.000 0.194 579 L C 1.090 177.912 176.870 -0.079 0.000 1.099 579 L CA 0.513 55.272 54.840 -0.135 0.000 0.800 579 L CB -0.234 41.839 42.059 0.024 0.000 0.994 579 L HN 0.392 nan 8.230 nan 0.000 0.475 580 N N -1.955 116.727 118.700 -0.030 0.000 2.876 580 N HA 0.101 4.843 4.740 0.003 0.000 0.241 580 N C 0.147 175.620 175.510 -0.062 0.000 1.564 580 N CA -0.356 52.676 53.050 -0.030 0.000 0.976 580 N CB -0.159 38.336 38.487 0.013 0.000 2.134 580 N HN -0.215 nan 8.380 nan 0.000 0.378 581 D N -1.715 118.640 120.400 -0.074 0.000 2.392 581 D HA 0.176 4.818 4.640 0.003 0.000 0.206 581 D C 0.687 176.872 176.300 -0.192 0.000 1.046 581 D CA 0.737 54.673 54.000 -0.106 0.000 0.865 581 D CB 0.272 41.023 40.800 -0.082 0.000 0.969 581 D HN 0.467 nan 8.370 nan 0.000 0.509 582 T N -0.583 113.809 114.554 -0.270 0.000 2.988 582 T HA 0.065 4.417 4.350 0.003 0.000 0.240 582 T C 0.250 174.561 174.700 -0.648 0.000 1.014 582 T CA 0.436 62.174 62.100 -0.603 0.000 1.155 582 T CB 0.197 68.579 68.868 -0.810 0.000 0.872 582 T HN -0.042 nan 8.240 nan 0.000 0.440 583 Y N 1.357 121.575 120.300 -0.136 0.000 2.361 583 Y HA 0.640 5.192 4.550 0.003 0.000 0.332 583 Y C 0.132 176.005 175.900 -0.046 0.000 1.101 583 Y CA -1.017 57.037 58.100 -0.078 0.000 1.137 583 Y CB 1.524 39.961 38.460 -0.038 0.000 1.207 583 Y HN -0.041 nan 8.280 nan 0.000 0.463 584 S N 1.685 117.487 115.700 0.171 0.000 2.557 584 S HA 0.570 5.041 4.470 0.003 0.000 0.291 584 S C -0.941 173.798 174.600 0.231 0.000 1.116 584 S CA -0.966 57.318 58.200 0.139 0.000 0.992 584 S CB 1.276 64.538 63.200 0.105 0.000 1.028 584 S HN 0.477 nan 8.310 nan 0.000 0.484 585 V N 2.243 122.302 119.914 0.241 0.000 2.607 585 V HA 0.781 4.903 4.120 0.003 0.000 0.289 585 V C -0.730 175.564 176.094 0.334 0.000 1.053 585 V CA -0.582 61.874 62.300 0.260 0.000 0.996 585 V CB -0.063 31.888 31.823 0.213 0.000 0.995 585 V HN 0.870 nan 8.190 nan 0.000 0.476 586 Y N 1.944 122.328 120.300 0.140 0.000 2.553 586 Y HA 0.971 5.522 4.550 0.003 0.000 0.347 586 Y C -0.436 175.528 175.900 0.106 0.000 1.019 586 Y CA -1.055 57.121 58.100 0.127 0.000 1.032 586 Y CB 1.613 40.131 38.460 0.097 0.000 1.284 586 Y HN 1.052 nan 8.280 nan 0.000 0.466 587 A N 1.857 124.721 122.820 0.073 0.000 2.539 587 A HA 0.908 5.230 4.320 0.003 0.000 0.296 587 A C -1.008 176.633 177.584 0.096 0.000 1.073 587 A CA -0.169 51.860 52.037 -0.014 0.000 0.700 587 A CB 1.445 20.451 19.000 0.010 0.000 1.296 587 A HN 1.761 nan 8.150 nan 0.000 0.405 588 S N 0.084 115.809 115.700 0.042 0.000 2.543 588 S HA 0.596 5.067 4.470 0.003 0.000 0.274 588 S C -1.672 172.885 174.600 -0.072 0.000 1.149 588 S CA -0.507 57.678 58.200 -0.026 0.000 0.866 588 S CB 1.175 64.321 63.200 -0.089 0.000 1.111 588 S HN 1.661 nan 8.310 nan 0.000 0.457 589 Y N 2.661 122.769 120.300 -0.319 0.000 2.328 589 Y HA 0.643 5.195 4.550 0.003 0.000 0.333 589 Y C -0.408 175.227 175.900 -0.441 0.000 0.958 589 Y CA -0.135 57.692 58.100 -0.455 0.000 1.167 589 Y CB 1.454 39.649 38.460 -0.442 0.000 1.151 589 Y HN 1.013 nan 8.280 nan 0.000 0.470 590 T N 2.495 116.601 114.554 -0.747 0.000 2.876 590 T HA 0.523 4.875 4.350 0.003 0.000 0.289 590 T C -1.422 172.910 174.700 -0.613 0.000 1.014 590 T CA -0.863 60.845 62.100 -0.654 0.000 0.986 590 T CB 2.285 70.880 68.868 -0.455 0.000 1.021 590 T HN 0.605 nan 8.240 nan 0.000 0.458 591 D N 0.618 120.728 120.400 -0.484 0.000 2.527 591 D HA 0.747 5.388 4.640 0.003 0.000 0.233 591 D C -1.230 174.937 176.300 -0.222 0.000 1.063 591 D CA -0.701 53.085 54.000 -0.357 0.000 0.880 591 D CB 1.891 42.481 40.800 -0.350 0.000 1.457 591 D HN 0.724 nan 8.370 nan 0.000 0.475 592 I N 2.315 122.789 120.570 -0.161 0.000 3.095 592 I HA 0.663 4.835 4.170 0.003 0.000 0.310 592 I C -1.561 174.549 176.117 -0.012 0.000 1.196 592 I CA -0.893 60.323 61.300 -0.139 0.000 0.985 592 I CB 1.519 39.383 38.000 -0.227 0.000 1.250 592 I HN 0.520 nan 8.210 nan 0.000 0.446 593 F N 4.269 124.123 119.950 -0.159 0.000 2.685 593 F HA 0.875 5.404 4.527 0.003 0.000 0.315 593 F C -1.407 174.291 175.800 -0.170 0.000 1.126 593 F CA -1.080 56.835 58.000 -0.142 0.000 0.950 593 F CB 1.756 40.692 39.000 -0.108 0.000 1.360 593 F HN 0.387 nan 8.300 nan 0.000 0.469 594 M N 2.695 122.279 119.600 -0.027 0.000 2.298 594 M HA 0.509 4.991 4.480 0.003 0.000 0.255 594 M C -3.190 173.076 176.300 -0.057 0.000 1.021 594 M CA -1.659 53.508 55.300 -0.220 0.000 0.968 594 M CB 1.911 34.378 32.600 -0.222 0.000 2.037 594 M HN 0.322 nan 8.290 nan 0.000 0.478 595 P HA 0.079 nan 4.420 nan 0.000 0.264 595 P C -1.168 176.107 177.300 -0.042 0.000 1.179 595 P CA 0.194 63.269 63.100 -0.042 0.000 0.763 595 P CB 0.471 32.128 31.700 -0.072 0.000 0.806 596 Q N 1.845 121.642 119.800 -0.005 0.000 2.368 596 Q HA 0.135 4.477 4.340 0.003 0.000 0.237 596 Q C -0.085 175.877 176.000 -0.064 0.000 0.987 596 Q CA -0.066 55.743 55.803 0.010 0.000 0.896 596 Q CB 0.358 29.119 28.738 0.038 0.000 1.241 596 Q HN 0.384 nan 8.270 nan 0.000 0.485 597 D N -0.218 120.092 120.400 -0.151 0.000 2.368 597 D HA -0.032 4.610 4.640 0.003 0.000 0.240 597 D C 0.840 176.681 176.300 -0.765 0.000 1.169 597 D CA 0.393 54.018 54.000 -0.625 0.000 0.906 597 D CB 1.086 41.163 40.800 -1.205 0.000 1.187 597 D HN 0.675 nan 8.370 nan 0.000 0.435 598 S N 0.905 116.138 115.700 -0.778 0.000 2.400 598 S HA -0.204 4.268 4.470 0.003 0.000 0.232 598 S C 1.645 176.078 174.600 -0.277 0.000 1.025 598 S CA 0.931 58.909 58.200 -0.370 0.000 0.993 598 S CB -0.644 62.452 63.200 -0.174 0.000 0.808 598 S HN 0.738 nan 8.310 nan 0.000 0.478 599 W N -0.257 120.961 121.300 -0.137 0.000 2.800 599 W HA 0.406 5.067 4.660 0.002 0.000 0.249 599 W C -0.251 176.143 176.519 -0.209 0.000 1.294 599 W CA -1.041 56.213 57.345 -0.152 0.000 1.402 599 W CB -1.009 28.346 29.460 -0.176 0.000 1.126 599 W HN 0.056 nan 8.180 nan 0.000 0.652 600 Y N 4.015 124.219 120.300 -0.160 0.000 2.594 600 Y HA 0.326 4.877 4.550 0.003 0.000 0.344 600 Y C 0.662 176.526 175.900 -0.060 0.000 1.185 600 Y CA -1.330 56.586 58.100 -0.308 0.000 1.565 600 Y CB -0.681 37.559 38.460 -0.366 0.000 1.415 600 Y HN 0.061 nan 8.280 nan 0.000 0.488 601 R N 0.131 120.792 120.500 0.269 0.000 2.837 601 R HA 0.581 4.923 4.340 0.003 0.000 0.271 601 R C -0.946 175.476 176.300 0.203 0.000 0.993 601 R CA -1.161 55.052 56.100 0.189 0.000 0.931 601 R CB 1.395 31.775 30.300 0.133 0.000 1.206 601 R HN 0.323 nan 8.270 nan 0.000 0.474 602 D N 0.470 120.918 120.400 0.080 0.000 2.478 602 D HA 0.142 4.784 4.640 0.003 0.000 0.269 602 D C 0.553 176.754 176.300 -0.165 0.000 1.232 602 D CA -0.674 53.312 54.000 -0.023 0.000 1.059 602 D CB 0.306 41.091 40.800 -0.025 0.000 1.104 602 D HN 0.330 nan 8.370 nan 0.000 0.566 603 S N -0.981 114.517 115.700 -0.337 0.000 2.390 603 S HA -0.210 4.262 4.470 0.003 0.000 0.234 603 S C 1.636 176.097 174.600 -0.231 0.000 1.063 603 S CA 2.006 59.892 58.200 -0.523 0.000 1.108 603 S CB -0.633 62.348 63.200 -0.365 0.000 0.975 603 S HN 0.584 nan 8.310 nan 0.000 0.442 604 S N 1.064 116.701 115.700 -0.106 0.000 2.671 604 S HA 0.194 4.665 4.470 0.003 0.000 0.220 604 S C 0.639 175.232 174.600 -0.012 0.000 0.951 604 S CA 0.169 58.347 58.200 -0.035 0.000 0.932 604 S CB -0.251 62.941 63.200 -0.014 0.000 0.777 604 S HN 0.539 nan 8.310 nan 0.000 0.508 605 N N 1.202 119.890 118.700 -0.019 0.000 2.741 605 N HA -0.164 4.577 4.740 0.003 0.000 0.251 605 N C -0.855 174.675 175.510 0.033 0.000 1.112 605 N CA 0.835 53.898 53.050 0.022 0.000 0.750 605 N CB -1.284 37.226 38.487 0.039 0.000 1.119 605 N HN 0.559 nan 8.380 nan 0.000 0.561 606 K N 0.100 120.513 120.400 0.022 0.000 2.143 606 K HA 0.383 4.705 4.320 0.003 0.000 0.272 606 K C 0.037 176.658 176.600 0.036 0.000 1.001 606 K CA -0.939 55.364 56.287 0.026 0.000 0.915 606 K CB 1.276 33.787 32.500 0.017 0.000 1.047 606 K HN 0.108 nan 8.250 nan 0.000 0.458 607 L N 3.753 124.997 121.223 0.035 0.000 2.455 607 L HA 0.075 4.417 4.340 0.003 0.000 0.272 607 L C -0.550 176.341 176.870 0.035 0.000 1.174 607 L CA 0.287 55.149 54.840 0.036 0.000 0.869 607 L CB 0.188 42.261 42.059 0.023 0.000 1.130 607 L HN 0.471 nan 8.230 nan 0.000 0.474 608 L N 4.094 125.344 121.223 0.046 0.000 2.490 608 L HA 0.030 4.372 4.340 0.003 0.000 0.274 608 L C 0.713 177.594 176.870 0.019 0.000 1.201 608 L CA -0.193 54.667 54.840 0.034 0.000 0.869 608 L CB 0.079 42.156 42.059 0.031 0.000 1.123 608 L HN 0.665 nan 8.230 nan 0.000 0.484 609 E N 5.360 125.568 120.200 0.013 0.000 2.608 609 E HA -0.044 4.307 4.350 0.003 0.000 0.259 609 E C -2.188 174.415 176.600 0.006 0.000 0.951 609 E CA -0.745 55.657 56.400 0.003 0.000 0.945 609 E CB 0.219 29.918 29.700 -0.002 0.000 0.916 609 E HN 0.199 nan 8.360 nan 0.000 0.477 610 P HA -0.238 nan 4.420 nan 0.000 0.263 610 P C -0.604 176.720 177.300 0.040 0.000 1.145 610 P CA 0.617 63.743 63.100 0.043 0.000 0.755 610 P CB 0.349 32.087 31.700 0.063 0.000 0.746 611 D N 3.022 123.440 120.400 0.029 0.000 2.455 611 D HA 0.063 4.705 4.640 0.003 0.000 0.241 611 D C 0.005 176.327 176.300 0.038 0.000 1.138 611 D CA 0.847 54.857 54.000 0.017 0.000 0.877 611 D CB 0.478 41.273 40.800 -0.008 0.000 1.187 611 D HN 0.344 nan 8.370 nan 0.000 0.451 612 E N 0.876 121.093 120.200 0.029 0.000 2.401 612 E HA 0.622 4.973 4.350 0.003 0.000 0.280 612 E C -1.311 175.290 176.600 0.002 0.000 1.039 612 E CA -0.932 55.492 56.400 0.040 0.000 0.814 612 E CB 1.669 31.408 29.700 0.065 0.000 1.275 612 E HN 0.484 nan 8.360 nan 0.000 0.448 613 G N 1.385 110.169 108.800 -0.027 0.000 2.632 613 G HA2 0.483 4.445 3.960 0.003 0.000 0.292 613 G HA3 0.483 4.445 3.960 0.003 0.000 0.292 613 G C -1.948 172.924 174.900 -0.047 0.000 1.465 613 G CA -0.656 44.425 45.100 -0.031 0.000 0.824 613 G HN 0.265 nan 8.290 nan 0.000 0.509 614 Q N -0.167 119.662 119.800 0.049 0.000 2.356 614 Q HA 0.488 4.830 4.340 0.003 0.000 0.270 614 Q C -0.500 175.582 176.000 0.137 0.000 1.058 614 Q CA -0.811 54.983 55.803 -0.016 0.000 0.802 614 Q CB 2.349 31.126 28.738 0.063 0.000 1.303 614 Q HN 0.654 nan 8.270 nan 0.000 0.444 615 N N 1.187 119.866 118.700 -0.035 0.000 2.419 615 N HA 0.435 5.176 4.740 0.003 0.000 0.277 615 N C -1.621 173.959 175.510 0.117 0.000 1.006 615 N CA -0.278 52.825 53.050 0.088 0.000 0.923 615 N CB 0.618 39.070 38.487 -0.058 0.000 1.140 615 N HN 0.386 nan 8.380 nan 0.000 0.488 616 Y N 1.405 121.758 120.300 0.090 0.000 2.328 616 Y HA 0.423 4.975 4.550 0.003 0.000 0.336 616 Y C -0.154 175.781 175.900 0.059 0.000 0.960 616 Y CA -0.864 57.294 58.100 0.097 0.000 1.134 616 Y CB 1.473 39.996 38.460 0.105 0.000 1.166 616 Y HN 0.509 nan 8.280 nan 0.000 0.464 617 E N 3.431 123.731 120.200 0.167 0.000 2.292 617 E HA 0.647 4.999 4.350 0.003 0.000 0.272 617 E C -1.703 174.880 176.600 -0.029 0.000 0.881 617 E CA -0.691 55.765 56.400 0.094 0.000 0.754 617 E CB 2.462 32.234 29.700 0.120 0.000 1.201 617 E HN 0.694 nan 8.360 nan 0.000 0.425 618 I N 2.473 122.997 120.570 -0.076 0.000 2.828 618 I HA 0.825 4.997 4.170 0.003 0.000 0.302 618 I C -0.457 175.465 176.117 -0.324 0.000 1.101 618 I CA -0.319 60.833 61.300 -0.247 0.000 1.031 618 I CB 1.911 39.876 38.000 -0.059 0.000 1.231 618 I HN 0.693 nan 8.210 nan 0.000 0.427 619 G N 5.740 114.193 108.800 -0.578 0.000 2.428 619 G HA2 0.459 4.421 3.960 0.003 0.000 0.304 619 G HA3 0.459 4.421 3.960 0.003 0.000 0.304 619 G C -2.295 172.584 174.900 -0.036 0.000 1.303 619 G CA -0.557 44.386 45.100 -0.262 0.000 0.825 619 G HN 0.684 nan 8.290 nan 0.000 0.484 620 I N -0.116 120.585 120.570 0.218 0.000 2.569 620 I HA 0.610 4.782 4.170 0.003 0.000 0.290 620 I C -1.007 175.312 176.117 0.336 0.000 1.088 620 I CA -0.864 60.600 61.300 0.273 0.000 1.047 620 I CB 1.868 39.951 38.000 0.139 0.000 1.237 620 I HN 0.455 nan 8.210 nan 0.000 0.421 621 K N 5.292 125.887 120.400 0.325 0.000 2.259 621 K HA 0.710 5.032 4.320 0.003 0.000 0.249 621 K C -0.334 176.392 176.600 0.211 0.000 0.942 621 K CA -0.900 55.529 56.287 0.238 0.000 0.816 621 K CB 2.083 34.652 32.500 0.115 0.000 1.155 621 K HN 0.686 nan 8.250 nan 0.000 0.428 622 G N 0.780 109.673 108.800 0.155 0.000 2.410 622 G HA2 0.428 4.389 3.960 0.003 0.000 0.330 622 G HA3 0.428 4.389 3.960 0.003 0.000 0.330 622 G C -1.264 173.484 174.900 -0.253 0.000 1.142 622 G CA -0.230 44.742 45.100 -0.213 0.000 0.902 622 G HN 0.603 nan 8.290 nan 0.000 0.491 623 E N -0.125 119.694 120.200 -0.635 0.000 2.278 623 E HA 0.550 4.901 4.350 0.003 0.000 0.272 623 E C -1.704 174.565 176.600 -0.551 0.000 0.890 623 E CA -0.637 55.551 56.400 -0.352 0.000 0.770 623 E CB 1.454 31.030 29.700 -0.206 0.000 1.212 623 E HN 0.464 nan 8.360 nan 0.000 0.415 624 Y N 2.538 122.773 120.300 -0.108 0.000 2.605 624 Y HA 0.410 4.961 4.550 0.002 0.000 0.343 624 Y C -0.009 175.855 175.900 -0.060 0.000 1.036 624 Y CA -1.455 56.588 58.100 -0.095 0.000 1.065 624 Y CB 1.226 39.632 38.460 -0.090 0.000 1.288 624 Y HN 0.454 nan 8.280 nan 0.000 0.481 625 L N 2.664 123.954 121.223 0.112 0.000 3.965 625 L HA -0.350 3.992 4.340 0.003 0.000 0.499 625 L C -0.290 176.601 176.870 0.035 0.000 1.194 625 L CA 0.811 55.686 54.840 0.058 0.000 0.707 625 L CB -1.175 40.916 42.059 0.053 0.000 1.414 625 L HN 0.834 nan 8.230 nan 0.000 0.802 626 D N 0.222 120.630 120.400 0.014 0.000 2.983 626 D HA -0.233 4.408 4.640 0.003 0.000 0.225 626 D C 1.328 177.632 176.300 0.007 0.000 1.174 626 D CA 1.911 55.913 54.000 0.004 0.000 0.831 626 D CB -0.800 40.005 40.800 0.008 0.000 1.104 626 D HN 1.101 nan 8.370 nan 0.000 0.421 627 G N -0.537 108.270 108.800 0.012 0.000 2.176 627 G HA2 -0.374 3.587 3.960 0.003 0.000 0.232 627 G HA3 -0.374 3.587 3.960 0.003 0.000 0.232 627 G C 1.025 175.944 174.900 0.032 0.000 0.986 627 G CA 0.611 45.720 45.100 0.016 0.000 0.643 627 G HN 0.452 nan 8.290 nan 0.000 0.522 628 R N -1.091 119.431 120.500 0.037 0.000 2.148 628 R HA 0.329 4.670 4.340 0.003 0.000 0.223 628 R C 0.883 177.204 176.300 0.036 0.000 1.088 628 R CA 1.201 57.322 56.100 0.035 0.000 0.985 628 R CB 0.036 30.353 30.300 0.028 0.000 0.880 628 R HN 0.425 nan 8.270 nan 0.000 0.451 629 L N 0.052 121.312 121.223 0.062 0.000 2.386 629 L HA 0.398 4.740 4.340 0.003 0.000 0.271 629 L C -1.570 175.398 176.870 0.163 0.000 0.993 629 L CA -0.542 54.336 54.840 0.064 0.000 0.819 629 L CB 2.171 44.222 42.059 -0.013 0.000 1.294 629 L HN -0.082 nan 8.230 nan 0.000 0.414 630 N N 1.243 120.017 118.700 0.123 0.000 2.249 630 N HA 0.802 5.543 4.740 0.003 0.000 0.296 630 N C -1.354 174.253 175.510 0.163 0.000 1.051 630 N CA -0.576 52.564 53.050 0.151 0.000 0.815 630 N CB 2.107 40.642 38.487 0.080 0.000 1.487 630 N HN 0.748 nan 8.380 nan 0.000 0.475 631 T N -1.622 113.076 114.554 0.240 0.000 2.926 631 T HA 0.848 5.200 4.350 0.003 0.000 0.289 631 T C -0.516 174.297 174.700 0.189 0.000 1.054 631 T CA -0.846 61.382 62.100 0.214 0.000 1.015 631 T CB 1.587 70.630 68.868 0.292 0.000 1.167 631 T HN 0.447 nan 8.240 nan 0.000 0.526 632 S N 0.181 115.992 115.700 0.185 0.000 2.547 632 S HA 0.711 5.183 4.470 0.003 0.000 0.270 632 S C -1.784 172.942 174.600 0.210 0.000 1.150 632 S CA -0.997 57.323 58.200 0.201 0.000 0.850 632 S CB 1.666 64.964 63.200 0.164 0.000 1.118 632 S HN 0.997 nan 8.310 nan 0.000 0.461 633 L N 1.519 122.884 121.223 0.236 0.000 2.516 633 L HA 0.794 5.136 4.340 0.003 0.000 0.267 633 L C -1.214 175.808 176.870 0.253 0.000 0.957 633 L CA -0.453 54.520 54.840 0.222 0.000 0.860 633 L CB 1.706 43.860 42.059 0.158 0.000 1.265 633 L HN 1.216 nan 8.230 nan 0.000 0.403 634 A N 3.592 126.592 122.820 0.300 0.000 2.398 634 A HA 0.556 4.877 4.320 0.003 0.000 0.301 634 A C -2.140 175.682 177.584 0.398 0.000 1.041 634 A CA -0.388 51.834 52.037 0.309 0.000 0.711 634 A CB 1.468 20.678 19.000 0.350 0.000 1.240 634 A HN 0.608 nan 8.150 nan 0.000 0.420 635 Y N 3.163 123.572 120.300 0.182 0.000 2.326 635 Y HA 0.654 5.206 4.550 0.003 0.000 0.337 635 Y C -0.812 175.208 175.900 0.199 0.000 1.023 635 Y CA -1.225 56.970 58.100 0.157 0.000 1.143 635 Y CB 0.735 39.226 38.460 0.051 0.000 1.183 635 Y HN 0.716 nan 8.280 nan 0.000 0.485 636 F N 2.592 122.204 119.950 -0.564 0.000 2.620 636 F HA 0.802 5.330 4.527 0.003 0.000 0.320 636 F C -1.507 173.984 175.800 -0.514 0.000 1.069 636 F CA -1.277 56.483 58.000 -0.401 0.000 0.953 636 F CB 1.931 40.856 39.000 -0.126 0.000 1.322 636 F HN 0.458 nan 8.300 nan 0.000 0.479 637 E N 2.222 122.420 120.200 -0.003 0.000 2.311 637 E HA 0.504 4.855 4.350 0.003 0.000 0.281 637 E C -1.833 174.929 176.600 0.271 0.000 0.905 637 E CA -0.616 55.785 56.400 0.002 0.000 0.778 637 E CB 2.153 31.814 29.700 -0.065 0.000 1.240 637 E HN 0.737 nan 8.360 nan 0.000 0.410 638 I N 3.861 124.583 120.570 0.254 0.000 2.354 638 I HA 0.305 4.477 4.170 0.003 0.000 0.292 638 I C -0.289 175.949 176.117 0.202 0.000 0.989 638 I CA -0.731 60.737 61.300 0.281 0.000 1.188 638 I CB 1.226 39.403 38.000 0.295 0.000 1.342 638 I HN 0.437 nan 8.210 nan 0.000 0.457 639 H N 5.665 124.822 119.070 0.146 0.000 2.623 639 H HA 0.261 4.819 4.556 0.003 0.000 0.299 639 H C -0.508 174.889 175.328 0.115 0.000 1.052 639 H CA -0.387 55.733 56.048 0.119 0.000 1.231 639 H CB 1.687 31.511 29.762 0.102 0.000 1.389 639 H HN 0.603 nan 8.280 nan 0.000 0.469 640 E N 3.703 124.023 120.200 0.201 0.000 2.313 640 E HA 0.084 4.436 4.350 0.003 0.000 0.272 640 E C -0.557 176.120 176.600 0.129 0.000 1.038 640 E CA -0.677 55.819 56.400 0.161 0.000 0.863 640 E CB 0.847 30.697 29.700 0.250 0.000 1.060 640 E HN 0.652 nan 8.360 nan 0.000 0.402 641 E N 4.022 124.280 120.200 0.097 0.000 2.290 641 E HA 0.241 4.593 4.350 0.003 0.000 0.274 641 E C -0.799 175.831 176.600 0.050 0.000 0.889 641 E CA -0.901 55.544 56.400 0.074 0.000 0.760 641 E CB 1.129 30.875 29.700 0.077 0.000 1.206 641 E HN 0.683 nan 8.360 nan 0.000 0.419 642 N N 1.291 120.013 118.700 0.036 0.000 2.995 642 N HA -0.149 4.592 4.740 0.003 0.000 0.247 642 N C -0.449 175.062 175.510 0.001 0.000 1.129 642 N CA 0.473 53.533 53.050 0.016 0.000 0.721 642 N CB -0.847 37.648 38.487 0.012 0.000 1.079 642 N HN 0.718 nan 8.380 nan 0.000 0.553 643 R N 1.132 121.641 120.500 0.014 0.000 2.347 643 R HA 0.438 4.779 4.340 0.003 0.000 0.304 643 R C 0.372 176.642 176.300 -0.050 0.000 1.072 643 R CA 0.089 56.187 56.100 -0.005 0.000 0.980 643 R CB 0.427 30.747 30.300 0.033 0.000 0.986 643 R HN 0.205 nan 8.270 nan 0.000 0.448 644 A N 4.766 127.493 122.820 -0.156 0.000 2.475 644 A HA 0.086 4.407 4.320 0.003 0.000 0.293 644 A C -0.211 177.337 177.584 -0.061 0.000 1.252 644 A CA -0.170 51.736 52.037 -0.218 0.000 0.920 644 A CB 0.174 18.741 19.000 -0.721 0.000 1.125 644 A HN 0.829 nan 8.150 nan 0.000 0.528 645 E N 0.973 121.215 120.200 0.070 0.000 2.239 645 E HA 0.280 4.631 4.350 0.003 0.000 0.261 645 E C 1.137 177.870 176.600 0.222 0.000 1.016 645 E CA -0.321 56.152 56.400 0.122 0.000 0.882 645 E CB 0.857 30.589 29.700 0.055 0.000 1.190 645 E HN 0.652 nan 8.360 nan 0.000 0.415 646 E N 1.558 121.823 120.200 0.107 0.000 2.028 646 E HA -0.223 4.128 4.350 0.003 0.000 0.191 646 E C -0.457 175.981 176.600 -0.270 0.000 0.988 646 E CA 1.396 57.695 56.400 -0.168 0.000 0.799 646 E CB 0.083 29.714 29.700 -0.115 0.000 0.755 646 E HN 0.569 nan 8.360 nan 0.000 0.447 647 D N -1.251 119.078 120.400 -0.118 0.000 3.992 647 D HA -0.121 4.520 4.640 0.003 0.000 0.250 647 D C -0.056 176.191 176.300 -0.088 0.000 1.040 647 D CA 0.705 54.652 54.000 -0.088 0.000 1.125 647 D CB -1.070 39.678 40.800 -0.088 0.000 0.900 647 D HN 0.297 nan 8.370 nan 0.000 0.410 648 A N 2.443 125.238 122.820 -0.042 0.000 1.984 648 A HA 0.030 4.351 4.320 0.003 0.000 0.214 648 A C 2.124 179.703 177.584 -0.008 0.000 1.173 648 A CA 1.134 53.155 52.037 -0.026 0.000 0.673 648 A CB -0.040 18.956 19.000 -0.005 0.000 0.830 648 A HN 0.464 nan 8.150 nan 0.000 0.453 649 L N -1.619 119.608 121.223 0.007 0.000 2.156 649 L HA -0.020 4.322 4.340 0.003 0.000 0.208 649 L C 2.143 179.016 176.870 0.004 0.000 1.095 649 L CA 1.808 56.651 54.840 0.004 0.000 0.770 649 L CB -0.742 41.325 42.059 0.013 0.000 0.914 649 L HN 0.520 nan 8.230 nan 0.000 0.439 650 Y N 0.286 120.551 120.300 -0.059 0.000 2.163 650 Y HA -0.213 4.338 4.550 0.003 0.000 0.288 650 Y C 2.282 178.145 175.900 -0.061 0.000 1.136 650 Y CA 2.004 60.069 58.100 -0.058 0.000 1.147 650 Y CB -0.193 38.224 38.460 -0.072 0.000 0.987 650 Y HN 0.313 nan 8.280 nan 0.000 0.509 651 N N 0.137 118.824 118.700 -0.021 0.000 2.309 651 N HA -0.160 4.581 4.740 0.003 0.000 0.182 651 N C 2.018 177.479 175.510 -0.081 0.000 1.018 651 N CA 1.407 54.423 53.050 -0.057 0.000 0.876 651 N CB -0.735 37.748 38.487 -0.007 0.000 0.972 651 N HN 0.542 nan 8.380 nan 0.000 0.434 652 S N 0.805 116.461 115.700 -0.073 0.000 2.402 652 S HA -0.186 4.286 4.470 0.003 0.000 0.233 652 S C 0.717 175.262 174.600 -0.092 0.000 1.030 652 S CA 1.041 59.207 58.200 -0.057 0.000 1.003 652 S CB -0.419 62.757 63.200 -0.041 0.000 0.813 652 S HN 0.619 nan 8.310 nan 0.000 0.477 653 K N 0.044 120.339 120.400 -0.175 0.000 2.690 653 K HA 0.383 4.704 4.320 0.003 0.000 0.305 653 K C -3.589 172.770 176.600 -0.401 0.000 1.200 653 K CA -1.631 54.530 56.287 -0.210 0.000 1.071 653 K CB 0.996 33.422 32.500 -0.123 0.000 1.366 653 K HN -0.069 nan 8.250 nan 0.000 0.513 654 P HA -0.071 nan 4.420 nan 0.000 0.267 654 P C 0.246 177.352 177.300 -0.322 0.000 1.201 654 P CA 0.134 62.755 63.100 -0.797 0.000 0.775 654 P CB 0.931 32.456 31.700 -0.291 0.000 0.854 655 T N -3.430 111.052 114.554 -0.121 0.000 2.966 655 T HA 0.082 4.433 4.350 0.003 0.000 0.254 655 T C 0.509 175.280 174.700 0.119 0.000 0.961 655 T CA -0.071 62.050 62.100 0.035 0.000 0.915 655 T CB -0.185 68.727 68.868 0.073 0.000 1.186 655 T HN 0.327 nan 8.240 nan 0.000 0.505 656 N N 2.579 121.422 118.700 0.238 0.000 2.501 656 N HA 0.401 5.143 4.740 0.003 0.000 0.245 656 N C -2.293 173.325 175.510 0.180 0.000 0.974 656 N CA -2.477 50.688 53.050 0.191 0.000 0.941 656 N CB 1.981 40.574 38.487 0.177 0.000 1.122 656 N HN -0.095 nan 8.380 nan 0.000 0.507 657 P HA -0.079 nan 4.420 nan 0.000 0.216 657 P C 0.970 178.330 177.300 0.101 0.000 1.150 657 P CA 1.158 64.316 63.100 0.097 0.000 0.837 657 P CB 0.183 31.924 31.700 0.069 0.000 0.786 658 A N -0.996 121.880 122.820 0.092 0.000 2.009 658 A HA -0.165 4.157 4.320 0.003 0.000 0.222 658 A C 1.304 178.952 177.584 0.107 0.000 1.175 658 A CA 1.323 53.413 52.037 0.088 0.000 0.651 658 A CB -1.116 17.928 19.000 0.073 0.000 0.815 658 A HN 0.325 nan 8.150 nan 0.000 0.459 659 I N -1.644 119.005 120.570 0.131 0.000 2.534 659 I HA 0.245 4.416 4.170 0.003 0.000 0.286 659 I C 0.240 176.502 176.117 0.242 0.000 1.094 659 I CA -0.253 61.142 61.300 0.158 0.000 1.055 659 I CB 2.024 40.087 38.000 0.104 0.000 1.225 659 I HN 0.034 nan 8.210 nan 0.000 0.435 660 T N 5.833 120.528 114.554 0.235 0.000 3.040 660 T HA 0.148 4.500 4.350 0.003 0.000 0.250 660 T C -0.509 174.383 174.700 0.320 0.000 1.058 660 T CA 0.476 62.725 62.100 0.248 0.000 0.988 660 T CB -0.153 68.808 68.868 0.156 0.000 0.993 660 T HN 0.442 nan 8.240 nan 0.000 0.519 661 Y N 2.236 122.621 120.300 0.141 0.000 2.445 661 Y HA 0.633 5.184 4.550 0.003 0.000 0.332 661 Y C -0.365 175.543 175.900 0.014 0.000 1.037 661 Y CA -1.535 56.606 58.100 0.067 0.000 1.296 661 Y CB 0.277 38.753 38.460 0.026 0.000 1.099 661 Y HN 0.145 nan 8.280 nan 0.000 0.496 662 A N 3.766 126.386 122.820 -0.333 0.000 2.261 662 A HA 0.832 5.154 4.320 0.003 0.000 0.323 662 A C -1.909 175.338 177.584 -0.561 0.000 1.107 662 A CA -0.367 51.489 52.037 -0.302 0.000 0.883 662 A CB 0.834 19.569 19.000 -0.441 0.000 1.251 662 A HN 0.661 nan 8.150 nan 0.000 0.502 663 Y N -0.571 119.673 120.300 -0.094 0.000 2.553 663 Y HA 0.517 5.069 4.550 0.003 0.000 0.347 663 Y C 0.244 176.116 175.900 -0.046 0.000 1.019 663 Y CA -0.697 57.382 58.100 -0.036 0.000 1.032 663 Y CB 2.277 40.795 38.460 0.096 0.000 1.284 663 Y HN 0.779 nan 8.280 nan 0.000 0.466 664 K N -0.087 120.390 120.400 0.129 0.000 2.350 664 K HA 0.881 5.203 4.320 0.003 0.000 0.241 664 K C -0.535 176.102 176.600 0.062 0.000 0.994 664 K CA -1.261 55.064 56.287 0.064 0.000 0.839 664 K CB 2.144 34.658 32.500 0.024 0.000 1.244 664 K HN 0.776 nan 8.250 nan 0.000 0.443 665 G N 3.096 111.917 108.800 0.035 0.000 2.800 665 G HA2 0.389 4.350 3.960 0.003 0.000 0.340 665 G HA3 0.389 4.350 3.960 0.003 0.000 0.340 665 G C 0.206 175.119 174.900 0.022 0.000 1.089 665 G CA -0.907 44.205 45.100 0.020 0.000 1.144 665 G HN 0.682 nan 8.290 nan 0.000 0.461 666 I N -1.198 119.385 120.570 0.022 0.000 3.211 666 I HA 0.551 4.723 4.170 0.003 0.000 0.297 666 I C 0.089 176.225 176.117 0.030 0.000 1.095 666 I CA -0.936 60.378 61.300 0.023 0.000 1.239 666 I CB 0.864 38.875 38.000 0.018 0.000 1.455 666 I HN 0.134 nan 8.210 nan 0.000 0.630 667 K N 1.747 122.167 120.400 0.033 0.000 2.168 667 K HA 0.867 5.188 4.320 0.003 0.000 0.239 667 K C -0.856 175.764 176.600 0.033 0.000 0.999 667 K CA -0.987 55.327 56.287 0.046 0.000 0.900 667 K CB 1.679 34.211 32.500 0.053 0.000 1.111 667 K HN 0.837 nan 8.250 nan 0.000 0.452 668 A N 1.060 123.905 122.820 0.042 0.000 2.589 668 A HA 0.517 4.838 4.320 0.003 0.000 0.296 668 A C -1.517 176.058 177.584 -0.015 0.000 1.062 668 A CA -0.824 51.222 52.037 0.014 0.000 0.686 668 A CB 1.533 20.558 19.000 0.040 0.000 1.282 668 A HN 0.587 nan 8.150 nan 0.000 0.404 669 K N 0.256 120.606 120.400 -0.083 0.000 2.385 669 K HA 0.761 5.082 4.320 0.003 0.000 0.248 669 K C -1.286 175.263 176.600 -0.085 0.000 0.955 669 K CA -0.501 55.684 56.287 -0.170 0.000 0.816 669 K CB 2.447 34.767 32.500 -0.300 0.000 1.250 669 K HN 0.653 nan 8.250 nan 0.000 0.434 670 T N 2.432 116.964 114.554 -0.036 0.000 2.840 670 T HA 0.314 4.665 4.350 0.003 0.000 0.287 670 T C -1.027 173.628 174.700 -0.074 0.000 0.991 670 T CA -0.624 61.474 62.100 -0.003 0.000 0.964 670 T CB 0.973 69.945 68.868 0.173 0.000 0.954 670 T HN 0.303 nan 8.240 nan 0.000 0.438 671 K N 1.747 122.064 120.400 -0.138 0.000 2.206 671 K HA 0.780 5.101 4.320 0.003 0.000 0.264 671 K C 0.144 176.532 176.600 -0.354 0.000 0.967 671 K CA -0.448 55.722 56.287 -0.195 0.000 0.844 671 K CB 1.777 34.271 32.500 -0.009 0.000 1.099 671 K HN 0.791 nan 8.250 nan 0.000 0.441 672 G N 1.442 109.791 108.800 -0.752 0.000 2.506 672 G HA2 0.433 4.395 3.960 0.003 0.000 0.292 672 G HA3 0.433 4.395 3.960 0.003 0.000 0.292 672 G C -2.186 172.283 174.900 -0.720 0.000 1.425 672 G CA -0.804 43.826 45.100 -0.784 0.000 0.788 672 G HN 0.524 nan 8.290 nan 0.000 0.490 673 Y N -1.555 118.698 120.300 -0.077 0.000 2.588 673 Y HA 0.884 5.436 4.550 0.003 0.000 0.343 673 Y C -0.818 175.335 175.900 0.422 0.000 1.065 673 Y CA -1.302 56.932 58.100 0.223 0.000 1.038 673 Y CB 2.236 40.874 38.460 0.297 0.000 1.297 673 Y HN 0.708 nan 8.280 nan 0.000 0.467 674 E N 1.447 121.985 120.200 0.563 0.000 2.308 674 E HA 0.786 5.137 4.350 0.003 0.000 0.275 674 E C -1.820 175.005 176.600 0.375 0.000 0.890 674 E CA -1.086 55.562 56.400 0.414 0.000 0.754 674 E CB 2.089 31.986 29.700 0.328 0.000 1.207 674 E HN 1.040 nan 8.360 nan 0.000 0.426 675 A N 3.843 126.867 122.820 0.339 0.000 2.365 675 A HA 0.730 5.051 4.320 0.003 0.000 0.318 675 A C -1.089 176.614 177.584 0.198 0.000 1.091 675 A CA -0.589 51.600 52.037 0.254 0.000 0.763 675 A CB 1.153 20.286 19.000 0.222 0.000 1.248 675 A HN 0.678 nan 8.150 nan 0.000 0.442 676 E N 0.847 121.140 120.200 0.154 0.000 2.430 676 E HA 0.734 5.086 4.350 0.003 0.000 0.279 676 E C -1.539 175.118 176.600 0.094 0.000 1.003 676 E CA -0.741 55.726 56.400 0.112 0.000 0.801 676 E CB 2.010 31.762 29.700 0.087 0.000 1.313 676 E HN 0.694 nan 8.360 nan 0.000 0.459 677 I N 0.887 121.496 120.570 0.065 0.000 2.644 677 I HA 0.463 4.634 4.170 0.003 0.000 0.291 677 I C -1.890 174.248 176.117 0.035 0.000 1.180 677 I CA -0.194 61.130 61.300 0.039 0.000 1.040 677 I CB 1.940 39.936 38.000 -0.007 0.000 1.255 677 I HN 0.775 nan 8.210 nan 0.000 0.422 678 S N 5.017 120.740 115.700 0.037 0.000 2.572 678 S HA 1.011 5.482 4.470 0.003 0.000 0.274 678 S C -0.432 174.194 174.600 0.042 0.000 1.150 678 S CA 0.003 58.240 58.200 0.061 0.000 0.944 678 S CB 1.540 64.790 63.200 0.083 0.000 1.071 678 S HN 1.696 nan 8.310 nan 0.000 0.479 679 G N 1.654 110.472 108.800 0.030 0.000 2.270 679 G HA2 0.124 4.085 3.960 0.003 0.000 0.268 679 G HA3 0.124 4.085 3.960 0.003 0.000 0.268 679 G C -1.282 173.559 174.900 -0.098 0.000 1.312 679 G CA -0.534 44.564 45.100 -0.003 0.000 1.050 679 G HN 1.004 nan 8.290 nan 0.000 0.474 680 E N 0.045 120.199 120.200 -0.077 0.000 2.166 680 E HA 0.341 4.693 4.350 0.003 0.000 0.279 680 E C 0.806 177.313 176.600 -0.154 0.000 1.095 680 E CA -0.516 55.829 56.400 -0.092 0.000 0.888 680 E CB 0.590 30.271 29.700 -0.031 0.000 1.041 680 E HN 0.378 nan 8.360 nan 0.000 0.414 681 L N 4.462 125.531 121.223 -0.257 0.000 2.509 681 L HA 0.310 4.652 4.340 0.003 0.000 0.222 681 L C -0.016 176.755 176.870 -0.165 0.000 1.123 681 L CA 0.915 55.516 54.840 -0.399 0.000 0.856 681 L CB -0.020 41.458 42.059 -0.968 0.000 0.985 681 L HN 0.669 nan 8.230 nan 0.000 0.456 682 A N -2.773 120.064 122.820 0.028 0.000 2.549 682 A HA 0.435 4.756 4.320 0.003 0.000 0.297 682 A C -2.259 175.430 177.584 0.176 0.000 0.983 682 A CA -0.553 51.582 52.037 0.163 0.000 0.654 682 A CB -0.449 18.774 19.000 0.373 0.000 1.319 682 A HN -0.125 nan 8.150 nan 0.000 0.428 683 P HA -0.070 nan 4.420 nan 0.000 0.217 683 P C 1.215 178.569 177.300 0.090 0.000 1.151 683 P CA 2.297 65.453 63.100 0.093 0.000 0.849 683 P CB 0.242 31.983 31.700 0.069 0.000 0.787 684 G N -3.476 105.409 108.800 0.141 0.000 3.605 684 G HA2 0.111 4.072 3.960 0.003 0.000 0.277 684 G HA3 0.111 4.072 3.960 0.003 0.000 0.277 684 G C -1.067 173.958 174.900 0.208 0.000 1.093 684 G CA -0.105 45.021 45.100 0.044 0.000 0.821 684 G HN 0.116 nan 8.290 nan 0.000 0.532 685 W N 1.709 123.034 121.300 0.041 0.000 2.543 685 W HA 0.548 5.209 4.660 0.002 0.000 0.318 685 W C -0.936 175.527 176.519 -0.094 0.000 1.002 685 W CA -1.521 55.857 57.345 0.056 0.000 1.302 685 W CB 1.139 30.641 29.460 0.069 0.000 1.299 685 W HN -0.110 nan 8.180 nan 0.000 0.424 686 Q N 3.943 123.734 119.800 -0.015 0.000 2.266 686 Q HA 0.679 5.021 4.340 0.003 0.000 0.261 686 Q C -0.454 175.338 176.000 -0.345 0.000 0.985 686 Q CA -0.817 54.751 55.803 -0.393 0.000 0.873 686 Q CB 2.715 30.887 28.738 -0.943 0.000 1.306 686 Q HN 0.377 nan 8.270 nan 0.000 0.447 687 V N -0.658 119.115 119.914 -0.236 0.000 2.876 687 V HA 0.621 4.742 4.120 0.003 0.000 0.312 687 V C -0.838 175.380 176.094 0.206 0.000 1.085 687 V CA -1.046 61.249 62.300 -0.009 0.000 0.945 687 V CB 1.985 33.733 31.823 -0.126 0.000 1.017 687 V HN 0.782 nan 8.190 nan 0.000 0.428 688 Q N 1.872 121.863 119.800 0.319 0.000 2.303 688 Q HA 0.804 5.146 4.340 0.003 0.000 0.267 688 Q C -0.964 175.118 176.000 0.136 0.000 1.011 688 Q CA -0.287 55.650 55.803 0.223 0.000 0.740 688 Q CB 1.709 30.590 28.738 0.238 0.000 1.250 688 Q HN 1.385 nan 8.270 nan 0.000 0.458 689 A N 2.446 125.304 122.820 0.062 0.000 2.454 689 A HA 1.008 5.330 4.320 0.003 0.000 0.302 689 A C -0.649 176.960 177.584 0.041 0.000 1.079 689 A CA -0.157 51.890 52.037 0.017 0.000 0.731 689 A CB 1.962 20.959 19.000 -0.004 0.000 1.299 689 A HN 0.793 nan 8.150 nan 0.000 0.413 690 G N -1.036 107.787 108.800 0.039 0.000 2.708 690 G HA2 0.603 4.564 3.960 0.003 0.000 0.289 690 G HA3 0.603 4.564 3.960 0.003 0.000 0.289 690 G C -2.145 172.828 174.900 0.122 0.000 1.416 690 G CA -0.455 44.690 45.100 0.075 0.000 0.829 690 G HN 1.180 nan 8.290 nan 0.000 0.480 691 Y N 0.013 120.340 120.300 0.046 0.000 2.441 691 Y HA 0.658 5.210 4.550 0.003 0.000 0.334 691 Y C -0.733 175.198 175.900 0.052 0.000 1.061 691 Y CA -0.575 57.558 58.100 0.055 0.000 1.032 691 Y CB 2.350 40.862 38.460 0.087 0.000 1.266 691 Y HN 0.655 nan 8.280 nan 0.000 0.441 692 T N 4.719 119.042 114.554 -0.385 0.000 2.952 692 T HA 0.304 4.656 4.350 0.003 0.000 0.305 692 T C -2.052 172.523 174.700 -0.208 0.000 1.064 692 T CA -0.646 61.380 62.100 -0.124 0.000 1.008 692 T CB 1.135 69.936 68.868 -0.111 0.000 1.078 692 T HN 0.665 nan 8.240 nan 0.000 0.459 693 H N 2.202 121.107 119.070 -0.273 0.000 2.658 693 H HA 0.662 5.219 4.556 0.003 0.000 0.337 693 H C -0.882 174.318 175.328 -0.214 0.000 1.009 693 H CA -0.742 55.110 56.048 -0.327 0.000 1.231 693 H CB 0.786 30.173 29.762 -0.624 0.000 1.508 693 H HN 0.564 nan 8.280 nan 0.000 0.517 694 K N 5.112 125.100 120.400 -0.687 0.000 2.469 694 K HA 0.552 4.874 4.320 0.003 0.000 0.254 694 K C -1.856 174.435 176.600 -0.515 0.000 0.939 694 K CA -0.688 55.317 56.287 -0.470 0.000 0.812 694 K CB 1.522 33.922 32.500 -0.166 0.000 1.301 694 K HN 0.502 nan 8.250 nan 0.000 0.433 695 I N 3.559 123.920 120.570 -0.349 0.000 2.534 695 I HA 0.419 4.591 4.170 0.003 0.000 0.288 695 I C -1.070 174.951 176.117 -0.161 0.000 1.077 695 I CA -1.010 60.161 61.300 -0.216 0.000 1.051 695 I CB 1.916 39.843 38.000 -0.121 0.000 1.234 695 I HN 0.773 nan 8.210 nan 0.000 0.425 696 I N 6.924 127.391 120.570 -0.171 0.000 2.355 696 I HA 0.450 4.622 4.170 0.003 0.000 0.288 696 I C -0.496 175.541 176.117 -0.133 0.000 0.999 696 I CA -0.270 60.931 61.300 -0.165 0.000 1.163 696 I CB 0.484 38.325 38.000 -0.265 0.000 1.316 696 I HN 0.593 nan 8.210 nan 0.000 0.454 697 R N 4.820 125.261 120.500 -0.098 0.000 2.732 697 R HA 0.467 4.809 4.340 0.003 0.000 0.278 697 R C -0.874 175.388 176.300 -0.063 0.000 0.976 697 R CA -1.118 54.940 56.100 -0.070 0.000 0.963 697 R CB 0.896 31.169 30.300 -0.045 0.000 1.150 697 R HN 0.467 nan 8.270 nan 0.000 0.478 698 D N 1.493 121.865 120.400 -0.047 0.000 2.474 698 D HA -0.097 4.544 4.640 0.003 0.000 0.232 698 D C 0.884 177.169 176.300 -0.025 0.000 1.177 698 D CA 0.520 54.502 54.000 -0.031 0.000 0.876 698 D CB 0.420 41.207 40.800 -0.023 0.000 1.208 698 D HN 0.515 nan 8.370 nan 0.000 0.464 699 D N 0.332 120.724 120.400 -0.013 0.000 3.523 699 D HA -0.295 4.347 4.640 0.003 0.000 0.258 699 D C 1.686 177.982 176.300 -0.007 0.000 1.189 699 D CA 2.746 56.743 54.000 -0.004 0.000 0.935 699 D CB -0.484 40.318 40.800 0.002 0.000 1.003 699 D HN 0.415 nan 8.370 nan 0.000 0.545 700 S N -1.543 114.152 115.700 -0.008 0.000 2.561 700 S HA 0.195 4.666 4.470 0.003 0.000 0.225 700 S C 1.661 176.255 174.600 -0.011 0.000 0.977 700 S CA 1.259 59.453 58.200 -0.009 0.000 0.926 700 S CB 0.397 63.591 63.200 -0.011 0.000 0.769 700 S HN 0.691 nan 8.310 nan 0.000 0.533 701 G N 1.315 110.107 108.800 -0.014 0.000 2.159 701 G HA2 -0.315 3.646 3.960 0.003 0.000 0.256 701 G HA3 -0.315 3.646 3.960 0.003 0.000 0.256 701 G C -0.060 174.835 174.900 -0.009 0.000 0.977 701 G CA 0.335 45.428 45.100 -0.012 0.000 0.652 701 G HN 0.904 nan 8.290 nan 0.000 0.531 702 K N 0.904 121.297 120.400 -0.012 0.000 2.270 702 K HA 0.497 4.819 4.320 0.003 0.000 0.276 702 K C 0.408 177.005 176.600 -0.006 0.000 1.023 702 K CA -0.468 55.815 56.287 -0.007 0.000 0.955 702 K CB 0.483 32.973 32.500 -0.017 0.000 0.975 702 K HN 0.149 nan 8.250 nan 0.000 0.471 703 K N 2.107 122.523 120.400 0.026 0.000 2.185 703 K HA 0.283 4.605 4.320 0.003 0.000 0.271 703 K C -0.966 175.616 176.600 -0.029 0.000 1.013 703 K CA -0.639 55.659 56.287 0.020 0.000 0.943 703 K CB 1.613 34.190 32.500 0.127 0.000 0.998 703 K HN 0.337 nan 8.250 nan 0.000 0.468 704 V N 1.193 121.043 119.914 -0.106 0.000 3.114 704 V HA 0.099 4.221 4.120 0.003 0.000 0.308 704 V C -0.576 175.375 176.094 -0.237 0.000 1.168 704 V CA -0.523 61.690 62.300 -0.145 0.000 1.015 704 V CB 2.132 33.877 31.823 -0.131 0.000 1.050 704 V HN 0.983 nan 8.190 nan 0.000 0.433 705 S N 1.047 116.612 115.700 -0.224 0.000 3.521 705 S HA -0.225 4.246 4.470 0.003 0.000 0.362 705 S C 1.492 175.816 174.600 -0.460 0.000 1.044 705 S CA 1.296 59.313 58.200 -0.305 0.000 1.091 705 S CB -1.446 61.531 63.200 -0.372 0.000 0.908 705 S HN 1.402 nan 8.310 nan 0.000 0.473 706 T N -2.149 112.120 114.554 -0.474 0.000 2.897 706 T HA -0.176 4.175 4.350 0.003 0.000 0.271 706 T C 1.257 175.463 174.700 -0.823 0.000 1.084 706 T CA 1.198 62.763 62.100 -0.893 0.000 1.123 706 T CB -0.429 67.692 68.868 -1.245 0.000 0.865 706 T HN 0.774 nan 8.240 nan 0.000 0.496 707 W N 1.727 122.644 121.300 -0.638 0.000 2.436 707 W HA 0.168 4.830 4.660 0.002 0.000 0.284 707 W C 0.766 176.993 176.519 -0.486 0.000 1.225 707 W CA 0.219 57.307 57.345 -0.428 0.000 1.271 707 W CB 0.070 29.420 29.460 -0.183 0.000 1.114 707 W HN 0.334 nan 8.180 nan 0.000 0.559 708 E N 2.600 122.298 120.200 -0.837 0.000 2.324 708 E HA 0.056 4.407 4.350 0.003 0.000 0.271 708 E C -2.233 173.967 176.600 -0.668 0.000 1.028 708 E CA -1.866 53.955 56.400 -0.966 0.000 0.890 708 E CB 1.025 29.936 29.700 -1.314 0.000 1.004 708 E HN -0.174 nan 8.360 nan 0.000 0.431 709 P HA 0.090 nan 4.420 nan 0.000 0.282 709 P C -0.150 176.919 177.300 -0.386 0.000 1.249 709 P CA -0.067 62.749 63.100 -0.472 0.000 0.806 709 P CB 1.144 32.542 31.700 -0.503 0.000 0.984 710 Q N 0.523 120.152 119.800 -0.284 0.000 2.234 710 Q HA -0.117 4.225 4.340 0.003 0.000 0.206 710 Q C -0.372 175.512 176.000 -0.192 0.000 0.980 710 Q CA 1.609 57.276 55.803 -0.228 0.000 0.869 710 Q CB 0.000 28.689 28.738 -0.082 0.000 0.912 710 Q HN 0.621 nan 8.270 nan 0.000 0.436 711 D N -0.636 119.647 120.400 -0.196 0.000 2.879 711 D HA 0.220 4.862 4.640 0.003 0.000 0.236 711 D C -1.191 174.831 176.300 -0.463 0.000 1.171 711 D CA -0.548 53.337 54.000 -0.192 0.000 0.868 711 D CB 1.460 42.347 40.800 0.145 0.000 1.598 711 D HN -0.001 nan 8.370 nan 0.000 0.497 712 Q N 0.885 120.361 119.800 -0.541 0.000 2.416 712 Q HA 0.766 5.108 4.340 0.003 0.000 0.281 712 Q C -1.809 173.857 176.000 -0.556 0.000 1.067 712 Q CA -1.271 54.210 55.803 -0.537 0.000 0.809 712 Q CB 2.484 30.954 28.738 -0.446 0.000 1.418 712 Q HN 0.399 nan 8.270 nan 0.000 0.411 713 L N 0.360 121.422 121.223 -0.269 0.000 2.422 713 L HA 0.802 5.144 4.340 0.003 0.000 0.264 713 L C -1.556 175.249 176.870 -0.109 0.000 0.984 713 L CA -0.068 54.714 54.840 -0.097 0.000 0.819 713 L CB 2.771 44.911 42.059 0.134 0.000 1.330 713 L HN 0.774 nan 8.230 nan 0.000 0.410 714 S N 4.456 120.099 115.700 -0.096 0.000 2.614 714 S HA 0.771 5.242 4.470 0.003 0.000 0.275 714 S C -1.691 172.750 174.600 -0.265 0.000 1.161 714 S CA -0.463 57.613 58.200 -0.207 0.000 0.969 714 S CB 1.371 64.493 63.200 -0.131 0.000 1.059 714 S HN 0.776 nan 8.310 nan 0.000 0.482 715 L N 4.363 125.269 121.223 -0.529 0.000 2.516 715 L HA 0.676 5.017 4.340 0.003 0.000 0.267 715 L C -2.243 174.184 176.870 -0.739 0.000 0.957 715 L CA -0.511 54.079 54.840 -0.417 0.000 0.860 715 L CB 1.071 43.044 42.059 -0.144 0.000 1.265 715 L HN 0.683 nan 8.230 nan 0.000 0.403 716 Y N 2.739 123.048 120.300 0.015 0.000 2.391 716 Y HA 0.706 5.258 4.550 0.003 0.000 0.341 716 Y C 0.144 176.209 175.900 0.274 0.000 0.965 716 Y CA -0.705 57.423 58.100 0.047 0.000 1.067 716 Y CB 2.444 40.737 38.460 -0.278 0.000 1.199 716 Y HN 0.501 nan 8.280 nan 0.000 0.450 717 T N 2.099 116.988 114.554 0.558 0.000 2.933 717 T HA 0.700 5.051 4.350 0.003 0.000 0.305 717 T C -1.021 173.998 174.700 0.531 0.000 1.092 717 T CA -0.583 61.794 62.100 0.461 0.000 1.008 717 T CB 0.861 69.965 68.868 0.393 0.000 1.102 717 T HN 0.739 nan 8.240 nan 0.000 0.469 718 S N 3.222 119.155 115.700 0.389 0.000 2.632 718 S HA 0.835 5.307 4.470 0.003 0.000 0.289 718 S C -1.741 173.024 174.600 0.275 0.000 1.115 718 S CA -0.737 57.635 58.200 0.287 0.000 0.889 718 S CB 1.942 65.287 63.200 0.243 0.000 1.116 718 S HN 0.777 nan 8.310 nan 0.000 0.486 719 Y N 0.546 120.808 120.300 -0.065 0.000 2.470 719 Y HA 0.615 5.167 4.550 0.003 0.000 0.341 719 Y C -1.297 174.426 175.900 -0.294 0.000 1.021 719 Y CA -0.929 57.017 58.100 -0.257 0.000 1.025 719 Y CB 1.712 39.820 38.460 -0.586 0.000 1.266 719 Y HN 0.737 nan 8.280 nan 0.000 0.448 720 K N 6.508 126.387 120.400 -0.868 0.000 2.367 720 K HA 0.310 4.631 4.320 0.003 0.000 0.263 720 K C -1.142 174.860 176.600 -0.996 0.000 1.000 720 K CA -0.376 55.521 56.287 -0.651 0.000 0.891 720 K CB 0.407 32.711 32.500 -0.328 0.000 1.117 720 K HN 0.601 nan 8.250 nan 0.000 0.443 721 F N 1.656 121.226 119.950 -0.633 0.000 2.435 721 F HA 0.192 4.720 4.527 0.002 0.000 0.316 721 F C 1.495 177.133 175.800 -0.270 0.000 1.220 721 F CA 0.319 58.043 58.000 -0.460 0.000 1.241 721 F CB 0.628 39.516 39.000 -0.187 0.000 1.234 721 F HN 0.166 nan 8.300 nan 0.000 0.569 722 K N -0.134 120.309 120.400 0.071 0.000 2.303 722 K HA 0.610 4.931 4.320 0.003 0.000 0.233 722 K C 0.509 177.138 176.600 0.048 0.000 1.046 722 K CA -0.222 56.082 56.287 0.029 0.000 0.895 722 K CB 1.458 33.975 32.500 0.028 0.000 1.220 722 K HN 0.764 nan 8.250 nan 0.000 0.470 723 G N 0.568 109.380 108.800 0.021 0.000 2.583 723 G HA2 -0.409 3.553 3.960 0.003 0.000 0.292 723 G HA3 -0.409 3.553 3.960 0.003 0.000 0.292 723 G C 0.873 175.774 174.900 0.002 0.000 1.203 723 G CA 0.567 45.675 45.100 0.014 0.000 0.987 723 G HN 0.673 nan 8.290 nan 0.000 0.554 724 A N -0.759 122.060 122.820 -0.002 0.000 1.933 724 A HA 0.291 4.612 4.320 0.003 0.000 0.218 724 A C 2.331 179.904 177.584 -0.018 0.000 1.175 724 A CA 2.019 54.050 52.037 -0.010 0.000 0.628 724 A CB -0.292 18.699 19.000 -0.016 0.000 0.814 724 A HN 0.969 nan 8.150 nan 0.000 0.444 725 L N 0.691 121.889 121.223 -0.042 0.000 2.715 725 L HA 0.040 4.382 4.340 0.003 0.000 0.238 725 L C 0.788 177.639 176.870 -0.031 0.000 1.212 725 L CA 0.357 55.146 54.840 -0.084 0.000 1.017 725 L CB -0.252 41.628 42.059 -0.299 0.000 1.269 725 L HN 0.537 nan 8.230 nan 0.000 0.452 726 D N -1.692 118.687 120.400 -0.034 0.000 2.340 726 D HA -0.110 4.532 4.640 0.003 0.000 0.220 726 D C 1.504 177.725 176.300 -0.132 0.000 1.039 726 D CA 0.336 54.308 54.000 -0.046 0.000 0.866 726 D CB 0.320 41.097 40.800 -0.039 0.000 0.913 726 D HN -0.035 nan 8.370 nan 0.000 0.523 727 K N -0.653 119.596 120.400 -0.252 0.000 2.361 727 K HA 0.270 4.592 4.320 0.003 0.000 0.194 727 K C -0.062 176.169 176.600 -0.615 0.000 1.032 727 K CA -0.258 55.728 56.287 -0.502 0.000 1.048 727 K CB 0.254 32.303 32.500 -0.753 0.000 0.842 727 K HN 0.133 nan 8.250 nan 0.000 0.526 728 L N 0.986 122.032 121.223 -0.295 0.000 2.305 728 L HA 0.313 4.655 4.340 0.003 0.000 0.281 728 L C -0.856 176.084 176.870 0.117 0.000 1.085 728 L CA 0.513 55.361 54.840 0.012 0.000 0.813 728 L CB 1.204 43.358 42.059 0.157 0.000 1.157 728 L HN -0.032 nan 8.230 nan 0.000 0.436 729 T N 4.308 118.917 114.554 0.091 0.000 2.861 729 T HA 0.699 5.051 4.350 0.003 0.000 0.287 729 T C -0.805 173.956 174.700 0.102 0.000 1.003 729 T CA -0.492 61.637 62.100 0.048 0.000 0.977 729 T CB 1.724 70.579 68.868 -0.022 0.000 0.996 729 T HN 0.382 nan 8.240 nan 0.000 0.448 730 V N 1.531 121.508 119.914 0.104 0.000 2.823 730 V HA 0.977 5.098 4.120 0.003 0.000 0.312 730 V C 0.223 176.367 176.094 0.083 0.000 1.072 730 V CA -0.361 62.019 62.300 0.132 0.000 0.937 730 V CB 2.281 34.276 31.823 0.287 0.000 1.013 730 V HN 1.160 nan 8.190 nan 0.000 0.430 731 G N 1.133 109.975 108.800 0.070 0.000 2.660 731 G HA2 0.817 4.778 3.960 0.003 0.000 0.290 731 G HA3 0.817 4.778 3.960 0.003 0.000 0.290 731 G C -0.743 174.274 174.900 0.196 0.000 1.432 731 G CA 0.025 45.200 45.100 0.125 0.000 0.807 731 G HN 1.226 nan 8.290 nan 0.000 0.485 732 G N -2.025 107.013 108.800 0.397 0.000 2.548 732 G HA2 0.951 4.913 3.960 0.003 0.000 0.301 732 G HA3 0.951 4.913 3.960 0.003 0.000 0.301 732 G C -0.607 174.621 174.900 0.546 0.000 1.349 732 G CA 0.274 45.633 45.100 0.431 0.000 0.792 732 G HN 1.896 nan 8.290 nan 0.000 0.481 733 G N -1.880 107.147 108.800 0.378 0.000 2.579 733 G HA2 0.833 4.795 3.960 0.003 0.000 0.292 733 G HA3 0.833 4.795 3.960 0.003 0.000 0.292 733 G C -1.303 173.611 174.900 0.023 0.000 1.484 733 G CA 0.502 45.686 45.100 0.140 0.000 0.813 733 G HN 1.922 nan 8.290 nan 0.000 0.515 734 A N 0.585 123.273 122.820 -0.220 0.000 2.455 734 A HA 0.915 5.236 4.320 0.003 0.000 0.300 734 A C -0.535 177.002 177.584 -0.078 0.000 1.040 734 A CA -0.664 51.389 52.037 0.027 0.000 0.697 734 A CB 2.000 21.098 19.000 0.164 0.000 1.265 734 A HN 0.886 nan 8.150 nan 0.000 0.407 735 R N 1.046 121.580 120.500 0.056 0.000 2.599 735 R HA 0.597 4.939 4.340 0.003 0.000 0.295 735 R C -1.897 174.358 176.300 -0.074 0.000 0.963 735 R CA -0.464 55.596 56.100 -0.068 0.000 0.883 735 R CB 1.465 31.678 30.300 -0.144 0.000 1.171 735 R HN 0.827 nan 8.270 nan 0.000 0.450 736 W N 5.025 126.006 121.300 -0.532 0.000 2.883 736 W HA 0.328 4.990 4.660 0.002 0.000 0.335 736 W C -1.571 174.486 176.519 -0.771 0.000 1.083 736 W CA -0.394 56.344 57.345 -1.011 0.000 1.233 736 W CB 1.468 29.801 29.460 -1.879 0.000 1.412 736 W HN 0.631 nan 8.180 nan 0.000 0.490 737 Q N 4.217 122.918 119.800 -1.832 0.000 2.495 737 Q HA 0.835 5.176 4.340 0.003 0.000 0.287 737 Q C -0.208 174.543 176.000 -2.082 0.000 1.078 737 Q CA -1.182 53.554 55.803 -1.778 0.000 0.793 737 Q CB 2.136 30.251 28.738 -1.038 0.000 1.459 737 Q HN 0.630 nan 8.270 nan 0.000 0.422 738 G N 0.801 108.715 108.800 -1.476 0.000 2.543 738 G HA2 0.348 4.310 3.960 0.003 0.000 0.290 738 G HA3 0.348 4.310 3.960 0.003 0.000 0.290 738 G C -0.792 173.900 174.900 -0.347 0.000 1.310 738 G CA -0.987 43.670 45.100 -0.739 0.000 1.025 738 G HN 0.526 nan 8.290 nan 0.000 0.502 739 K N -0.221 120.131 120.400 -0.080 0.000 2.548 739 K HA 0.109 4.431 4.320 0.003 0.000 0.277 739 K C 0.463 177.077 176.600 0.023 0.000 1.001 739 K CA 0.793 57.122 56.287 0.070 0.000 1.102 739 K CB 0.132 32.752 32.500 0.200 0.000 0.848 739 K HN 0.622 nan 8.250 nan 0.000 0.487 740 S N 2.262 117.967 115.700 0.008 0.000 2.599 740 S HA 0.831 5.302 4.470 0.003 0.000 0.294 740 S C -1.363 173.425 174.600 0.313 0.000 1.094 740 S CA -1.128 57.002 58.200 -0.117 0.000 0.931 740 S CB 1.191 64.021 63.200 -0.617 0.000 1.093 740 S HN 0.723 nan 8.310 nan 0.000 0.488 741 W N -0.258 121.187 121.300 0.241 0.000 3.074 741 W HA 0.776 5.438 4.660 0.003 0.000 0.332 741 W C -1.836 174.907 176.519 0.373 0.000 1.253 741 W CA -0.734 56.828 57.345 0.360 0.000 1.180 741 W CB 0.956 30.530 29.460 0.190 0.000 1.445 741 W HN 0.588 nan 8.180 nan 0.000 0.573 742 Q N 1.993 122.088 119.800 0.491 0.000 2.347 742 Q HA 0.439 4.780 4.340 0.003 0.000 0.271 742 Q C -1.314 174.930 176.000 0.406 0.000 1.064 742 Q CA -1.184 54.781 55.803 0.271 0.000 0.800 742 Q CB 2.501 31.233 28.738 -0.009 0.000 1.304 742 Q HN 0.720 nan 8.270 nan 0.000 0.438 743 M N 3.009 122.817 119.600 0.347 0.000 2.077 743 M HA 0.292 4.774 4.480 0.003 0.000 0.348 743 M C -0.669 175.945 176.300 0.524 0.000 1.252 743 M CA -0.563 54.968 55.300 0.386 0.000 1.096 743 M CB 0.489 33.209 32.600 0.199 0.000 1.568 743 M HN 0.362 nan 8.290 nan 0.000 0.456 744 V N 3.308 123.596 119.914 0.624 0.000 2.815 744 V HA 0.606 4.727 4.120 0.003 0.000 0.314 744 V C -1.585 174.790 176.094 0.469 0.000 1.064 744 V CA -0.881 61.747 62.300 0.546 0.000 0.952 744 V CB 1.862 33.916 31.823 0.386 0.000 1.020 744 V HN 0.694 nan 8.190 nan 0.000 0.439 745 Y N 3.986 124.237 120.300 -0.082 0.000 2.417 745 Y HA 0.477 5.029 4.550 0.003 0.000 0.336 745 Y C 0.354 176.048 175.900 -0.344 0.000 0.961 745 Y CA -0.725 57.013 58.100 -0.603 0.000 1.215 745 Y CB 0.883 38.632 38.460 -1.184 0.000 1.120 745 Y HN 0.930 nan 8.280 nan 0.000 0.499 746 N N 5.632 123.854 118.700 -0.796 0.000 2.402 746 N HA -0.074 4.668 4.740 0.003 0.000 0.259 746 N C 0.620 175.463 175.510 -1.111 0.000 1.167 746 N CA 0.538 52.879 53.050 -1.181 0.000 0.949 746 N CB 0.201 37.836 38.487 -1.422 0.000 1.212 746 N HN 0.919 nan 8.380 nan 0.000 0.493 747 N N 4.841 123.104 118.700 -0.728 0.000 2.080 747 N HA -0.034 4.708 4.740 0.003 0.000 0.189 747 N C -1.209 174.051 175.510 -0.416 0.000 1.036 747 N CA 1.011 53.778 53.050 -0.471 0.000 0.846 747 N CB -0.485 37.885 38.487 -0.196 0.000 1.015 747 N HN 0.500 nan 8.380 nan 0.000 0.423 748 P HA -0.054 nan 4.420 nan 0.000 0.225 748 P C 0.596 177.709 177.300 -0.311 0.000 1.148 748 P CA 1.180 64.095 63.100 -0.307 0.000 0.779 748 P CB -0.046 31.486 31.700 -0.280 0.000 0.780 749 R N -1.374 118.877 120.500 -0.416 0.000 2.397 749 R HA 0.246 4.587 4.340 0.003 0.000 0.241 749 R C 0.328 176.400 176.300 -0.380 0.000 0.914 749 R CA -0.042 55.846 56.100 -0.352 0.000 1.071 749 R CB 0.012 30.106 30.300 -0.344 0.000 1.116 749 R HN -0.104 nan 8.270 nan 0.000 0.524 750 S N 1.451 116.831 115.700 -0.534 0.000 3.697 750 S HA -0.168 4.304 4.470 0.003 0.000 0.388 750 S C -0.609 173.724 174.600 -0.444 0.000 0.941 750 S CA 1.053 58.956 58.200 -0.496 0.000 1.247 750 S CB -0.926 62.161 63.200 -0.188 0.000 0.904 750 S HN 0.632 nan 8.310 nan 0.000 0.518 751 R N -1.397 118.656 120.500 -0.744 0.000 2.634 751 R HA 0.510 4.852 4.340 0.003 0.000 0.263 751 R C -1.290 174.742 176.300 -0.446 0.000 1.060 751 R CA -1.153 54.718 56.100 -0.381 0.000 0.898 751 R CB 0.439 30.604 30.300 -0.224 0.000 1.253 751 R HN 0.159 nan 8.270 nan 0.000 0.461 752 W N 1.849 123.154 121.300 0.007 0.000 2.238 752 W HA 0.282 4.943 4.660 0.002 0.000 0.321 752 W C 0.117 176.645 176.519 0.015 0.000 1.293 752 W CA 0.180 57.580 57.345 0.092 0.000 1.204 752 W CB 0.982 30.529 29.460 0.145 0.000 1.167 752 W HN 0.451 nan 8.180 nan 0.000 0.553 753 E N 1.795 122.174 120.200 0.299 0.000 2.238 753 E HA 0.241 4.593 4.350 0.003 0.000 0.267 753 E C -0.997 175.714 176.600 0.186 0.000 0.887 753 E CA -1.372 55.112 56.400 0.140 0.000 0.769 753 E CB 1.994 31.702 29.700 0.014 0.000 1.187 753 E HN 0.207 nan 8.360 nan 0.000 0.416 754 K N 2.771 123.193 120.400 0.037 0.000 2.248 754 K HA 0.278 4.599 4.320 0.003 0.000 0.281 754 K C -1.415 175.144 176.600 -0.068 0.000 1.054 754 K CA -0.259 56.076 56.287 0.080 0.000 0.903 754 K CB 0.402 32.910 32.500 0.014 0.000 1.077 754 K HN 0.292 nan 8.250 nan 0.000 0.474 755 F N 2.225 122.273 119.950 0.164 0.000 2.420 755 F HA 0.311 4.839 4.527 0.003 0.000 0.342 755 F C 0.030 175.963 175.800 0.222 0.000 1.113 755 F CA -0.297 57.773 58.000 0.117 0.000 1.059 755 F CB 2.069 41.072 39.000 0.006 0.000 1.128 755 F HN 0.408 nan 8.300 nan 0.000 0.475 756 S N 2.142 118.047 115.700 0.341 0.000 2.503 756 S HA 0.459 4.931 4.470 0.003 0.000 0.301 756 S C -0.993 173.828 174.600 0.367 0.000 1.087 756 S CA -0.764 57.652 58.200 0.360 0.000 1.042 756 S CB 1.767 65.097 63.200 0.217 0.000 1.043 756 S HN 0.497 nan 8.310 nan 0.000 0.489 757 Q N 2.595 122.629 119.800 0.391 0.000 2.368 757 Q HA 0.268 4.609 4.340 0.003 0.000 0.263 757 Q C -0.846 175.277 176.000 0.205 0.000 1.009 757 Q CA -0.442 55.547 55.803 0.310 0.000 0.818 757 Q CB 0.418 29.326 28.738 0.283 0.000 1.239 757 Q HN 0.666 nan 8.270 nan 0.000 0.464 758 E N 3.009 123.328 120.200 0.198 0.000 2.415 758 E HA 0.046 4.398 4.350 0.003 0.000 0.262 758 E C -0.289 176.420 176.600 0.182 0.000 1.038 758 E CA -0.202 56.300 56.400 0.169 0.000 0.921 758 E CB 0.333 30.134 29.700 0.168 0.000 0.950 758 E HN 0.685 nan 8.360 nan 0.000 0.438 759 D N 2.239 122.696 120.400 0.094 0.000 2.667 759 D HA -0.164 4.477 4.640 0.003 0.000 0.226 759 D C -0.389 175.988 176.300 0.129 0.000 1.137 759 D CA 0.671 54.644 54.000 -0.047 0.000 0.855 759 D CB 0.080 40.900 40.800 0.033 0.000 1.194 759 D HN 0.523 nan 8.370 nan 0.000 0.492 760 Y N -2.148 117.980 120.300 -0.286 0.000 2.624 760 Y HA 0.585 5.137 4.550 0.002 0.000 0.334 760 Y C -1.876 173.923 175.900 -0.169 0.000 1.155 760 Y CA -1.835 56.203 58.100 -0.102 0.000 1.046 760 Y CB 0.415 38.817 38.460 -0.097 0.000 1.316 760 Y HN 0.329 nan 8.280 nan 0.000 0.457 761 W N 2.436 123.784 121.300 0.079 0.000 2.516 761 W HA 0.783 5.444 4.660 0.003 0.000 0.343 761 W C -1.130 175.400 176.519 0.019 0.000 1.094 761 W CA -0.904 56.446 57.345 0.008 0.000 1.250 761 W CB 1.586 31.107 29.460 0.102 0.000 1.308 761 W HN 0.472 nan 8.180 nan 0.000 0.588 762 L N 2.958 124.315 121.223 0.224 0.000 2.325 762 L HA 0.535 4.876 4.340 0.003 0.000 0.281 762 L C -0.590 176.446 176.870 0.276 0.000 1.004 762 L CA -1.035 53.938 54.840 0.222 0.000 0.823 762 L CB 1.033 43.151 42.059 0.099 0.000 1.236 762 L HN 0.058 nan 8.230 nan 0.000 0.415 763 V N 2.183 122.286 119.914 0.314 0.000 2.483 763 V HA 0.434 4.556 4.120 0.003 0.000 0.295 763 V C -0.617 175.593 176.094 0.193 0.000 1.035 763 V CA -0.512 61.945 62.300 0.261 0.000 0.896 763 V CB 1.964 33.981 31.823 0.323 0.000 0.986 763 V HN 0.829 nan 8.190 nan 0.000 0.447 764 D N 3.905 124.439 120.400 0.223 0.000 2.493 764 D HA 0.795 5.437 4.640 0.003 0.000 0.239 764 D C -0.858 175.580 176.300 0.231 0.000 1.049 764 D CA -0.666 53.463 54.000 0.216 0.000 1.008 764 D CB 1.902 42.869 40.800 0.278 0.000 1.398 764 D HN 0.325 nan 8.370 nan 0.000 0.513 765 L N -0.261 121.055 121.223 0.155 0.000 2.415 765 L HA 0.672 5.014 4.340 0.003 0.000 0.256 765 L C -1.090 175.800 176.870 0.033 0.000 1.010 765 L CA -1.000 53.898 54.840 0.097 0.000 0.826 765 L CB 2.221 44.290 42.059 0.017 0.000 1.405 765 L HN 0.488 nan 8.230 nan 0.000 0.410 766 M N 2.311 121.902 119.600 -0.016 0.000 2.414 766 M HA 0.794 5.276 4.480 0.003 0.000 0.287 766 M C -2.355 173.898 176.300 -0.079 0.000 1.181 766 M CA -0.235 54.993 55.300 -0.119 0.000 0.933 766 M CB 2.326 34.735 32.600 -0.318 0.000 1.732 766 M HN 0.717 nan 8.290 nan 0.000 0.486 767 A N 3.910 126.684 122.820 -0.076 0.000 2.547 767 A HA 0.848 5.170 4.320 0.003 0.000 0.297 767 A C -1.684 175.901 177.584 0.002 0.000 1.056 767 A CA -0.736 51.296 52.037 -0.008 0.000 0.688 767 A CB 1.900 20.922 19.000 0.036 0.000 1.282 767 A HN 0.908 nan 8.150 nan 0.000 0.400 768 R N 0.950 121.472 120.500 0.037 0.000 2.575 768 R HA 0.608 4.950 4.340 0.003 0.000 0.293 768 R C -2.169 174.198 176.300 0.111 0.000 0.983 768 R CA -0.458 55.671 56.100 0.049 0.000 0.887 768 R CB 1.578 31.875 30.300 -0.004 0.000 1.184 768 R HN 0.795 nan 8.270 nan 0.000 0.445 769 Y N 1.887 122.188 120.300 0.002 0.000 2.409 769 Y HA 0.244 4.795 4.550 0.002 0.000 0.343 769 Y C -0.646 175.256 175.900 0.002 0.000 0.973 769 Y CA -0.635 57.466 58.100 0.003 0.000 1.064 769 Y CB 2.097 40.557 38.460 -0.000 0.000 1.207 769 Y HN 0.483 nan 8.280 nan 0.000 0.452 770 Q N 5.441 125.055 119.800 -0.311 0.000 2.673 770 Q HA 0.320 4.661 4.340 0.003 0.000 0.224 770 Q C 0.080 176.060 176.000 -0.033 0.000 1.226 770 Q CA 0.323 56.041 55.803 -0.142 0.000 1.019 770 Q CB -0.217 28.398 28.738 -0.206 0.000 1.312 770 Q HN 0.912 nan 8.270 nan 0.000 0.566 771 I N -0.103 120.586 120.570 0.198 0.000 2.248 771 I HA -0.205 3.967 4.170 0.003 0.000 0.248 771 I C 0.860 177.042 176.117 0.107 0.000 1.107 771 I CA 1.083 62.528 61.300 0.241 0.000 1.373 771 I CB -0.063 38.033 38.000 0.159 0.000 1.055 771 I HN 0.372 nan 8.210 nan 0.000 0.418 772 T N -1.388 113.198 114.554 0.054 0.000 2.838 772 T HA 0.185 4.536 4.350 0.003 0.000 0.292 772 T C 0.025 174.740 174.700 0.025 0.000 1.113 772 T CA -0.586 61.532 62.100 0.031 0.000 1.008 772 T CB 1.836 70.715 68.868 0.017 0.000 1.259 772 T HN -0.071 nan 8.240 nan 0.000 0.520 773 D N 0.581 120.998 120.400 0.030 0.000 2.144 773 D HA -0.053 4.588 4.640 0.003 0.000 0.199 773 D C 1.517 177.857 176.300 0.068 0.000 0.984 773 D CA 1.037 55.058 54.000 0.036 0.000 0.834 773 D CB 0.185 41.008 40.800 0.038 0.000 0.955 773 D HN 0.101 nan 8.370 nan 0.000 0.465 774 K N -0.505 119.958 120.400 0.106 0.000 2.361 774 K HA 0.305 4.627 4.320 0.003 0.000 0.194 774 K C -0.052 176.670 176.600 0.202 0.000 1.032 774 K CA -0.156 56.251 56.287 0.199 0.000 1.048 774 K CB 0.567 33.264 32.500 0.328 0.000 0.842 774 K HN 0.141 nan 8.250 nan 0.000 0.526 775 L N 1.402 122.684 121.223 0.098 0.000 2.372 775 L HA 0.291 4.632 4.340 0.003 0.000 0.274 775 L C -0.658 176.251 176.870 0.065 0.000 0.988 775 L CA -0.275 54.611 54.840 0.077 0.000 0.833 775 L CB 1.620 43.675 42.059 -0.005 0.000 1.236 775 L HN 0.039 nan 8.230 nan 0.000 0.410 776 S N 3.437 119.178 115.700 0.069 0.000 2.578 776 S HA 0.963 5.434 4.470 0.003 0.000 0.301 776 S C -0.561 174.086 174.600 0.078 0.000 1.091 776 S CA -0.514 57.722 58.200 0.061 0.000 1.032 776 S CB 2.097 65.311 63.200 0.023 0.000 1.064 776 S HN 0.783 nan 8.310 nan 0.000 0.508 777 A N 1.749 124.628 122.820 0.098 0.000 2.374 777 A HA 0.810 5.131 4.320 0.003 0.000 0.305 777 A C -0.224 177.414 177.584 0.091 0.000 1.053 777 A CA -0.756 51.341 52.037 0.099 0.000 0.726 777 A CB 1.348 20.413 19.000 0.108 0.000 1.229 777 A HN 0.943 nan 8.150 nan 0.000 0.431 778 S N 0.073 115.811 115.700 0.063 0.000 2.677 778 S HA 0.816 5.287 4.470 0.003 0.000 0.304 778 S C -0.778 173.804 174.600 -0.031 0.000 1.108 778 S CA -0.778 57.429 58.200 0.012 0.000 0.944 778 S CB 1.836 65.014 63.200 -0.036 0.000 1.127 778 S HN 1.627 nan 8.310 nan 0.000 0.511 779 V N 1.281 121.119 119.914 -0.127 0.000 2.668 779 V HA 0.552 4.674 4.120 0.003 0.000 0.304 779 V C -1.913 174.012 176.094 -0.281 0.000 1.071 779 V CA -0.621 61.477 62.300 -0.337 0.000 0.894 779 V CB 1.703 33.270 31.823 -0.427 0.000 1.008 779 V HN 0.927 nan 8.190 nan 0.000 0.425 780 N N 4.185 122.700 118.700 -0.308 0.000 2.408 780 N HA 0.715 5.457 4.740 0.003 0.000 0.280 780 N C -1.196 174.195 175.510 -0.197 0.000 1.002 780 N CA -0.395 52.539 53.050 -0.193 0.000 0.907 780 N CB 2.222 40.640 38.487 -0.116 0.000 1.161 780 N HN 0.519 nan 8.380 nan 0.000 0.488 781 V N 2.636 122.482 119.914 -0.114 0.000 2.409 781 V HA 0.470 4.592 4.120 0.003 0.000 0.291 781 V C -0.626 175.471 176.094 0.004 0.000 1.020 781 V CA -0.859 61.387 62.300 -0.091 0.000 0.848 781 V CB 1.297 33.057 31.823 -0.105 0.000 0.990 781 V HN 0.663 nan 8.190 nan 0.000 0.430 782 N N 3.397 122.113 118.700 0.026 0.000 2.319 782 N HA 0.361 5.103 4.740 0.003 0.000 0.305 782 N C 0.166 175.739 175.510 0.105 0.000 1.103 782 N CA -0.673 52.440 53.050 0.106 0.000 0.815 782 N CB 1.172 39.745 38.487 0.145 0.000 1.288 782 N HN 0.689 nan 8.380 nan 0.000 0.493 783 N N 0.449 119.242 118.700 0.155 0.000 2.705 783 N HA -0.159 4.583 4.740 0.003 0.000 0.255 783 N C 0.600 176.160 175.510 0.083 0.000 1.008 783 N CA 0.221 53.376 53.050 0.174 0.000 0.742 783 N CB -0.972 37.648 38.487 0.221 0.000 0.906 783 N HN 0.410 nan 8.380 nan 0.000 0.541 784 V N -0.423 119.477 119.914 -0.024 0.000 2.311 784 V HA -0.301 3.821 4.120 0.003 0.000 0.256 784 V C 1.648 177.545 176.094 -0.328 0.000 1.077 784 V CA 2.487 64.628 62.300 -0.265 0.000 1.067 784 V CB -0.593 30.912 31.823 -0.531 0.000 0.659 784 V HN 0.480 nan 8.190 nan 0.000 0.451 785 F N -0.380 119.623 119.950 0.088 0.000 2.660 785 F HA 0.325 4.854 4.527 0.003 0.000 0.297 785 F C 0.969 176.825 175.800 0.093 0.000 1.132 785 F CA -0.143 57.906 58.000 0.081 0.000 1.372 785 F CB -0.624 38.424 39.000 0.080 0.000 1.003 785 F HN 0.117 nan 8.300 nan 0.000 0.524 786 D N 1.688 122.205 120.400 0.196 0.000 2.702 786 D HA -0.285 4.356 4.640 0.003 0.000 0.233 786 D C 0.371 176.779 176.300 0.179 0.000 1.164 786 D CA 0.496 54.591 54.000 0.157 0.000 0.638 786 D CB -0.674 40.193 40.800 0.110 0.000 1.041 786 D HN 0.200 nan 8.370 nan 0.000 0.422 787 K N 0.523 121.073 120.400 0.250 0.000 2.453 787 K HA 0.126 4.448 4.320 0.003 0.000 0.280 787 K C -0.096 176.647 176.600 0.238 0.000 1.045 787 K CA 0.285 56.725 56.287 0.256 0.000 1.059 787 K CB 0.452 33.136 32.500 0.306 0.000 0.901 787 K HN 0.189 nan 8.250 nan 0.000 0.475 788 T N 4.628 119.254 114.554 0.120 0.000 2.743 788 T HA 0.476 4.828 4.350 0.003 0.000 0.293 788 T C -0.829 173.871 174.700 -0.000 0.000 0.945 788 T CA -0.406 61.688 62.100 -0.010 0.000 1.030 788 T CB -0.026 68.771 68.868 -0.118 0.000 0.912 788 T HN 0.539 nan 8.240 nan 0.000 0.483 789 Y N 1.814 121.968 120.300 -0.244 0.000 2.670 789 Y HA 0.692 5.243 4.550 0.002 0.000 0.334 789 Y C -2.155 173.521 175.900 -0.374 0.000 1.185 789 Y CA -2.092 55.767 58.100 -0.401 0.000 1.053 789 Y CB 0.877 38.952 38.460 -0.642 0.000 1.298 789 Y HN 0.522 nan 8.280 nan 0.000 0.459 790 Y N 0.482 120.844 120.300 0.103 0.000 2.342 790 Y HA 0.433 4.984 4.550 0.003 0.000 0.334 790 Y C 1.060 177.142 175.900 0.304 0.000 1.067 790 Y CA -0.185 57.984 58.100 0.116 0.000 1.128 790 Y CB 2.244 40.817 38.460 0.189 0.000 1.200 790 Y HN 0.775 nan 8.280 nan 0.000 0.464 791 T N -2.069 112.682 114.554 0.328 0.000 3.069 791 T HA 0.184 4.536 4.350 0.003 0.000 0.252 791 T C -0.023 174.955 174.700 0.462 0.000 1.053 791 T CA -0.116 62.232 62.100 0.413 0.000 0.964 791 T CB -0.318 68.669 68.868 0.199 0.000 1.005 791 T HN 0.549 nan 8.240 nan 0.000 0.532 792 N N 0.215 119.059 118.700 0.240 0.000 2.600 792 N HA 0.406 5.147 4.740 0.003 0.000 0.272 792 N C -2.114 173.053 175.510 -0.571 0.000 1.095 792 N CA -0.663 52.220 53.050 -0.279 0.000 0.993 792 N CB 1.065 39.429 38.487 -0.206 0.000 1.603 792 N HN 0.224 nan 8.380 nan 0.000 0.526 793 I N 2.507 122.435 120.570 -1.070 0.000 2.499 793 I HA 0.608 4.780 4.170 0.003 0.000 0.288 793 I C 0.827 176.536 176.117 -0.679 0.000 1.048 793 I CA -0.589 60.187 61.300 -0.874 0.000 1.062 793 I CB 2.123 39.612 38.000 -0.851 0.000 1.238 793 I HN 0.905 nan 8.210 nan 0.000 0.426 794 G N 4.704 113.195 108.800 -0.514 0.000 2.130 794 G HA2 -0.284 3.678 3.960 0.003 0.000 0.216 794 G HA3 -0.284 3.678 3.960 0.003 0.000 0.216 794 G C -0.270 174.529 174.900 -0.168 0.000 0.999 794 G CA -0.404 44.511 45.100 -0.309 0.000 0.686 794 G HN 0.536 nan 8.290 nan 0.000 0.515 795 F N 1.486 121.268 119.950 -0.281 0.000 2.350 795 F HA 0.593 5.121 4.527 0.003 0.000 0.365 795 F C 0.893 176.649 175.800 -0.074 0.000 1.122 795 F CA -1.637 56.256 58.000 -0.179 0.000 1.139 795 F CB -0.001 38.949 39.000 -0.082 0.000 1.220 795 F HN 0.296 nan 8.300 nan 0.000 0.499 796 Y N 3.810 123.708 120.300 -0.670 0.000 3.225 796 Y HA -0.309 4.242 4.550 0.003 0.000 0.211 796 Y C 0.992 176.675 175.900 -0.361 0.000 1.223 796 Y CA 0.986 58.755 58.100 -0.551 0.000 1.284 796 Y CB -2.486 35.529 38.460 -0.742 0.000 1.367 796 Y HN 0.807 nan 8.280 nan 0.000 0.566 797 T N -1.054 113.387 114.554 -0.189 0.000 3.967 797 T HA -0.061 4.290 4.350 0.003 0.000 0.366 797 T C 0.060 174.604 174.700 -0.260 0.000 0.759 797 T CA 0.774 62.773 62.100 -0.169 0.000 1.971 797 T CB -1.622 67.216 68.868 -0.050 0.000 1.806 797 T HN 1.160 nan 8.240 nan 0.000 0.825 798 S N -1.367 114.135 115.700 -0.330 0.000 2.685 798 S HA 0.941 5.412 4.470 0.003 0.000 0.282 798 S C -0.724 173.523 174.600 -0.589 0.000 1.159 798 S CA -0.551 57.396 58.200 -0.421 0.000 0.833 798 S CB 2.510 65.546 63.200 -0.273 0.000 1.151 798 S HN 1.408 nan 8.310 nan 0.000 0.485 799 A N 0.464 122.760 122.820 -0.874 0.000 2.435 799 A HA 0.887 5.208 4.320 0.003 0.000 0.304 799 A C -0.592 176.486 177.584 -0.842 0.000 1.064 799 A CA -0.723 50.791 52.037 -0.872 0.000 0.727 799 A CB 1.798 20.258 19.000 -0.899 0.000 1.284 799 A HN 0.840 nan 8.150 nan 0.000 0.415 800 S N 0.158 115.623 115.700 -0.391 0.000 2.538 800 S HA 0.607 5.079 4.470 0.003 0.000 0.288 800 S C -1.427 173.133 174.600 -0.067 0.000 1.108 800 S CA -0.228 57.861 58.200 -0.185 0.000 0.971 800 S CB 0.639 63.792 63.200 -0.077 0.000 1.041 800 S HN 0.472 nan 8.310 nan 0.000 0.483 801 Y N 1.463 121.840 120.300 0.127 0.000 2.304 801 Y HA 0.488 5.040 4.550 0.003 0.000 0.327 801 Y C 1.273 177.045 175.900 -0.213 0.000 1.209 801 Y CA -0.011 58.044 58.100 -0.076 0.000 1.299 801 Y CB 0.510 38.958 38.460 -0.020 0.000 1.249 801 Y HN 0.769 nan 8.280 nan 0.000 0.519 802 G N 1.258 109.782 108.800 -0.459 0.000 2.599 802 G HA2 0.175 4.137 3.960 0.003 0.000 0.264 802 G HA3 0.175 4.137 3.960 0.003 0.000 0.264 802 G C -0.983 173.580 174.900 -0.562 0.000 1.200 802 G CA -0.840 43.878 45.100 -0.636 0.000 0.896 802 G HN 0.591 nan 8.290 nan 0.000 0.536 803 D N 1.319 121.540 120.400 -0.298 0.000 2.425 803 D HA 0.302 4.944 4.640 0.003 0.000 0.247 803 D C -1.868 174.261 176.300 -0.285 0.000 1.147 803 D CA -0.267 53.478 54.000 -0.425 0.000 0.879 803 D CB 0.794 41.649 40.800 0.090 0.000 1.179 803 D HN 0.066 nan 8.370 nan 0.000 0.456 804 P HA 0.049 nan 4.420 nan 0.000 0.274 804 P C -0.104 177.304 177.300 0.181 0.000 1.260 804 P CA -0.627 62.438 63.100 -0.058 0.000 0.793 804 P CB 0.484 32.159 31.700 -0.041 0.000 1.048 805 R N 1.863 122.447 120.500 0.140 0.000 2.523 805 R HA -0.047 4.295 4.340 0.003 0.000 0.281 805 R C -0.386 175.940 176.300 0.043 0.000 0.969 805 R CA 0.789 56.947 56.100 0.096 0.000 1.093 805 R CB -0.820 29.508 30.300 0.047 0.000 0.917 805 R HN 0.691 nan 8.270 nan 0.000 0.408 806 N N 2.407 121.089 118.700 -0.029 0.000 2.416 806 N HA 0.472 5.214 4.740 0.003 0.000 0.276 806 N C -1.837 173.570 175.510 -0.172 0.000 1.261 806 N CA -0.970 51.943 53.050 -0.228 0.000 0.790 806 N CB 1.275 39.626 38.487 -0.227 0.000 1.554 806 N HN 0.256 nan 8.380 nan 0.000 0.481 807 L N 0.147 121.233 121.223 -0.229 0.000 2.354 807 L HA 0.659 5.001 4.340 0.003 0.000 0.269 807 L C -0.850 175.900 176.870 -0.201 0.000 1.005 807 L CA -0.679 54.031 54.840 -0.217 0.000 0.819 807 L CB 1.914 43.860 42.059 -0.189 0.000 1.311 807 L HN 0.787 nan 8.230 nan 0.000 0.423 808 M N 2.613 122.053 119.600 -0.267 0.000 2.190 808 M HA 0.580 5.061 4.480 0.003 0.000 0.312 808 M C -1.689 174.412 176.300 -0.332 0.000 0.990 808 M CA -0.096 55.091 55.300 -0.187 0.000 0.927 808 M CB 1.047 33.590 32.600 -0.094 0.000 1.571 808 M HN 0.224 nan 8.290 nan 0.000 0.427 809 F N 2.200 122.126 119.950 -0.041 0.000 2.394 809 F HA 0.669 5.197 4.527 0.002 0.000 0.340 809 F C 0.510 176.312 175.800 0.003 0.000 1.105 809 F CA -0.096 57.893 58.000 -0.019 0.000 1.124 809 F CB 1.701 40.689 39.000 -0.020 0.000 1.145 809 F HN 0.540 nan 8.300 nan 0.000 0.505 810 S N 1.035 116.823 115.700 0.148 0.000 2.536 810 S HA 0.712 5.184 4.470 0.003 0.000 0.287 810 S C -0.894 173.773 174.600 0.112 0.000 1.101 810 S CA -0.581 57.682 58.200 0.106 0.000 0.950 810 S CB 1.452 64.679 63.200 0.045 0.000 1.056 810 S HN 0.590 nan 8.310 nan 0.000 0.481 811 T N 3.583 118.205 114.554 0.115 0.000 2.848 811 T HA 0.545 4.897 4.350 0.003 0.000 0.285 811 T C -0.736 174.038 174.700 0.124 0.000 0.995 811 T CA -0.719 61.448 62.100 0.112 0.000 0.970 811 T CB 1.347 70.284 68.868 0.114 0.000 0.976 811 T HN 0.477 nan 8.240 nan 0.000 0.441 812 R N 1.890 122.460 120.500 0.116 0.000 2.513 812 R HA 0.403 4.745 4.340 0.003 0.000 0.301 812 R C -1.940 174.481 176.300 0.201 0.000 0.968 812 R CA -0.735 55.442 56.100 0.129 0.000 0.872 812 R CB 1.468 31.788 30.300 0.033 0.000 1.177 812 R HN 0.672 nan 8.270 nan 0.000 0.444 813 W N 5.617 126.920 121.300 0.006 0.000 2.318 813 W HA 0.353 5.014 4.660 0.001 0.000 0.315 813 W C -1.425 175.004 176.519 -0.151 0.000 1.033 813 W CA -1.307 56.030 57.345 -0.013 0.000 1.275 813 W CB 0.853 30.350 29.460 0.061 0.000 1.250 813 W HN 0.564 nan 8.180 nan 0.000 0.421 814 D N 6.038 126.477 120.400 0.065 0.000 2.225 814 D HA 0.362 5.003 4.640 0.003 0.000 0.248 814 D C -0.115 176.059 176.300 -0.209 0.000 1.096 814 D CA 0.059 53.903 54.000 -0.260 0.000 0.863 814 D CB 0.867 41.617 40.800 -0.084 0.000 1.156 814 D HN 0.086 nan 8.370 nan 0.000 0.450 815 F N 0.000 119.886 119.950 -0.107 0.000 2.286 815 F HA 0.000 4.529 4.527 0.003 0.000 0.279 815 F CA 0.000 58.005 58.000 0.009 0.000 1.383 815 F CB 0.000 38.985 39.000 -0.025 0.000 1.145 815 F HN 0.000 nan 8.300 nan 0.000 0.574