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 2w6t_1_A DATA FIRST_RESID 44 DATA SEQUENCE QEVEFDIPPQ ALGSALQEFG RQADIQVLYR PEEVRNKRSS AIKGKLEPNQ DATA SEQUENCE AITELLRGTG ASVDFQGNAI TISVAEAADS SVDLGATMIT SNQLGTITED 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 0.000 176.038 176.000 0.063 0.000 1.003 44 Q CA 0.000 55.834 55.803 0.051 0.000 1.022 44 Q CB 0.000 28.765 28.738 0.045 0.000 1.108 45 E N 0.299 120.539 120.200 0.066 0.000 2.608 45 E HA 0.226 4.562 4.350 -0.023 0.000 0.259 45 E C -1.114 175.510 176.600 0.041 0.000 0.951 45 E CA 0.363 56.810 56.400 0.078 0.000 0.945 45 E CB 0.437 30.178 29.700 0.068 0.000 0.916 45 E HN 0.287 nan 8.360 nan 0.000 0.477 46 V N 3.659 123.590 119.914 0.028 0.000 2.823 46 V HA 0.162 4.268 4.120 -0.023 0.000 0.312 46 V C -0.507 175.450 176.094 -0.229 0.000 1.072 46 V CA -0.892 61.300 62.300 -0.180 0.000 0.937 46 V CB 2.008 33.565 31.823 -0.443 0.000 1.013 46 V HN 0.670 nan 8.190 nan 0.000 0.430 47 E N 2.246 122.284 120.200 -0.271 0.000 2.166 47 E HA 0.394 4.730 4.350 -0.023 0.000 0.279 47 E C -1.459 174.948 176.600 -0.321 0.000 1.095 47 E CA 0.316 56.608 56.400 -0.179 0.000 0.888 47 E CB 0.205 29.849 29.700 -0.092 0.000 1.041 47 E HN 0.375 nan 8.360 nan 0.000 0.414 48 F N 2.566 122.516 119.950 0.001 0.000 2.522 48 F HA 0.406 4.919 4.527 -0.023 0.000 0.324 48 F C -0.147 175.664 175.800 0.020 0.000 1.077 48 F CA -0.846 57.155 58.000 0.001 0.000 0.944 48 F CB 1.935 40.960 39.000 0.042 0.000 1.175 48 F HN 0.292 nan 8.300 nan 0.000 0.468 49 D N 2.958 123.502 120.400 0.240 0.000 2.634 49 D HA 0.303 4.929 4.640 -0.023 0.000 0.236 49 D C -1.455 174.925 176.300 0.133 0.000 1.323 49 D CA 0.058 54.147 54.000 0.149 0.000 0.884 49 D CB 0.210 41.066 40.800 0.092 0.000 1.496 49 D HN 0.365 nan 8.370 nan 0.000 0.525 50 I N 3.745 124.397 120.570 0.137 0.000 2.411 50 I HA 0.417 4.574 4.170 -0.023 0.000 0.284 50 I C -2.151 174.003 176.117 0.062 0.000 1.012 50 I CA -1.816 59.547 61.300 0.105 0.000 1.119 50 I CB 2.019 40.101 38.000 0.136 0.000 1.261 50 I HN 0.064 nan 8.210 nan 0.000 0.448 51 P HA 0.369 nan 4.420 nan 0.000 0.278 51 P C -2.691 174.619 177.300 0.016 0.000 1.266 51 P CA -2.202 60.916 63.100 0.030 0.000 0.807 51 P CB -0.228 31.489 31.700 0.029 0.000 1.094 52 P HA 0.129 nan 4.420 nan 0.000 0.271 52 P C -0.443 176.857 177.300 -0.000 0.000 1.233 52 P CA 0.398 63.496 63.100 -0.003 0.000 0.764 52 P CB 0.147 31.844 31.700 -0.004 0.000 0.825 53 Q N 2.239 122.035 119.800 -0.007 0.000 2.854 53 Q HA 0.736 5.063 4.340 -0.023 0.000 0.331 53 Q C -1.036 174.956 176.000 -0.012 0.000 0.859 53 Q CA -1.414 54.388 55.803 -0.002 0.000 0.787 53 Q CB 0.633 29.375 28.738 0.006 0.000 1.410 53 Q HN 0.251 nan 8.270 nan 0.000 0.510 54 A N 0.851 123.667 122.820 -0.005 0.000 2.565 54 A HA 0.087 4.393 4.320 -0.023 0.000 0.237 54 A C 0.765 178.319 177.584 -0.049 0.000 1.053 54 A CA -0.219 51.810 52.037 -0.013 0.000 0.755 54 A CB -0.030 18.976 19.000 0.010 0.000 0.980 54 A HN 0.682 nan 8.150 nan 0.000 0.506 55 L N 3.915 125.092 121.223 -0.077 0.000 2.042 55 L HA -0.063 4.263 4.340 -0.023 0.000 0.210 55 L C 2.325 179.051 176.870 -0.240 0.000 1.076 55 L CA 2.809 57.562 54.840 -0.146 0.000 0.749 55 L CB -1.298 40.670 42.059 -0.152 0.000 0.893 55 L HN 0.868 nan 8.230 nan 0.000 0.432 56 G N -1.203 107.470 108.800 -0.211 0.000 2.628 56 G HA2 -0.365 3.581 3.960 -0.023 0.000 0.217 56 G HA3 -0.365 3.581 3.960 -0.023 0.000 0.217 56 G C 1.557 176.385 174.900 -0.119 0.000 1.240 56 G CA 1.305 46.270 45.100 -0.225 0.000 0.792 56 G HN 0.501 nan 8.290 nan 0.000 0.593 57 S N 1.262 116.948 115.700 -0.023 0.000 2.380 57 S HA -0.144 4.312 4.470 -0.023 0.000 0.229 57 S C 2.742 177.341 174.600 -0.000 0.000 1.043 57 S CA 1.639 59.844 58.200 0.008 0.000 1.038 57 S CB -0.573 62.636 63.200 0.014 0.000 0.872 57 S HN 0.712 nan 8.310 nan 0.000 0.456 58 A N 1.488 124.285 122.820 -0.037 0.000 1.877 58 A HA 0.009 4.315 4.320 -0.023 0.000 0.216 58 A C 2.164 179.752 177.584 0.007 0.000 1.186 58 A CA 1.200 53.227 52.037 -0.016 0.000 0.620 58 A CB -0.791 18.174 19.000 -0.059 0.000 0.822 58 A HN 0.445 nan 8.150 nan 0.000 0.443 59 L N -1.255 119.908 121.223 -0.101 0.000 2.079 59 L HA -0.260 4.066 4.340 -0.023 0.000 0.210 59 L C 2.902 179.837 176.870 0.108 0.000 1.081 59 L CA 1.826 56.620 54.840 -0.077 0.000 0.752 59 L CB -0.419 41.407 42.059 -0.387 0.000 0.896 59 L HN 0.473 nan 8.230 nan 0.000 0.433 60 Q N 0.015 119.874 119.800 0.097 0.000 2.079 60 Q HA -0.224 4.102 4.340 -0.023 0.000 0.200 60 Q C 2.077 178.161 176.000 0.139 0.000 0.974 60 Q CA 1.494 57.391 55.803 0.155 0.000 0.840 60 Q CB 0.052 28.873 28.738 0.138 0.000 0.898 60 Q HN 0.338 nan 8.270 nan 0.000 0.430 61 E N -1.036 119.236 120.200 0.120 0.000 2.204 61 E HA -0.176 4.160 4.350 -0.023 0.000 0.195 61 E C 1.405 178.101 176.600 0.161 0.000 0.990 61 E CA 0.737 57.204 56.400 0.111 0.000 0.821 61 E CB -0.086 29.672 29.700 0.097 0.000 0.750 61 E HN 0.376 nan 8.360 nan 0.000 0.477 62 F N 0.115 120.099 119.950 0.057 0.000 2.060 62 F HA -0.065 4.448 4.527 -0.023 0.000 0.295 62 F C 2.169 178.038 175.800 0.116 0.000 1.120 62 F CA 1.716 59.778 58.000 0.104 0.000 1.205 62 F CB -0.538 38.491 39.000 0.048 0.000 0.986 62 F HN 0.040 nan 8.300 nan 0.000 0.470 63 G N -0.021 108.904 108.800 0.208 0.000 2.475 63 G HA2 -0.327 3.619 3.960 -0.023 0.000 0.220 63 G HA3 -0.327 3.619 3.960 -0.023 0.000 0.220 63 G C 1.726 176.615 174.900 -0.017 0.000 1.125 63 G CA 0.968 46.125 45.100 0.096 0.000 0.755 63 G HN 0.343 nan 8.290 nan 0.000 0.565 64 R N -0.233 120.265 120.500 -0.002 0.000 2.062 64 R HA 0.007 4.333 4.340 -0.023 0.000 0.231 64 R C 2.661 178.817 176.300 -0.240 0.000 1.136 64 R CA 1.490 57.583 56.100 -0.012 0.000 0.948 64 R CB -0.268 30.057 30.300 0.042 0.000 0.845 64 R HN 0.375 nan 8.270 nan 0.000 0.430 65 Q N -1.130 118.450 119.800 -0.367 0.000 2.364 65 Q HA -0.019 4.307 4.340 -0.023 0.000 0.207 65 Q C 1.202 176.706 176.000 -0.827 0.000 0.970 65 Q CA 1.188 56.545 55.803 -0.744 0.000 0.888 65 Q CB 0.399 28.912 28.738 -0.376 0.000 0.951 65 Q HN 0.409 nan 8.270 nan 0.000 0.469 66 A N -0.065 122.428 122.820 -0.546 0.000 2.431 66 A HA 0.077 4.383 4.320 -0.023 0.000 0.239 66 A C -0.399 177.065 177.584 -0.200 0.000 1.230 66 A CA -0.117 51.649 52.037 -0.450 0.000 0.928 66 A CB 0.576 19.186 19.000 -0.649 0.000 1.006 66 A HN 0.252 nan 8.150 nan 0.000 0.520 67 D N -0.722 119.611 120.400 -0.113 0.000 2.737 67 D HA -0.159 4.467 4.640 -0.023 0.000 0.238 67 D C -0.443 175.871 176.300 0.024 0.000 1.157 67 D CA 1.195 55.205 54.000 0.016 0.000 0.694 67 D CB -1.320 39.511 40.800 0.052 0.000 1.021 67 D HN 0.520 nan 8.370 nan 0.000 0.420 68 I N -0.029 120.557 120.570 0.026 0.000 2.752 68 I HA 0.112 4.268 4.170 -0.023 0.000 0.295 68 I C -0.053 176.127 176.117 0.105 0.000 1.219 68 I CA -0.688 60.658 61.300 0.077 0.000 1.030 68 I CB 2.217 40.281 38.000 0.106 0.000 1.259 68 I HN -0.135 nan 8.210 nan 0.000 0.423 69 Q N 4.582 124.445 119.800 0.106 0.000 2.286 69 Q HA 0.480 4.807 4.340 -0.023 0.000 0.257 69 Q C -1.543 174.533 176.000 0.128 0.000 0.941 69 Q CA -0.430 55.437 55.803 0.107 0.000 0.912 69 Q CB 1.311 30.097 28.738 0.080 0.000 1.192 69 Q HN 0.462 nan 8.270 nan 0.000 0.410 70 V N 6.347 126.354 119.914 0.155 0.000 2.378 70 V HA 0.370 4.477 4.120 -0.023 0.000 0.288 70 V C -0.363 175.834 176.094 0.172 0.000 1.016 70 V CA -0.702 61.708 62.300 0.183 0.000 0.840 70 V CB 1.023 33.001 31.823 0.259 0.000 0.994 70 V HN 0.638 nan 8.190 nan 0.000 0.431 71 L N 6.256 127.544 121.223 0.108 0.000 2.322 71 L HA 0.803 5.130 4.340 -0.023 0.000 0.281 71 L C -0.700 176.221 176.870 0.085 0.000 1.014 71 L CA -0.741 54.117 54.840 0.030 0.000 0.815 71 L CB 1.083 43.129 42.059 -0.022 0.000 1.247 71 L HN 0.776 nan 8.230 nan 0.000 0.421 72 Y N 0.059 120.344 120.300 -0.025 0.000 2.597 72 Y HA 0.652 5.188 4.550 -0.023 0.000 0.340 72 Y C -0.895 174.985 175.900 -0.034 0.000 1.097 72 Y CA -1.522 56.557 58.100 -0.034 0.000 1.037 72 Y CB 1.404 39.844 38.460 -0.033 0.000 1.305 72 Y HN 0.402 nan 8.280 nan 0.000 0.463 73 R N 3.206 123.752 120.500 0.078 0.000 2.202 73 R HA 0.269 4.595 4.340 -0.023 0.000 0.334 73 R C -2.174 174.182 176.300 0.094 0.000 1.036 73 R CA -1.646 54.456 56.100 0.004 0.000 0.878 73 R CB 0.933 31.233 30.300 0.000 0.000 1.067 73 R HN 0.495 nan 8.270 nan 0.000 0.457 74 P HA -0.308 nan 4.420 nan 0.000 0.216 74 P C 1.068 178.421 177.300 0.087 0.000 1.167 74 P CA 1.402 64.558 63.100 0.094 0.000 0.914 74 P CB 0.163 31.870 31.700 0.013 0.000 0.793 75 E N 0.264 120.483 120.200 0.031 0.000 2.472 75 E HA -0.201 4.136 4.350 -0.023 0.000 0.200 75 E C 1.352 177.967 176.600 0.026 0.000 1.046 75 E CA 1.240 57.653 56.400 0.022 0.000 0.871 75 E CB -0.557 29.136 29.700 -0.012 0.000 0.806 75 E HN 0.395 nan 8.360 nan 0.000 0.533 76 E N 0.396 120.621 120.200 0.040 0.000 2.166 76 E HA -0.038 4.298 4.350 -0.023 0.000 0.192 76 E C 2.086 178.704 176.600 0.030 0.000 0.967 76 E CA 0.939 57.357 56.400 0.030 0.000 0.840 76 E CB 0.487 30.203 29.700 0.027 0.000 0.795 76 E HN 0.273 nan 8.360 nan 0.000 0.470 77 V N -0.221 119.727 119.914 0.058 0.000 3.623 77 V HA 0.145 4.251 4.120 -0.023 0.000 0.271 77 V C 0.936 177.040 176.094 0.017 0.000 1.248 77 V CA -0.111 62.194 62.300 0.009 0.000 1.156 77 V CB -0.627 31.158 31.823 -0.063 0.000 0.870 77 V HN -0.004 nan 8.190 nan 0.000 0.453 78 R N 2.109 122.635 120.500 0.044 0.000 2.480 78 R HA 0.086 4.412 4.340 -0.023 0.000 0.303 78 R C 0.621 176.937 176.300 0.025 0.000 0.985 78 R CA 1.194 57.322 56.100 0.046 0.000 1.051 78 R CB -0.790 29.542 30.300 0.054 0.000 0.935 78 R HN 0.721 nan 8.270 nan 0.000 0.410 79 N N 1.957 120.670 118.700 0.022 0.000 2.869 79 N HA -0.192 4.534 4.740 -0.023 0.000 0.249 79 N C -1.221 174.289 175.510 0.000 0.000 1.104 79 N CA 0.696 53.754 53.050 0.014 0.000 0.760 79 N CB -0.321 38.175 38.487 0.016 0.000 1.108 79 N HN 0.586 nan 8.380 nan 0.000 0.555 80 K N 0.946 121.339 120.400 -0.011 0.000 2.267 80 K HA 0.453 4.759 4.320 -0.023 0.000 0.246 80 K C -0.195 176.384 176.600 -0.034 0.000 0.954 80 K CA -0.730 55.541 56.287 -0.026 0.000 0.824 80 K CB 1.412 33.889 32.500 -0.038 0.000 1.167 80 K HN 0.104 nan 8.250 nan 0.000 0.431 81 R N 0.291 120.770 120.500 -0.036 0.000 2.445 81 R HA 0.300 4.627 4.340 -0.023 0.000 0.308 81 R C -0.534 175.734 176.300 -0.053 0.000 0.961 81 R CA -0.728 55.349 56.100 -0.037 0.000 0.862 81 R CB 1.307 31.593 30.300 -0.024 0.000 1.144 81 R HN 0.663 nan 8.270 nan 0.000 0.447 82 S N 1.549 117.212 115.700 -0.062 0.000 2.564 82 S HA 0.128 4.584 4.470 -0.023 0.000 0.278 82 S C 0.501 175.069 174.600 -0.054 0.000 1.333 82 S CA -0.602 57.553 58.200 -0.074 0.000 1.048 82 S CB 1.013 64.168 63.200 -0.075 0.000 0.900 82 S HN 0.758 nan 8.310 nan 0.000 0.505 83 S N 2.094 117.758 115.700 -0.061 0.000 2.652 83 S HA 0.700 5.157 4.470 -0.023 0.000 0.270 83 S C 0.173 174.750 174.600 -0.038 0.000 1.243 83 S CA -0.578 57.596 58.200 -0.043 0.000 0.999 83 S CB 0.694 63.869 63.200 -0.042 0.000 0.973 83 S HN 1.388 nan 8.310 nan 0.000 0.544 84 A N 1.542 124.350 122.820 -0.021 0.000 2.388 84 A HA 0.639 4.945 4.320 -0.023 0.000 0.257 84 A C 0.201 177.782 177.584 -0.006 0.000 1.095 84 A CA -0.843 51.191 52.037 -0.006 0.000 0.791 84 A CB -0.550 18.453 19.000 0.005 0.000 1.029 84 A HN 1.275 nan 8.150 nan 0.000 0.489 85 I N -1.137 119.439 120.570 0.010 0.000 2.647 85 I HA 0.856 5.012 4.170 -0.023 0.000 0.295 85 I C -0.779 175.380 176.117 0.070 0.000 1.078 85 I CA -1.008 60.302 61.300 0.016 0.000 1.048 85 I CB 2.399 40.374 38.000 -0.042 0.000 1.239 85 I HN 0.493 nan 8.210 nan 0.000 0.421 86 K N 4.224 124.674 120.400 0.082 0.000 2.729 86 K HA 0.737 5.044 4.320 -0.023 0.000 0.269 86 K C -0.643 176.020 176.600 0.106 0.000 1.065 86 K CA 0.284 56.630 56.287 0.100 0.000 1.000 86 K CB 1.169 33.709 32.500 0.066 0.000 1.283 86 K HN 1.365 nan 8.250 nan 0.000 0.491 87 G N 2.026 110.914 108.800 0.146 0.000 2.325 87 G HA2 -0.026 3.920 3.960 -0.023 0.000 0.285 87 G HA3 -0.026 3.920 3.960 -0.023 0.000 0.285 87 G C -1.577 173.417 174.900 0.157 0.000 1.303 87 G CA -1.163 44.010 45.100 0.120 0.000 0.970 87 G HN 0.351 nan 8.290 nan 0.000 0.490 88 K N 0.614 121.080 120.400 0.111 0.000 2.294 88 K HA 0.453 4.759 4.320 -0.023 0.000 0.288 88 K C -0.222 176.470 176.600 0.154 0.000 1.072 88 K CA 0.231 56.584 56.287 0.110 0.000 0.960 88 K CB -0.388 32.153 32.500 0.067 0.000 1.043 88 K HN 0.356 nan 8.250 nan 0.000 0.455 89 L N 2.805 124.183 121.223 0.258 0.000 2.370 89 L HA 0.360 4.686 4.340 -0.023 0.000 0.266 89 L C -0.021 177.022 176.870 0.288 0.000 1.002 89 L CA -1.008 53.991 54.840 0.265 0.000 0.818 89 L CB 2.112 44.341 42.059 0.283 0.000 1.325 89 L HN 0.463 nan 8.230 nan 0.000 0.418 90 E N 2.504 122.815 120.200 0.185 0.000 2.316 90 E HA 0.091 4.427 4.350 -0.023 0.000 0.275 90 E C -1.673 175.061 176.600 0.223 0.000 1.029 90 E CA -1.607 54.897 56.400 0.172 0.000 0.871 90 E CB 1.295 31.049 29.700 0.089 0.000 1.022 90 E HN 0.322 nan 8.360 nan 0.000 0.418 91 P HA -0.199 nan 4.420 nan 0.000 0.218 91 P C 0.815 178.334 177.300 0.364 0.000 1.148 91 P CA 1.228 64.573 63.100 0.408 0.000 0.822 91 P CB 0.146 32.075 31.700 0.382 0.000 0.784 92 N N -0.082 118.746 118.700 0.214 0.000 2.188 92 N HA -0.178 4.549 4.740 -0.023 0.000 0.184 92 N C 1.790 177.367 175.510 0.111 0.000 1.018 92 N CA 1.387 54.521 53.050 0.140 0.000 0.858 92 N CB -1.366 36.953 38.487 -0.280 0.000 0.989 92 N HN 0.199 nan 8.380 nan 0.000 0.426 93 Q N -0.263 119.574 119.800 0.062 0.000 2.123 93 Q HA 0.177 4.504 4.340 -0.023 0.000 0.199 93 Q C 2.006 178.002 176.000 -0.007 0.000 0.966 93 Q CA 1.454 57.274 55.803 0.028 0.000 0.845 93 Q CB -0.143 28.612 28.738 0.029 0.000 0.907 93 Q HN 0.567 nan 8.270 nan 0.000 0.439 94 A N 0.338 123.144 122.820 -0.024 0.000 1.930 94 A HA -0.155 4.152 4.320 -0.023 0.000 0.217 94 A C 1.920 179.359 177.584 -0.241 0.000 1.175 94 A CA 1.038 52.954 52.037 -0.201 0.000 0.627 94 A CB -0.426 18.212 19.000 -0.603 0.000 0.815 94 A HN 0.447 nan 8.150 nan 0.000 0.443 95 I N 0.554 121.001 120.570 -0.206 0.000 2.439 95 I HA -0.155 4.001 4.170 -0.023 0.000 0.251 95 I C 2.565 178.515 176.117 -0.280 0.000 1.139 95 I CA 2.269 63.255 61.300 -0.522 0.000 1.438 95 I CB -0.412 37.217 38.000 -0.618 0.000 1.085 95 I HN 0.482 nan 8.210 nan 0.000 0.427 96 T N -2.339 112.154 114.554 -0.103 0.000 2.737 96 T HA -0.191 4.146 4.350 -0.023 0.000 0.265 96 T C 1.864 176.511 174.700 -0.088 0.000 1.038 96 T CA 1.460 63.523 62.100 -0.062 0.000 1.144 96 T CB -0.690 68.183 68.868 0.008 0.000 0.866 96 T HN 0.414 nan 8.240 nan 0.000 0.434 97 E N 0.883 121.030 120.200 -0.088 0.000 2.048 97 E HA -0.143 4.193 4.350 -0.023 0.000 0.202 97 E C 2.112 178.647 176.600 -0.108 0.000 1.021 97 E CA 1.528 57.878 56.400 -0.083 0.000 0.825 97 E CB -0.480 29.174 29.700 -0.075 0.000 0.756 97 E HN 0.484 nan 8.360 nan 0.000 0.454 98 L N 0.424 121.549 121.223 -0.163 0.000 2.051 98 L HA -0.245 4.081 4.340 -0.023 0.000 0.214 98 L C 2.038 178.810 176.870 -0.164 0.000 1.076 98 L CA 1.389 56.121 54.840 -0.181 0.000 0.758 98 L CB -0.078 41.801 42.059 -0.300 0.000 0.890 98 L HN 0.219 nan 8.230 nan 0.000 0.433 99 L N -0.848 120.270 121.223 -0.175 0.000 2.554 99 L HA 0.006 4.332 4.340 -0.023 0.000 0.226 99 L C 1.276 178.089 176.870 -0.096 0.000 1.137 99 L CA -0.246 54.508 54.840 -0.143 0.000 0.863 99 L CB -0.382 41.584 42.059 -0.156 0.000 0.985 99 L HN 0.154 nan 8.230 nan 0.000 0.451 100 R N 0.597 121.049 120.500 -0.081 0.000 2.523 100 R HA 0.026 4.352 4.340 -0.023 0.000 0.281 100 R C 1.267 177.537 176.300 -0.050 0.000 0.969 100 R CA 1.134 57.201 56.100 -0.055 0.000 1.093 100 R CB 0.137 30.408 30.300 -0.047 0.000 0.917 100 R HN 0.358 nan 8.270 nan 0.000 0.408 101 G N 1.752 110.528 108.800 -0.040 0.000 2.284 101 G HA2 -0.394 3.552 3.960 -0.023 0.000 0.247 101 G HA3 -0.394 3.552 3.960 -0.023 0.000 0.247 101 G C 0.823 175.700 174.900 -0.038 0.000 1.012 101 G CA 0.784 45.863 45.100 -0.035 0.000 0.618 101 G HN 0.713 nan 8.290 nan 0.000 0.521 102 T N -1.074 113.450 114.554 -0.050 0.000 3.088 102 T HA 0.402 4.739 4.350 -0.023 0.000 0.259 102 T C 2.397 177.070 174.700 -0.045 0.000 1.122 102 T CA 1.589 63.657 62.100 -0.053 0.000 1.095 102 T CB -0.083 68.740 68.868 -0.075 0.000 0.930 102 T HN 2.296 nan 8.240 nan 0.000 0.508 103 G N 1.170 109.945 108.800 -0.040 0.000 2.225 103 G HA2 0.019 3.965 3.960 -0.023 0.000 0.267 103 G HA3 0.019 3.965 3.960 -0.023 0.000 0.267 103 G C 0.137 175.015 174.900 -0.038 0.000 1.024 103 G CA 0.048 45.129 45.100 -0.033 0.000 0.784 103 G HN 1.239 nan 8.290 nan 0.000 0.507 104 A N -0.742 122.047 122.820 -0.051 0.000 2.337 104 A HA 0.918 5.225 4.320 -0.023 0.000 0.331 104 A C 0.295 177.841 177.584 -0.063 0.000 1.137 104 A CA 0.255 52.256 52.037 -0.060 0.000 0.807 104 A CB 1.600 20.551 19.000 -0.082 0.000 1.250 104 A HN 0.884 nan 8.150 nan 0.000 0.468 105 S N -0.324 115.338 115.700 -0.063 0.000 2.537 105 S HA 0.634 5.090 4.470 -0.023 0.000 0.301 105 S C -0.526 174.008 174.600 -0.111 0.000 1.092 105 S CA -0.473 57.689 58.200 -0.064 0.000 1.048 105 S CB 1.581 64.757 63.200 -0.040 0.000 1.053 105 S HN 0.632 nan 8.310 nan 0.000 0.501 106 V N 2.287 122.115 119.914 -0.144 0.000 2.513 106 V HA 0.426 4.532 4.120 -0.023 0.000 0.299 106 V C -0.547 175.368 176.094 -0.299 0.000 1.035 106 V CA -0.811 61.298 62.300 -0.319 0.000 0.889 106 V CB 1.808 33.282 31.823 -0.582 0.000 0.988 106 V HN 0.776 nan 8.190 nan 0.000 0.440 107 D N 3.354 123.572 120.400 -0.304 0.000 2.427 107 D HA 0.371 4.997 4.640 -0.023 0.000 0.226 107 D C -0.749 175.398 176.300 -0.254 0.000 1.076 107 D CA -0.408 53.491 54.000 -0.169 0.000 0.849 107 D CB 0.639 41.393 40.800 -0.077 0.000 1.052 107 D HN 0.268 nan 8.370 nan 0.000 0.515 108 F N 2.597 122.564 119.950 0.029 0.000 2.472 108 F HA 0.176 4.689 4.527 -0.023 0.000 0.364 108 F C 1.180 177.003 175.800 0.039 0.000 1.090 108 F CA -0.073 57.953 58.000 0.042 0.000 1.188 108 F CB 0.842 39.868 39.000 0.043 0.000 1.105 108 F HN 0.276 nan 8.300 nan 0.000 0.536 109 Q N 2.995 122.884 119.800 0.149 0.000 2.928 109 Q HA 0.507 4.833 4.340 -0.023 0.000 0.353 109 Q C 0.460 176.527 176.000 0.111 0.000 0.870 109 Q CA -0.296 55.573 55.803 0.110 0.000 0.963 109 Q CB 1.054 29.828 28.738 0.060 0.000 1.419 109 Q HN 0.878 nan 8.270 nan 0.000 0.396 110 G N 3.117 111.999 108.800 0.137 0.000 2.543 110 G HA2 -0.375 3.571 3.960 -0.023 0.000 0.286 110 G HA3 -0.375 3.571 3.960 -0.023 0.000 0.286 110 G C 0.356 175.328 174.900 0.119 0.000 1.153 110 G CA 0.291 45.457 45.100 0.111 0.000 0.968 110 G HN 0.515 nan 8.290 nan 0.000 0.544 111 N N 2.791 121.549 118.700 0.096 0.000 2.434 111 N HA 0.453 5.179 4.740 -0.023 0.000 0.196 111 N C 0.504 176.074 175.510 0.100 0.000 1.183 111 N CA 1.216 54.324 53.050 0.097 0.000 0.849 111 N CB 0.264 38.799 38.487 0.079 0.000 0.992 111 N HN 1.119 nan 8.380 nan 0.000 0.460 112 A N 0.725 123.605 122.820 0.099 0.000 2.414 112 A HA 0.709 5.015 4.320 -0.023 0.000 0.306 112 A C -0.438 177.189 177.584 0.072 0.000 1.054 112 A CA -0.852 51.236 52.037 0.085 0.000 0.724 112 A CB 1.267 20.303 19.000 0.060 0.000 1.267 112 A HN 0.213 nan 8.150 nan 0.000 0.418 113 I N 0.072 120.670 120.570 0.047 0.000 2.389 113 I HA 0.691 4.847 4.170 -0.023 0.000 0.288 113 I C -0.124 175.960 176.117 -0.055 0.000 0.999 113 I CA -0.360 60.897 61.300 -0.071 0.000 1.129 113 I CB 1.837 39.740 38.000 -0.163 0.000 1.288 113 I HN 0.536 nan 8.210 nan 0.000 0.444 114 T N 6.066 120.571 114.554 -0.081 0.000 2.837 114 T HA 0.609 4.945 4.350 -0.023 0.000 0.285 114 T C -0.502 174.143 174.700 -0.092 0.000 0.984 114 T CA -0.293 61.773 62.100 -0.056 0.000 1.049 114 T CB 0.839 69.687 68.868 -0.033 0.000 0.947 114 T HN 0.486 nan 8.240 nan 0.000 0.472 115 I N 4.564 125.108 120.570 -0.044 0.000 2.385 115 I HA 0.531 4.688 4.170 -0.023 0.000 0.294 115 I C 0.376 176.478 176.117 -0.025 0.000 0.988 115 I CA 0.272 61.537 61.300 -0.057 0.000 1.265 115 I CB 1.915 39.894 38.000 -0.035 0.000 1.388 115 I HN 0.911 nan 8.210 nan 0.000 0.480 116 S N 4.591 120.266 115.700 -0.042 0.000 2.588 116 S HA 0.781 5.237 4.470 -0.023 0.000 0.275 116 S C -1.165 173.417 174.600 -0.029 0.000 1.130 116 S CA -0.728 57.456 58.200 -0.026 0.000 0.855 116 S CB 1.953 65.136 63.200 -0.029 0.000 1.116 116 S HN 0.196 nan 8.310 nan 0.000 0.472 117 V N 1.946 121.848 119.914 -0.020 0.000 2.315 117 V HA 0.648 4.755 4.120 -0.023 0.000 0.265 117 V C 0.685 176.768 176.094 -0.017 0.000 1.019 117 V CA -0.369 61.919 62.300 -0.021 0.000 0.824 117 V CB 0.251 32.063 31.823 -0.017 0.000 1.072 117 V HN 1.214 nan 8.190 nan 0.000 0.448 118 A N 3.704 126.513 122.820 -0.018 0.000 2.567 118 A HA 0.393 4.700 4.320 -0.023 0.000 0.240 118 A C 0.398 177.974 177.584 -0.013 0.000 1.053 118 A CA 0.283 52.311 52.037 -0.015 0.000 0.755 118 A CB 0.156 19.148 19.000 -0.013 0.000 0.978 118 A HN 0.646 nan 8.150 nan 0.000 0.507 119 E N 1.235 121.428 120.200 -0.011 0.000 2.212 119 E HA 0.499 4.835 4.350 -0.023 0.000 0.270 119 E C 1.012 177.607 176.600 -0.008 0.000 0.956 119 E CA 0.007 56.401 56.400 -0.009 0.000 0.825 119 E CB 1.647 31.342 29.700 -0.009 0.000 1.167 119 E HN 0.617 nan 8.360 nan 0.000 0.400 120 A N 1.824 124.640 122.820 -0.007 0.000 1.969 120 A HA -0.091 4.215 4.320 -0.023 0.000 0.218 120 A C 1.961 179.542 177.584 -0.005 0.000 1.169 120 A CA 1.932 53.965 52.037 -0.005 0.000 0.635 120 A CB -0.460 18.537 19.000 -0.005 0.000 0.810 120 A HN 0.625 nan 8.150 nan 0.000 0.445 121 A N -0.114 122.703 122.820 -0.006 0.000 1.845 121 A HA -0.051 4.255 4.320 -0.023 0.000 0.215 121 A C 0.704 178.285 177.584 -0.006 0.000 1.195 121 A CA 0.943 52.976 52.037 -0.006 0.000 0.616 121 A CB -0.725 18.271 19.000 -0.006 0.000 0.832 121 A HN 0.432 nan 8.150 nan 0.000 0.443 122 D N 0.002 120.397 120.400 -0.008 0.000 8.243 122 D HA -0.111 4.515 4.640 -0.023 0.000 0.131 122 D C 0.788 177.083 176.300 -0.008 0.000 1.185 122 D CA 1.127 55.121 54.000 -0.009 0.000 0.889 122 D CB -0.066 40.728 40.800 -0.010 0.000 1.714 122 D HN 0.389 nan 8.370 nan 0.000 0.978 123 S N 0.241 115.936 115.700 -0.008 0.000 2.523 123 S HA 0.235 4.691 4.470 -0.023 0.000 0.217 123 S C 0.334 174.930 174.600 -0.007 0.000 0.996 123 S CA 0.760 58.956 58.200 -0.007 0.000 0.921 123 S CB 0.292 63.489 63.200 -0.005 0.000 0.829 123 S HN 0.638 nan 8.310 nan 0.000 0.495 124 S N -0.706 114.988 115.700 -0.010 0.000 2.688 124 S HA 0.442 4.898 4.470 -0.023 0.000 0.266 124 S C -1.765 172.825 174.600 -0.017 0.000 1.061 124 S CA -0.307 57.885 58.200 -0.013 0.000 0.844 124 S CB 0.899 64.093 63.200 -0.010 0.000 1.103 124 S HN 0.651 nan 8.310 nan 0.000 0.471 125 V N 1.665 121.566 119.914 -0.023 0.000 2.409 125 V HA 0.562 4.668 4.120 -0.023 0.000 0.291 125 V C -1.096 174.979 176.094 -0.032 0.000 1.020 125 V CA -0.389 61.894 62.300 -0.027 0.000 0.848 125 V CB 1.353 33.159 31.823 -0.030 0.000 0.990 125 V HN 0.954 nan 8.190 nan 0.000 0.430 126 D N 5.679 126.062 120.400 -0.030 0.000 2.453 126 D HA 0.234 4.861 4.640 -0.023 0.000 0.223 126 D C 1.059 177.338 176.300 -0.034 0.000 1.183 126 D CA 0.107 54.089 54.000 -0.030 0.000 0.933 126 D CB 1.114 41.897 40.800 -0.029 0.000 1.038 126 D HN 0.610 nan 8.370 nan 0.000 0.513 127 L N 1.864 123.064 121.223 -0.038 0.000 2.072 127 L HA 0.028 4.354 4.340 -0.023 0.000 0.205 127 L C 1.979 178.830 176.870 -0.031 0.000 1.079 127 L CA 0.881 55.697 54.840 -0.039 0.000 0.752 127 L CB 0.009 42.039 42.059 -0.048 0.000 0.906 127 L HN 0.378 nan 8.230 nan 0.000 0.436 128 G N 0.119 108.906 108.800 -0.021 0.000 3.709 128 G HA2 0.423 4.369 3.960 -0.023 0.000 0.272 128 G HA3 0.423 4.369 3.960 -0.023 0.000 0.272 128 G C 0.329 175.212 174.900 -0.029 0.000 1.259 128 G CA -0.031 45.060 45.100 -0.013 0.000 1.512 128 G HN 0.270 nan 8.290 nan 0.000 0.625 129 A N 0.629 123.425 122.820 -0.041 0.000 2.462 129 A HA 0.503 4.810 4.320 -0.023 0.000 0.243 129 A C 1.014 178.551 177.584 -0.078 0.000 1.076 129 A CA -0.022 51.981 52.037 -0.057 0.000 0.773 129 A CB 0.150 19.117 19.000 -0.055 0.000 1.010 129 A HN 0.291 nan 8.150 nan 0.000 0.493 130 T N 3.947 118.438 114.554 -0.105 0.000 2.866 130 T HA 0.281 4.617 4.350 -0.023 0.000 0.293 130 T C 0.050 174.665 174.700 -0.140 0.000 1.005 130 T CA 0.986 63.005 62.100 -0.136 0.000 1.162 130 T CB -0.402 68.359 68.868 -0.177 0.000 0.968 130 T HN 0.513 nan 8.240 nan 0.000 0.530 131 M N 4.267 123.773 119.600 -0.157 0.000 2.224 131 M HA 0.346 4.812 4.480 -0.023 0.000 0.281 131 M C -1.049 175.093 176.300 -0.263 0.000 1.025 131 M CA -0.910 54.272 55.300 -0.196 0.000 0.954 131 M CB 2.018 34.536 32.600 -0.137 0.000 1.639 131 M HN 0.293 nan 8.290 nan 0.000 0.461 132 I N 1.846 122.151 120.570 -0.441 0.000 2.581 132 I HA 0.366 4.522 4.170 -0.023 0.000 0.288 132 I C 0.805 176.651 176.117 -0.452 0.000 1.047 132 I CA 0.242 61.250 61.300 -0.487 0.000 1.374 132 I CB 1.321 38.921 38.000 -0.666 0.000 1.423 132 I HN 0.609 nan 8.210 nan 0.000 0.549 133 T N 3.054 117.475 114.554 -0.222 0.000 2.932 133 T HA 0.323 4.659 4.350 -0.023 0.000 0.289 133 T C 0.866 175.579 174.700 0.021 0.000 1.039 133 T CA -0.294 61.756 62.100 -0.083 0.000 1.024 133 T CB 1.505 70.348 68.868 -0.042 0.000 1.090 133 T HN 0.750 nan 8.240 nan 0.000 0.496 134 S N 1.612 117.366 115.700 0.089 0.000 2.497 134 S HA 0.155 4.612 4.470 -0.023 0.000 0.218 134 S C 0.611 175.277 174.600 0.109 0.000 1.023 134 S CA -0.103 58.175 58.200 0.131 0.000 0.913 134 S CB 0.046 63.350 63.200 0.174 0.000 0.800 134 S HN 0.525 nan 8.310 nan 0.000 0.505 135 N N 1.742 120.498 118.700 0.093 0.000 2.511 135 N HA 0.248 4.974 4.740 -0.023 0.000 0.249 135 N C 0.596 176.158 175.510 0.087 0.000 0.971 135 N CA -0.269 52.836 53.050 0.092 0.000 0.938 135 N CB 1.228 39.766 38.487 0.085 0.000 1.131 135 N HN 0.168 nan 8.380 nan 0.000 0.505 136 Q N 2.580 122.447 119.800 0.112 0.000 2.197 136 Q HA -0.134 4.192 4.340 -0.023 0.000 0.207 136 Q C 1.329 177.390 176.000 0.102 0.000 0.984 136 Q CA 1.314 57.199 55.803 0.137 0.000 0.869 136 Q CB 0.185 29.058 28.738 0.226 0.000 0.906 136 Q HN 0.690 nan 8.270 nan 0.000 0.426 137 L N -1.222 120.054 121.223 0.089 0.000 2.341 137 L HA 0.090 4.416 4.340 -0.023 0.000 0.214 137 L C 1.204 178.094 176.870 0.032 0.000 1.115 137 L CA 0.594 55.468 54.840 0.057 0.000 0.820 137 L CB 0.060 42.159 42.059 0.065 0.000 0.944 137 L HN 0.300 nan 8.230 nan 0.000 0.452 138 G N -0.949 107.875 108.800 0.040 0.000 2.293 138 G HA2 -0.122 3.824 3.960 -0.023 0.000 0.282 138 G HA3 -0.122 3.824 3.960 -0.023 0.000 0.282 138 G C -0.735 174.191 174.900 0.043 0.000 1.299 138 G CA -0.613 44.505 45.100 0.030 0.000 1.018 138 G HN -0.168 nan 8.290 nan 0.000 0.478 139 T N 1.517 116.094 114.554 0.039 0.000 2.761 139 T HA 0.522 4.858 4.350 -0.023 0.000 0.296 139 T C 1.088 175.820 174.700 0.053 0.000 0.934 139 T CA -0.046 62.084 62.100 0.049 0.000 1.091 139 T CB 0.573 69.469 68.868 0.047 0.000 0.896 139 T HN 0.551 nan 8.240 nan 0.000 0.515 140 I N 3.362 123.969 120.570 0.061 0.000 2.815 140 I HA -0.031 4.125 4.170 -0.023 0.000 0.291 140 I C 2.021 178.175 176.117 0.062 0.000 1.209 140 I CA 0.128 61.466 61.300 0.064 0.000 1.431 140 I CB 0.655 38.696 38.000 0.068 0.000 1.351 140 I HN 0.805 nan 8.210 nan 0.000 0.585 141 T N 0.636 115.228 114.554 0.063 0.000 3.037 141 T HA 0.016 4.353 4.350 -0.023 0.000 0.251 141 T C 0.695 175.436 174.700 0.068 0.000 1.079 141 T CA -0.346 61.794 62.100 0.067 0.000 1.067 141 T CB -0.061 68.847 68.868 0.067 0.000 0.948 141 T HN 0.673 nan 8.240 nan 0.000 0.496 142 E N 2.072 122.311 120.200 0.064 0.000 2.417 142 E HA 0.010 4.347 4.350 -0.023 0.000 0.261 142 E C -0.401 176.229 176.600 0.051 0.000 1.000 142 E CA 0.308 56.742 56.400 0.057 0.000 0.919 142 E CB -0.057 29.679 29.700 0.059 0.000 0.955 142 E HN 0.309 nan 8.360 nan 0.000 0.455 143 D N 2.155 122.580 120.400 0.042 0.000 3.079 143 D HA -0.230 4.396 4.640 -0.023 0.000 0.214 143 D C 0.788 177.113 176.300 0.042 0.000 1.145 143 D CA 1.339 55.360 54.000 0.035 0.000 0.958 143 D CB -1.851 38.967 40.800 0.031 0.000 1.117 143 D HN 0.483 nan 8.370 nan 0.000 0.416 144 S N -0.622 115.110 115.700 0.053 0.000 2.562 144 S HA 0.284 4.740 4.470 -0.023 0.000 0.221 144 S C 1.922 176.548 174.600 0.044 0.000 0.975 144 S CA 1.157 59.390 58.200 0.055 0.000 0.918 144 S CB 0.227 63.466 63.200 0.066 0.000 0.772 144 S HN 1.088 nan 8.310 nan 0.000 0.531 145 G N 0.486 109.311 108.800 0.042 0.000 2.200 145 G HA2 -0.282 3.664 3.960 -0.023 0.000 0.267 145 G HA3 -0.282 3.664 3.960 -0.023 0.000 0.267 145 G C 0.098 174.995 174.900 -0.005 0.000 0.993 145 G CA 0.690 45.801 45.100 0.019 0.000 0.701 145 G HN 0.952 nan 8.290 nan 0.000 0.524 146 S N -1.936 113.794 115.700 0.050 0.000 2.600 146 S HA 0.737 5.193 4.470 -0.023 0.000 0.300 146 S C 0.406 175.148 174.600 0.237 0.000 1.087 146 S CA -0.699 57.525 58.200 0.039 0.000 0.965 146 S CB 0.986 64.216 63.200 0.049 0.000 1.089 146 S HN 0.237 nan 8.310 nan 0.000 0.496 147 Y N 1.028 121.364 120.300 0.060 0.000 2.467 147 Y HA 0.362 4.898 4.550 -0.023 0.000 0.250 147 Y C 1.234 177.158 175.900 0.041 0.000 1.155 147 Y CA -0.342 57.795 58.100 0.062 0.000 1.249 147 Y CB -0.033 38.477 38.460 0.083 0.000 1.146 147 Y HN 0.467 nan 8.280 nan 0.000 0.524 148 T N 3.016 117.679 114.554 0.182 0.000 2.888 148 T HA 0.480 4.816 4.350 -0.023 0.000 0.284 148 T C -2.545 172.205 174.700 0.083 0.000 1.017 148 T CA -1.941 60.225 62.100 0.110 0.000 1.022 148 T CB 1.822 70.742 68.868 0.085 0.000 1.013 148 T HN -0.137 nan 8.240 nan 0.000 0.465 149 P HA 0.450 nan 4.420 nan 0.000 0.287 149 P C 0.313 177.635 177.300 0.037 0.000 1.296 149 P CA -0.382 62.745 63.100 0.043 0.000 0.811 149 P CB 1.154 32.867 31.700 0.022 0.000 1.211 150 G N -0.276 108.544 108.800 0.033 0.000 2.571 150 G HA2 0.297 4.244 3.960 -0.023 0.000 0.225 150 G HA3 0.297 4.244 3.960 -0.023 0.000 0.225 150 G C -0.005 174.904 174.900 0.015 0.000 1.731 150 G CA 0.451 45.568 45.100 0.029 0.000 0.858 150 G HN 0.716 nan 8.290 nan 0.000 0.611 151 T N -1.816 112.746 114.554 0.013 0.000 2.940 151 T HA 0.750 5.086 4.350 -0.023 0.000 0.288 151 T C -1.058 173.641 174.700 -0.003 0.000 1.045 151 T CA -0.668 61.433 62.100 0.002 0.000 1.018 151 T CB 2.580 71.450 68.868 0.005 0.000 1.151 151 T HN 0.169 nan 8.240 nan 0.000 0.529 152 I N -0.004 120.557 120.570 -0.016 0.000 2.752 152 I HA 0.500 4.656 4.170 -0.023 0.000 0.290 152 I C -0.352 175.737 176.117 -0.045 0.000 1.507 152 I CA -0.992 60.289 61.300 -0.032 0.000 1.038 152 I CB 1.743 39.717 38.000 -0.044 0.000 1.390 152 I HN 1.026 nan 8.210 nan 0.000 0.435 153 A N 3.287 126.072 122.820 -0.058 0.000 2.701 153 A HA 0.377 4.683 4.320 -0.023 0.000 0.297 153 A C 1.090 178.599 177.584 -0.125 0.000 1.197 153 A CA 0.028 52.014 52.037 -0.085 0.000 0.963 153 A CB -0.353 18.599 19.000 -0.080 0.000 1.175 153 A HN 0.709 nan 8.150 nan 0.000 0.531 154 T N -0.151 114.330 114.554 -0.122 0.000 2.857 154 T HA -0.010 4.326 4.350 -0.023 0.000 0.266 154 T C 2.222 176.814 174.700 -0.180 0.000 1.048 154 T CA 1.619 63.631 62.100 -0.147 0.000 1.139 154 T CB -0.028 68.757 68.868 -0.137 0.000 0.874 154 T HN 0.582 nan 8.240 nan 0.000 0.455 155 A N 1.681 124.395 122.820 -0.176 0.000 1.855 155 A HA 0.030 4.336 4.320 -0.023 0.000 0.213 155 A C 2.331 179.739 177.584 -0.294 0.000 1.195 155 A CA 1.714 53.628 52.037 -0.205 0.000 0.610 155 A CB -0.524 18.370 19.000 -0.176 0.000 0.837 155 A HN 0.555 nan 8.150 nan 0.000 0.444 156 T N -6.482 107.912 114.554 -0.267 0.000 3.209 156 T HA 0.404 4.740 4.350 -0.023 0.000 0.295 156 T C 0.578 175.130 174.700 -0.247 0.000 0.977 156 T CA 0.566 62.472 62.100 -0.323 0.000 0.922 156 T CB 0.479 69.185 68.868 -0.269 0.000 1.152 156 T HN 0.352 nan 8.240 nan 0.000 0.527 157 R N -0.231 120.124 120.500 -0.243 0.000 3.977 157 R HA -0.114 4.212 4.340 -0.023 0.000 0.428 157 R C -0.617 175.586 176.300 -0.162 0.000 1.079 157 R CA 0.843 56.788 56.100 -0.259 0.000 1.269 157 R CB -2.473 27.591 30.300 -0.393 0.000 1.856 157 R HN 0.655 nan 8.270 nan 0.000 0.551 158 L N 0.912 122.077 121.223 -0.097 0.000 2.331 158 L HA 0.282 4.608 4.340 -0.023 0.000 0.278 158 L C 0.519 177.367 176.870 -0.038 0.000 1.106 158 L CA -0.842 53.968 54.840 -0.049 0.000 0.824 158 L CB 1.331 43.388 42.059 -0.004 0.000 1.142 158 L HN -0.187 nan 8.230 nan 0.000 0.443 159 V N 6.027 125.922 119.914 -0.033 0.000 2.400 159 V HA 0.075 4.181 4.120 -0.023 0.000 0.263 159 V C 0.395 176.477 176.094 -0.020 0.000 1.026 159 V CA 0.449 62.734 62.300 -0.024 0.000 1.077 159 V CB -0.529 31.285 31.823 -0.016 0.000 1.054 159 V HN 0.481 nan 8.190 nan 0.000 0.477 160 L N 3.963 125.180 121.223 -0.010 0.000 2.257 160 L HA 0.716 5.042 4.340 -0.023 0.000 0.257 160 L C 0.525 177.389 176.870 -0.009 0.000 1.033 160 L CA -0.748 54.094 54.840 0.003 0.000 0.835 160 L CB 2.450 44.538 42.059 0.048 0.000 1.398 160 L HN 0.568 nan 8.230 nan 0.000 0.429 161 T N -3.650 110.900 114.554 -0.007 0.000 2.918 161 T HA 0.348 4.684 4.350 -0.023 0.000 0.283 161 T C -2.150 172.533 174.700 -0.028 0.000 1.001 161 T CA -1.853 60.239 62.100 -0.014 0.000 1.041 161 T CB 1.500 70.361 68.868 -0.012 0.000 1.028 161 T HN 0.278 nan 8.240 nan 0.000 0.511 162 P HA -0.197 nan 4.420 nan 0.000 0.217 162 P C 1.657 178.915 177.300 -0.071 0.000 1.158 162 P CA 1.224 64.291 63.100 -0.054 0.000 0.887 162 P CB 0.020 31.704 31.700 -0.026 0.000 0.792 163 R N 0.432 120.907 120.500 -0.041 0.000 2.105 163 R HA -0.162 4.164 4.340 -0.023 0.000 0.239 163 R C 1.627 177.908 176.300 -0.032 0.000 1.135 163 R CA 1.641 57.719 56.100 -0.035 0.000 0.967 163 R CB -0.356 29.928 30.300 -0.028 0.000 0.861 163 R HN 0.269 nan 8.270 nan 0.000 0.442 164 E N -0.405 119.789 120.200 -0.009 0.000 2.502 164 E HA 0.013 4.350 4.350 -0.023 0.000 0.194 164 E C -0.375 176.255 176.600 0.050 0.000 1.062 164 E CA 0.274 56.705 56.400 0.051 0.000 0.867 164 E CB 0.564 30.310 29.700 0.077 0.000 0.888 164 E HN 0.119 nan 8.360 nan 0.000 0.510 165 T N 3.415 117.914 114.554 -0.092 0.000 2.733 165 T HA 0.178 4.515 4.350 -0.023 0.000 0.294 165 T C -2.349 172.131 174.700 -0.366 0.000 0.956 165 T CA -1.660 60.324 62.100 -0.194 0.000 0.987 165 T CB 1.349 70.111 68.868 -0.176 0.000 0.920 165 T HN -0.062 nan 8.240 nan 0.000 0.470 166 P HA 0.261 nan 4.420 nan 0.000 0.220 166 P C -0.545 176.583 177.300 -0.286 0.000 1.778 166 P CA -0.158 62.715 63.100 -0.377 0.000 0.912 166 P CB 0.048 31.643 31.700 -0.174 0.000 1.861 167 Q N -0.961 118.607 119.800 -0.388 0.000 2.522 167 Q HA 0.334 4.660 4.340 -0.023 0.000 0.285 167 Q C -0.745 175.151 176.000 -0.174 0.000 0.982 167 Q CA -0.717 54.986 55.803 -0.166 0.000 0.805 167 Q CB 1.701 30.355 28.738 -0.141 0.000 1.457 167 Q HN -0.141 nan 8.270 nan 0.000 0.394 168 S N 1.401 117.066 115.700 -0.059 0.000 2.465 168 S HA 0.319 4.775 4.470 -0.023 0.000 0.280 168 S C -0.598 173.943 174.600 -0.097 0.000 1.232 168 S CA -0.053 58.118 58.200 -0.047 0.000 1.066 168 S CB -0.163 63.011 63.200 -0.043 0.000 0.929 168 S HN 0.367 nan 8.310 nan 0.000 0.494 169 I N 4.244 124.758 120.570 -0.093 0.000 2.439 169 I HA 0.322 4.478 4.170 -0.023 0.000 0.283 169 I C -0.391 175.686 176.117 -0.068 0.000 1.023 169 I CA 0.160 61.402 61.300 -0.097 0.000 1.100 169 I CB 1.474 39.407 38.000 -0.111 0.000 1.238 169 I HN 0.399 nan 8.210 nan 0.000 0.445 170 T N 6.384 120.894 114.554 -0.072 0.000 2.837 170 T HA 0.626 4.963 4.350 -0.023 0.000 0.285 170 T C -0.532 174.130 174.700 -0.063 0.000 0.984 170 T CA -0.368 61.700 62.100 -0.054 0.000 1.049 170 T CB 1.394 70.227 68.868 -0.058 0.000 0.947 170 T HN 0.306 nan 8.240 nan 0.000 0.472 171 V N 3.569 123.459 119.914 -0.040 0.000 2.555 171 V HA 0.441 4.547 4.120 -0.023 0.000 0.302 171 V C -0.234 175.836 176.094 -0.040 0.000 1.038 171 V CA -0.826 61.447 62.300 -0.045 0.000 0.887 171 V CB 2.138 33.944 31.823 -0.028 0.000 0.991 171 V HN 0.669 nan 8.190 nan 0.000 0.434 172 V N 4.028 123.903 119.914 -0.064 0.000 2.333 172 V HA 0.387 4.493 4.120 -0.023 0.000 0.274 172 V C 0.615 176.684 176.094 -0.043 0.000 1.028 172 V CA -0.313 61.943 62.300 -0.074 0.000 0.851 172 V CB 1.503 33.260 31.823 -0.111 0.000 1.000 172 V HN 1.069 nan 8.190 nan 0.000 0.456 173 T N 2.138 116.686 114.554 -0.010 0.000 2.918 173 T HA 0.366 4.702 4.350 -0.023 0.000 0.283 173 T C 1.089 175.812 174.700 0.038 0.000 1.001 173 T CA -0.576 61.547 62.100 0.039 0.000 1.041 173 T CB 1.503 70.435 68.868 0.106 0.000 1.028 173 T HN 0.429 nan 8.240 nan 0.000 0.511 174 R N 0.711 121.245 120.500 0.057 0.000 2.133 174 R HA -0.166 4.160 4.340 -0.023 0.000 0.247 174 R C 2.350 178.690 176.300 0.068 0.000 1.151 174 R CA 2.007 58.141 56.100 0.057 0.000 0.971 174 R CB -1.047 29.291 30.300 0.063 0.000 0.866 174 R HN 0.773 nan 8.270 nan 0.000 0.447 175 Q N 0.056 119.930 119.800 0.123 0.000 2.167 175 Q HA -0.063 4.263 4.340 -0.023 0.000 0.202 175 Q C 1.647 177.769 176.000 0.204 0.000 0.970 175 Q CA 1.631 57.547 55.803 0.188 0.000 0.855 175 Q CB -0.466 28.433 28.738 0.269 0.000 0.911 175 Q HN 0.353 nan 8.270 nan 0.000 0.438 176 N N -0.493 118.240 118.700 0.054 0.000 2.104 176 N HA -0.137 4.589 4.740 -0.023 0.000 0.190 176 N C 1.505 176.985 175.510 -0.050 0.000 1.024 176 N CA 1.565 54.465 53.050 -0.250 0.000 0.853 176 N CB -0.072 38.182 38.487 -0.387 0.000 1.008 176 N HN 0.369 nan 8.380 nan 0.000 0.424 177 M N -0.056 119.522 119.600 -0.036 0.000 2.200 177 M HA -0.099 4.367 4.480 -0.023 0.000 0.265 177 M C 1.276 177.569 176.300 -0.013 0.000 1.066 177 M CA 1.073 56.348 55.300 -0.041 0.000 1.127 177 M CB -0.140 32.443 32.600 -0.028 0.000 1.379 177 M HN -0.056 nan 8.290 nan 0.000 0.420 178 D N 0.859 121.263 120.400 0.005 0.000 2.078 178 D HA -0.158 4.468 4.640 -0.023 0.000 0.193 178 D C 1.646 177.930 176.300 -0.028 0.000 0.990 178 D CA 1.308 55.302 54.000 -0.011 0.000 0.827 178 D CB -0.363 40.432 40.800 -0.008 0.000 0.975 178 D HN 0.246 nan 8.370 nan 0.000 0.451 179 D N -0.486 119.907 120.400 -0.011 0.000 2.097 179 D HA -0.119 4.507 4.640 -0.023 0.000 0.195 179 D C 1.486 177.583 176.300 -0.339 0.000 0.989 179 D CA 0.779 54.691 54.000 -0.145 0.000 0.827 179 D CB -0.295 40.450 40.800 -0.091 0.000 0.966 179 D HN 0.273 nan 8.370 nan 0.000 0.456 180 F N -0.347 119.564 119.950 -0.064 0.000 2.732 180 F HA 0.288 4.801 4.527 -0.023 0.000 0.303 180 F C 1.787 177.501 175.800 -0.144 0.000 1.110 180 F CA 0.171 58.116 58.000 -0.092 0.000 1.355 180 F CB 0.363 39.278 39.000 -0.142 0.000 1.081 180 F HN -0.006 nan 8.300 nan 0.000 0.565 181 G N 0.918 109.710 108.800 -0.013 0.000 2.155 181 G HA2 -0.327 3.620 3.960 -0.023 0.000 0.257 181 G HA3 -0.327 3.620 3.960 -0.023 0.000 0.257 181 G C 0.319 175.182 174.900 -0.061 0.000 0.983 181 G CA -0.122 44.957 45.100 -0.035 0.000 0.676 181 G HN 0.329 nan 8.290 nan 0.000 0.528 182 L N 0.284 121.436 121.223 -0.118 0.000 2.774 182 L HA 0.157 4.483 4.340 -0.023 0.000 0.284 182 L C 1.369 178.201 176.870 -0.063 0.000 1.149 182 L CA 0.261 55.008 54.840 -0.155 0.000 1.069 182 L CB -0.401 41.511 42.059 -0.246 0.000 1.407 182 L HN 0.249 nan 8.230 nan 0.000 0.460 183 N N 1.660 120.344 118.700 -0.026 0.000 2.336 183 N HA -0.009 4.717 4.740 -0.023 0.000 0.189 183 N C 0.001 175.531 175.510 0.034 0.000 1.113 183 N CA -0.142 52.916 53.050 0.014 0.000 0.858 183 N CB 0.282 38.785 38.487 0.027 0.000 0.970 183 N HN 0.700 nan 8.380 nan 0.000 0.471 184 N N -0.889 117.822 118.700 0.020 0.000 3.039 184 N HA 0.085 4.811 4.740 -0.023 0.000 0.257 184 N C 0.118 175.635 175.510 0.012 0.000 1.497 184 N CA -0.740 52.333 53.050 0.040 0.000 0.861 184 N CB 0.480 39.002 38.487 0.057 0.000 1.479 184 N HN -0.223 nan 8.380 nan 0.000 0.547 185 I N 0.154 120.741 120.570 0.028 0.000 2.493 185 I HA -0.109 4.048 4.170 -0.023 0.000 0.254 185 I C 0.855 176.960 176.117 -0.019 0.000 1.160 185 I CA 1.456 62.749 61.300 -0.010 0.000 1.445 185 I CB -0.304 37.709 38.000 0.022 0.000 1.086 185 I HN 0.478 nan 8.210 nan 0.000 0.433 186 D N 0.786 121.233 120.400 0.079 0.000 2.117 186 D HA -0.177 4.449 4.640 -0.023 0.000 0.197 186 D C 1.710 178.025 176.300 0.025 0.000 0.987 186 D CA 1.387 55.457 54.000 0.117 0.000 0.829 186 D CB -0.265 40.633 40.800 0.163 0.000 0.961 186 D HN 0.398 nan 8.370 nan 0.000 0.460 187 D N 0.366 120.762 120.400 -0.006 0.000 2.097 187 D HA -0.110 4.516 4.640 -0.023 0.000 0.195 187 D C 2.388 178.592 176.300 -0.160 0.000 0.989 187 D CA 0.482 54.438 54.000 -0.074 0.000 0.827 187 D CB -0.491 40.251 40.800 -0.097 0.000 0.966 187 D HN 0.069 nan 8.370 nan 0.000 0.456 188 V N 1.558 121.377 119.914 -0.159 0.000 2.252 188 V HA -0.292 3.814 4.120 -0.023 0.000 0.249 188 V C 2.580 178.568 176.094 -0.176 0.000 1.056 188 V CA 1.450 63.642 62.300 -0.181 0.000 1.022 188 V CB -0.429 31.295 31.823 -0.164 0.000 0.641 188 V HN 0.195 nan 8.190 nan 0.000 0.445 189 M N -0.389 119.064 119.600 -0.245 0.000 2.073 189 M HA -0.213 4.254 4.480 -0.023 0.000 0.258 189 M C 2.325 178.547 176.300 -0.130 0.000 1.070 189 M CA 1.873 56.984 55.300 -0.315 0.000 1.103 189 M CB -1.382 30.787 32.600 -0.719 0.000 1.321 189 M HN 0.302 nan 8.290 nan 0.000 0.405 190 R N -0.920 119.566 120.500 -0.025 0.000 2.117 190 R HA -0.190 4.137 4.340 -0.023 0.000 0.243 190 R C 1.544 177.913 176.300 0.115 0.000 1.143 190 R CA 1.320 57.471 56.100 0.086 0.000 0.968 190 R CB -0.543 29.858 30.300 0.169 0.000 0.863 190 R HN 0.490 nan 8.270 nan 0.000 0.444 191 H N -0.859 118.114 119.070 -0.162 0.000 2.524 191 H HA 0.148 4.691 4.556 -0.023 0.000 0.280 191 H C -0.296 174.930 175.328 -0.170 0.000 1.018 191 H CA 0.195 56.087 56.048 -0.260 0.000 1.165 191 H CB 0.394 29.811 29.762 -0.575 0.000 1.411 191 H HN -0.049 nan 8.280 nan 0.000 0.569 192 T N 3.926 118.456 114.554 -0.041 0.000 2.744 192 T HA 0.187 4.523 4.350 -0.023 0.000 0.291 192 T C -2.501 172.166 174.700 -0.055 0.000 0.957 192 T CA -1.672 60.384 62.100 -0.073 0.000 1.002 192 T CB 1.494 70.286 68.868 -0.127 0.000 0.919 192 T HN 0.057 nan 8.240 nan 0.000 0.468 193 P HA 0.179 nan 4.420 nan 0.000 0.261 193 P C 1.012 178.279 177.300 -0.055 0.000 1.183 193 P CA 0.668 63.749 63.100 -0.031 0.000 0.761 193 P CB 0.342 32.042 31.700 -0.000 0.000 0.785 194 G N 2.781 111.538 108.800 -0.071 0.000 2.201 194 G HA2 -0.158 3.788 3.960 -0.023 0.000 0.212 194 G HA3 -0.158 3.788 3.960 -0.023 0.000 0.212 194 G C -0.097 174.750 174.900 -0.090 0.000 0.994 194 G CA -0.490 44.560 45.100 -0.083 0.000 0.644 194 G HN 0.468 nan 8.290 nan 0.000 0.508 195 I N 2.085 122.605 120.570 -0.083 0.000 2.404 195 I HA 0.515 4.671 4.170 -0.023 0.000 0.293 195 I C -0.110 175.989 176.117 -0.031 0.000 0.992 195 I CA -0.288 60.978 61.300 -0.057 0.000 1.149 195 I CB 1.503 39.444 38.000 -0.098 0.000 1.315 195 I HN 0.016 nan 8.210 nan 0.000 0.446 196 T N 5.334 119.915 114.554 0.045 0.000 2.786 196 T HA 0.486 4.823 4.350 -0.023 0.000 0.283 196 T C -0.083 174.716 174.700 0.165 0.000 0.992 196 T CA -0.508 61.636 62.100 0.073 0.000 0.954 196 T CB 1.826 70.729 68.868 0.059 0.000 0.934 196 T HN 0.213 nan 8.240 nan 0.000 0.440 197 V N 4.097 124.101 119.914 0.149 0.000 2.364 197 V HA 0.578 4.685 4.120 -0.023 0.000 0.272 197 V C 0.486 176.665 176.094 0.143 0.000 1.036 197 V CA -0.640 61.780 62.300 0.199 0.000 0.880 197 V CB 0.700 32.660 31.823 0.228 0.000 0.991 197 V HN 1.064 nan 8.190 nan 0.000 0.460 198 S N 3.992 119.715 115.700 0.039 0.000 2.638 198 S HA 0.921 5.377 4.470 -0.023 0.000 0.302 198 S C -0.274 174.235 174.600 -0.152 0.000 1.096 198 S CA -0.496 57.761 58.200 0.096 0.000 0.953 198 S CB 2.144 65.528 63.200 0.306 0.000 1.107 198 S HN 1.128 nan 8.310 nan 0.000 0.503 199 A N 0.805 123.563 122.820 -0.102 0.000 2.310 199 A HA 0.683 4.989 4.320 -0.023 0.000 0.299 199 A C -0.333 177.011 177.584 -0.400 0.000 1.147 199 A CA -0.630 51.288 52.037 -0.198 0.000 0.818 199 A CB -0.008 18.974 19.000 -0.029 0.000 1.096 199 A HN 0.871 nan 8.150 nan 0.000 0.495 200 Y N 0.888 121.012 120.300 -0.294 0.000 2.301 200 Y HA 0.177 4.713 4.550 -0.023 0.000 0.295 200 Y C 0.607 176.487 175.900 -0.034 0.000 1.126 200 Y CA 1.044 58.849 58.100 -0.492 0.000 1.154 200 Y CB 0.202 38.351 38.460 -0.517 0.000 1.075 200 Y HN 0.867 nan 8.280 nan 0.000 0.534 201 D N -4.567 115.948 120.400 0.191 0.000 2.865 201 D HA 0.079 4.706 4.640 -0.023 0.000 0.343 201 D C 0.546 176.904 176.300 0.097 0.000 1.372 201 D CA 0.088 54.213 54.000 0.209 0.000 0.862 201 D CB 0.165 41.166 40.800 0.335 0.000 1.425 201 D HN -0.091 nan 8.370 nan 0.000 0.501 202 T N -3.344 111.253 114.554 0.070 0.000 2.996 202 T HA -0.040 4.297 4.350 -0.023 0.000 0.271 202 T C 0.110 174.786 174.700 -0.041 0.000 1.126 202 T CA 1.241 63.273 62.100 -0.114 0.000 1.103 202 T CB -0.386 68.284 68.868 -0.330 0.000 0.870 202 T HN 0.473 nan 8.240 nan 0.000 0.528 203 D N 0.117 120.523 120.400 0.010 0.000 2.594 203 D HA 0.198 4.824 4.640 -0.023 0.000 0.256 203 D C -0.034 176.025 176.300 -0.401 0.000 1.393 203 D CA -0.299 53.611 54.000 -0.150 0.000 0.797 203 D CB 0.870 41.583 40.800 -0.146 0.000 1.110 203 D HN 0.190 nan 8.370 nan 0.000 0.495 204 R N 1.021 121.397 120.500 -0.206 0.000 2.542 204 R HA 0.316 4.642 4.340 -0.023 0.000 0.284 204 R C -1.069 175.181 176.300 -0.083 0.000 1.167 204 R CA -0.303 55.688 56.100 -0.181 0.000 1.000 204 R CB 1.682 31.896 30.300 -0.143 0.000 1.229 204 R HN 0.025 nan 8.270 nan 0.000 0.416 205 N N 0.762 119.348 118.700 -0.191 0.000 2.530 205 N HA 0.381 5.107 4.740 -0.023 0.000 0.283 205 N C -0.825 174.331 175.510 -0.590 0.000 1.238 205 N CA -0.738 52.117 53.050 -0.324 0.000 0.971 205 N CB 0.926 39.314 38.487 -0.165 0.000 1.195 205 N HN 0.373 nan 8.380 nan 0.000 0.583 206 N N -0.571 117.706 118.700 -0.706 0.000 2.225 206 N HA 0.350 5.077 4.740 -0.023 0.000 0.298 206 N C -2.102 173.040 175.510 -0.613 0.000 1.076 206 N CA -0.463 52.119 53.050 -0.780 0.000 0.792 206 N CB 0.846 38.746 38.487 -0.979 0.000 1.498 206 N HN 0.348 nan 8.380 nan 0.000 0.474 207 Y N 1.974 122.097 120.300 -0.296 0.000 2.350 207 Y HA 0.429 4.965 4.550 -0.023 0.000 0.338 207 Y C -0.927 174.847 175.900 -0.209 0.000 0.961 207 Y CA -0.763 57.211 58.100 -0.210 0.000 1.100 207 Y CB 0.734 39.117 38.460 -0.129 0.000 1.179 207 Y HN 0.388 nan 8.280 nan 0.000 0.454 208 Y N 1.224 121.561 120.300 0.062 0.000 2.420 208 Y HA 0.797 5.334 4.550 -0.022 0.000 0.334 208 Y C 0.074 175.950 175.900 -0.039 0.000 1.094 208 Y CA -1.195 56.902 58.100 -0.005 0.000 1.126 208 Y CB 1.821 40.247 38.460 -0.058 0.000 1.217 208 Y HN 0.664 nan 8.280 nan 0.000 0.462 209 A N 2.144 125.053 122.820 0.148 0.000 2.449 209 A HA 0.687 4.993 4.320 -0.023 0.000 0.302 209 A C 0.007 177.607 177.584 0.027 0.000 1.048 209 A CA -1.113 50.935 52.037 0.019 0.000 0.708 209 A CB 0.914 19.887 19.000 -0.045 0.000 1.274 209 A HN 0.939 nan 8.150 nan 0.000 0.410 210 R N 0.916 121.382 120.500 -0.057 0.000 3.847 210 R HA -0.270 4.056 4.340 -0.023 0.000 0.304 210 R C 1.044 177.320 176.300 -0.039 0.000 1.203 210 R CA 1.392 57.478 56.100 -0.024 0.000 0.835 210 R CB -1.972 28.279 30.300 -0.081 0.000 1.253 210 R HN 2.444 nan 8.270 nan 0.000 0.516 211 G N -1.578 107.072 108.800 -0.250 0.000 2.192 211 G HA2 -0.219 3.727 3.960 -0.023 0.000 0.193 211 G HA3 -0.219 3.727 3.960 -0.023 0.000 0.193 211 G C -0.174 174.200 174.900 -0.876 0.000 0.999 211 G CA -0.151 44.553 45.100 -0.660 0.000 0.659 211 G HN 0.185 nan 8.290 nan 0.000 0.503 212 F N 1.687 121.675 119.950 0.064 0.000 2.556 212 F HA 0.678 5.191 4.527 -0.023 0.000 0.314 212 F C 0.609 176.524 175.800 0.191 0.000 1.106 212 F CA -0.868 57.199 58.000 0.111 0.000 0.911 212 F CB 2.146 41.150 39.000 0.008 0.000 1.190 212 F HN -0.004 nan 8.300 nan 0.000 0.448 213 S N 3.084 118.971 115.700 0.312 0.000 2.549 213 S HA 0.364 4.820 4.470 -0.023 0.000 0.283 213 S C -0.014 174.622 174.600 0.060 0.000 1.320 213 S CA -0.385 57.854 58.200 0.066 0.000 1.058 213 S CB 0.151 63.344 63.200 -0.013 0.000 0.882 213 S HN 0.358 nan 8.310 nan 0.000 0.498 214 I N 2.985 123.549 120.570 -0.010 0.000 2.441 214 I HA 0.190 4.346 4.170 -0.023 0.000 0.287 214 I C 0.742 176.790 176.117 -0.115 0.000 1.049 214 I CA 0.147 61.395 61.300 -0.087 0.000 1.381 214 I CB 0.534 38.455 38.000 -0.133 0.000 1.409 214 I HN 0.684 nan 8.210 nan 0.000 0.523 215 N N 4.020 122.637 118.700 -0.138 0.000 2.475 215 N HA 0.190 4.916 4.740 -0.023 0.000 0.272 215 N C -1.169 174.289 175.510 -0.086 0.000 1.482 215 N CA -0.272 52.752 53.050 -0.044 0.000 0.863 215 N CB 0.383 38.870 38.487 0.001 0.000 1.400 215 N HN 0.477 nan 8.380 nan 0.000 0.489 216 N N 0.799 119.326 118.700 -0.289 0.000 2.442 216 N HA 0.347 5.073 4.740 -0.023 0.000 0.274 216 N C -1.479 173.789 175.510 -0.403 0.000 1.002 216 N CA -0.049 52.858 53.050 -0.239 0.000 0.910 216 N CB 1.043 39.385 38.487 -0.242 0.000 1.244 216 N HN 0.014 nan 8.380 nan 0.000 0.492 217 F N 0.633 120.512 119.950 -0.119 0.000 2.551 217 F HA 0.444 4.958 4.527 -0.021 0.000 0.316 217 F C 0.346 175.995 175.800 -0.251 0.000 1.089 217 F CA -0.606 57.269 58.000 -0.208 0.000 0.915 217 F CB 2.087 41.011 39.000 -0.128 0.000 1.186 217 F HN 0.089 nan 8.300 nan 0.000 0.456 218 Q N 1.736 121.373 119.800 -0.271 0.000 2.423 218 Q HA 0.523 4.849 4.340 -0.023 0.000 0.278 218 Q C -1.900 173.743 176.000 -0.595 0.000 1.097 218 Q CA -1.126 54.523 55.803 -0.257 0.000 0.809 218 Q CB 3.231 31.871 28.738 -0.163 0.000 1.391 218 Q HN 0.539 nan 8.270 nan 0.000 0.428 219 Y N 0.285 120.580 120.300 -0.008 0.000 2.376 219 Y HA 0.176 4.713 4.550 -0.022 0.000 0.340 219 Y C -0.190 175.688 175.900 -0.037 0.000 0.965 219 Y CA -0.972 57.119 58.100 -0.016 0.000 1.078 219 Y CB 1.412 39.879 38.460 0.012 0.000 1.193 219 Y HN 0.629 nan 8.280 nan 0.000 0.452 220 D N 2.790 123.234 120.400 0.074 0.000 2.739 220 D HA -0.215 4.412 4.640 -0.023 0.000 0.230 220 D C 1.332 177.643 176.300 0.018 0.000 1.167 220 D CA 2.115 56.130 54.000 0.025 0.000 0.640 220 D CB -0.921 39.865 40.800 -0.024 0.000 1.045 220 D HN 1.125 nan 8.370 nan 0.000 0.421 221 G N -1.349 107.443 108.800 -0.013 0.000 2.157 221 G HA2 -0.281 3.665 3.960 -0.023 0.000 0.248 221 G HA3 -0.281 3.665 3.960 -0.023 0.000 0.248 221 G C 0.129 175.027 174.900 -0.003 0.000 0.979 221 G CA 0.124 45.205 45.100 -0.031 0.000 0.650 221 G HN 0.415 nan 8.290 nan 0.000 0.529 222 I N 2.349 122.945 120.570 0.043 0.000 2.330 222 I HA 0.360 4.516 4.170 -0.023 0.000 0.289 222 I C -1.867 174.305 176.117 0.091 0.000 1.001 222 I CA -3.632 57.713 61.300 0.077 0.000 1.193 222 I CB 0.948 39.014 38.000 0.111 0.000 1.345 222 I HN -0.110 nan 8.210 nan 0.000 0.461 223 P HA 0.085 nan 4.420 nan 0.000 0.268 223 P C -0.194 177.173 177.300 0.112 0.000 1.205 223 P CA -0.017 63.112 63.100 0.048 0.000 0.771 223 P CB 0.612 32.308 31.700 -0.006 0.000 0.858 224 S N 1.129 116.923 115.700 0.158 0.000 2.687 224 S HA 0.422 4.878 4.470 -0.023 0.000 0.283 224 S C 0.003 174.648 174.600 0.076 0.000 1.170 224 S CA -0.603 57.690 58.200 0.155 0.000 1.008 224 S CB 0.183 63.531 63.200 0.247 0.000 1.026 224 S HN 0.359 nan 8.310 nan 0.000 0.541 225 T N 1.599 116.175 114.554 0.036 0.000 2.794 225 T HA 0.566 4.902 4.350 -0.023 0.000 0.296 225 T C 0.518 175.179 174.700 -0.064 0.000 0.949 225 T CA -0.207 61.848 62.100 -0.075 0.000 1.101 225 T CB 0.952 69.696 68.868 -0.208 0.000 0.905 225 T HN 0.908 nan 8.240 nan 0.000 0.516 226 A N 3.786 126.565 122.820 -0.067 0.000 2.643 226 A HA 0.300 4.606 4.320 -0.023 0.000 0.295 226 A C 1.807 179.365 177.584 -0.042 0.000 1.065 226 A CA -0.448 51.585 52.037 -0.008 0.000 0.986 226 A CB -0.059 19.011 19.000 0.115 0.000 1.212 226 A HN 0.842 nan 8.150 nan 0.000 0.516 227 R N 0.804 121.203 120.500 -0.168 0.000 2.190 227 R HA -0.265 4.061 4.340 -0.023 0.000 0.255 227 R C 0.749 177.077 176.300 0.046 0.000 1.143 227 R CA 2.353 58.403 56.100 -0.084 0.000 0.965 227 R CB -0.233 29.965 30.300 -0.170 0.000 0.889 227 R HN 0.868 nan 8.270 nan 0.000 0.448 228 N N -3.539 115.218 118.700 0.094 0.000 3.316 228 N HA 0.028 4.754 4.740 -0.023 0.000 0.300 228 N C 0.409 175.892 175.510 -0.044 0.000 1.567 228 N CA -0.125 52.965 53.050 0.066 0.000 0.821 228 N CB 0.623 39.184 38.487 0.124 0.000 1.748 228 N HN -0.166 nan 8.380 nan 0.000 0.603 229 V N -3.494 116.339 119.914 -0.134 0.000 3.380 229 V HA 0.327 4.433 4.120 -0.023 0.000 0.268 229 V C 1.644 177.526 176.094 -0.354 0.000 1.168 229 V CA 1.574 63.769 62.300 -0.176 0.000 1.156 229 V CB -1.115 30.639 31.823 -0.114 0.000 0.785 229 V HN 0.749 nan 8.190 nan 0.000 0.487 230 G N -0.471 107.939 108.800 -0.650 0.000 2.394 230 G HA2 -0.172 3.774 3.960 -0.023 0.000 0.214 230 G HA3 -0.172 3.774 3.960 -0.023 0.000 0.214 230 G C 1.336 175.757 174.900 -0.799 0.000 1.176 230 G CA 0.898 45.364 45.100 -1.056 0.000 0.786 230 G HN 0.569 nan 8.290 nan 0.000 0.533 231 Y N 0.435 120.331 120.300 -0.673 0.000 2.421 231 Y HA 0.059 4.597 4.550 -0.021 0.000 0.292 231 Y C 2.913 178.692 175.900 -0.201 0.000 1.136 231 Y CA 1.180 59.082 58.100 -0.330 0.000 1.255 231 Y CB 0.299 38.626 38.460 -0.223 0.000 0.991 231 Y HN 0.290 nan 8.280 nan 0.000 0.552 232 S N -0.451 115.208 115.700 -0.068 0.000 2.539 232 S HA 0.367 4.823 4.470 -0.023 0.000 0.221 232 S C 0.729 175.245 174.600 -0.140 0.000 0.987 232 S CA -0.118 58.031 58.200 -0.084 0.000 0.929 232 S CB -0.438 62.726 63.200 -0.060 0.000 0.832 232 S HN 0.271 nan 8.310 nan 0.000 0.492 233 A N 0.709 123.458 122.820 -0.119 0.000 2.600 233 A HA 0.349 4.656 4.320 -0.023 0.000 0.253 233 A C 1.613 179.101 177.584 -0.160 0.000 0.997 233 A CA 0.972 52.951 52.037 -0.096 0.000 0.820 233 A CB -1.139 17.866 19.000 0.008 0.000 0.888 233 A HN 1.413 nan 8.150 nan 0.000 0.508 234 G N 2.586 111.267 108.800 -0.197 0.000 2.234 234 G HA2 -0.334 3.612 3.960 -0.023 0.000 0.260 234 G HA3 -0.334 3.612 3.960 -0.023 0.000 0.260 234 G C 0.871 175.645 174.900 -0.209 0.000 0.987 234 G CA 0.862 45.851 45.100 -0.186 0.000 0.625 234 G HN 0.784 nan 8.290 nan 0.000 0.532 235 N N 0.263 118.781 118.700 -0.303 0.000 2.120 235 N HA -0.054 4.672 4.740 -0.023 0.000 0.188 235 N C 2.189 177.464 175.510 -0.392 0.000 1.024 235 N CA 1.917 54.650 53.050 -0.530 0.000 0.852 235 N CB -0.634 37.251 38.487 -1.003 0.000 1.003 235 N HN 0.502 nan 8.380 nan 0.000 0.424 236 T N -0.326 114.098 114.554 -0.217 0.000 3.025 236 T HA 0.022 4.359 4.350 -0.023 0.000 0.270 236 T C 1.111 175.819 174.700 0.013 0.000 1.126 236 T CA 0.637 62.719 62.100 -0.029 0.000 1.105 236 T CB -0.089 68.685 68.868 -0.156 0.000 0.884 236 T HN 0.131 nan 8.240 nan 0.000 0.522 237 L N 0.886 122.079 121.223 -0.049 0.000 2.959 237 L HA 0.359 4.685 4.340 -0.023 0.000 0.259 237 L C 0.477 177.363 176.870 0.027 0.000 1.185 237 L CA -0.398 54.436 54.840 -0.010 0.000 0.998 237 L CB 0.566 42.596 42.059 -0.047 0.000 1.337 237 L HN 0.007 nan 8.230 nan 0.000 0.555 238 S N 1.019 116.747 115.700 0.046 0.000 2.515 238 S HA -0.033 4.423 4.470 -0.023 0.000 0.285 238 S C 0.133 174.822 174.600 0.147 0.000 1.265 238 S CA -0.005 58.264 58.200 0.115 0.000 1.079 238 S CB 0.401 63.697 63.200 0.160 0.000 0.877 238 S HN 0.186 nan 8.310 nan 0.000 0.493 239 D N 2.285 122.777 120.400 0.154 0.000 2.389 239 D HA 0.041 4.667 4.640 -0.023 0.000 0.247 239 D C 0.753 177.179 176.300 0.211 0.000 1.128 239 D CA -0.292 53.789 54.000 0.134 0.000 0.884 239 D CB 0.580 41.430 40.800 0.084 0.000 1.194 239 D HN 0.331 nan 8.370 nan 0.000 0.441 240 M N 2.924 122.627 119.600 0.172 0.000 2.619 240 M HA -0.025 4.441 4.480 -0.023 0.000 0.251 240 M C 1.828 178.207 176.300 0.132 0.000 1.106 240 M CA 0.269 55.708 55.300 0.232 0.000 1.086 240 M CB -0.955 31.721 32.600 0.126 0.000 1.465 240 M HN 0.480 nan 8.290 nan 0.000 0.506 241 A N 1.019 123.872 122.820 0.054 0.000 2.131 241 A HA -0.122 4.184 4.320 -0.023 0.000 0.220 241 A C 1.898 179.450 177.584 -0.054 0.000 1.158 241 A CA 1.298 53.350 52.037 0.024 0.000 0.665 241 A CB -0.840 18.178 19.000 0.030 0.000 0.795 241 A HN 0.671 nan 8.150 nan 0.000 0.460 242 I N -5.819 114.596 120.570 -0.258 0.000 4.082 242 I HA 0.360 4.516 4.170 -0.023 0.000 0.337 242 I C -0.368 175.349 176.117 -0.666 0.000 1.352 242 I CA -0.698 60.296 61.300 -0.511 0.000 1.097 242 I CB 0.210 37.695 38.000 -0.858 0.000 1.048 242 I HN 0.067 nan 8.210 nan 0.000 0.393 243 Y N 1.108 121.381 120.300 -0.044 0.000 2.420 243 Y HA 0.356 4.892 4.550 -0.024 0.000 0.334 243 Y C 0.997 176.901 175.900 0.006 0.000 1.094 243 Y CA -0.770 57.314 58.100 -0.026 0.000 1.126 243 Y CB 1.356 39.803 38.460 -0.023 0.000 1.217 243 Y HN -0.080 nan 8.280 nan 0.000 0.462 244 D N 0.931 121.435 120.400 0.175 0.000 2.137 244 D HA 0.006 4.632 4.640 -0.023 0.000 0.202 244 D C 0.198 176.557 176.300 0.098 0.000 0.970 244 D CA 1.013 55.084 54.000 0.118 0.000 0.837 244 D CB 0.446 41.306 40.800 0.100 0.000 0.981 244 D HN 0.658 nan 8.370 nan 0.000 0.475 245 R N -1.462 119.091 120.500 0.089 0.000 2.747 245 R HA 0.533 4.859 4.340 -0.023 0.000 0.272 245 R C -1.762 174.519 176.300 -0.033 0.000 1.032 245 R CA -1.065 55.051 56.100 0.027 0.000 0.896 245 R CB 1.443 31.753 30.300 0.015 0.000 1.253 245 R HN -0.079 nan 8.270 nan 0.000 0.461 246 V N 0.261 120.126 119.914 -0.082 0.000 2.540 246 V HA 0.511 4.617 4.120 -0.023 0.000 0.302 246 V C -0.916 175.097 176.094 -0.134 0.000 1.035 246 V CA -0.414 61.796 62.300 -0.150 0.000 0.873 246 V CB 1.710 33.409 31.823 -0.206 0.000 0.992 246 V HN 0.901 nan 8.190 nan 0.000 0.428 247 E N 5.341 125.452 120.200 -0.148 0.000 2.165 247 E HA 0.592 4.928 4.350 -0.023 0.000 0.266 247 E C -1.160 175.341 176.600 -0.164 0.000 0.889 247 E CA -0.831 55.490 56.400 -0.132 0.000 0.756 247 E CB 2.266 31.903 29.700 -0.104 0.000 1.131 247 E HN 0.803 nan 8.360 nan 0.000 0.411 248 V N 4.761 124.581 119.914 -0.156 0.000 2.334 248 V HA 0.413 4.520 4.120 -0.023 0.000 0.281 248 V C -1.203 174.794 176.094 -0.162 0.000 1.016 248 V CA -0.829 61.365 62.300 -0.178 0.000 0.832 248 V CB 1.086 32.794 31.823 -0.192 0.000 0.999 248 V HN 0.699 nan 8.190 nan 0.000 0.439 249 L N 7.306 128.423 121.223 -0.177 0.000 2.295 249 L HA 0.622 4.949 4.340 -0.023 0.000 0.285 249 L C -0.133 176.631 176.870 -0.177 0.000 1.035 249 L CA 0.124 54.864 54.840 -0.166 0.000 0.806 249 L CB 1.220 43.178 42.059 -0.168 0.000 1.214 249 L HN 0.683 nan 8.230 nan 0.000 0.426 250 K N 4.540 124.837 120.400 -0.172 0.000 2.323 250 K HA 0.787 5.093 4.320 -0.023 0.000 0.259 250 K C -0.153 176.319 176.600 -0.214 0.000 0.947 250 K CA -0.167 56.001 56.287 -0.197 0.000 0.819 250 K CB 1.851 34.224 32.500 -0.211 0.000 1.109 250 K HN 0.905 nan 8.250 nan 0.000 0.429 251 G N 1.648 110.316 108.800 -0.219 0.000 2.152 251 G HA2 0.190 4.137 3.960 -0.023 0.000 0.058 251 G HA3 0.190 4.137 3.960 -0.023 0.000 0.058 251 G C -1.624 173.144 174.900 -0.221 0.000 0.966 251 G CA -0.123 44.846 45.100 -0.219 0.000 1.149 251 G HN 0.667 nan 8.290 nan 0.000 0.402 252 A N 0.422 123.104 122.820 -0.229 0.000 2.335 252 A HA 0.760 5.066 4.320 -0.023 0.000 0.304 252 A C 0.225 177.675 177.584 -0.223 0.000 1.118 252 A CA 0.743 52.628 52.037 -0.253 0.000 0.757 252 A CB 1.184 20.011 19.000 -0.288 0.000 1.188 252 A HN 1.964 nan 8.150 nan 0.000 0.460 253 T N -0.332 114.091 114.554 -0.218 0.000 3.374 253 T HA 0.363 4.699 4.350 -0.023 0.000 0.267 253 T C 1.233 175.813 174.700 -0.201 0.000 0.996 253 T CA 0.480 62.464 62.100 -0.193 0.000 0.977 253 T CB 0.337 69.085 68.868 -0.200 0.000 1.149 253 T HN 0.856 nan 8.240 nan 0.000 0.517 254 G N 1.874 110.557 108.800 -0.194 0.000 2.440 254 G HA2 -0.161 3.785 3.960 -0.023 0.000 0.218 254 G HA3 -0.161 3.785 3.960 -0.023 0.000 0.218 254 G C 1.245 176.034 174.900 -0.185 0.000 1.154 254 G CA 0.964 45.949 45.100 -0.192 0.000 0.767 254 G HN 0.550 nan 8.290 nan 0.000 0.552 255 L N -0.085 121.035 121.223 -0.170 0.000 2.081 255 L HA 0.025 4.351 4.340 -0.023 0.000 0.212 255 L C 2.126 178.785 176.870 -0.353 0.000 1.080 255 L CA 1.706 56.412 54.840 -0.223 0.000 0.754 255 L CB -0.039 41.872 42.059 -0.247 0.000 0.893 255 L HN 0.251 nan 8.230 nan 0.000 0.433 256 L N -2.780 118.233 121.223 -0.350 0.000 2.966 256 L HA 0.166 4.492 4.340 -0.023 0.000 0.262 256 L C 1.500 178.202 176.870 -0.281 0.000 1.165 256 L CA 0.142 54.733 54.840 -0.415 0.000 0.978 256 L CB 0.058 41.863 42.059 -0.424 0.000 1.337 256 L HN -0.006 nan 8.230 nan 0.000 0.563 257 T N -0.425 113.989 114.554 -0.234 0.000 3.040 257 T HA 0.327 4.663 4.350 -0.023 0.000 0.252 257 T C 1.159 175.752 174.700 -0.179 0.000 1.064 257 T CA 0.872 62.856 62.100 -0.193 0.000 1.110 257 T CB 0.503 69.247 68.868 -0.206 0.000 0.921 257 T HN 0.550 nan 8.240 nan 0.000 0.480 258 G N 1.599 110.281 108.800 -0.197 0.000 2.512 258 G HA2 -0.029 3.917 3.960 -0.023 0.000 0.254 258 G HA3 -0.029 3.917 3.960 -0.023 0.000 0.254 258 G C 0.196 174.877 174.900 -0.365 0.000 1.199 258 G CA -0.386 44.595 45.100 -0.198 0.000 0.941 258 G HN 0.850 nan 8.290 nan 0.000 0.569 259 A N 0.115 122.638 122.820 -0.495 0.000 2.498 259 A HA 0.732 5.038 4.320 -0.023 0.000 0.239 259 A C 1.109 178.391 177.584 -0.504 0.000 1.068 259 A CA 1.675 53.211 52.037 -0.836 0.000 0.766 259 A CB 0.091 18.478 19.000 -1.022 0.000 1.003 259 A HN 2.711 nan 8.150 nan 0.000 0.497 260 G N 0.020 108.524 108.800 -0.493 0.000 2.338 260 G HA2 0.560 4.506 3.960 -0.023 0.000 0.295 260 G HA3 0.560 4.506 3.960 -0.023 0.000 0.295 260 G C -0.334 174.391 174.900 -0.291 0.000 1.461 260 G CA 0.017 44.925 45.100 -0.319 0.000 0.817 260 G HN 1.693 nan 8.290 nan 0.000 0.556 261 S N -0.901 114.664 115.700 -0.225 0.000 2.608 261 S HA 0.676 5.132 4.470 -0.023 0.000 0.261 261 S C 0.590 175.019 174.600 -0.284 0.000 1.314 261 S CA -0.466 57.609 58.200 -0.209 0.000 0.992 261 S CB 0.761 63.881 63.200 -0.133 0.000 0.935 261 S HN 0.685 nan 8.310 nan 0.000 0.564 262 L N 0.885 121.864 121.223 -0.405 0.000 2.468 262 L HA 0.573 4.899 4.340 -0.023 0.000 0.254 262 L C 1.708 178.366 176.870 -0.353 0.000 1.171 262 L CA 0.714 55.202 54.840 -0.586 0.000 0.809 262 L CB 0.403 41.704 42.059 -1.264 0.000 1.155 262 L HN 1.141 nan 8.230 nan 0.000 0.473 263 G N 0.558 109.200 108.800 -0.263 0.000 2.850 263 G HA2 -0.058 3.888 3.960 -0.023 0.000 0.207 263 G HA3 -0.058 3.888 3.960 -0.023 0.000 0.207 263 G C -0.110 174.712 174.900 -0.131 0.000 1.302 263 G CA 0.182 45.244 45.100 -0.064 0.000 0.832 263 G HN 1.197 nan 8.290 nan 0.000 0.543 264 A N -1.470 121.253 122.820 -0.161 0.000 2.601 264 A HA 0.806 5.112 4.320 -0.023 0.000 0.291 264 A C -0.706 176.739 177.584 -0.231 0.000 1.075 264 A CA 0.790 52.713 52.037 -0.190 0.000 0.671 264 A CB 1.076 19.973 19.000 -0.172 0.000 1.277 264 A HN 1.107 nan 8.150 nan 0.000 0.417 265 T N 1.259 115.666 114.554 -0.244 0.000 2.841 265 T HA 0.591 4.927 4.350 -0.023 0.000 0.283 265 T C -0.537 173.976 174.700 -0.312 0.000 1.000 265 T CA -0.112 61.818 62.100 -0.284 0.000 0.977 265 T CB 0.731 69.453 68.868 -0.244 0.000 0.979 265 T HN 0.442 nan 8.240 nan 0.000 0.446 266 I N 3.848 124.171 120.570 -0.411 0.000 2.307 266 I HA 0.342 4.498 4.170 -0.023 0.000 0.289 266 I C 0.032 175.951 176.117 -0.330 0.000 1.021 266 I CA -0.714 60.358 61.300 -0.379 0.000 1.224 266 I CB 0.732 38.451 38.000 -0.470 0.000 1.376 266 I HN 0.410 nan 8.210 nan 0.000 0.470 267 N N 7.361 125.890 118.700 -0.285 0.000 2.424 267 N HA 0.504 5.231 4.740 -0.023 0.000 0.271 267 N C -1.351 173.986 175.510 -0.288 0.000 0.985 267 N CA -0.364 52.518 53.050 -0.279 0.000 0.921 267 N CB 1.117 39.482 38.487 -0.204 0.000 1.149 267 N HN 0.387 nan 8.380 nan 0.000 0.492 268 L N 3.921 124.915 121.223 -0.381 0.000 2.307 268 L HA 0.543 4.869 4.340 -0.023 0.000 0.284 268 L C -0.362 176.425 176.870 -0.138 0.000 1.023 268 L CA -0.512 54.077 54.840 -0.418 0.000 0.810 268 L CB 1.369 42.955 42.059 -0.789 0.000 1.231 268 L HN 0.442 nan 8.230 nan 0.000 0.423 269 I N 3.296 123.875 120.570 0.015 0.000 2.389 269 I HA 0.397 4.553 4.170 -0.023 0.000 0.288 269 I C 0.324 176.617 176.117 0.292 0.000 0.999 269 I CA -0.535 60.838 61.300 0.122 0.000 1.129 269 I CB 1.491 39.530 38.000 0.064 0.000 1.288 269 I HN 0.585 nan 8.210 nan 0.000 0.444 270 R N 4.202 124.845 120.500 0.240 0.000 2.594 270 R HA 0.227 4.553 4.340 -0.023 0.000 0.272 270 R C 0.217 176.576 176.300 0.098 0.000 1.074 270 R CA -0.519 55.640 56.100 0.098 0.000 1.105 270 R CB 1.049 31.348 30.300 -0.001 0.000 1.008 270 R HN 0.464 nan 8.270 nan 0.000 0.472 271 K N 2.364 122.791 120.400 0.045 0.000 2.380 271 K HA 0.016 4.322 4.320 -0.023 0.000 0.267 271 K C -0.055 176.679 176.600 0.225 0.000 0.990 271 K CA 0.598 56.966 56.287 0.135 0.000 0.946 271 K CB 0.526 33.106 32.500 0.133 0.000 0.937 271 K HN 0.331 nan 8.250 nan 0.000 0.491 272 K N 1.814 122.305 120.400 0.152 0.000 2.395 272 K HA 0.405 4.711 4.320 -0.023 0.000 0.247 272 K C -2.532 174.100 176.600 0.054 0.000 0.973 272 K CA -2.143 54.219 56.287 0.126 0.000 0.828 272 K CB 1.810 34.375 32.500 0.109 0.000 1.272 272 K HN 0.336 nan 8.250 nan 0.000 0.439 273 P HA 0.094 nan 4.420 nan 0.000 0.274 273 P C -0.833 176.423 177.300 -0.074 0.000 1.246 273 P CA -0.317 62.744 63.100 -0.065 0.000 0.795 273 P CB 0.727 32.353 31.700 -0.124 0.000 1.006 274 T N -3.104 111.387 114.554 -0.106 0.000 2.930 274 T HA 0.385 4.721 4.350 -0.023 0.000 0.290 274 T C 0.591 175.195 174.700 -0.160 0.000 1.052 274 T CA -0.326 61.730 62.100 -0.073 0.000 1.017 274 T CB 0.945 69.789 68.868 -0.040 0.000 1.137 274 T HN 0.278 nan 8.240 nan 0.000 0.511 275 H N -0.147 118.881 119.070 -0.071 0.000 2.544 275 H HA 0.217 4.760 4.556 -0.023 0.000 0.269 275 H C 0.751 176.040 175.328 -0.065 0.000 0.970 275 H CA 0.592 56.588 56.048 -0.086 0.000 1.219 275 H CB 0.403 30.081 29.762 -0.140 0.000 1.421 275 H HN 0.738 nan 8.280 nan 0.000 0.555 276 E N 0.211 120.442 120.200 0.052 0.000 2.202 276 E HA 0.142 4.479 4.350 -0.023 0.000 0.272 276 E C -0.968 175.672 176.600 0.066 0.000 0.951 276 E CA -1.064 55.370 56.400 0.057 0.000 0.813 276 E CB 1.499 31.222 29.700 0.040 0.000 1.151 276 E HN 0.063 nan 8.360 nan 0.000 0.398 277 F N 3.117 123.058 119.950 -0.015 0.000 2.543 277 F HA 0.175 4.688 4.527 -0.023 0.000 0.375 277 F C -0.219 175.595 175.800 0.024 0.000 1.075 277 F CA 0.386 58.380 58.000 -0.011 0.000 1.225 277 F CB 0.417 39.405 39.000 -0.020 0.000 1.099 277 F HN 0.567 nan 8.300 nan 0.000 0.561 278 K N 5.020 124.957 120.400 -0.773 0.000 2.557 278 K HA 0.776 5.082 4.320 -0.023 0.000 0.257 278 K C -1.356 174.920 176.600 -0.541 0.000 0.933 278 K CA -0.915 55.063 56.287 -0.514 0.000 0.820 278 K CB 1.574 33.967 32.500 -0.179 0.000 1.330 278 K HN 0.841 nan 8.250 nan 0.000 0.432 279 G N 1.889 110.514 108.800 -0.291 0.000 2.687 279 G HA2 0.648 4.594 3.960 -0.023 0.000 0.291 279 G HA3 0.648 4.594 3.960 -0.023 0.000 0.291 279 G C -1.720 172.845 174.900 -0.559 0.000 1.420 279 G CA -0.737 44.236 45.100 -0.212 0.000 0.796 279 G HN 0.917 nan 8.290 nan 0.000 0.485 280 H N -2.518 116.193 119.070 -0.598 0.000 3.008 280 H HA 0.739 5.281 4.556 -0.023 0.000 0.354 280 H C -1.848 173.150 175.328 -0.551 0.000 1.252 280 H CA -0.925 54.611 56.048 -0.852 0.000 1.117 280 H CB 1.580 31.079 29.762 -0.438 0.000 1.857 280 H HN 0.493 nan 8.280 nan 0.000 0.547 281 V N 0.986 120.708 119.914 -0.321 0.000 2.604 281 V HA 0.344 4.451 4.120 -0.023 0.000 0.305 281 V C -0.210 175.982 176.094 0.163 0.000 1.043 281 V CA -0.650 61.661 62.300 0.018 0.000 0.888 281 V CB 1.844 33.775 31.823 0.179 0.000 0.995 281 V HN 0.837 nan 8.190 nan 0.000 0.429 282 E N 3.031 123.341 120.200 0.184 0.000 2.266 282 E HA 0.773 5.109 4.350 -0.023 0.000 0.268 282 E C -1.792 174.899 176.600 0.152 0.000 0.879 282 E CA -0.561 55.935 56.400 0.161 0.000 0.762 282 E CB 2.061 31.847 29.700 0.144 0.000 1.199 282 E HN 0.585 nan 8.360 nan 0.000 0.422 283 L N 2.387 123.694 121.223 0.140 0.000 2.431 283 L HA 0.785 5.111 4.340 -0.023 0.000 0.266 283 L C -0.305 176.637 176.870 0.120 0.000 0.978 283 L CA -0.871 54.054 54.840 0.141 0.000 0.822 283 L CB 2.330 44.480 42.059 0.151 0.000 1.310 283 L HN 0.678 nan 8.230 nan 0.000 0.409 284 G N 1.592 110.462 108.800 0.118 0.000 2.701 284 G HA2 0.776 4.723 3.960 -0.023 0.000 0.300 284 G HA3 0.776 4.723 3.960 -0.023 0.000 0.300 284 G C -1.793 173.143 174.900 0.060 0.000 1.410 284 G CA -0.388 44.765 45.100 0.088 0.000 1.014 284 G HN 0.719 nan 8.290 nan 0.000 0.509 285 A N 0.484 123.323 122.820 0.031 0.000 2.398 285 A HA 0.988 5.294 4.320 -0.023 0.000 0.301 285 A C 0.012 177.566 177.584 -0.050 0.000 1.041 285 A CA -0.067 51.900 52.037 -0.116 0.000 0.711 285 A CB 1.868 20.791 19.000 -0.128 0.000 1.240 285 A HN 1.869 nan 8.150 nan 0.000 0.420 286 G N 0.016 108.707 108.800 -0.183 0.000 2.672 286 G HA2 0.553 4.499 3.960 -0.023 0.000 0.292 286 G HA3 0.553 4.499 3.960 -0.023 0.000 0.292 286 G C -0.367 174.402 174.900 -0.218 0.000 1.375 286 G CA -0.435 44.589 45.100 -0.126 0.000 0.890 286 G HN 1.035 nan 8.290 nan 0.000 0.476 287 S N 1.147 116.647 115.700 -0.333 0.000 3.116 287 S HA -0.032 4.424 4.470 -0.023 0.000 0.373 287 S C 0.120 174.475 174.600 -0.408 0.000 1.193 287 S CA 1.243 59.018 58.200 -0.709 0.000 0.972 287 S CB -0.379 61.974 63.200 -1.410 0.000 0.671 287 S HN 0.848 nan 8.310 nan 0.000 0.488 288 W N 2.018 123.336 121.300 0.030 0.000 5.324 288 W HA -0.187 4.460 4.660 -0.023 0.000 0.404 288 W C -0.076 176.439 176.519 -0.006 0.000 1.566 288 W CA 0.236 57.610 57.345 0.049 0.000 0.927 288 W CB -2.945 26.591 29.460 0.127 0.000 2.757 288 W HN 0.982 nan 8.180 nan 0.000 1.382 289 D N -0.677 119.728 120.400 0.009 0.000 2.686 289 D HA -0.223 4.403 4.640 -0.023 0.000 0.235 289 D C 0.283 176.557 176.300 -0.043 0.000 1.160 289 D CA 1.229 55.182 54.000 -0.079 0.000 0.645 289 D CB -1.048 39.728 40.800 -0.040 0.000 1.039 289 D HN 0.302 nan 8.370 nan 0.000 0.423 290 N N 0.695 119.303 118.700 -0.154 0.000 2.415 290 N HA 0.157 4.883 4.740 -0.023 0.000 0.246 290 N C -1.273 174.070 175.510 -0.279 0.000 1.078 290 N CA 0.097 53.107 53.050 -0.067 0.000 0.942 290 N CB 0.219 38.712 38.487 0.010 0.000 1.140 290 N HN 0.133 nan 8.380 nan 0.000 0.501 291 Y N 1.929 122.227 120.300 -0.004 0.000 2.341 291 Y HA 0.407 4.943 4.550 -0.023 0.000 0.338 291 Y C 0.617 176.489 175.900 -0.045 0.000 0.965 291 Y CA -0.981 57.111 58.100 -0.013 0.000 1.108 291 Y CB 1.659 40.107 38.460 -0.020 0.000 1.180 291 Y HN 0.305 nan 8.280 nan 0.000 0.458 292 R N 2.082 122.657 120.500 0.125 0.000 2.599 292 R HA 0.776 5.102 4.340 -0.023 0.000 0.295 292 R C -1.136 175.233 176.300 0.115 0.000 0.963 292 R CA -0.527 55.618 56.100 0.074 0.000 0.883 292 R CB 1.495 31.828 30.300 0.055 0.000 1.171 292 R HN 0.792 nan 8.270 nan 0.000 0.450 293 S N 1.797 117.570 115.700 0.121 0.000 2.599 293 S HA 0.541 4.997 4.470 -0.023 0.000 0.287 293 S C -1.075 173.602 174.600 0.130 0.000 1.105 293 S CA -0.781 57.505 58.200 0.145 0.000 0.899 293 S CB 2.139 65.444 63.200 0.175 0.000 1.100 293 S HN 0.747 nan 8.310 nan 0.000 0.482 294 E N 0.703 120.979 120.200 0.125 0.000 2.347 294 E HA 0.473 4.809 4.350 -0.023 0.000 0.285 294 E C -2.337 174.310 176.600 0.079 0.000 0.925 294 E CA -0.731 55.730 56.400 0.101 0.000 0.779 294 E CB 1.561 31.327 29.700 0.111 0.000 1.233 294 E HN 0.549 nan 8.360 nan 0.000 0.414 295 L N 3.853 125.095 121.223 0.031 0.000 2.365 295 L HA 0.638 4.964 4.340 -0.023 0.000 0.273 295 L C -1.607 175.201 176.870 -0.103 0.000 1.000 295 L CA -0.368 54.463 54.840 -0.016 0.000 0.819 295 L CB 1.674 43.761 42.059 0.047 0.000 1.284 295 L HN 0.632 nan 8.230 nan 0.000 0.418 296 D N 3.851 124.098 120.400 -0.255 0.000 2.616 296 D HA 0.473 5.099 4.640 -0.023 0.000 0.238 296 D C -1.713 174.439 176.300 -0.247 0.000 1.354 296 D CA -0.063 53.754 54.000 -0.305 0.000 0.970 296 D CB 1.595 42.025 40.800 -0.616 0.000 1.369 296 D HN 0.244 nan 8.370 nan 0.000 0.585 297 V N 1.378 121.210 119.914 -0.137 0.000 2.604 297 V HA 0.822 4.928 4.120 -0.023 0.000 0.305 297 V C 0.007 175.997 176.094 -0.174 0.000 1.043 297 V CA -0.816 61.393 62.300 -0.152 0.000 0.888 297 V CB 1.729 33.502 31.823 -0.083 0.000 0.995 297 V HN 0.492 nan 8.190 nan 0.000 0.429 298 S N 1.614 117.152 115.700 -0.270 0.000 2.575 298 S HA 0.941 5.398 4.470 -0.023 0.000 0.278 298 S C -0.158 174.326 174.600 -0.193 0.000 1.139 298 S CA 0.323 58.402 58.200 -0.202 0.000 0.954 298 S CB 1.526 64.629 63.200 -0.163 0.000 1.054 298 S HN 1.691 nan 8.310 nan 0.000 0.483 299 G N 3.462 112.203 108.800 -0.099 0.000 2.349 299 G HA2 0.484 4.430 3.960 -0.023 0.000 0.294 299 G HA3 0.484 4.430 3.960 -0.023 0.000 0.294 299 G C -3.572 171.283 174.900 -0.074 0.000 1.380 299 G CA -0.717 44.363 45.100 -0.033 0.000 0.811 299 G HN 0.480 nan 8.290 nan 0.000 0.519 300 P HA 0.360 nan 4.420 nan 0.000 0.275 300 P C 0.164 177.428 177.300 -0.060 0.000 1.227 300 P CA -0.236 62.807 63.100 -0.095 0.000 0.781 300 P CB 1.765 33.431 31.700 -0.055 0.000 0.906 301 L N 1.449 122.619 121.223 -0.088 0.000 2.858 301 L HA 0.192 4.518 4.340 -0.023 0.000 0.251 301 L C 0.605 177.441 176.870 -0.056 0.000 1.149 301 L CA 0.329 55.125 54.840 -0.075 0.000 0.955 301 L CB 0.389 42.382 42.059 -0.110 0.000 1.289 301 L HN 0.505 nan 8.230 nan 0.000 0.542 302 T N -4.960 109.565 114.554 -0.048 0.000 2.933 302 T HA 0.179 4.516 4.350 -0.023 0.000 0.305 302 T C 0.853 175.542 174.700 -0.018 0.000 1.092 302 T CA -0.603 61.481 62.100 -0.026 0.000 1.008 302 T CB 1.837 70.697 68.868 -0.013 0.000 1.102 302 T HN 0.283 nan 8.240 nan 0.000 0.469 303 E N 2.304 122.497 120.200 -0.012 0.000 2.149 303 E HA -0.338 3.998 4.350 -0.023 0.000 0.215 303 E C 1.697 178.298 176.600 0.003 0.000 1.055 303 E CA 2.271 58.667 56.400 -0.006 0.000 0.870 303 E CB -0.947 28.751 29.700 -0.003 0.000 0.764 303 E HN 0.732 nan 8.360 nan 0.000 0.463 304 S N 0.222 115.928 115.700 0.009 0.000 2.515 304 S HA 0.140 4.596 4.470 -0.023 0.000 0.231 304 S C 1.642 176.258 174.600 0.027 0.000 0.987 304 S CA 0.345 58.557 58.200 0.020 0.000 0.936 304 S CB -0.247 62.968 63.200 0.026 0.000 0.766 304 S HN 0.730 nan 8.310 nan 0.000 0.528 305 G N 3.374 112.180 108.800 0.009 0.000 2.390 305 G HA2 -0.324 3.622 3.960 -0.023 0.000 0.299 305 G HA3 -0.324 3.622 3.960 -0.023 0.000 0.299 305 G C 0.462 175.365 174.900 0.004 0.000 1.002 305 G CA 0.463 45.560 45.100 -0.005 0.000 0.979 305 G HN 0.767 nan 8.290 nan 0.000 0.513 306 N N -1.152 117.552 118.700 0.006 0.000 2.299 306 N HA 0.143 4.869 4.740 -0.023 0.000 0.187 306 N C 0.754 176.254 175.510 -0.017 0.000 1.099 306 N CA 0.740 53.804 53.050 0.025 0.000 0.867 306 N CB 0.601 39.120 38.487 0.053 0.000 0.974 306 N HN 1.119 nan 8.380 nan 0.000 0.477 307 V N -1.144 118.719 119.914 -0.084 0.000 2.769 307 V HA 0.733 4.839 4.120 -0.023 0.000 0.312 307 V C -1.057 174.886 176.094 -0.252 0.000 1.061 307 V CA -0.888 61.275 62.300 -0.230 0.000 0.931 307 V CB 2.310 33.968 31.823 -0.275 0.000 1.010 307 V HN 0.094 nan 8.190 nan 0.000 0.433 308 R N 2.494 122.792 120.500 -0.336 0.000 2.710 308 R HA 0.806 5.133 4.340 -0.023 0.000 0.270 308 R C -0.655 175.471 176.300 -0.289 0.000 1.021 308 R CA -0.243 55.683 56.100 -0.290 0.000 0.889 308 R CB 2.533 32.633 30.300 -0.335 0.000 1.243 308 R HN 1.241 nan 8.270 nan 0.000 0.464 309 G N 0.922 109.590 108.800 -0.220 0.000 2.720 309 G HA2 0.588 4.534 3.960 -0.023 0.000 0.295 309 G HA3 0.588 4.534 3.960 -0.023 0.000 0.295 309 G C -1.870 172.933 174.900 -0.162 0.000 1.437 309 G CA -0.574 44.404 45.100 -0.203 0.000 0.886 309 G HN 0.418 nan 8.290 nan 0.000 0.509 310 R N 0.021 120.415 120.500 -0.176 0.000 2.621 310 R HA 0.744 5.070 4.340 -0.023 0.000 0.284 310 R C -0.957 175.220 176.300 -0.205 0.000 0.998 310 R CA -0.522 55.484 56.100 -0.155 0.000 0.895 310 R CB 2.048 32.290 30.300 -0.097 0.000 1.195 310 R HN 0.960 nan 8.270 nan 0.000 0.450 311 A N 3.207 125.948 122.820 -0.133 0.000 2.374 311 A HA 0.662 4.968 4.320 -0.023 0.000 0.305 311 A C -1.403 176.171 177.584 -0.017 0.000 1.053 311 A CA -0.643 51.334 52.037 -0.100 0.000 0.726 311 A CB 1.819 20.779 19.000 -0.068 0.000 1.229 311 A HN 0.584 nan 8.150 nan 0.000 0.431 312 V N 0.538 120.494 119.914 0.070 0.000 2.925 312 V HA 0.987 5.094 4.120 -0.023 0.000 0.311 312 V C -0.473 175.688 176.094 0.112 0.000 1.104 312 V CA 0.069 62.422 62.300 0.088 0.000 0.954 312 V CB 1.706 33.584 31.823 0.092 0.000 1.022 312 V HN 2.195 nan 8.190 nan 0.000 0.427 313 A N 3.787 126.639 122.820 0.053 0.000 2.539 313 A HA 1.096 5.402 4.320 -0.023 0.000 0.296 313 A C -0.424 177.143 177.584 -0.028 0.000 1.073 313 A CA -0.254 51.768 52.037 -0.025 0.000 0.700 313 A CB 1.904 20.927 19.000 0.038 0.000 1.296 313 A HN 2.621 nan 8.150 nan 0.000 0.405 314 A N 0.414 123.186 122.820 -0.080 0.000 2.566 314 A HA 0.678 4.984 4.320 -0.023 0.000 0.297 314 A C -1.916 175.709 177.584 0.068 0.000 1.059 314 A CA -0.341 51.709 52.037 0.021 0.000 0.691 314 A CB 1.057 20.074 19.000 0.029 0.000 1.282 314 A HN 1.920 nan 8.150 nan 0.000 0.401 315 Y N 0.833 121.121 120.300 -0.020 0.000 2.492 315 Y HA 0.736 5.271 4.550 -0.025 0.000 0.346 315 Y C -0.659 175.277 175.900 0.060 0.000 0.997 315 Y CA -0.780 57.324 58.100 0.006 0.000 1.025 315 Y CB 2.177 40.646 38.460 0.016 0.000 1.263 315 Y HN 0.879 nan 8.280 nan 0.000 0.454 316 Q N 4.165 123.713 119.800 -0.420 0.000 2.268 316 Q HA 0.398 4.724 4.340 -0.023 0.000 0.266 316 Q C -2.478 173.243 176.000 -0.465 0.000 1.006 316 Q CA -0.664 54.940 55.803 -0.332 0.000 0.824 316 Q CB 1.764 30.458 28.738 -0.073 0.000 1.306 316 Q HN 0.680 nan 8.270 nan 0.000 0.424 317 D N 2.816 123.021 120.400 -0.325 0.000 2.757 317 D HA 0.484 5.110 4.640 -0.023 0.000 0.249 317 D C -1.818 174.539 176.300 0.095 0.000 1.168 317 D CA -0.313 53.602 54.000 -0.141 0.000 0.870 317 D CB 1.243 41.945 40.800 -0.164 0.000 1.411 317 D HN 0.577 nan 8.370 nan 0.000 0.525 318 K N 1.750 122.249 120.400 0.164 0.000 2.543 318 K HA 0.455 4.761 4.320 -0.023 0.000 0.255 318 K C -0.715 176.103 176.600 0.364 0.000 0.934 318 K CA -0.741 55.692 56.287 0.243 0.000 0.810 318 K CB 1.742 34.359 32.500 0.195 0.000 1.315 318 K HN 0.337 nan 8.250 nan 0.000 0.433 319 H N 0.297 119.470 119.070 0.172 0.000 2.965 319 H HA 0.547 5.090 4.556 -0.022 0.000 0.220 319 H C -0.388 175.057 175.328 0.195 0.000 1.548 319 H CA -1.041 55.096 56.048 0.148 0.000 1.658 319 H CB 1.605 31.456 29.762 0.148 0.000 1.509 319 H HN 0.626 nan 8.280 nan 0.000 0.930 320 S N -0.924 114.896 115.700 0.199 0.000 2.615 320 S HA 0.086 4.543 4.470 -0.023 0.000 0.269 320 S C 0.110 174.226 174.600 -0.805 0.000 1.161 320 S CA -0.641 57.465 58.200 -0.158 0.000 0.817 320 S CB 0.350 63.428 63.200 -0.204 0.000 1.131 320 S HN 0.538 nan 8.310 nan 0.000 0.467 321 F N 1.275 120.308 119.950 -1.527 0.000 2.365 321 F HA 0.405 4.920 4.527 -0.020 0.000 0.300 321 F C 0.838 176.267 175.800 -0.619 0.000 1.090 321 F CA 0.241 57.354 58.000 -1.479 0.000 1.408 321 F CB -0.431 37.761 39.000 -1.348 0.000 1.060 321 F HN 0.306 nan 8.300 nan 0.000 0.534 322 M N 1.979 120.723 119.600 -1.427 0.000 2.200 322 M HA 0.063 4.529 4.480 -0.023 0.000 0.355 322 M C -0.169 175.808 176.300 -0.538 0.000 1.283 322 M CA -0.123 54.630 55.300 -0.911 0.000 1.124 322 M CB 0.410 32.447 32.600 -0.938 0.000 1.625 322 M HN 0.055 nan 8.290 nan 0.000 0.463 323 D N 2.475 122.601 120.400 -0.457 0.000 2.449 323 D HA -0.081 4.545 4.640 -0.023 0.000 0.236 323 D C 0.743 176.583 176.300 -0.766 0.000 1.149 323 D CA 0.853 54.588 54.000 -0.442 0.000 0.878 323 D CB 0.458 41.041 40.800 -0.362 0.000 1.198 323 D HN 0.794 nan 8.370 nan 0.000 0.446 324 H N 0.941 119.916 119.070 -0.157 0.000 2.696 324 H HA -0.322 4.221 4.556 -0.022 0.000 0.312 324 H C -1.106 174.147 175.328 -0.126 0.000 1.066 324 H CA 0.478 56.425 56.048 -0.169 0.000 1.155 324 H CB -2.558 27.074 29.762 -0.217 0.000 1.380 324 H HN 0.429 nan 8.280 nan 0.000 0.388 325 Y N 1.814 121.930 120.300 -0.306 0.000 2.330 325 Y HA 0.440 4.978 4.550 -0.021 0.000 0.336 325 Y C 0.167 175.941 175.900 -0.211 0.000 1.036 325 Y CA -0.385 57.585 58.100 -0.217 0.000 1.125 325 Y CB 1.225 39.531 38.460 -0.258 0.000 1.194 325 Y HN 0.556 nan 8.280 nan 0.000 0.469 326 E N 4.995 124.792 120.200 -0.673 0.000 2.383 326 E HA 0.608 4.944 4.350 -0.023 0.000 0.275 326 E C -1.795 174.484 176.600 -0.535 0.000 0.918 326 E CA -1.318 54.783 56.400 -0.497 0.000 0.764 326 E CB 2.132 31.558 29.700 -0.457 0.000 1.252 326 E HN 0.643 nan 8.360 nan 0.000 0.449 327 R N 1.556 121.921 120.500 -0.225 0.000 2.510 327 R HA 0.345 4.672 4.340 -0.023 0.000 0.287 327 R C -1.366 174.932 176.300 -0.004 0.000 1.084 327 R CA -0.700 55.326 56.100 -0.124 0.000 0.934 327 R CB 1.428 31.692 30.300 -0.060 0.000 1.201 327 R HN 0.553 nan 8.270 nan 0.000 0.431 328 K N 2.501 122.920 120.400 0.032 0.000 2.240 328 K HA 0.256 4.563 4.320 -0.023 0.000 0.271 328 K C -0.625 176.048 176.600 0.120 0.000 1.018 328 K CA -0.462 55.874 56.287 0.083 0.000 0.874 328 K CB 1.960 34.584 32.500 0.206 0.000 1.098 328 K HN 0.608 nan 8.250 nan 0.000 0.458 329 T N -0.651 113.959 114.554 0.093 0.000 2.876 329 T HA 0.477 4.813 4.350 -0.023 0.000 0.289 329 T C -0.677 174.161 174.700 0.229 0.000 1.014 329 T CA -0.597 61.585 62.100 0.138 0.000 0.986 329 T CB 1.387 70.304 68.868 0.081 0.000 1.021 329 T HN 0.288 nan 8.240 nan 0.000 0.458 330 S N 2.026 117.852 115.700 0.210 0.000 2.557 330 S HA 0.730 5.186 4.470 -0.023 0.000 0.291 330 S C -0.958 173.697 174.600 0.091 0.000 1.116 330 S CA -0.732 57.569 58.200 0.169 0.000 0.992 330 S CB 1.472 64.826 63.200 0.256 0.000 1.028 330 S HN 1.206 nan 8.310 nan 0.000 0.484 331 V N 3.982 123.830 119.914 -0.110 0.000 2.760 331 V HA 0.789 4.895 4.120 -0.023 0.000 0.309 331 V C -2.369 173.579 176.094 -0.243 0.000 1.077 331 V CA -0.464 61.820 62.300 -0.026 0.000 0.910 331 V CB 1.408 33.243 31.823 0.021 0.000 1.008 331 V HN 0.854 nan 8.190 nan 0.000 0.424 332 Y N 5.591 126.052 120.300 0.267 0.000 2.477 332 Y HA 0.792 5.327 4.550 -0.025 0.000 0.347 332 Y C -0.937 175.115 175.900 0.253 0.000 0.981 332 Y CA -0.760 57.450 58.100 0.184 0.000 1.033 332 Y CB 2.281 40.787 38.460 0.077 0.000 1.245 332 Y HN 0.814 nan 8.280 nan 0.000 0.455 333 Y N 0.929 121.338 120.300 0.182 0.000 2.441 333 Y HA 0.772 5.308 4.550 -0.024 0.000 0.334 333 Y C -0.913 175.031 175.900 0.073 0.000 1.061 333 Y CA -1.498 56.668 58.100 0.110 0.000 1.032 333 Y CB 2.093 40.578 38.460 0.042 0.000 1.266 333 Y HN 0.706 nan 8.280 nan 0.000 0.441 334 G N 5.815 114.398 108.800 -0.362 0.000 2.701 334 G HA2 0.642 4.588 3.960 -0.023 0.000 0.300 334 G HA3 0.642 4.588 3.960 -0.023 0.000 0.300 334 G C -2.265 172.288 174.900 -0.578 0.000 1.410 334 G CA -0.776 44.055 45.100 -0.449 0.000 1.014 334 G HN 0.814 nan 8.290 nan 0.000 0.509 335 I N 1.325 121.589 120.570 -0.510 0.000 2.692 335 I HA 0.644 4.800 4.170 -0.023 0.000 0.293 335 I C -1.623 174.357 176.117 -0.229 0.000 1.200 335 I CA -1.172 59.932 61.300 -0.327 0.000 1.036 335 I CB 2.068 39.935 38.000 -0.222 0.000 1.258 335 I HN 0.368 nan 8.210 nan 0.000 0.421 336 L N 6.373 127.486 121.223 -0.184 0.000 2.386 336 L HA 0.551 4.877 4.340 -0.023 0.000 0.271 336 L C -0.858 175.849 176.870 -0.272 0.000 0.993 336 L CA -0.538 54.127 54.840 -0.293 0.000 0.819 336 L CB 2.147 43.992 42.059 -0.358 0.000 1.294 336 L HN 0.541 nan 8.230 nan 0.000 0.414 337 E N 2.332 122.304 120.200 -0.380 0.000 2.165 337 E HA 0.476 4.812 4.350 -0.023 0.000 0.266 337 E C -1.612 174.783 176.600 -0.343 0.000 0.889 337 E CA -0.512 55.761 56.400 -0.211 0.000 0.756 337 E CB 1.534 31.167 29.700 -0.111 0.000 1.131 337 E HN 0.222 nan 8.360 nan 0.000 0.411 338 F N 1.969 121.918 119.950 -0.001 0.000 2.444 338 F HA 0.271 4.784 4.527 -0.023 0.000 0.342 338 F C 0.151 175.962 175.800 0.017 0.000 1.121 338 F CA -1.100 56.900 58.000 0.001 0.000 0.997 338 F CB 1.090 40.089 39.000 -0.001 0.000 1.130 338 F HN 0.214 nan 8.300 nan 0.000 0.454 339 D N 4.740 125.241 120.400 0.169 0.000 2.393 339 D HA 0.204 4.830 4.640 -0.023 0.000 0.232 339 D C 1.276 177.649 176.300 0.121 0.000 1.192 339 D CA 0.120 54.195 54.000 0.125 0.000 0.882 339 D CB 1.166 42.023 40.800 0.095 0.000 1.038 339 D HN 0.507 nan 8.370 nan 0.000 0.499 340 L N 2.267 123.554 121.223 0.108 0.000 2.046 340 L HA -0.158 4.168 4.340 -0.023 0.000 0.208 340 L C 0.753 177.660 176.870 0.062 0.000 1.077 340 L CA 1.086 55.971 54.840 0.076 0.000 0.747 340 L CB -0.405 41.690 42.059 0.060 0.000 0.896 340 L HN 0.411 nan 8.230 nan 0.000 0.432 341 N N -4.173 114.564 118.700 0.061 0.000 3.308 341 N HA 0.211 4.937 4.740 -0.023 0.000 0.276 341 N C -2.451 173.083 175.510 0.041 0.000 1.533 341 N CA -1.351 51.728 53.050 0.049 0.000 0.878 341 N CB -0.039 38.474 38.487 0.043 0.000 1.566 341 N HN -0.412 nan 8.380 nan 0.000 0.546 342 P HA -0.147 nan 4.420 nan 0.000 0.219 342 P C -0.672 176.624 177.300 -0.006 0.000 1.145 342 P CA 1.845 64.959 63.100 0.025 0.000 0.813 342 P CB -0.193 31.522 31.700 0.025 0.000 0.771 343 D N -3.231 117.141 120.400 -0.046 0.000 2.582 343 D HA 0.111 4.737 4.640 -0.023 0.000 0.246 343 D C -0.537 175.639 176.300 -0.208 0.000 1.334 343 D CA -0.299 53.610 54.000 -0.153 0.000 0.805 343 D CB -0.151 40.489 40.800 -0.267 0.000 1.087 343 D HN -0.101 nan 8.370 nan 0.000 0.499 344 T N 0.583 115.119 114.554 -0.030 0.000 2.928 344 T HA 0.471 4.808 4.350 -0.023 0.000 0.296 344 T C -0.970 173.777 174.700 0.078 0.000 1.000 344 T CA -0.606 61.533 62.100 0.065 0.000 0.989 344 T CB 1.842 70.825 68.868 0.191 0.000 1.005 344 T HN 0.124 nan 8.240 nan 0.000 0.442 345 M N 4.147 123.800 119.600 0.089 0.000 2.326 345 M HA 0.665 5.132 4.480 -0.023 0.000 0.306 345 M C -1.907 174.470 176.300 0.129 0.000 1.054 345 M CA -1.235 54.132 55.300 0.111 0.000 0.922 345 M CB 1.736 34.398 32.600 0.103 0.000 1.632 345 M HN 0.592 nan 8.290 nan 0.000 0.436 346 L N 4.658 125.978 121.223 0.162 0.000 2.295 346 L HA 0.688 5.014 4.340 -0.023 0.000 0.285 346 L C -1.149 175.873 176.870 0.253 0.000 1.035 346 L CA 0.536 55.481 54.840 0.177 0.000 0.806 346 L CB 1.860 43.995 42.059 0.127 0.000 1.214 346 L HN 0.749 nan 8.230 nan 0.000 0.426 347 T N 4.923 119.610 114.554 0.223 0.000 2.861 347 T HA 0.707 5.043 4.350 -0.023 0.000 0.287 347 T C -0.884 173.932 174.700 0.194 0.000 1.003 347 T CA -0.421 61.815 62.100 0.227 0.000 0.977 347 T CB 1.654 70.665 68.868 0.239 0.000 0.996 347 T HN 0.657 nan 8.240 nan 0.000 0.448 348 V N -0.287 119.695 119.914 0.113 0.000 2.925 348 V HA 1.100 5.207 4.120 -0.023 0.000 0.311 348 V C -0.256 175.633 176.094 -0.342 0.000 1.104 348 V CA -0.576 61.677 62.300 -0.079 0.000 0.954 348 V CB 1.654 33.482 31.823 0.009 0.000 1.022 348 V HN 1.193 nan 8.190 nan 0.000 0.427 349 G N 1.114 109.391 108.800 -0.871 0.000 2.623 349 G HA2 0.962 4.908 3.960 -0.023 0.000 0.290 349 G HA3 0.962 4.908 3.960 -0.023 0.000 0.290 349 G C -1.204 173.206 174.900 -0.817 0.000 1.437 349 G CA -0.257 44.292 45.100 -0.917 0.000 0.798 349 G HN 1.915 nan 8.290 nan 0.000 0.488 350 A N 0.301 122.968 122.820 -0.254 0.000 2.520 350 A HA 0.857 5.163 4.320 -0.023 0.000 0.298 350 A C -1.419 176.346 177.584 0.301 0.000 1.051 350 A CA -0.259 51.801 52.037 0.039 0.000 0.690 350 A CB 2.219 21.227 19.000 0.013 0.000 1.281 350 A HN 1.331 nan 8.150 nan 0.000 0.402 351 D N -0.688 119.925 120.400 0.355 0.000 2.559 351 D HA 0.685 5.311 4.640 -0.023 0.000 0.250 351 D C -1.161 175.349 176.300 0.351 0.000 1.135 351 D CA -0.498 53.734 54.000 0.387 0.000 0.955 351 D CB 1.272 42.265 40.800 0.322 0.000 1.442 351 D HN 0.709 nan 8.370 nan 0.000 0.471 352 Y N -0.446 119.969 120.300 0.192 0.000 2.480 352 Y HA 0.440 4.974 4.550 -0.026 0.000 0.329 352 Y C -1.997 174.008 175.900 0.175 0.000 1.127 352 Y CA -0.469 57.749 58.100 0.197 0.000 1.037 352 Y CB 1.830 40.445 38.460 0.259 0.000 1.320 352 Y HN 0.618 nan 8.280 nan 0.000 0.446 353 Q N 4.571 124.148 119.800 -0.371 0.000 2.268 353 Q HA 0.330 4.656 4.340 -0.023 0.000 0.266 353 Q C -2.360 173.443 176.000 -0.329 0.000 1.006 353 Q CA -0.749 54.924 55.803 -0.215 0.000 0.824 353 Q CB 1.892 30.601 28.738 -0.050 0.000 1.306 353 Q HN 0.748 nan 8.270 nan 0.000 0.424 354 D N 2.221 122.541 120.400 -0.133 0.000 2.375 354 D HA 0.365 4.992 4.640 -0.023 0.000 0.247 354 D C -1.224 175.120 176.300 0.073 0.000 1.061 354 D CA -0.293 53.701 54.000 -0.010 0.000 0.834 354 D CB 1.101 41.955 40.800 0.090 0.000 1.247 354 D HN 0.426 nan 8.370 nan 0.000 0.489 355 N N 3.206 121.954 118.700 0.079 0.000 2.483 355 N HA 0.220 4.946 4.740 -0.023 0.000 0.267 355 N C -1.496 174.072 175.510 0.097 0.000 0.998 355 N CA -0.498 52.595 53.050 0.071 0.000 0.918 355 N CB 1.695 40.197 38.487 0.024 0.000 1.215 355 N HN 0.372 nan 8.380 nan 0.000 0.500 356 D N 2.747 123.203 120.400 0.094 0.000 2.378 356 D HA 0.338 4.964 4.640 -0.023 0.000 0.265 356 D C -2.590 173.742 176.300 0.053 0.000 1.229 356 D CA -1.509 52.551 54.000 0.101 0.000 0.914 356 D CB 1.731 42.597 40.800 0.110 0.000 1.140 356 D HN 0.215 nan 8.370 nan 0.000 0.516 357 P HA 0.600 nan 4.420 nan 0.000 0.288 357 P C -1.050 176.222 177.300 -0.046 0.000 1.297 357 P CA -0.892 62.153 63.100 -0.092 0.000 0.864 357 P CB 1.732 33.398 31.700 -0.055 0.000 1.237 358 K N -1.054 119.237 120.400 -0.181 0.000 2.501 358 K HA 0.595 4.901 4.320 -0.023 0.000 0.252 358 K C 0.256 176.816 176.600 -0.066 0.000 0.934 358 K CA 0.019 56.273 56.287 -0.056 0.000 0.797 358 K CB 1.111 33.569 32.500 -0.070 0.000 1.270 358 K HN 0.735 nan 8.250 nan 0.000 0.431 359 G N 1.056 109.903 108.800 0.078 0.000 2.137 359 G HA2 -0.251 3.696 3.960 -0.023 0.000 0.237 359 G HA3 -0.251 3.696 3.960 -0.023 0.000 0.237 359 G C -0.146 174.958 174.900 0.341 0.000 1.002 359 G CA 0.304 45.529 45.100 0.209 0.000 0.702 359 G HN 0.478 nan 8.290 nan 0.000 0.515 360 S N -0.022 115.870 115.700 0.320 0.000 2.563 360 S HA 0.499 4.955 4.470 -0.023 0.000 0.284 360 S C 0.944 175.735 174.600 0.319 0.000 1.331 360 S CA 0.470 58.904 58.200 0.391 0.000 1.047 360 S CB 1.430 64.868 63.200 0.398 0.000 0.859 360 S HN 1.384 nan 8.310 nan 0.000 0.514 361 G N 0.632 109.626 108.800 0.323 0.000 2.473 361 G HA2 0.407 4.354 3.960 -0.023 0.000 0.321 361 G HA3 0.407 4.354 3.960 -0.023 0.000 0.321 361 G C 0.255 175.384 174.900 0.382 0.000 1.200 361 G CA -0.814 44.483 45.100 0.329 0.000 0.963 361 G HN 0.791 nan 8.290 nan 0.000 0.483 362 W N 1.238 122.632 121.300 0.157 0.000 2.381 362 W HA 0.006 4.649 4.660 -0.029 0.000 0.323 362 W C 0.516 177.137 176.519 0.170 0.000 1.194 362 W CA 1.789 59.189 57.345 0.092 0.000 1.296 362 W CB -0.042 29.421 29.460 0.004 0.000 1.175 362 W HN 0.537 nan 8.180 nan 0.000 0.465 363 S N 0.292 116.280 115.700 0.479 0.000 2.721 363 S HA 0.540 4.997 4.470 -0.023 0.000 0.264 363 S C -0.194 174.627 174.600 0.369 0.000 1.161 363 S CA 0.007 58.492 58.200 0.474 0.000 1.113 363 S CB 1.131 64.460 63.200 0.217 0.000 1.079 363 S HN 0.803 nan 8.310 nan 0.000 0.479 364 G N 2.624 111.637 108.800 0.355 0.000 2.877 364 G HA2 -0.180 3.767 3.960 -0.023 0.000 0.279 364 G HA3 -0.180 3.767 3.960 -0.023 0.000 0.279 364 G C 0.450 175.444 174.900 0.156 0.000 1.431 364 G CA -0.244 44.959 45.100 0.172 0.000 0.883 364 G HN 1.283 nan 8.290 nan 0.000 0.547 365 S N -0.368 115.400 115.700 0.113 0.000 2.524 365 S HA 0.506 4.962 4.470 -0.023 0.000 0.216 365 S C 0.203 175.165 174.600 0.603 0.000 0.987 365 S CA 1.531 59.936 58.200 0.342 0.000 0.909 365 S CB -0.270 63.193 63.200 0.438 0.000 0.781 365 S HN 1.614 nan 8.310 nan 0.000 0.521 366 F N -1.407 118.660 119.950 0.195 0.000 2.793 366 F HA 0.531 5.043 4.527 -0.024 0.000 0.316 366 F C -3.611 172.211 175.800 0.038 0.000 1.147 366 F CA -2.251 55.832 58.000 0.138 0.000 0.930 366 F CB 0.451 39.390 39.000 -0.101 0.000 1.277 366 F HN -0.316 nan 8.300 nan 0.000 0.443 367 P HA 0.337 nan 4.420 nan 0.000 0.286 367 P C 0.614 177.878 177.300 -0.059 0.000 1.269 367 P CA -0.360 62.743 63.100 0.004 0.000 0.787 367 P CB 1.861 33.613 31.700 0.086 0.000 0.920 368 L N 2.185 123.221 121.223 -0.311 0.000 1.990 368 L HA -0.140 4.186 4.340 -0.023 0.000 0.213 368 L C 0.820 177.430 176.870 -0.433 0.000 1.072 368 L CA 1.843 56.370 54.840 -0.521 0.000 0.755 368 L CB -0.501 40.958 42.059 -1.001 0.000 0.889 368 L HN 0.298 nan 8.230 nan 0.000 0.432 369 F N -0.445 119.463 119.950 -0.069 0.000 2.458 369 F HA 0.249 4.762 4.527 -0.023 0.000 0.330 369 F C 0.446 176.165 175.800 -0.136 0.000 1.082 369 F CA -1.672 56.286 58.000 -0.070 0.000 0.995 369 F CB 0.748 39.687 39.000 -0.101 0.000 1.170 369 F HN -0.011 nan 8.300 nan 0.000 0.478 370 D N -0.526 119.912 120.400 0.063 0.000 2.478 370 D HA 0.133 4.759 4.640 -0.023 0.000 0.269 370 D C 1.231 177.452 176.300 -0.132 0.000 1.232 370 D CA -0.144 53.802 54.000 -0.089 0.000 1.059 370 D CB 0.200 40.938 40.800 -0.103 0.000 1.104 370 D HN 0.443 nan 8.370 nan 0.000 0.566 371 S N -0.847 114.753 115.700 -0.167 0.000 2.400 371 S HA -0.282 4.174 4.470 -0.023 0.000 0.232 371 S C 1.481 175.982 174.600 -0.165 0.000 1.025 371 S CA 1.582 59.650 58.200 -0.221 0.000 0.993 371 S CB -0.819 62.302 63.200 -0.132 0.000 0.808 371 S HN 0.716 nan 8.310 nan 0.000 0.478 372 Q N 0.164 119.902 119.800 -0.103 0.000 2.319 372 Q HA 0.457 4.783 4.340 -0.023 0.000 0.209 372 Q C 1.211 177.155 176.000 -0.092 0.000 0.884 372 Q CA 0.377 56.127 55.803 -0.090 0.000 0.938 372 Q CB 0.202 28.906 28.738 -0.056 0.000 1.098 372 Q HN 0.726 nan 8.270 nan 0.000 0.517 373 G N 1.413 110.172 108.800 -0.069 0.000 2.138 373 G HA2 -0.168 3.778 3.960 -0.023 0.000 0.193 373 G HA3 -0.168 3.778 3.960 -0.023 0.000 0.193 373 G C -0.425 174.522 174.900 0.079 0.000 0.998 373 G CA -0.350 44.705 45.100 -0.074 0.000 0.668 373 G HN 0.252 nan 8.290 nan 0.000 0.516 374 N N 0.378 119.135 118.700 0.095 0.000 2.424 374 N HA 0.372 5.098 4.740 -0.023 0.000 0.257 374 N C 0.602 176.235 175.510 0.206 0.000 1.250 374 N CA -0.026 53.103 53.050 0.131 0.000 0.946 374 N CB 0.447 38.971 38.487 0.061 0.000 1.175 374 N HN 0.416 nan 8.380 nan 0.000 0.477 375 R N 1.066 121.656 120.500 0.150 0.000 2.308 375 R HA 0.226 4.552 4.340 -0.023 0.000 0.305 375 R C -0.218 176.120 176.300 0.063 0.000 1.053 375 R CA -0.610 55.532 56.100 0.070 0.000 0.957 375 R CB 0.388 30.714 30.300 0.044 0.000 1.022 375 R HN 0.391 nan 8.270 nan 0.000 0.461 376 N N 1.968 120.702 118.700 0.056 0.000 2.497 376 N HA -0.025 4.701 4.740 -0.023 0.000 0.268 376 N C -0.803 174.760 175.510 0.089 0.000 1.171 376 N CA 0.423 53.517 53.050 0.075 0.000 0.948 376 N CB 0.683 39.237 38.487 0.113 0.000 1.069 376 N HN 0.452 nan 8.380 nan 0.000 0.460 377 D N 1.885 122.318 120.400 0.056 0.000 2.329 377 D HA 0.322 4.948 4.640 -0.023 0.000 0.232 377 D C -0.775 175.495 176.300 -0.049 0.000 1.088 377 D CA -0.382 53.643 54.000 0.042 0.000 0.835 377 D CB 0.704 41.544 40.800 0.067 0.000 1.078 377 D HN 0.227 nan 8.370 nan 0.000 0.495 378 V N 0.581 120.387 119.914 -0.180 0.000 2.925 378 V HA 0.579 4.685 4.120 -0.023 0.000 0.311 378 V C 0.449 176.484 176.094 -0.100 0.000 1.104 378 V CA -1.023 61.131 62.300 -0.243 0.000 0.954 378 V CB 1.596 33.007 31.823 -0.686 0.000 1.022 378 V HN 0.390 nan 8.190 nan 0.000 0.427 379 S N 1.605 117.298 115.700 -0.012 0.000 2.553 379 S HA 0.056 4.512 4.470 -0.023 0.000 0.293 379 S C 1.403 175.985 174.600 -0.029 0.000 1.296 379 S CA 0.221 58.416 58.200 -0.009 0.000 1.046 379 S CB 0.189 63.418 63.200 0.047 0.000 0.810 379 S HN 0.851 nan 8.310 nan 0.000 0.505 380 R N 1.327 121.676 120.500 -0.251 0.000 2.189 380 R HA -0.079 4.247 4.340 -0.023 0.000 0.223 380 R C 2.316 178.706 176.300 0.152 0.000 1.092 380 R CA 1.342 57.213 56.100 -0.382 0.000 0.989 380 R CB -0.334 29.510 30.300 -0.760 0.000 0.876 380 R HN 0.753 nan 8.270 nan 0.000 0.457 381 S N 0.347 116.107 115.700 0.100 0.000 2.481 381 S HA -0.097 4.359 4.470 -0.023 0.000 0.231 381 S C 0.615 175.239 174.600 0.041 0.000 0.996 381 S CA -0.034 58.200 58.200 0.056 0.000 0.942 381 S CB -0.388 62.808 63.200 -0.007 0.000 0.768 381 S HN 0.193 nan 8.310 nan 0.000 0.520 382 F N 3.944 123.896 119.950 0.003 0.000 2.602 382 F HA 0.301 4.815 4.527 -0.021 0.000 0.385 382 F C 0.324 176.169 175.800 0.075 0.000 1.063 382 F CA -0.190 57.821 58.000 0.019 0.000 1.233 382 F CB 0.190 39.158 39.000 -0.053 0.000 1.067 382 F HN 0.123 nan 8.300 nan 0.000 0.564 383 N N 4.766 123.309 118.700 -0.263 0.000 2.573 383 N HA 0.125 4.851 4.740 -0.023 0.000 0.262 383 N C 0.221 175.870 175.510 0.231 0.000 1.029 383 N CA -0.735 52.292 53.050 -0.038 0.000 0.882 383 N CB 0.325 38.569 38.487 -0.405 0.000 1.204 383 N HN 0.573 nan 8.380 nan 0.000 0.519 384 N N 1.739 120.704 118.700 0.441 0.000 2.585 384 N HA -0.035 4.691 4.740 -0.023 0.000 0.188 384 N C 0.734 176.541 175.510 0.496 0.000 1.102 384 N CA 0.379 53.699 53.050 0.450 0.000 0.920 384 N CB -0.411 38.322 38.487 0.410 0.000 0.963 384 N HN 0.454 nan 8.380 nan 0.000 0.447 385 G N -0.568 108.504 108.800 0.455 0.000 2.491 385 G HA2 0.446 4.393 3.960 -0.023 0.000 0.238 385 G HA3 0.446 4.393 3.960 -0.023 0.000 0.238 385 G C -0.162 174.962 174.900 0.373 0.000 1.277 385 G CA 0.024 45.343 45.100 0.365 0.000 0.851 385 G HN 0.527 nan 8.290 nan 0.000 0.573 386 A N 1.750 124.584 122.820 0.024 0.000 2.351 386 A HA 0.404 4.711 4.320 -0.023 0.000 0.257 386 A C 1.522 178.799 177.584 -0.512 0.000 1.087 386 A CA -0.225 51.572 52.037 -0.401 0.000 0.798 386 A CB 0.604 19.011 19.000 -0.987 0.000 1.033 386 A HN 0.796 nan 8.150 nan 0.000 0.488 387 K N 1.019 121.074 120.400 -0.575 0.000 2.015 387 K HA -0.180 4.127 4.320 -0.023 0.000 0.216 387 K C 1.641 178.170 176.600 -0.118 0.000 1.052 387 K CA 2.446 58.540 56.287 -0.323 0.000 0.937 387 K CB -0.257 32.089 32.500 -0.256 0.000 0.719 387 K HN 0.987 nan 8.250 nan 0.000 0.446 388 W N 1.150 122.469 121.300 0.033 0.000 2.721 388 W HA 0.065 4.735 4.660 0.016 0.000 0.245 388 W C 0.393 177.006 176.519 0.158 0.000 1.276 388 W CA -0.119 57.279 57.345 0.088 0.000 1.342 388 W CB -0.773 28.740 29.460 0.089 0.000 1.135 388 W HN -0.078 nan 8.180 nan 0.000 0.654 389 S N 1.686 117.372 115.700 -0.022 0.000 2.548 389 S HA 0.328 4.784 4.470 -0.023 0.000 0.277 389 S C -0.355 174.404 174.600 0.265 0.000 1.315 389 S CA -0.061 58.219 58.200 0.133 0.000 1.050 389 S CB 1.300 64.408 63.200 -0.152 0.000 0.918 389 S HN 0.171 nan 8.310 nan 0.000 0.497 390 S N 4.299 120.212 115.700 0.355 0.000 2.603 390 S HA 0.447 4.903 4.470 -0.023 0.000 0.274 390 S C -1.774 173.079 174.600 0.422 0.000 1.168 390 S CA -0.571 57.837 58.200 0.346 0.000 0.963 390 S CB 0.767 64.169 63.200 0.337 0.000 1.078 390 S HN 0.849 nan 8.310 nan 0.000 0.477 391 W N 6.598 128.016 121.300 0.197 0.000 1.864 391 W HA 0.376 5.020 4.660 -0.025 0.000 0.296 391 W C -0.033 176.598 176.519 0.185 0.000 0.794 391 W CA -1.475 55.977 57.345 0.178 0.000 2.180 391 W CB -0.331 29.204 29.460 0.125 0.000 2.332 391 W HN 0.795 nan 8.180 nan 0.000 0.417 392 E N 1.446 121.938 120.200 0.487 0.000 2.414 392 E HA 0.138 4.474 4.350 -0.023 0.000 0.263 392 E C -0.779 176.055 176.600 0.389 0.000 1.000 392 E CA 0.556 57.165 56.400 0.348 0.000 0.914 392 E CB 0.805 30.681 29.700 0.295 0.000 0.948 392 E HN 0.433 nan 8.360 nan 0.000 0.444 393 Q N 2.683 122.614 119.800 0.219 0.000 2.304 393 Q HA 0.358 4.684 4.340 -0.023 0.000 0.270 393 Q C -1.407 174.691 176.000 0.163 0.000 1.035 393 Q CA -1.028 54.874 55.803 0.165 0.000 0.781 393 Q CB 1.595 30.294 28.738 -0.066 0.000 1.261 393 Q HN 0.750 nan 8.270 nan 0.000 0.444 394 Y N -1.147 119.168 120.300 0.026 0.000 2.562 394 Y HA 0.877 5.414 4.550 -0.022 0.000 0.343 394 Y C -0.737 175.104 175.900 -0.098 0.000 1.025 394 Y CA -0.965 57.087 58.100 -0.080 0.000 1.082 394 Y CB 1.865 40.264 38.460 -0.101 0.000 1.264 394 Y HN 0.505 nan 8.280 nan 0.000 0.478 395 T N 1.130 115.621 114.554 -0.104 0.000 2.952 395 T HA 0.740 5.076 4.350 -0.023 0.000 0.305 395 T C -1.199 173.459 174.700 -0.070 0.000 1.064 395 T CA -1.095 60.915 62.100 -0.150 0.000 1.008 395 T CB 1.925 70.692 68.868 -0.167 0.000 1.078 395 T HN 1.177 nan 8.240 nan 0.000 0.459 396 R N 0.551 121.046 120.500 -0.008 0.000 2.651 396 R HA 0.748 5.075 4.340 -0.023 0.000 0.278 396 R C -1.665 174.668 176.300 0.055 0.000 1.010 396 R CA -0.781 55.371 56.100 0.086 0.000 0.896 396 R CB 1.820 32.263 30.300 0.238 0.000 1.211 396 R HN 0.622 nan 8.270 nan 0.000 0.456 397 T N 1.619 116.248 114.554 0.125 0.000 2.876 397 T HA 0.500 4.837 4.350 -0.023 0.000 0.289 397 T C -0.830 174.010 174.700 0.234 0.000 1.014 397 T CA -0.672 61.523 62.100 0.158 0.000 0.986 397 T CB 1.998 70.994 68.868 0.213 0.000 1.021 397 T HN 0.368 nan 8.240 nan 0.000 0.458 398 V N 3.781 123.842 119.914 0.244 0.000 2.588 398 V HA 0.796 4.903 4.120 -0.023 0.000 0.304 398 V C -0.983 175.290 176.094 0.299 0.000 1.042 398 V CA -0.972 61.450 62.300 0.204 0.000 0.877 398 V CB 1.105 33.038 31.823 0.183 0.000 0.996 398 V HN 0.911 nan 8.190 nan 0.000 0.425 399 F N 2.157 122.199 119.950 0.153 0.000 2.613 399 F HA 1.005 5.518 4.527 -0.024 0.000 0.310 399 F C -0.355 175.526 175.800 0.134 0.000 1.085 399 F CA -1.160 56.929 58.000 0.148 0.000 0.945 399 F CB 1.764 40.858 39.000 0.157 0.000 1.298 399 F HN 0.624 nan 8.300 nan 0.000 0.455 400 A N 2.340 125.369 122.820 0.347 0.000 2.435 400 A HA 0.855 5.161 4.320 -0.023 0.000 0.304 400 A C -1.595 176.164 177.584 0.292 0.000 1.064 400 A CA -0.908 51.279 52.037 0.251 0.000 0.727 400 A CB 1.427 20.504 19.000 0.129 0.000 1.284 400 A HN 0.970 nan 8.150 nan 0.000 0.415 401 N N -0.491 118.364 118.700 0.260 0.000 2.571 401 N HA 0.731 5.458 4.740 -0.023 0.000 0.273 401 N C -1.633 173.969 175.510 0.153 0.000 1.340 401 N CA -0.669 52.502 53.050 0.203 0.000 0.789 401 N CB 2.220 40.834 38.487 0.211 0.000 1.514 401 N HN 0.535 nan 8.380 nan 0.000 0.499 402 L N 0.224 121.518 121.223 0.118 0.000 2.493 402 L HA 0.514 4.840 4.340 -0.023 0.000 0.265 402 L C -1.545 175.375 176.870 0.084 0.000 0.954 402 L CA -0.213 54.685 54.840 0.097 0.000 0.844 402 L CB 1.999 44.103 42.059 0.074 0.000 1.302 402 L HN 0.728 nan 8.230 nan 0.000 0.405 403 E N 2.675 122.930 120.200 0.093 0.000 2.272 403 E HA 0.475 4.811 4.350 -0.023 0.000 0.269 403 E C -1.866 174.798 176.600 0.105 0.000 0.877 403 E CA -0.722 55.728 56.400 0.085 0.000 0.755 403 E CB 1.490 31.236 29.700 0.077 0.000 1.192 403 E HN 0.783 nan 8.360 nan 0.000 0.422 404 H N 2.690 121.750 119.070 -0.017 0.000 2.782 404 H HA 0.374 4.916 4.556 -0.023 0.000 0.347 404 H C -1.247 174.043 175.328 -0.063 0.000 1.038 404 H CA -0.792 55.190 56.048 -0.110 0.000 1.255 404 H CB 0.921 30.512 29.762 -0.286 0.000 1.623 404 H HN 0.342 nan 8.280 nan 0.000 0.525 405 N N 5.396 123.795 118.700 -0.502 0.000 2.415 405 N HA 0.093 4.820 4.740 -0.023 0.000 0.246 405 N C -0.771 174.574 175.510 -0.275 0.000 1.078 405 N CA 0.049 52.979 53.050 -0.200 0.000 0.942 405 N CB 0.170 38.578 38.487 -0.131 0.000 1.140 405 N HN 0.339 nan 8.380 nan 0.000 0.501 406 F N 0.616 120.656 119.950 0.149 0.000 2.450 406 F HA 0.169 4.683 4.527 -0.023 0.000 0.339 406 F C 1.832 177.726 175.800 0.157 0.000 1.146 406 F CA -0.588 57.542 58.000 0.216 0.000 1.267 406 F CB 0.618 39.758 39.000 0.233 0.000 1.178 406 F HN 0.479 nan 8.300 nan 0.000 0.585 407 A N 1.909 124.914 122.820 0.308 0.000 1.972 407 A HA -0.222 4.084 4.320 -0.023 0.000 0.219 407 A C 1.928 179.663 177.584 0.252 0.000 1.169 407 A CA 1.834 54.001 52.037 0.216 0.000 0.635 407 A CB -1.185 17.909 19.000 0.156 0.000 0.810 407 A HN 0.969 nan 8.150 nan 0.000 0.446 408 N N -1.076 117.801 118.700 0.296 0.000 2.228 408 N HA -0.269 4.457 4.740 -0.023 0.000 0.199 408 N C 1.211 176.981 175.510 0.432 0.000 0.985 408 N CA 1.333 54.587 53.050 0.340 0.000 0.909 408 N CB -0.207 38.472 38.487 0.320 0.000 1.020 408 N HN 0.788 nan 8.380 nan 0.000 0.472 409 G N -1.576 107.456 108.800 0.388 0.000 2.175 409 G HA2 -0.235 3.712 3.960 -0.023 0.000 0.244 409 G HA3 -0.235 3.712 3.960 -0.023 0.000 0.244 409 G C -0.362 174.722 174.900 0.307 0.000 0.982 409 G CA 0.074 45.365 45.100 0.319 0.000 0.641 409 G HN 0.244 nan 8.290 nan 0.000 0.527 410 W N -0.396 121.012 121.300 0.180 0.000 2.313 410 W HA 0.673 5.320 4.660 -0.023 0.000 0.328 410 W C 0.374 177.074 176.519 0.301 0.000 1.197 410 W CA -0.198 57.250 57.345 0.172 0.000 1.235 410 W CB 1.392 30.879 29.460 0.045 0.000 1.158 410 W HN 0.376 nan 8.180 nan 0.000 0.578 411 V N 2.826 123.001 119.914 0.435 0.000 2.823 411 V HA 0.961 5.067 4.120 -0.023 0.000 0.312 411 V C -0.309 176.012 176.094 0.379 0.000 1.072 411 V CA -0.679 61.855 62.300 0.390 0.000 0.937 411 V CB 1.571 33.517 31.823 0.205 0.000 1.013 411 V HN 0.611 nan 8.190 nan 0.000 0.430 412 G N 3.681 112.718 108.800 0.395 0.000 2.533 412 G HA2 0.726 4.673 3.960 -0.023 0.000 0.304 412 G HA3 0.726 4.673 3.960 -0.023 0.000 0.304 412 G C -1.516 173.385 174.900 0.000 0.000 1.263 412 G CA -0.797 44.430 45.100 0.210 0.000 0.964 412 G HN 0.877 nan 8.290 nan 0.000 0.479 413 K N 0.544 120.818 120.400 -0.211 0.000 2.575 413 K HA 0.455 4.761 4.320 -0.023 0.000 0.255 413 K C -1.705 174.815 176.600 -0.134 0.000 0.953 413 K CA -0.536 55.629 56.287 -0.203 0.000 0.840 413 K CB 2.482 34.743 32.500 -0.399 0.000 1.303 413 K HN 0.346 nan 8.250 nan 0.000 0.438 414 V N 4.167 124.083 119.914 0.005 0.000 2.398 414 V HA 0.367 4.473 4.120 -0.023 0.000 0.286 414 V C -0.640 175.519 176.094 0.108 0.000 1.026 414 V CA -0.596 61.742 62.300 0.064 0.000 0.868 414 V CB 1.584 33.449 31.823 0.070 0.000 0.982 414 V HN 0.727 nan 8.190 nan 0.000 0.443 415 Q N 4.699 124.585 119.800 0.144 0.000 2.341 415 Q HA 0.615 4.941 4.340 -0.023 0.000 0.268 415 Q C -1.271 174.838 176.000 0.181 0.000 1.013 415 Q CA -0.391 55.517 55.803 0.174 0.000 0.798 415 Q CB 2.582 31.429 28.738 0.183 0.000 1.253 415 Q HN 0.615 nan 8.270 nan 0.000 0.457 416 L N 2.469 123.811 121.223 0.198 0.000 2.317 416 L HA 0.531 4.857 4.340 -0.023 0.000 0.281 416 L C -0.940 176.081 176.870 0.251 0.000 1.024 416 L CA -0.431 54.528 54.840 0.198 0.000 0.810 416 L CB 1.573 43.731 42.059 0.165 0.000 1.240 416 L HN 0.578 nan 8.230 nan 0.000 0.427 417 D N -0.228 120.318 120.400 0.244 0.000 2.934 417 D HA 0.323 4.949 4.640 -0.023 0.000 0.230 417 D C -1.395 175.082 176.300 0.294 0.000 1.204 417 D CA -0.417 53.749 54.000 0.278 0.000 0.873 417 D CB 1.609 42.545 40.800 0.227 0.000 1.645 417 D HN 0.321 nan 8.370 nan 0.000 0.502 418 H N 1.589 120.765 119.070 0.178 0.000 2.587 418 H HA 0.504 5.046 4.556 -0.023 0.000 0.325 418 H C -1.227 174.189 175.328 0.145 0.000 1.012 418 H CA -0.504 55.632 56.048 0.148 0.000 1.213 418 H CB 0.785 30.622 29.762 0.126 0.000 1.431 418 H HN 0.153 nan 8.280 nan 0.000 0.492 419 K N 5.398 125.757 120.400 -0.068 0.000 2.318 419 K HA 0.533 4.840 4.320 -0.023 0.000 0.249 419 K C -1.252 175.237 176.600 -0.186 0.000 0.942 419 K CA -0.842 55.373 56.287 -0.120 0.000 0.808 419 K CB 1.414 33.894 32.500 -0.033 0.000 1.189 419 K HN 0.625 nan 8.250 nan 0.000 0.428 420 I N 2.605 123.080 120.570 -0.158 0.000 2.465 420 I HA 0.281 4.437 4.170 -0.023 0.000 0.291 420 I C -1.167 174.844 176.117 -0.177 0.000 1.014 420 I CA -1.049 60.173 61.300 -0.129 0.000 1.093 420 I CB 2.016 39.974 38.000 -0.070 0.000 1.267 420 I HN 0.530 nan 8.210 nan 0.000 0.431 421 N N 4.053 122.636 118.700 -0.195 0.000 2.524 421 N HA 0.582 5.308 4.740 -0.023 0.000 0.261 421 N C -0.388 174.913 175.510 -0.349 0.000 0.998 421 N CA -0.329 52.565 53.050 -0.260 0.000 0.915 421 N CB 2.094 40.502 38.487 -0.132 0.000 1.187 421 N HN 0.780 nan 8.380 nan 0.000 0.507 422 G N 0.706 109.000 108.800 -0.845 0.000 2.511 422 G HA2 0.689 4.635 3.960 -0.023 0.000 0.318 422 G HA3 0.689 4.635 3.960 -0.023 0.000 0.318 422 G C -1.544 173.171 174.900 -0.309 0.000 1.210 422 G CA -0.563 43.961 45.100 -0.961 0.000 0.969 422 G HN 0.452 nan 8.290 nan 0.000 0.484 423 Y N -1.644 118.702 120.300 0.076 0.000 2.592 423 Y HA 0.727 5.264 4.550 -0.022 0.000 0.334 423 Y C -1.332 174.795 175.900 0.378 0.000 1.136 423 Y CA -1.531 56.742 58.100 0.287 0.000 1.042 423 Y CB 1.664 40.296 38.460 0.287 0.000 1.325 423 Y HN 0.744 nan 8.280 nan 0.000 0.457 424 H N 2.071 121.383 119.070 0.404 0.000 3.108 424 H HA 0.778 5.310 4.556 -0.040 0.000 0.301 424 H C -1.680 173.815 175.328 0.279 0.000 1.139 424 H CA -0.307 55.888 56.048 0.244 0.000 1.552 424 H CB 1.006 30.875 29.762 0.178 0.000 1.663 424 H HN 1.065 nan 8.280 nan 0.000 0.517 425 A N 6.127 128.979 122.820 0.053 0.000 2.938 425 A HA 0.346 4.652 4.320 -0.023 0.000 0.344 425 A C -2.819 174.706 177.584 -0.099 0.000 1.142 425 A CA -1.533 50.542 52.037 0.062 0.000 0.841 425 A CB 0.173 19.137 19.000 -0.060 0.000 1.083 425 A HN 0.473 nan 8.150 nan 0.000 0.479 426 P HA 0.277 nan 4.420 nan 0.000 0.273 426 P C -0.626 176.910 177.300 0.394 0.000 1.428 426 P CA 0.281 63.335 63.100 -0.075 0.000 0.995 426 P CB 0.437 32.158 31.700 0.035 0.000 1.286 427 L N 3.054 124.502 121.223 0.376 0.000 2.307 427 L HA 0.765 5.092 4.340 -0.023 0.000 0.282 427 L C 1.024 178.244 176.870 0.584 0.000 1.051 427 L CA -0.355 54.762 54.840 0.462 0.000 0.804 427 L CB 1.644 43.965 42.059 0.436 0.000 1.197 427 L HN 0.339 nan 8.230 nan 0.000 0.431 428 G N 1.779 110.724 108.800 0.240 0.000 2.732 428 G HA2 0.774 4.720 3.960 -0.023 0.000 0.295 428 G HA3 0.774 4.720 3.960 -0.023 0.000 0.295 428 G C -1.579 173.330 174.900 0.015 0.000 1.456 428 G CA -0.304 44.844 45.100 0.080 0.000 1.050 428 G HN 0.812 nan 8.290 nan 0.000 0.525 429 A N 2.178 125.056 122.820 0.097 0.000 2.594 429 A HA 0.686 4.993 4.320 -0.023 0.000 0.296 429 A C -0.602 176.974 177.584 -0.012 0.000 1.061 429 A CA -0.695 51.409 52.037 0.111 0.000 0.689 429 A CB 0.889 20.008 19.000 0.198 0.000 1.280 429 A HN 0.770 nan 8.150 nan 0.000 0.406 430 I N 1.848 122.348 120.570 -0.116 0.000 2.618 430 I HA 0.320 4.477 4.170 -0.023 0.000 0.284 430 I C 0.265 176.406 176.117 0.040 0.000 1.146 430 I CA 0.771 61.963 61.300 -0.180 0.000 1.425 430 I CB 0.686 38.477 38.000 -0.349 0.000 1.383 430 I HN 0.796 nan 8.210 nan 0.000 0.562 431 M N 6.211 125.880 119.600 0.114 0.000 2.365 431 M HA 0.656 5.123 4.480 -0.023 0.000 0.287 431 M C -0.615 175.863 176.300 0.297 0.000 1.154 431 M CA -0.014 55.358 55.300 0.120 0.000 0.941 431 M CB 2.169 34.702 32.600 -0.111 0.000 1.704 431 M HN 0.746 nan 8.290 nan 0.000 0.479 432 G N 2.195 111.041 108.800 0.077 0.000 2.384 432 G HA2 -0.023 3.923 3.960 -0.023 0.000 0.668 432 G HA3 -0.023 3.923 3.960 -0.023 0.000 0.668 432 G C -1.950 172.612 174.900 -0.564 0.000 1.280 432 G CA -0.629 44.327 45.100 -0.241 0.000 0.992 432 G HN 0.769 nan 8.290 nan 0.000 0.512 433 D N 0.837 120.721 120.400 -0.861 0.000 2.435 433 D HA 0.413 5.039 4.640 -0.023 0.000 0.230 433 D C -0.384 175.359 176.300 -0.929 0.000 1.215 433 D CA 0.726 54.336 54.000 -0.651 0.000 0.947 433 D CB -0.120 40.411 40.800 -0.449 0.000 1.048 433 D HN 0.397 nan 8.370 nan 0.000 0.512 434 W N 1.673 122.867 121.300 -0.176 0.000 2.962 434 W HA 0.309 4.957 4.660 -0.021 0.000 0.341 434 W C -2.098 174.022 176.519 -0.664 0.000 1.155 434 W CA -2.228 54.924 57.345 -0.322 0.000 1.165 434 W CB 1.134 30.442 29.460 -0.254 0.000 1.435 434 W HN 0.012 nan 8.180 nan 0.000 0.546 435 P HA 0.205 nan 4.420 nan 0.000 0.272 435 P C -0.496 176.833 177.300 0.049 0.000 1.240 435 P CA 0.015 62.977 63.100 -0.231 0.000 0.791 435 P CB 0.647 32.160 31.700 -0.312 0.000 0.978 436 A N 2.467 125.408 122.820 0.201 0.000 2.257 436 A HA 0.438 4.744 4.320 -0.023 0.000 0.289 436 A C -1.481 176.144 177.584 0.069 0.000 1.095 436 A CA -1.522 50.607 52.037 0.154 0.000 0.836 436 A CB -0.965 18.173 19.000 0.230 0.000 1.111 436 A HN 0.318 nan 8.150 nan 0.000 0.497 437 P HA -0.154 nan 4.420 nan 0.000 0.220 437 P C 0.206 177.532 177.300 0.044 0.000 1.144 437 P CA 1.783 64.904 63.100 0.034 0.000 0.800 437 P CB 0.042 31.758 31.700 0.026 0.000 0.772 438 D N -2.787 117.644 120.400 0.051 0.000 2.342 438 D HA 0.012 4.638 4.640 -0.023 0.000 0.221 438 D C 0.507 176.846 176.300 0.065 0.000 1.101 438 D CA -0.524 53.506 54.000 0.050 0.000 0.837 438 D CB -1.335 39.488 40.800 0.038 0.000 0.938 438 D HN 0.098 nan 8.370 nan 0.000 0.508 439 N N -0.612 118.136 118.700 0.080 0.000 2.979 439 N HA -0.200 4.527 4.740 -0.023 0.000 0.234 439 N C -0.642 174.942 175.510 0.124 0.000 0.938 439 N CA 0.648 53.774 53.050 0.126 0.000 0.961 439 N CB -1.171 37.401 38.487 0.141 0.000 1.089 439 N HN 0.409 nan 8.380 nan 0.000 0.576 440 S N -0.150 115.581 115.700 0.052 0.000 2.645 440 S HA 0.840 5.296 4.470 -0.023 0.000 0.266 440 S C 0.235 174.744 174.600 -0.152 0.000 1.258 440 S CA 0.132 58.311 58.200 -0.036 0.000 0.990 440 S CB 2.492 65.639 63.200 -0.089 0.000 0.967 440 S HN 0.561 nan 8.310 nan 0.000 0.556 441 A N 0.619 123.204 122.820 -0.391 0.000 2.557 441 A HA 0.787 5.093 4.320 -0.023 0.000 0.292 441 A C -1.432 175.479 177.584 -1.122 0.000 1.139 441 A CA -1.086 50.377 52.037 -0.957 0.000 0.665 441 A CB 1.154 19.887 19.000 -0.445 0.000 1.285 441 A HN 0.768 nan 8.150 nan 0.000 0.433 442 K N 0.472 119.919 120.400 -1.587 0.000 2.378 442 K HA 0.592 4.898 4.320 -0.023 0.000 0.252 442 K C -1.368 174.994 176.600 -0.397 0.000 0.931 442 K CA -0.753 55.057 56.287 -0.795 0.000 0.794 442 K CB 1.877 34.020 32.500 -0.594 0.000 1.181 442 K HN 0.463 nan 8.250 nan 0.000 0.425 443 I N 2.690 123.132 120.570 -0.215 0.000 2.385 443 I HA 0.246 4.403 4.170 -0.023 0.000 0.294 443 I C 0.163 176.283 176.117 0.005 0.000 0.988 443 I CA -1.005 60.253 61.300 -0.071 0.000 1.265 443 I CB 1.277 39.327 38.000 0.083 0.000 1.388 443 I HN 0.260 nan 8.210 nan 0.000 0.480 444 V N 5.320 125.195 119.914 -0.065 0.000 2.439 444 V HA 0.734 4.840 4.120 -0.023 0.000 0.282 444 V C 0.381 176.460 176.094 -0.025 0.000 1.039 444 V CA -0.518 61.698 62.300 -0.139 0.000 0.913 444 V CB 1.320 32.858 31.823 -0.476 0.000 0.983 444 V HN 0.917 nan 8.190 nan 0.000 0.460 445 A N 5.192 128.088 122.820 0.126 0.000 2.374 445 A HA 0.865 5.171 4.320 -0.023 0.000 0.305 445 A C -0.786 177.055 177.584 0.429 0.000 1.053 445 A CA -0.610 51.643 52.037 0.360 0.000 0.726 445 A CB 1.549 20.790 19.000 0.400 0.000 1.229 445 A HN 0.790 nan 8.150 nan 0.000 0.431 446 Q N 0.595 120.718 119.800 0.538 0.000 2.377 446 Q HA 0.470 4.796 4.340 -0.023 0.000 0.279 446 Q C -1.293 174.612 176.000 -0.158 0.000 1.049 446 Q CA -0.720 55.263 55.803 0.300 0.000 0.825 446 Q CB 3.097 32.062 28.738 0.377 0.000 1.401 446 Q HN 0.673 nan 8.270 nan 0.000 0.404 447 K N 1.795 121.796 120.400 -0.664 0.000 2.323 447 K HA 0.520 4.826 4.320 -0.023 0.000 0.259 447 K C -1.832 174.279 176.600 -0.816 0.000 0.947 447 K CA -0.403 55.327 56.287 -0.929 0.000 0.819 447 K CB 0.934 32.514 32.500 -1.534 0.000 1.109 447 K HN 0.494 nan 8.250 nan 0.000 0.429 448 Y N 1.480 121.704 120.300 -0.127 0.000 2.338 448 Y HA 0.259 4.799 4.550 -0.017 0.000 0.333 448 Y C 0.237 176.184 175.900 0.078 0.000 0.968 448 Y CA -0.858 57.254 58.100 0.021 0.000 1.123 448 Y CB 2.135 40.636 38.460 0.068 0.000 1.165 448 Y HN 0.545 nan 8.280 nan 0.000 0.452 449 T N -0.036 114.582 114.554 0.106 0.000 2.912 449 T HA 0.983 5.319 4.350 -0.023 0.000 0.288 449 T C -0.044 174.441 174.700 -0.358 0.000 1.030 449 T CA -0.459 61.576 62.100 -0.108 0.000 1.020 449 T CB 1.996 70.818 68.868 -0.077 0.000 1.056 449 T HN 1.081 nan 8.240 nan 0.000 0.480 450 G N 0.476 108.761 108.800 -0.858 0.000 2.349 450 G HA2 0.523 4.469 3.960 -0.023 0.000 0.294 450 G HA3 0.523 4.469 3.960 -0.023 0.000 0.294 450 G C -2.106 172.497 174.900 -0.495 0.000 1.380 450 G CA -0.789 43.942 45.100 -0.614 0.000 0.811 450 G HN 0.903 nan 8.290 nan 0.000 0.519 451 E N -1.009 119.144 120.200 -0.079 0.000 2.352 451 E HA 0.603 4.939 4.350 -0.023 0.000 0.280 451 E C -1.406 175.268 176.600 0.123 0.000 0.930 451 E CA -0.582 55.815 56.400 -0.004 0.000 0.765 451 E CB 2.286 31.998 29.700 0.019 0.000 1.219 451 E HN 0.407 nan 8.360 nan 0.000 0.434 452 T N 3.365 117.959 114.554 0.067 0.000 2.792 452 T HA 0.406 4.743 4.350 -0.023 0.000 0.280 452 T C -0.760 173.989 174.700 0.082 0.000 0.990 452 T CA -0.712 61.448 62.100 0.100 0.000 0.960 452 T CB 1.046 69.945 68.868 0.053 0.000 0.939 452 T HN 0.219 nan 8.240 nan 0.000 0.439 453 K N 1.970 122.454 120.400 0.140 0.000 2.206 453 K HA 0.668 4.974 4.320 -0.023 0.000 0.264 453 K C -0.576 176.155 176.600 0.218 0.000 0.967 453 K CA -0.654 55.719 56.287 0.144 0.000 0.844 453 K CB 1.611 34.233 32.500 0.202 0.000 1.099 453 K HN 0.399 nan 8.250 nan 0.000 0.441 454 S N 1.926 117.731 115.700 0.175 0.000 2.561 454 S HA 0.328 4.784 4.470 -0.023 0.000 0.303 454 S C -1.033 173.727 174.600 0.267 0.000 1.110 454 S CA -0.885 57.448 58.200 0.221 0.000 1.034 454 S CB 0.866 64.162 63.200 0.160 0.000 1.010 454 S HN 0.544 nan 8.310 nan 0.000 0.482 455 N N 1.121 120.007 118.700 0.310 0.000 2.372 455 N HA 0.510 5.236 4.740 -0.023 0.000 0.291 455 N C -1.186 174.505 175.510 0.301 0.000 1.024 455 N CA -0.429 52.807 53.050 0.310 0.000 0.873 455 N CB 1.558 40.211 38.487 0.277 0.000 1.206 455 N HN 0.325 nan 8.380 nan 0.000 0.486 456 S N 1.705 117.554 115.700 0.248 0.000 2.482 456 S HA 0.498 4.954 4.470 -0.023 0.000 0.303 456 S C -1.267 173.458 174.600 0.208 0.000 1.091 456 S CA -0.567 57.763 58.200 0.215 0.000 1.057 456 S CB 1.263 64.569 63.200 0.178 0.000 1.031 456 S HN 0.327 nan 8.310 nan 0.000 0.485 457 L N 3.143 124.486 121.223 0.200 0.000 2.356 457 L HA 0.619 4.946 4.340 -0.023 0.000 0.277 457 L C -1.206 175.765 176.870 0.168 0.000 0.996 457 L CA -0.137 54.811 54.840 0.178 0.000 0.822 457 L CB 1.455 43.621 42.059 0.178 0.000 1.256 457 L HN 0.565 nan 8.230 nan 0.000 0.413 458 D N 4.693 125.197 120.400 0.173 0.000 2.629 458 D HA 0.468 5.094 4.640 -0.023 0.000 0.250 458 D C -1.318 175.099 176.300 0.195 0.000 1.126 458 D CA -0.198 53.922 54.000 0.199 0.000 0.852 458 D CB 2.259 43.199 40.800 0.233 0.000 1.335 458 D HN 0.552 nan 8.370 nan 0.000 0.518 459 I N 3.126 123.803 120.570 0.179 0.000 2.533 459 I HA 0.583 4.739 4.170 -0.023 0.000 0.290 459 I C -1.956 174.263 176.117 0.171 0.000 1.056 459 I CA -0.540 60.840 61.300 0.134 0.000 1.057 459 I CB 1.534 39.581 38.000 0.079 0.000 1.240 459 I HN 0.248 nan 8.210 nan 0.000 0.423 460 Y N 5.123 125.468 120.300 0.074 0.000 2.588 460 Y HA 0.844 5.380 4.550 -0.023 0.000 0.343 460 Y C -2.214 173.755 175.900 0.114 0.000 1.065 460 Y CA -1.596 56.536 58.100 0.053 0.000 1.038 460 Y CB 1.427 39.947 38.460 0.100 0.000 1.297 460 Y HN 0.657 nan 8.280 nan 0.000 0.467 461 L N 2.711 124.111 121.223 0.295 0.000 2.409 461 L HA 0.680 5.006 4.340 -0.023 0.000 0.272 461 L C -0.729 176.366 176.870 0.374 0.000 0.980 461 L CA -0.536 54.488 54.840 0.307 0.000 0.826 461 L CB 2.503 44.724 42.059 0.269 0.000 1.268 461 L HN 0.981 nan 8.230 nan 0.000 0.407 462 T N 1.949 116.670 114.554 0.278 0.000 2.912 462 T HA 0.888 5.224 4.350 -0.023 0.000 0.299 462 T C -0.702 173.622 174.700 -0.625 0.000 1.052 462 T CA -0.276 61.779 62.100 -0.075 0.000 0.996 462 T CB 1.769 70.697 68.868 0.100 0.000 1.070 462 T HN 0.838 nan 8.240 nan 0.000 0.465 463 G N 3.676 111.685 108.800 -1.318 0.000 2.489 463 G HA2 0.578 4.525 3.960 -0.023 0.000 0.291 463 G HA3 0.578 4.525 3.960 -0.023 0.000 0.291 463 G C -3.491 170.749 174.900 -1.100 0.000 1.487 463 G CA -0.884 43.016 45.100 -2.000 0.000 0.795 463 G HN 0.569 nan 8.290 nan 0.000 0.513 464 P HA 0.668 nan 4.420 nan 0.000 0.281 464 P C -1.148 176.338 177.300 0.309 0.000 1.249 464 P CA -0.337 62.703 63.100 -0.099 0.000 0.810 464 P CB 1.089 32.741 31.700 -0.080 0.000 1.008 465 F N -2.065 117.924 119.950 0.066 0.000 2.693 465 F HA 0.475 4.988 4.527 -0.023 0.000 0.309 465 F C -1.372 174.519 175.800 0.152 0.000 1.129 465 F CA -1.200 56.907 58.000 0.178 0.000 0.948 465 F CB 1.082 40.236 39.000 0.256 0.000 1.315 465 F HN 0.140 nan 8.300 nan 0.000 0.447 466 Q N 1.903 121.838 119.800 0.224 0.000 2.271 466 Q HA 0.344 4.671 4.340 -0.023 0.000 0.258 466 Q C -1.046 175.210 176.000 0.426 0.000 0.936 466 Q CA -0.563 55.317 55.803 0.128 0.000 0.909 466 Q CB 2.244 31.072 28.738 0.150 0.000 1.253 466 Q HN 0.821 nan 8.270 nan 0.000 0.440 467 F N 2.469 122.570 119.950 0.252 0.000 2.444 467 F HA 0.283 4.796 4.527 -0.023 0.000 0.263 467 F C 0.167 176.095 175.800 0.213 0.000 0.912 467 F CA 0.077 58.279 58.000 0.336 0.000 1.122 467 F CB 0.490 39.732 39.000 0.403 0.000 1.246 467 F HN 0.395 nan 8.300 nan 0.000 0.752 468 L N 1.049 122.268 121.223 -0.006 0.000 2.843 468 L HA 0.375 4.701 4.340 -0.023 0.000 0.234 468 L C 0.805 177.633 176.870 -0.070 0.000 1.264 468 L CA 0.078 54.785 54.840 -0.220 0.000 1.052 468 L CB 0.373 42.198 42.059 -0.390 0.000 1.372 468 L HN 0.592 nan 8.230 nan 0.000 0.466 469 G N 0.980 109.764 108.800 -0.027 0.000 2.233 469 G HA2 -0.300 3.646 3.960 -0.023 0.000 0.270 469 G HA3 -0.300 3.646 3.960 -0.023 0.000 0.270 469 G C 0.328 175.205 174.900 -0.039 0.000 1.011 469 G CA 0.532 45.620 45.100 -0.020 0.000 0.762 469 G HN 0.528 nan 8.290 nan 0.000 0.511 470 R N -1.038 119.426 120.500 -0.059 0.000 2.836 470 R HA 0.697 5.023 4.340 -0.023 0.000 0.269 470 R C -0.975 174.981 176.300 -0.573 0.000 1.010 470 R CA -1.151 54.833 56.100 -0.193 0.000 0.930 470 R CB 1.267 31.514 30.300 -0.089 0.000 1.218 470 R HN 0.071 nan 8.270 nan 0.000 0.473 471 E N 2.013 121.846 120.200 -0.613 0.000 2.216 471 E HA 0.322 4.659 4.350 -0.023 0.000 0.279 471 E C -0.528 175.505 176.600 -0.944 0.000 0.997 471 E CA -0.324 55.667 56.400 -0.681 0.000 0.817 471 E CB 1.300 30.808 29.700 -0.321 0.000 1.096 471 E HN 0.487 nan 8.360 nan 0.000 0.393 472 H N 0.217 119.001 119.070 -0.476 0.000 2.931 472 H HA 0.441 4.983 4.556 -0.023 0.000 0.331 472 H C -0.105 174.946 175.328 -0.461 0.000 1.273 472 H CA -0.790 54.914 56.048 -0.574 0.000 1.171 472 H CB 1.658 30.870 29.762 -0.916 0.000 1.898 472 H HN 0.498 nan 8.280 nan 0.000 0.562 473 E N 0.640 120.734 120.200 -0.176 0.000 2.392 473 E HA 0.592 4.928 4.350 -0.023 0.000 0.269 473 E C -1.461 175.167 176.600 0.047 0.000 0.924 473 E CA -1.081 55.280 56.400 -0.065 0.000 0.784 473 E CB 2.750 32.341 29.700 -0.182 0.000 1.292 473 E HN 0.140 nan 8.360 nan 0.000 0.447 474 L N 1.062 122.265 121.223 -0.033 0.000 2.371 474 L HA 0.560 4.887 4.340 -0.023 0.000 0.262 474 L C -1.498 175.312 176.870 -0.101 0.000 1.006 474 L CA -0.913 53.892 54.840 -0.058 0.000 0.818 474 L CB 2.346 44.374 42.059 -0.052 0.000 1.354 474 L HN 0.618 nan 8.230 nan 0.000 0.415 475 V N 2.377 122.286 119.914 -0.009 0.000 2.588 475 V HA 0.760 4.866 4.120 -0.023 0.000 0.304 475 V C -0.872 175.271 176.094 0.082 0.000 1.042 475 V CA -0.893 61.445 62.300 0.063 0.000 0.877 475 V CB 1.633 33.508 31.823 0.088 0.000 0.996 475 V HN 0.521 nan 8.190 nan 0.000 0.425 476 V N 3.144 123.107 119.914 0.081 0.000 2.577 476 V HA 1.002 5.108 4.120 -0.023 0.000 0.303 476 V C 0.154 176.151 176.094 -0.160 0.000 1.042 476 V CA 0.569 62.844 62.300 -0.041 0.000 0.872 476 V CB 1.633 33.458 31.823 0.003 0.000 0.998 476 V HN 1.288 nan 8.190 nan 0.000 0.423 477 G N 2.862 111.286 108.800 -0.627 0.000 2.690 477 G HA2 0.654 4.600 3.960 -0.023 0.000 0.293 477 G HA3 0.654 4.600 3.960 -0.023 0.000 0.293 477 G C -1.211 173.226 174.900 -0.773 0.000 1.399 477 G CA -0.386 44.265 45.100 -0.747 0.000 0.890 477 G HN 0.799 nan 8.290 nan 0.000 0.485 478 T N -0.899 113.485 114.554 -0.284 0.000 2.909 478 T HA 0.753 5.089 4.350 -0.023 0.000 0.299 478 T C -0.471 174.267 174.700 0.063 0.000 1.073 478 T CA -0.047 61.998 62.100 -0.092 0.000 0.999 478 T CB 1.524 70.370 68.868 -0.038 0.000 1.098 478 T HN 1.527 nan 8.240 nan 0.000 0.477 479 S N 1.891 117.661 115.700 0.117 0.000 2.564 479 S HA 0.913 5.369 4.470 -0.023 0.000 0.274 479 S C -1.308 173.344 174.600 0.086 0.000 1.124 479 S CA -0.605 57.679 58.200 0.139 0.000 0.869 479 S CB 1.775 65.090 63.200 0.191 0.000 1.105 479 S HN 1.238 nan 8.310 nan 0.000 0.472 480 A N 1.545 124.413 122.820 0.080 0.000 2.459 480 A HA 0.839 5.146 4.320 -0.023 0.000 0.296 480 A C -0.459 177.117 177.584 -0.013 0.000 1.039 480 A CA -0.454 51.581 52.037 -0.004 0.000 0.698 480 A CB 1.369 20.431 19.000 0.104 0.000 1.261 480 A HN 1.900 nan 8.150 nan 0.000 0.405 481 S N 0.715 116.290 115.700 -0.208 0.000 2.541 481 S HA 0.884 5.340 4.470 -0.023 0.000 0.280 481 S C -1.148 173.225 174.600 -0.379 0.000 1.112 481 S CA -0.579 57.553 58.200 -0.113 0.000 0.925 481 S CB 1.029 64.235 63.200 0.011 0.000 1.067 481 S HN 0.544 nan 8.310 nan 0.000 0.479 482 F N 1.605 121.598 119.950 0.071 0.000 2.507 482 F HA 0.692 5.205 4.527 -0.024 0.000 0.328 482 F C 0.375 176.247 175.800 0.121 0.000 1.136 482 F CA -0.381 57.662 58.000 0.072 0.000 0.930 482 F CB 2.364 41.406 39.000 0.071 0.000 1.166 482 F HN 0.806 nan 8.300 nan 0.000 0.436 483 S N 1.344 117.214 115.700 0.282 0.000 2.541 483 S HA 0.534 4.991 4.470 -0.023 0.000 0.280 483 S C -1.561 173.305 174.600 0.443 0.000 1.112 483 S CA -0.751 57.656 58.200 0.344 0.000 0.925 483 S CB 1.701 65.094 63.200 0.320 0.000 1.067 483 S HN 0.834 nan 8.310 nan 0.000 0.479 484 H N 1.231 120.483 119.070 0.303 0.000 2.727 484 H HA 0.445 4.988 4.556 -0.021 0.000 0.330 484 H C -1.839 173.637 175.328 0.246 0.000 0.986 484 H CA -0.632 55.570 56.048 0.257 0.000 1.251 484 H CB 0.786 30.662 29.762 0.190 0.000 1.493 484 H HN 0.761 nan 8.280 nan 0.000 0.515 485 W N 6.529 127.907 121.300 0.131 0.000 2.429 485 W HA 0.363 5.008 4.660 -0.026 0.000 0.314 485 W C -1.344 175.118 176.519 -0.095 0.000 1.062 485 W CA -0.768 56.492 57.345 -0.142 0.000 1.211 485 W CB 0.826 29.995 29.460 -0.484 0.000 1.305 485 W HN 0.628 nan 8.180 nan 0.000 0.476 486 E N 3.196 123.355 120.200 -0.068 0.000 2.312 486 E HA 0.779 5.115 4.350 -0.023 0.000 0.267 486 E C -0.376 176.084 176.600 -0.233 0.000 0.894 486 E CA -1.029 55.212 56.400 -0.266 0.000 0.773 486 E CB 2.339 31.893 29.700 -0.244 0.000 1.241 486 E HN 0.618 nan 8.360 nan 0.000 0.432 487 G N 1.280 109.921 108.800 -0.265 0.000 2.489 487 G HA2 0.387 4.333 3.960 -0.023 0.000 0.291 487 G HA3 0.387 4.333 3.960 -0.023 0.000 0.291 487 G C -1.609 173.146 174.900 -0.241 0.000 1.487 487 G CA -0.809 44.178 45.100 -0.189 0.000 0.795 487 G HN 0.243 nan 8.290 nan 0.000 0.513 488 K N 0.275 120.514 120.400 -0.269 0.000 2.316 488 K HA 0.731 5.037 4.320 -0.023 0.000 0.251 488 K C -0.772 175.586 176.600 -0.404 0.000 0.934 488 K CA -0.711 55.253 56.287 -0.539 0.000 0.802 488 K CB 2.295 34.423 32.500 -0.620 0.000 1.171 488 K HN 0.404 nan 8.250 nan 0.000 0.426 489 S N 1.414 116.767 115.700 -0.578 0.000 2.532 489 S HA 0.501 4.958 4.470 -0.023 0.000 0.301 489 S C -1.328 172.702 174.600 -0.950 0.000 1.083 489 S CA -0.730 57.192 58.200 -0.464 0.000 1.025 489 S CB 0.566 63.775 63.200 0.014 0.000 1.056 489 S HN 0.386 nan 8.310 nan 0.000 0.494 490 Y N 1.581 121.555 120.300 -0.544 0.000 2.332 490 Y HA 0.393 4.947 4.550 0.008 0.000 0.326 490 Y C 0.074 175.860 175.900 -0.190 0.000 0.978 490 Y CA -0.987 56.858 58.100 -0.425 0.000 1.205 490 Y CB 0.867 39.134 38.460 -0.322 0.000 1.131 490 Y HN 0.980 nan 8.280 nan 0.000 0.462 491 W N -0.001 121.321 121.300 0.036 0.000 2.355 491 W HA 0.375 5.024 4.660 -0.019 0.000 0.303 491 W C -0.783 175.788 176.519 0.087 0.000 0.939 491 W CA -0.468 56.917 57.345 0.067 0.000 1.377 491 W CB 0.024 29.510 29.460 0.043 0.000 1.048 491 W HN 0.137 nan 8.180 nan 0.000 0.542 492 N N 3.118 121.907 118.700 0.148 0.000 2.968 492 N HA 0.200 4.926 4.740 -0.023 0.000 0.271 492 N C -0.328 175.254 175.510 0.119 0.000 1.174 492 N CA 0.130 53.279 53.050 0.164 0.000 1.096 492 N CB 0.086 38.612 38.487 0.065 0.000 1.403 492 N HN 0.149 nan 8.380 nan 0.000 0.522 493 L N 1.232 122.528 121.223 0.121 0.000 2.453 493 L HA 0.234 4.560 4.340 -0.023 0.000 0.272 493 L C 0.871 177.749 176.870 0.014 0.000 1.182 493 L CA -0.195 54.655 54.840 0.016 0.000 0.858 493 L CB 0.410 42.436 42.059 -0.055 0.000 1.120 493 L HN 0.010 nan 8.230 nan 0.000 0.474 494 R N 2.427 122.906 120.500 -0.035 0.000 2.295 494 R HA 0.225 4.551 4.340 -0.023 0.000 0.324 494 R C -0.099 176.195 176.300 -0.010 0.000 0.968 494 R CA -0.925 55.167 56.100 -0.012 0.000 0.837 494 R CB 0.735 31.019 30.300 -0.027 0.000 1.133 494 R HN 0.597 nan 8.270 nan 0.000 0.450 495 N N 0.932 119.646 118.700 0.023 0.000 2.727 495 N HA -0.294 4.432 4.740 -0.023 0.000 0.249 495 N C -1.137 174.425 175.510 0.086 0.000 1.048 495 N CA 0.728 53.798 53.050 0.033 0.000 0.714 495 N CB -1.185 37.305 38.487 0.005 0.000 0.959 495 N HN 0.493 nan 8.380 nan 0.000 0.544 496 Y N 1.038 121.293 120.300 -0.074 0.000 2.304 496 Y HA 0.344 4.884 4.550 -0.016 0.000 0.328 496 Y C 0.128 175.996 175.900 -0.054 0.000 1.123 496 Y CA -1.498 56.552 58.100 -0.085 0.000 1.218 496 Y CB 0.852 39.253 38.460 -0.098 0.000 1.207 496 Y HN 0.072 nan 8.280 nan 0.000 0.495 497 D N 4.656 124.781 120.400 -0.457 0.000 2.456 497 D HA 0.059 4.685 4.640 -0.023 0.000 0.219 497 D C 0.144 175.974 176.300 -0.783 0.000 1.126 497 D CA -0.342 53.378 54.000 -0.468 0.000 0.890 497 D CB -0.058 40.578 40.800 -0.273 0.000 1.025 497 D HN 0.638 nan 8.370 nan 0.000 0.511 498 N N 2.003 120.331 118.700 -0.620 0.000 2.421 498 N HA -0.060 4.666 4.740 -0.023 0.000 0.201 498 N C -0.058 175.263 175.510 -0.315 0.000 1.198 498 N CA -0.242 52.511 53.050 -0.497 0.000 0.838 498 N CB -0.176 38.218 38.487 -0.154 0.000 1.011 498 N HN 0.301 nan 8.380 nan 0.000 0.463 499 T N -2.384 111.993 114.554 -0.296 0.000 2.795 499 T HA 0.326 4.662 4.350 -0.023 0.000 0.282 499 T C -0.418 174.185 174.700 -0.161 0.000 0.980 499 T CA -0.585 61.361 62.100 -0.258 0.000 1.012 499 T CB 1.746 70.471 68.868 -0.238 0.000 0.936 499 T HN 0.046 nan 8.240 nan 0.000 0.457 500 T N 2.189 116.661 114.554 -0.137 0.000 2.824 500 T HA 0.333 4.669 4.350 -0.023 0.000 0.280 500 T C 0.799 175.499 174.700 0.000 0.000 0.995 500 T CA -0.717 61.393 62.100 0.015 0.000 1.009 500 T CB 0.794 69.758 68.868 0.160 0.000 0.955 500 T HN 0.800 nan 8.240 nan 0.000 0.452 501 D N 2.557 122.984 120.400 0.045 0.000 2.339 501 D HA 0.096 4.722 4.640 -0.023 0.000 0.217 501 D C -0.094 176.258 176.300 0.086 0.000 1.050 501 D CA -0.038 53.985 54.000 0.037 0.000 0.856 501 D CB 0.384 41.197 40.800 0.022 0.000 0.922 501 D HN 0.403 nan 8.370 nan 0.000 0.518 502 D N -0.245 120.243 120.400 0.146 0.000 2.323 502 D HA 0.072 4.698 4.640 -0.023 0.000 0.242 502 D C -0.308 176.169 176.300 0.294 0.000 1.347 502 D CA -0.739 53.377 54.000 0.192 0.000 0.988 502 D CB 0.217 41.105 40.800 0.148 0.000 1.314 502 D HN -0.107 nan 8.370 nan 0.000 0.564 503 F N 3.051 123.097 119.950 0.160 0.000 2.128 503 F HA 0.057 4.570 4.527 -0.023 0.000 0.295 503 F C 1.820 177.834 175.800 0.356 0.000 1.100 503 F CA 1.078 59.216 58.000 0.230 0.000 1.260 503 F CB 0.138 39.235 39.000 0.161 0.000 1.009 503 F HN 0.378 nan 8.300 nan 0.000 0.476 504 I N 0.535 121.317 120.570 0.353 0.000 2.361 504 I HA -0.308 3.848 4.170 -0.023 0.000 0.251 504 I C 0.715 176.937 176.117 0.175 0.000 1.133 504 I CA 1.717 63.169 61.300 0.253 0.000 1.413 504 I CB -0.410 37.733 38.000 0.238 0.000 1.073 504 I HN 0.211 nan 8.210 nan 0.000 0.424 505 N N -0.536 118.256 118.700 0.152 0.000 2.275 505 N HA 0.001 4.727 4.740 -0.023 0.000 0.236 505 N C -0.140 175.406 175.510 0.060 0.000 1.154 505 N CA -0.367 52.735 53.050 0.087 0.000 0.866 505 N CB 0.208 38.735 38.487 0.067 0.000 1.093 505 N HN 0.293 nan 8.380 nan 0.000 0.515 506 W N 1.483 122.690 121.300 -0.154 0.000 2.253 506 W HA -0.078 4.567 4.660 -0.025 0.000 0.348 506 W C -0.100 176.253 176.519 -0.275 0.000 1.267 506 W CA 1.030 58.234 57.345 -0.235 0.000 1.298 506 W CB 0.781 30.056 29.460 -0.309 0.000 1.181 506 W HN 0.166 nan 8.180 nan 0.000 0.585 507 D N 0.878 120.599 120.400 -1.130 0.000 2.430 507 D HA 0.101 4.727 4.640 -0.023 0.000 0.289 507 D C 1.323 176.601 176.300 -1.704 0.000 1.215 507 D CA 0.758 54.202 54.000 -0.927 0.000 0.838 507 D CB 0.010 40.477 40.800 -0.556 0.000 1.290 507 D HN 0.693 nan 8.370 nan 0.000 0.521 508 G N 1.880 109.172 108.800 -2.512 0.000 2.162 508 G HA2 -0.284 3.662 3.960 -0.023 0.000 0.260 508 G HA3 -0.284 3.662 3.960 -0.023 0.000 0.260 508 G C 0.121 174.339 174.900 -1.137 0.000 0.976 508 G CA 0.434 44.397 45.100 -1.895 0.000 0.655 508 G HN 0.427 nan 8.290 nan 0.000 0.533 509 D N 0.433 120.248 120.400 -0.975 0.000 2.517 509 D HA 0.531 5.157 4.640 -0.023 0.000 0.220 509 D C 0.285 176.448 176.300 -0.229 0.000 1.158 509 D CA -0.303 53.427 54.000 -0.449 0.000 0.992 509 D CB -0.282 40.321 40.800 -0.329 0.000 1.058 509 D HN 0.479 nan 8.370 nan 0.000 0.516 510 I N 1.459 121.986 120.570 -0.072 0.000 2.686 510 I HA 0.578 4.734 4.170 -0.023 0.000 0.295 510 I C 0.625 176.938 176.117 0.328 0.000 1.114 510 I CA -0.989 60.406 61.300 0.158 0.000 1.038 510 I CB 1.765 39.958 38.000 0.321 0.000 1.238 510 I HN 0.335 nan 8.210 nan 0.000 0.420 511 G N 4.314 113.271 108.800 0.262 0.000 2.720 511 G HA2 0.028 3.974 3.960 -0.023 0.000 0.237 511 G HA3 0.028 3.974 3.960 -0.023 0.000 0.237 511 G C -0.604 174.522 174.900 0.376 0.000 1.239 511 G CA -0.260 44.991 45.100 0.253 0.000 0.847 511 G HN 0.735 nan 8.290 nan 0.000 0.593 512 K N 1.095 121.382 120.400 -0.188 0.000 2.156 512 K HA 0.478 4.784 4.320 -0.023 0.000 0.271 512 K C -2.018 174.081 176.600 -0.834 0.000 0.995 512 K CA -1.441 54.271 56.287 -0.958 0.000 0.890 512 K CB 1.290 33.086 32.500 -1.173 0.000 1.073 512 K HN 0.273 nan 8.250 nan 0.000 0.454 513 P HA 0.115 nan 4.420 nan 0.000 0.278 513 P C -1.201 175.466 177.300 -1.055 0.000 1.266 513 P CA -0.502 61.825 63.100 -1.288 0.000 0.807 513 P CB 0.565 31.143 31.700 -1.869 0.000 1.094 514 D N 0.062 120.094 120.400 -0.614 0.000 2.371 514 D HA 0.014 4.641 4.640 -0.023 0.000 0.256 514 D C 0.269 176.304 176.300 -0.441 0.000 1.193 514 D CA -0.073 53.654 54.000 -0.454 0.000 0.881 514 D CB 0.164 40.829 40.800 -0.225 0.000 1.143 514 D HN 0.293 nan 8.370 nan 0.000 0.473 515 W N 3.573 124.704 121.300 -0.281 0.000 2.800 515 W HA 0.172 4.791 4.660 -0.070 0.000 0.249 515 W C 1.776 178.228 176.519 -0.112 0.000 1.294 515 W CA 0.286 57.468 57.345 -0.271 0.000 1.402 515 W CB -0.088 29.067 29.460 -0.509 0.000 1.126 515 W HN 0.727 nan 8.180 nan 0.000 0.652 516 G N 0.588 109.433 108.800 0.074 0.000 2.598 516 G HA2 -0.265 3.681 3.960 -0.023 0.000 0.244 516 G HA3 -0.265 3.681 3.960 -0.023 0.000 0.244 516 G C 0.154 175.154 174.900 0.167 0.000 1.302 516 G CA -0.066 45.083 45.100 0.082 0.000 0.903 516 G HN 0.272 nan 8.290 nan 0.000 0.575 517 T N -0.604 114.019 114.554 0.115 0.000 2.902 517 T HA 0.694 5.030 4.350 -0.023 0.000 0.280 517 T C -2.408 172.254 174.700 -0.063 0.000 0.992 517 T CA -0.892 61.266 62.100 0.096 0.000 1.015 517 T CB 1.824 70.703 68.868 0.019 0.000 1.044 517 T HN 0.561 nan 8.240 nan 0.000 0.520 518 P HA 0.294 nan 4.420 nan 0.000 0.271 518 P C 0.224 177.142 177.300 -0.637 0.000 1.218 518 P CA -0.392 62.222 63.100 -0.810 0.000 0.780 518 P CB 0.548 31.682 31.700 -0.944 0.000 0.901 519 S N -0.232 114.912 115.700 -0.928 0.000 2.486 519 S HA 0.029 4.486 4.470 -0.023 0.000 0.220 519 S C 0.415 174.563 174.600 -0.753 0.000 1.011 519 S CA 0.338 57.918 58.200 -1.034 0.000 0.921 519 S CB -0.033 61.780 63.200 -2.311 0.000 0.785 519 S HN 0.597 nan 8.310 nan 0.000 0.517 520 Q N -0.652 118.731 119.800 -0.695 0.000 2.503 520 Q HA 0.353 4.679 4.340 -0.023 0.000 0.268 520 Q C -2.356 173.398 176.000 -0.410 0.000 0.982 520 Q CA -0.561 55.025 55.803 -0.362 0.000 0.907 520 Q CB 1.014 29.606 28.738 -0.244 0.000 1.467 520 Q HN 0.244 nan 8.270 nan 0.000 0.394 521 Y N 2.384 122.564 120.300 -0.200 0.000 2.364 521 Y HA 0.476 5.012 4.550 -0.022 0.000 0.340 521 Y C 0.091 175.864 175.900 -0.212 0.000 0.975 521 Y CA -0.799 57.178 58.100 -0.205 0.000 1.089 521 Y CB 1.488 39.848 38.460 -0.166 0.000 1.192 521 Y HN 0.454 nan 8.280 nan 0.000 0.454 522 I N 2.421 122.876 120.570 -0.191 0.000 2.440 522 I HA 0.219 4.375 4.170 -0.023 0.000 0.294 522 I C -0.555 175.368 176.117 -0.323 0.000 0.995 522 I CA -0.361 60.693 61.300 -0.409 0.000 1.306 522 I CB 1.485 38.908 38.000 -0.963 0.000 1.407 522 I HN 0.698 nan 8.210 nan 0.000 0.501 523 D N 3.142 123.398 120.400 -0.240 0.000 2.411 523 D HA 0.265 4.891 4.640 -0.023 0.000 0.239 523 D C -1.295 175.041 176.300 0.059 0.000 1.307 523 D CA -0.207 53.770 54.000 -0.038 0.000 0.930 523 D CB 0.713 41.547 40.800 0.057 0.000 1.395 523 D HN 0.401 nan 8.370 nan 0.000 0.536 524 D N 1.810 122.295 120.400 0.142 0.000 2.278 524 D HA 0.422 5.048 4.640 -0.023 0.000 0.245 524 D C -0.863 175.663 176.300 0.377 0.000 1.052 524 D CA -0.395 53.790 54.000 0.308 0.000 0.834 524 D CB 1.164 42.294 40.800 0.550 0.000 1.194 524 D HN 0.035 nan 8.370 nan 0.000 0.481 525 K N 1.746 122.297 120.400 0.252 0.000 2.450 525 K HA 0.482 4.788 4.320 -0.023 0.000 0.257 525 K C -1.051 175.641 176.600 0.153 0.000 0.953 525 K CA -0.633 55.757 56.287 0.171 0.000 0.844 525 K CB 1.715 34.209 32.500 -0.009 0.000 1.103 525 K HN 0.327 nan 8.250 nan 0.000 0.429 526 T N 2.716 117.365 114.554 0.159 0.000 2.855 526 T HA 0.399 4.736 4.350 -0.023 0.000 0.281 526 T C -0.733 173.869 174.700 -0.164 0.000 1.007 526 T CA -0.770 61.279 62.100 -0.087 0.000 1.009 526 T CB 1.228 69.965 68.868 -0.218 0.000 0.983 526 T HN 0.309 nan 8.240 nan 0.000 0.455 527 R N 2.510 122.810 120.500 -0.333 0.000 2.502 527 R HA 0.248 4.574 4.340 -0.023 0.000 0.298 527 R C -1.397 174.649 176.300 -0.423 0.000 1.018 527 R CA -0.498 55.369 56.100 -0.389 0.000 0.899 527 R CB 1.408 31.533 30.300 -0.291 0.000 1.181 527 R HN 0.614 nan 8.270 nan 0.000 0.444 528 Q N 4.611 124.192 119.800 -0.366 0.000 2.282 528 Q HA 0.483 4.809 4.340 -0.023 0.000 0.260 528 Q C -0.824 175.078 176.000 -0.164 0.000 0.964 528 Q CA -0.717 54.983 55.803 -0.172 0.000 0.880 528 Q CB 2.214 30.912 28.738 -0.067 0.000 1.286 528 Q HN 0.548 nan 8.270 nan 0.000 0.445 529 L N 1.325 122.518 121.223 -0.051 0.000 2.381 529 L HA 0.700 5.026 4.340 -0.023 0.000 0.274 529 L C 0.042 176.947 176.870 0.058 0.000 0.988 529 L CA -0.840 53.989 54.840 -0.019 0.000 0.824 529 L CB 2.237 44.287 42.059 -0.015 0.000 1.263 529 L HN 0.630 nan 8.230 nan 0.000 0.410 530 G N 0.926 109.775 108.800 0.083 0.000 2.524 530 G HA2 0.692 4.638 3.960 -0.023 0.000 0.310 530 G HA3 0.692 4.638 3.960 -0.023 0.000 0.310 530 G C -1.285 173.702 174.900 0.144 0.000 1.279 530 G CA -0.352 44.831 45.100 0.138 0.000 0.974 530 G HN 0.425 nan 8.290 nan 0.000 0.484 531 S N -0.051 115.744 115.700 0.158 0.000 2.614 531 S HA 0.675 5.132 4.470 -0.023 0.000 0.288 531 S C -1.337 173.361 174.600 0.164 0.000 1.137 531 S CA -0.539 57.711 58.200 0.083 0.000 0.992 531 S CB 0.964 64.196 63.200 0.053 0.000 1.026 531 S HN 0.767 nan 8.310 nan 0.000 0.486 532 Y N 0.190 120.526 120.300 0.059 0.000 2.581 532 Y HA 0.863 5.399 4.550 -0.023 0.000 0.345 532 Y C -0.854 175.070 175.900 0.039 0.000 1.036 532 Y CA -1.428 56.699 58.100 0.045 0.000 1.042 532 Y CB 1.565 40.022 38.460 -0.005 0.000 1.289 532 Y HN 0.567 nan 8.280 nan 0.000 0.471 533 M N 2.532 122.290 119.600 0.263 0.000 2.274 533 M HA 0.490 4.956 4.480 -0.023 0.000 0.272 533 M C -2.190 174.191 176.300 0.136 0.000 1.053 533 M CA -0.111 55.281 55.300 0.154 0.000 0.978 533 M CB 2.218 34.882 32.600 0.107 0.000 1.836 533 M HN 0.919 nan 8.290 nan 0.000 0.484 534 T N 3.191 117.798 114.554 0.089 0.000 2.881 534 T HA 0.738 5.075 4.350 -0.023 0.000 0.291 534 T C -0.752 173.954 174.700 0.010 0.000 0.990 534 T CA -0.600 61.531 62.100 0.052 0.000 0.976 534 T CB 1.559 70.411 68.868 -0.027 0.000 0.970 534 T HN 0.690 nan 8.240 nan 0.000 0.438 535 A N 3.091 125.904 122.820 -0.012 0.000 2.301 535 A HA 0.754 5.060 4.320 -0.023 0.000 0.312 535 A C 0.126 177.512 177.584 -0.329 0.000 1.182 535 A CA -0.794 51.115 52.037 -0.213 0.000 0.826 535 A CB 0.651 19.426 19.000 -0.375 0.000 1.134 535 A HN 0.786 nan 8.150 nan 0.000 0.501 536 R N 2.743 122.974 120.500 -0.448 0.000 2.247 536 R HA 0.470 4.797 4.340 -0.023 0.000 0.329 536 R C -1.720 174.306 176.300 -0.456 0.000 1.014 536 R CA -0.288 55.464 56.100 -0.579 0.000 0.907 536 R CB 0.157 30.076 30.300 -0.636 0.000 1.146 536 R HN 0.588 nan 8.270 nan 0.000 0.499 537 F N 2.549 122.394 119.950 -0.176 0.000 2.410 537 F HA 0.192 4.705 4.527 -0.023 0.000 0.348 537 F C 1.161 176.971 175.800 0.017 0.000 1.106 537 F CA -0.513 57.418 58.000 -0.115 0.000 1.163 537 F CB 0.966 39.843 39.000 -0.206 0.000 1.129 537 F HN 0.395 nan 8.300 nan 0.000 0.516 538 N N 3.727 122.678 118.700 0.418 0.000 2.868 538 N HA 0.095 4.821 4.740 -0.023 0.000 0.252 538 N C 0.753 176.408 175.510 0.242 0.000 1.130 538 N CA -0.029 53.149 53.050 0.213 0.000 1.026 538 N CB 0.691 39.222 38.487 0.075 0.000 1.335 538 N HN 0.464 nan 8.380 nan 0.000 0.516 539 V N 1.599 121.626 119.914 0.190 0.000 2.270 539 V HA -0.121 3.986 4.120 -0.023 0.000 0.245 539 V C 1.584 177.741 176.094 0.105 0.000 1.043 539 V CA 2.012 64.395 62.300 0.139 0.000 1.014 539 V CB -0.707 31.171 31.823 0.091 0.000 0.645 539 V HN 0.775 nan 8.190 nan 0.000 0.447 540 T N -3.747 110.867 114.554 0.099 0.000 2.724 540 T HA 0.268 4.604 4.350 -0.023 0.000 0.274 540 T C 0.429 175.163 174.700 0.056 0.000 0.984 540 T CA -0.322 61.823 62.100 0.074 0.000 1.024 540 T CB 1.572 70.492 68.868 0.086 0.000 1.320 540 T HN 0.103 nan 8.240 nan 0.000 0.555 541 D N 0.565 120.984 120.400 0.032 0.000 2.310 541 D HA -0.014 4.613 4.640 -0.023 0.000 0.212 541 D C 0.715 177.009 176.300 -0.010 0.000 0.965 541 D CA 0.972 54.975 54.000 0.006 0.000 0.879 541 D CB 0.058 40.854 40.800 -0.007 0.000 0.921 541 D HN 0.601 nan 8.370 nan 0.000 0.510 542 D N -0.259 120.140 120.400 -0.002 0.000 2.441 542 D HA 0.048 4.675 4.640 -0.023 0.000 0.210 542 D C 0.462 176.777 176.300 0.024 0.000 1.102 542 D CA -0.247 53.700 54.000 -0.088 0.000 0.840 542 D CB 0.959 41.560 40.800 -0.332 0.000 0.990 542 D HN 0.091 nan 8.370 nan 0.000 0.505 543 L N 1.916 123.230 121.223 0.151 0.000 2.305 543 L HA 0.375 4.702 4.340 -0.023 0.000 0.284 543 L C -1.003 175.967 176.870 0.166 0.000 1.013 543 L CA -0.434 54.551 54.840 0.241 0.000 0.819 543 L CB 1.191 43.416 42.059 0.277 0.000 1.227 543 L HN -0.233 nan 8.230 nan 0.000 0.417 544 N N 5.169 123.971 118.700 0.170 0.000 2.342 544 N HA 0.466 5.193 4.740 -0.023 0.000 0.293 544 N C -1.589 174.014 175.510 0.156 0.000 1.026 544 N CA -0.571 52.549 53.050 0.116 0.000 0.857 544 N CB 2.721 41.239 38.487 0.052 0.000 1.256 544 N HN 0.402 nan 8.380 nan 0.000 0.484 545 L N 2.906 124.199 121.223 0.116 0.000 2.349 545 L HA 0.550 4.876 4.340 -0.023 0.000 0.278 545 L C -1.474 175.486 176.870 0.149 0.000 0.996 545 L CA -0.477 54.491 54.840 0.214 0.000 0.825 545 L CB 0.557 42.745 42.059 0.216 0.000 1.243 545 L HN 0.330 nan 8.230 nan 0.000 0.412 546 F N 5.888 125.993 119.950 0.258 0.000 2.410 546 F HA 0.579 5.093 4.527 -0.023 0.000 0.349 546 F C -0.148 175.846 175.800 0.324 0.000 1.117 546 F CA -0.259 57.910 58.000 0.282 0.000 1.104 546 F CB 1.095 40.312 39.000 0.361 0.000 1.122 546 F HN 0.221 nan 8.300 nan 0.000 0.483 547 L N 3.365 124.865 121.223 0.463 0.000 2.476 547 L HA 0.802 5.128 4.340 -0.023 0.000 0.269 547 L C -0.093 176.983 176.870 0.343 0.000 0.965 547 L CA -0.379 54.705 54.840 0.406 0.000 0.845 547 L CB 1.741 44.033 42.059 0.389 0.000 1.259 547 L HN 0.823 nan 8.230 nan 0.000 0.403 548 G N 1.583 110.595 108.800 0.354 0.000 2.427 548 G HA2 0.716 4.662 3.960 -0.023 0.000 0.306 548 G HA3 0.716 4.662 3.960 -0.023 0.000 0.306 548 G C -1.204 173.860 174.900 0.274 0.000 1.280 548 G CA 0.145 45.413 45.100 0.280 0.000 0.837 548 G HN 0.881 nan 8.290 nan 0.000 0.482 549 G N -1.338 107.585 108.800 0.205 0.000 2.428 549 G HA2 0.645 4.591 3.960 -0.023 0.000 0.304 549 G HA3 0.645 4.591 3.960 -0.023 0.000 0.304 549 G C -1.768 173.205 174.900 0.121 0.000 1.303 549 G CA -0.407 44.707 45.100 0.024 0.000 0.825 549 G HN 0.698 nan 8.290 nan 0.000 0.484 550 R N -0.689 119.827 120.500 0.028 0.000 2.628 550 R HA 0.657 4.983 4.340 -0.023 0.000 0.288 550 R C -1.158 175.274 176.300 0.221 0.000 0.980 550 R CA -0.669 55.523 56.100 0.153 0.000 0.891 550 R CB 2.208 32.544 30.300 0.060 0.000 1.188 550 R HN 0.873 nan 8.270 nan 0.000 0.450 551 V N 4.591 124.671 119.914 0.278 0.000 2.532 551 V HA 0.713 4.819 4.120 -0.023 0.000 0.295 551 V C -1.215 175.000 176.094 0.200 0.000 1.041 551 V CA -0.208 62.252 62.300 0.268 0.000 0.926 551 V CB 1.781 33.756 31.823 0.254 0.000 0.992 551 V HN 0.540 nan 8.190 nan 0.000 0.457 552 V N 5.600 125.639 119.914 0.208 0.000 2.760 552 V HA 0.565 4.671 4.120 -0.023 0.000 0.309 552 V C -0.919 175.306 176.094 0.217 0.000 1.077 552 V CA -0.570 61.862 62.300 0.220 0.000 0.910 552 V CB 1.875 33.887 31.823 0.315 0.000 1.008 552 V HN 1.018 nan 8.190 nan 0.000 0.424 553 D N 2.411 122.922 120.400 0.185 0.000 2.549 553 D HA 0.350 4.976 4.640 -0.023 0.000 0.251 553 D C -2.060 174.356 176.300 0.193 0.000 1.153 553 D CA -0.232 53.867 54.000 0.164 0.000 0.861 553 D CB 2.041 42.897 40.800 0.092 0.000 1.207 553 D HN 0.530 nan 8.370 nan 0.000 0.543 554 Y N 3.571 123.909 120.300 0.063 0.000 2.361 554 Y HA 0.369 4.905 4.550 -0.023 0.000 0.337 554 Y C -0.902 175.014 175.900 0.026 0.000 0.965 554 Y CA -0.873 57.244 58.100 0.029 0.000 1.091 554 Y CB 1.242 39.744 38.460 0.069 0.000 1.182 554 Y HN 0.396 nan 8.280 nan 0.000 0.450 555 R N 5.558 125.893 120.500 -0.275 0.000 2.532 555 R HA 0.719 5.045 4.340 -0.023 0.000 0.297 555 R C -2.460 173.699 176.300 -0.235 0.000 0.984 555 R CA -0.788 55.227 56.100 -0.141 0.000 0.884 555 R CB 1.782 32.049 30.300 -0.055 0.000 1.182 555 R HN 0.538 nan 8.270 nan 0.000 0.442 556 V N 4.168 124.028 119.914 -0.090 0.000 2.407 556 V HA 0.577 4.683 4.120 -0.023 0.000 0.291 556 V C -1.297 174.825 176.094 0.047 0.000 1.018 556 V CA 0.036 62.319 62.300 -0.027 0.000 0.842 556 V CB 1.894 33.734 31.823 0.028 0.000 0.996 556 V HN 0.951 nan 8.190 nan 0.000 0.426 557 T N 5.042 119.631 114.554 0.058 0.000 2.924 557 T HA 0.958 5.294 4.350 -0.023 0.000 0.291 557 T C 0.248 174.997 174.700 0.082 0.000 1.045 557 T CA 0.464 62.600 62.100 0.060 0.000 1.015 557 T CB 1.569 70.457 68.868 0.034 0.000 1.103 557 T HN 1.614 nan 8.240 nan 0.000 0.496 558 G N 0.585 109.427 108.800 0.070 0.000 2.181 558 G HA2 -0.066 3.880 3.960 -0.023 0.000 0.098 558 G HA3 -0.066 3.880 3.960 -0.023 0.000 0.098 558 G C 0.370 175.311 174.900 0.068 0.000 1.237 558 G CA -0.268 44.874 45.100 0.070 0.000 1.238 558 G HN 0.625 nan 8.290 nan 0.000 0.468 559 L N 1.586 122.851 121.223 0.071 0.000 2.179 559 L HA 0.183 4.509 4.340 -0.023 0.000 0.208 559 L C 1.177 178.098 176.870 0.085 0.000 1.096 559 L CA 0.500 55.378 54.840 0.064 0.000 0.779 559 L CB -0.649 41.437 42.059 0.045 0.000 0.922 559 L HN 0.362 nan 8.230 nan 0.000 0.443 560 N N 0.781 119.547 118.700 0.111 0.000 2.399 560 N HA 0.184 4.910 4.740 -0.023 0.000 0.250 560 N C -2.193 173.375 175.510 0.097 0.000 1.272 560 N CA -0.927 52.195 53.050 0.120 0.000 0.928 560 N CB -0.343 38.237 38.487 0.155 0.000 1.158 560 N HN -0.096 nan 8.380 nan 0.000 0.463 561 P HA 0.075 nan 4.420 nan 0.000 0.270 561 P C -0.301 177.043 177.300 0.074 0.000 1.223 561 P CA 0.115 63.260 63.100 0.074 0.000 0.785 561 P CB 0.221 31.963 31.700 0.070 0.000 0.923 562 T N 2.357 116.950 114.554 0.064 0.000 2.888 562 T HA 0.204 4.540 4.350 -0.023 0.000 0.301 562 T C 0.481 175.221 174.700 0.068 0.000 1.001 562 T CA 0.370 62.507 62.100 0.062 0.000 1.147 562 T CB -0.400 68.499 68.868 0.051 0.000 0.931 562 T HN 0.173 nan 8.240 nan 0.000 0.541 563 I N 3.949 124.565 120.570 0.078 0.000 2.330 563 I HA 0.438 4.594 4.170 -0.023 0.000 0.289 563 I C 0.411 176.596 176.117 0.113 0.000 1.001 563 I CA -0.671 60.688 61.300 0.098 0.000 1.193 563 I CB 0.926 39.001 38.000 0.125 0.000 1.345 563 I HN 0.188 nan 8.210 nan 0.000 0.461 564 R N 5.658 126.223 120.500 0.109 0.000 2.502 564 R HA 0.419 4.745 4.340 -0.023 0.000 0.300 564 R C -1.267 175.106 176.300 0.122 0.000 0.984 564 R CA -0.617 55.549 56.100 0.110 0.000 0.882 564 R CB 1.938 32.281 30.300 0.072 0.000 1.180 564 R HN 0.512 nan 8.270 nan 0.000 0.444 565 E N 1.840 122.143 120.200 0.173 0.000 2.199 565 E HA 0.385 4.721 4.350 -0.023 0.000 0.265 565 E C -0.743 175.930 176.600 0.121 0.000 0.882 565 E CA -0.531 55.947 56.400 0.130 0.000 0.759 565 E CB 2.318 32.112 29.700 0.157 0.000 1.148 565 E HN 0.351 nan 8.360 nan 0.000 0.412 566 S N 0.003 115.742 115.700 0.066 0.000 2.568 566 S HA 0.569 5.025 4.470 -0.023 0.000 0.302 566 S C 0.665 175.292 174.600 0.046 0.000 1.082 566 S CA -0.298 57.940 58.200 0.063 0.000 1.009 566 S CB 1.683 64.911 63.200 0.047 0.000 1.069 566 S HN 0.760 nan 8.310 nan 0.000 0.500 567 G N 2.327 111.165 108.800 0.062 0.000 2.422 567 G HA2 -0.252 3.694 3.960 -0.023 0.000 0.301 567 G HA3 -0.252 3.694 3.960 -0.023 0.000 0.301 567 G C -0.010 174.926 174.900 0.061 0.000 0.981 567 G CA 0.184 45.321 45.100 0.062 0.000 0.994 567 G HN 0.528 nan 8.290 nan 0.000 0.514 568 R N -0.921 119.612 120.500 0.054 0.000 2.347 568 R HA 0.351 4.678 4.340 -0.023 0.000 0.304 568 R C -0.349 176.038 176.300 0.145 0.000 1.072 568 R CA -0.417 55.670 56.100 -0.021 0.000 0.980 568 R CB 0.600 30.732 30.300 -0.281 0.000 0.986 568 R HN 0.213 nan 8.270 nan 0.000 0.448 569 F N 4.352 124.274 119.950 -0.046 0.000 2.436 569 F HA 0.430 4.943 4.527 -0.023 0.000 0.340 569 F C -0.302 175.517 175.800 0.033 0.000 1.113 569 F CA -1.120 56.890 58.000 0.018 0.000 1.022 569 F CB 0.830 39.842 39.000 0.020 0.000 1.128 569 F HN 0.345 nan 8.300 nan 0.000 0.466 570 I N 8.859 129.021 120.570 -0.680 0.000 2.437 570 I HA 0.283 4.439 4.170 -0.023 0.000 0.279 570 I C -2.271 173.379 176.117 -0.778 0.000 1.028 570 I CA -2.039 58.972 61.300 -0.481 0.000 1.142 570 I CB 1.509 39.403 38.000 -0.177 0.000 1.266 570 I HN 0.396 nan 8.210 nan 0.000 0.461 571 P HA 0.078 nan 4.420 nan 0.000 0.274 571 P C -1.445 175.787 177.300 -0.112 0.000 1.237 571 P CA -0.115 62.751 63.100 -0.389 0.000 0.793 571 P CB 1.054 32.741 31.700 -0.022 0.000 0.977 572 Y N 0.847 121.100 120.300 -0.078 0.000 2.315 572 Y HA 0.399 4.935 4.550 -0.023 0.000 0.324 572 Y C -1.481 174.481 175.900 0.103 0.000 1.062 572 Y CA -0.579 57.502 58.100 -0.031 0.000 1.159 572 Y CB 1.315 39.748 38.460 -0.044 0.000 1.145 572 Y HN 0.038 nan 8.280 nan 0.000 0.442 573 V N 5.177 124.995 119.914 -0.159 0.000 2.531 573 V HA 0.909 5.015 4.120 -0.023 0.000 0.301 573 V C -0.108 175.916 176.094 -0.117 0.000 1.034 573 V CA -0.305 62.006 62.300 0.019 0.000 0.865 573 V CB 1.622 33.520 31.823 0.124 0.000 0.995 573 V HN 0.912 nan 8.190 nan 0.000 0.424 574 G N 2.896 111.749 108.800 0.087 0.000 2.706 574 G HA2 0.839 4.786 3.960 -0.023 0.000 0.297 574 G HA3 0.839 4.786 3.960 -0.023 0.000 0.297 574 G C -1.293 173.807 174.900 0.334 0.000 1.403 574 G CA -0.139 45.023 45.100 0.104 0.000 0.954 574 G HN 1.115 nan 8.290 nan 0.000 0.500 575 A N 0.380 123.375 122.820 0.292 0.000 2.475 575 A HA 0.832 5.139 4.320 -0.023 0.000 0.301 575 A C -1.252 176.543 177.584 0.352 0.000 1.059 575 A CA -0.632 51.607 52.037 0.337 0.000 0.710 575 A CB 2.159 21.295 19.000 0.228 0.000 1.288 575 A HN 1.351 nan 8.150 nan 0.000 0.408 576 V N 2.005 122.137 119.914 0.364 0.000 2.407 576 V HA 0.366 4.472 4.120 -0.023 0.000 0.291 576 V C -1.374 174.909 176.094 0.315 0.000 1.018 576 V CA -0.387 62.111 62.300 0.329 0.000 0.842 576 V CB 1.235 33.231 31.823 0.289 0.000 0.996 576 V HN 0.799 nan 8.190 nan 0.000 0.426 577 Y N 3.672 124.066 120.300 0.157 0.000 2.334 577 Y HA 0.501 5.038 4.550 -0.023 0.000 0.336 577 Y C 0.141 176.101 175.900 0.100 0.000 0.960 577 Y CA -1.027 57.140 58.100 0.112 0.000 1.164 577 Y CB 0.973 39.488 38.460 0.092 0.000 1.155 577 Y HN 0.661 nan 8.280 nan 0.000 0.478 578 D N 6.409 126.573 120.400 -0.393 0.000 2.350 578 D HA 0.173 4.799 4.640 -0.023 0.000 0.249 578 D C 0.540 176.578 176.300 -0.436 0.000 1.119 578 D CA 0.293 54.111 54.000 -0.302 0.000 0.886 578 D CB 1.780 42.456 40.800 -0.207 0.000 1.195 578 D HN 0.735 nan 8.370 nan 0.000 0.437 579 L N 1.327 122.448 121.223 -0.170 0.000 2.624 579 L HA 0.150 4.476 4.340 -0.023 0.000 0.222 579 L C 0.519 177.366 176.870 -0.039 0.000 1.046 579 L CA 0.155 54.941 54.840 -0.090 0.000 0.872 579 L CB 0.177 42.260 42.059 0.039 0.000 1.190 579 L HN 0.198 nan 8.230 nan 0.000 0.487 580 N N -1.255 117.431 118.700 -0.022 0.000 2.831 580 N HA 0.162 4.888 4.740 -0.023 0.000 0.276 580 N C -0.197 175.270 175.510 -0.072 0.000 1.416 580 N CA -0.611 52.422 53.050 -0.027 0.000 0.799 580 N CB 0.809 39.292 38.487 -0.007 0.000 1.554 580 N HN -0.203 nan 8.380 nan 0.000 0.541 581 D N -0.204 120.148 120.400 -0.080 0.000 2.265 581 D HA -0.076 4.550 4.640 -0.023 0.000 0.208 581 D C 0.794 176.987 176.300 -0.179 0.000 0.977 581 D CA 1.573 55.510 54.000 -0.105 0.000 0.871 581 D CB 0.187 40.936 40.800 -0.085 0.000 0.925 581 D HN 0.439 nan 8.370 nan 0.000 0.485 582 T N -0.837 113.569 114.554 -0.247 0.000 3.004 582 T HA 0.009 4.345 4.350 -0.023 0.000 0.243 582 T C 0.194 174.552 174.700 -0.569 0.000 1.020 582 T CA 0.420 62.199 62.100 -0.535 0.000 1.145 582 T CB 0.307 68.705 68.868 -0.784 0.000 0.876 582 T HN -0.031 nan 8.240 nan 0.000 0.449 583 Y N 1.067 121.288 120.300 -0.131 0.000 2.429 583 Y HA 0.641 5.177 4.550 -0.023 0.000 0.342 583 Y C -0.067 175.808 175.900 -0.043 0.000 1.004 583 Y CA -1.372 56.679 58.100 -0.080 0.000 1.075 583 Y CB 1.846 40.284 38.460 -0.036 0.000 1.214 583 Y HN -0.072 nan 8.280 nan 0.000 0.455 584 S N 1.635 117.449 115.700 0.191 0.000 2.536 584 S HA 0.664 5.120 4.470 -0.023 0.000 0.287 584 S C -0.764 173.976 174.600 0.233 0.000 1.101 584 S CA -0.948 57.345 58.200 0.156 0.000 0.950 584 S CB 1.576 64.842 63.200 0.110 0.000 1.056 584 S HN 0.524 nan 8.310 nan 0.000 0.481 585 V N 1.188 121.244 119.914 0.236 0.000 2.863 585 V HA 0.897 5.003 4.120 -0.023 0.000 0.307 585 V C -0.928 175.366 176.094 0.334 0.000 1.061 585 V CA -0.598 61.844 62.300 0.236 0.000 1.024 585 V CB 0.580 32.493 31.823 0.150 0.000 1.049 585 V HN 0.948 nan 8.190 nan 0.000 0.471 586 Y N 0.632 121.010 120.300 0.130 0.000 2.571 586 Y HA 0.951 5.487 4.550 -0.023 0.000 0.341 586 Y C -0.592 175.366 175.900 0.096 0.000 1.076 586 Y CA -0.870 57.302 58.100 0.119 0.000 1.029 586 Y CB 1.305 39.822 38.460 0.095 0.000 1.308 586 Y HN 1.101 nan 8.280 nan 0.000 0.461 587 A N 1.845 124.781 122.820 0.193 0.000 2.475 587 A HA 0.907 5.213 4.320 -0.023 0.000 0.301 587 A C -0.987 176.689 177.584 0.154 0.000 1.059 587 A CA -0.171 51.920 52.037 0.090 0.000 0.710 587 A CB 1.434 20.470 19.000 0.061 0.000 1.288 587 A HN 1.591 nan 8.150 nan 0.000 0.408 588 S N 0.151 115.909 115.700 0.097 0.000 2.579 588 S HA 0.726 5.182 4.470 -0.023 0.000 0.272 588 S C -1.389 173.187 174.600 -0.040 0.000 1.141 588 S CA -0.574 57.611 58.200 -0.026 0.000 0.843 588 S CB 1.449 64.565 63.200 -0.139 0.000 1.122 588 S HN 1.615 nan 8.310 nan 0.000 0.468 589 Y N 1.685 121.801 120.300 -0.306 0.000 2.327 589 Y HA 0.603 5.140 4.550 -0.023 0.000 0.325 589 Y C -0.502 175.127 175.900 -0.452 0.000 0.999 589 Y CA -0.058 57.808 58.100 -0.390 0.000 1.195 589 Y CB 1.407 39.687 38.460 -0.299 0.000 1.132 589 Y HN 1.139 nan 8.280 nan 0.000 0.455 590 T N 1.737 115.783 114.554 -0.847 0.000 2.916 590 T HA 0.694 5.030 4.350 -0.023 0.000 0.292 590 T C -1.426 172.858 174.700 -0.693 0.000 1.064 590 T CA -0.712 60.981 62.100 -0.678 0.000 1.011 590 T CB 2.543 71.149 68.868 -0.437 0.000 1.152 590 T HN 0.621 nan 8.240 nan 0.000 0.510 591 D N -0.789 119.334 120.400 -0.461 0.000 2.570 591 D HA 0.773 5.399 4.640 -0.023 0.000 0.244 591 D C -1.515 174.646 176.300 -0.231 0.000 1.178 591 D CA -0.703 53.073 54.000 -0.372 0.000 0.881 591 D CB 2.138 42.719 40.800 -0.365 0.000 1.453 591 D HN 0.859 nan 8.370 nan 0.000 0.447 592 I N 1.403 121.875 120.570 -0.164 0.000 2.793 592 I HA 0.473 4.629 4.170 -0.023 0.000 0.295 592 I C -1.776 174.334 176.117 -0.011 0.000 1.610 592 I CA -0.740 60.485 61.300 -0.124 0.000 0.986 592 I CB 1.229 39.088 38.000 -0.235 0.000 1.402 592 I HN 0.506 nan 8.210 nan 0.000 0.500 593 F N 5.010 124.830 119.950 -0.218 0.000 2.664 593 F HA 0.908 5.421 4.527 -0.023 0.000 0.317 593 F C -1.362 174.280 175.800 -0.262 0.000 1.108 593 F CA -1.207 56.663 58.000 -0.217 0.000 0.957 593 F CB 1.648 40.538 39.000 -0.183 0.000 1.365 593 F HN 0.319 nan 8.300 nan 0.000 0.475 594 M N 2.840 122.311 119.600 -0.215 0.000 2.182 594 M HA 0.567 5.033 4.480 -0.023 0.000 0.266 594 M C -3.186 172.999 176.300 -0.192 0.000 0.989 594 M CA -2.752 52.319 55.300 -0.381 0.000 1.003 594 M CB 1.799 34.226 32.600 -0.288 0.000 1.812 594 M HN 0.321 nan 8.290 nan 0.000 0.472 595 P HA 0.160 nan 4.420 nan 0.000 0.266 595 P C -1.172 176.085 177.300 -0.071 0.000 1.195 595 P CA -0.012 63.039 63.100 -0.081 0.000 0.768 595 P CB 0.492 32.168 31.700 -0.039 0.000 0.838 596 Q N 2.013 121.792 119.800 -0.035 0.000 2.368 596 Q HA 0.103 4.429 4.340 -0.023 0.000 0.237 596 Q C -0.010 175.930 176.000 -0.100 0.000 0.987 596 Q CA 0.019 55.794 55.803 -0.047 0.000 0.896 596 Q CB 0.338 29.056 28.738 -0.033 0.000 1.241 596 Q HN 0.407 nan 8.270 nan 0.000 0.485 597 D N 0.368 120.627 120.400 -0.234 0.000 2.361 597 D HA -0.067 4.560 4.640 -0.023 0.000 0.239 597 D C 0.276 176.168 176.300 -0.681 0.000 1.200 597 D CA 0.127 53.711 54.000 -0.693 0.000 0.915 597 D CB 1.008 40.817 40.800 -1.652 0.000 1.170 597 D HN 0.549 nan 8.370 nan 0.000 0.444 598 S N 0.201 115.584 115.700 -0.527 0.000 2.469 598 S HA -0.122 4.335 4.470 -0.023 0.000 0.238 598 S C 1.366 175.942 174.600 -0.040 0.000 0.998 598 S CA 0.735 58.859 58.200 -0.127 0.000 0.957 598 S CB -0.201 63.059 63.200 0.100 0.000 0.764 598 S HN 0.594 nan 8.310 nan 0.000 0.514 599 W N -1.101 120.165 121.300 -0.057 0.000 3.197 599 W HA 0.405 5.052 4.660 -0.022 0.000 0.274 599 W C -0.206 176.346 176.519 0.055 0.000 1.297 599 W CA -0.545 56.782 57.345 -0.029 0.000 1.662 599 W CB -0.621 28.795 29.460 -0.074 0.000 1.106 599 W HN 0.074 nan 8.180 nan 0.000 0.663 600 Y N 3.996 124.176 120.300 -0.199 0.000 2.830 600 Y HA 0.325 4.862 4.550 -0.022 0.000 0.371 600 Y C 0.698 176.617 175.900 0.032 0.000 1.246 600 Y CA -1.235 56.731 58.100 -0.224 0.000 1.890 600 Y CB -0.893 37.280 38.460 -0.479 0.000 1.995 600 Y HN -0.033 nan 8.280 nan 0.000 0.430 601 R N 0.190 120.906 120.500 0.360 0.000 2.691 601 R HA 0.413 4.740 4.340 -0.023 0.000 0.259 601 R C -0.358 176.070 176.300 0.213 0.000 1.048 601 R CA -0.950 55.285 56.100 0.226 0.000 1.086 601 R CB 0.954 31.357 30.300 0.171 0.000 1.166 601 R HN 0.255 nan 8.270 nan 0.000 0.526 602 D N -0.618 119.831 120.400 0.081 0.000 2.569 602 D HA 0.145 4.772 4.640 -0.023 0.000 0.266 602 D C 0.606 176.813 176.300 -0.155 0.000 1.164 602 D CA -0.788 53.206 54.000 -0.011 0.000 1.071 602 D CB 0.479 41.271 40.800 -0.013 0.000 1.183 602 D HN 0.256 nan 8.370 nan 0.000 0.613 603 S N -0.750 114.782 115.700 -0.279 0.000 2.451 603 S HA -0.237 4.219 4.470 -0.023 0.000 0.272 603 S C 1.575 175.982 174.600 -0.323 0.000 1.136 603 S CA 2.408 60.329 58.200 -0.466 0.000 1.209 603 S CB -0.588 62.459 63.200 -0.254 0.000 1.130 603 S HN 0.597 nan 8.310 nan 0.000 0.440 604 S N 0.499 116.110 115.700 -0.150 0.000 2.577 604 S HA 0.258 4.714 4.470 -0.023 0.000 0.219 604 S C 0.550 175.131 174.600 -0.033 0.000 0.962 604 S CA 0.111 58.266 58.200 -0.074 0.000 0.921 604 S CB 0.138 63.314 63.200 -0.041 0.000 0.789 604 S HN 0.558 nan 8.310 nan 0.000 0.497 605 N N 1.504 120.185 118.700 -0.031 0.000 2.815 605 N HA -0.151 4.575 4.740 -0.023 0.000 0.249 605 N C -0.845 174.685 175.510 0.033 0.000 1.114 605 N CA 0.699 53.761 53.050 0.021 0.000 0.717 605 N CB -1.313 37.195 38.487 0.035 0.000 1.074 605 N HN 0.477 nan 8.380 nan 0.000 0.555 606 K N 0.263 120.677 120.400 0.023 0.000 2.159 606 K HA 0.397 4.704 4.320 -0.023 0.000 0.266 606 K C 0.134 176.762 176.600 0.047 0.000 0.975 606 K CA -0.888 55.418 56.287 0.032 0.000 0.865 606 K CB 1.402 33.914 32.500 0.019 0.000 1.087 606 K HN 0.155 nan 8.250 nan 0.000 0.446 607 L N 3.584 124.838 121.223 0.051 0.000 2.483 607 L HA 0.070 4.397 4.340 -0.023 0.000 0.276 607 L C -0.462 176.431 176.870 0.039 0.000 1.213 607 L CA 0.294 55.166 54.840 0.055 0.000 0.843 607 L CB 0.322 42.408 42.059 0.045 0.000 1.107 607 L HN 0.480 nan 8.230 nan 0.000 0.487 608 L N 3.175 124.420 121.223 0.037 0.000 2.467 608 L HA 0.131 4.458 4.340 -0.023 0.000 0.270 608 L C 0.657 177.525 176.870 -0.004 0.000 1.205 608 L CA -0.284 54.562 54.840 0.009 0.000 0.828 608 L CB 0.291 42.340 42.059 -0.017 0.000 1.101 608 L HN 0.667 nan 8.230 nan 0.000 0.479 609 E N 1.979 122.172 120.200 -0.012 0.000 2.422 609 E HA 0.079 4.415 4.350 -0.023 0.000 0.260 609 E C -2.238 174.347 176.600 -0.026 0.000 1.108 609 E CA -1.155 55.234 56.400 -0.019 0.000 0.943 609 E CB 0.422 30.107 29.700 -0.025 0.000 0.961 609 E HN 0.308 nan 8.360 nan 0.000 0.443 610 P HA -0.052 nan 4.420 nan 0.000 0.269 610 P C -0.904 176.391 177.300 -0.008 0.000 1.209 610 P CA 0.026 63.132 63.100 0.010 0.000 0.776 610 P CB 0.429 32.194 31.700 0.108 0.000 0.876 611 D N 2.378 122.756 120.400 -0.037 0.000 2.346 611 D HA 0.034 4.660 4.640 -0.023 0.000 0.260 611 D C -0.354 175.921 176.300 -0.041 0.000 1.252 611 D CA 0.471 54.435 54.000 -0.061 0.000 0.895 611 D CB -0.058 40.682 40.800 -0.101 0.000 1.097 611 D HN 0.247 nan 8.370 nan 0.000 0.489 612 E N 1.594 121.776 120.200 -0.030 0.000 2.227 612 E HA 0.738 5.074 4.350 -0.023 0.000 0.268 612 E C -0.608 175.954 176.600 -0.063 0.000 0.907 612 E CA -1.043 55.347 56.400 -0.017 0.000 0.786 612 E CB 1.651 31.346 29.700 -0.007 0.000 1.191 612 E HN 0.488 nan 8.360 nan 0.000 0.411 613 G N 1.789 110.524 108.800 -0.107 0.000 2.696 613 G HA2 0.458 4.404 3.960 -0.023 0.000 0.295 613 G HA3 0.458 4.404 3.960 -0.023 0.000 0.295 613 G C -1.588 173.223 174.900 -0.148 0.000 1.398 613 G CA -0.588 44.445 45.100 -0.111 0.000 0.920 613 G HN 0.320 nan 8.290 nan 0.000 0.492 614 Q N -0.024 119.719 119.800 -0.095 0.000 2.333 614 Q HA 0.406 4.733 4.340 -0.023 0.000 0.267 614 Q C -0.445 175.402 176.000 -0.256 0.000 1.012 614 Q CA -0.677 54.949 55.803 -0.295 0.000 0.824 614 Q CB 2.258 30.806 28.738 -0.317 0.000 1.290 614 Q HN 0.642 nan 8.270 nan 0.000 0.449 615 N N 1.345 119.806 118.700 -0.400 0.000 2.422 615 N HA 0.334 5.060 4.740 -0.023 0.000 0.266 615 N C -1.571 173.723 175.510 -0.359 0.000 1.007 615 N CA -0.254 52.659 53.050 -0.228 0.000 0.941 615 N CB 0.553 38.922 38.487 -0.196 0.000 1.115 615 N HN 0.418 nan 8.380 nan 0.000 0.492 616 Y N 1.675 121.977 120.300 0.004 0.000 2.331 616 Y HA 0.358 4.895 4.550 -0.023 0.000 0.338 616 Y C 0.023 175.954 175.900 0.051 0.000 0.976 616 Y CA -0.649 57.474 58.100 0.039 0.000 1.137 616 Y CB 1.418 39.892 38.460 0.025 0.000 1.172 616 Y HN 0.478 nan 8.280 nan 0.000 0.478 617 E N 3.971 124.279 120.200 0.181 0.000 2.290 617 E HA 0.534 4.870 4.350 -0.023 0.000 0.274 617 E C -1.817 174.811 176.600 0.046 0.000 0.889 617 E CA -0.563 55.922 56.400 0.140 0.000 0.760 617 E CB 1.924 31.718 29.700 0.156 0.000 1.206 617 E HN 0.639 nan 8.360 nan 0.000 0.419 618 I N 3.050 123.617 120.570 -0.004 0.000 2.608 618 I HA 0.794 4.950 4.170 -0.023 0.000 0.295 618 I C -0.542 175.373 176.117 -0.338 0.000 1.049 618 I CA -0.358 60.843 61.300 -0.165 0.000 1.063 618 I CB 1.877 39.873 38.000 -0.006 0.000 1.248 618 I HN 0.714 nan 8.210 nan 0.000 0.424 619 G N 6.552 114.951 108.800 -0.668 0.000 2.576 619 G HA2 0.519 4.465 3.960 -0.023 0.000 0.290 619 G HA3 0.519 4.465 3.960 -0.023 0.000 0.290 619 G C -2.286 172.464 174.900 -0.249 0.000 1.442 619 G CA -0.504 44.214 45.100 -0.637 0.000 0.792 619 G HN 0.631 nan 8.290 nan 0.000 0.491 620 I N -0.485 120.144 120.570 0.098 0.000 2.647 620 I HA 0.738 4.895 4.170 -0.023 0.000 0.295 620 I C -1.197 175.111 176.117 0.320 0.000 1.078 620 I CA -1.016 60.408 61.300 0.206 0.000 1.048 620 I CB 2.056 40.091 38.000 0.059 0.000 1.239 620 I HN 0.460 nan 8.210 nan 0.000 0.421 621 K N 4.729 125.327 120.400 0.330 0.000 2.375 621 K HA 0.746 5.052 4.320 -0.023 0.000 0.249 621 K C -0.763 175.994 176.600 0.261 0.000 0.942 621 K CA -0.812 55.633 56.287 0.263 0.000 0.806 621 K CB 2.269 34.863 32.500 0.158 0.000 1.227 621 K HN 0.748 nan 8.250 nan 0.000 0.430 622 G N 0.777 109.691 108.800 0.190 0.000 2.519 622 G HA2 0.458 4.404 3.960 -0.023 0.000 0.307 622 G HA3 0.458 4.404 3.960 -0.023 0.000 0.307 622 G C -1.516 173.181 174.900 -0.338 0.000 1.266 622 G CA -0.293 44.716 45.100 -0.152 0.000 0.970 622 G HN 0.529 nan 8.290 nan 0.000 0.481 623 E N 0.257 120.033 120.200 -0.706 0.000 2.246 623 E HA 0.536 4.873 4.350 -0.023 0.000 0.266 623 E C -1.499 174.747 176.600 -0.590 0.000 0.880 623 E CA -0.606 55.544 56.400 -0.417 0.000 0.762 623 E CB 1.642 31.203 29.700 -0.231 0.000 1.180 623 E HN 0.454 nan 8.360 nan 0.000 0.416 624 Y N 2.337 122.586 120.300 -0.085 0.000 2.602 624 Y HA 0.411 4.947 4.550 -0.023 0.000 0.342 624 Y C 0.251 176.123 175.900 -0.046 0.000 1.029 624 Y CA -1.268 56.784 58.100 -0.081 0.000 1.080 624 Y CB 1.249 39.663 38.460 -0.077 0.000 1.284 624 Y HN 0.491 nan 8.280 nan 0.000 0.485 625 L N 1.637 122.936 121.223 0.126 0.000 3.601 625 L HA -0.282 4.044 4.340 -0.023 0.000 0.469 625 L C -0.262 176.637 176.870 0.050 0.000 1.294 625 L CA 0.911 55.797 54.840 0.076 0.000 0.829 625 L CB -1.443 40.660 42.059 0.074 0.000 1.628 625 L HN 0.867 nan 8.230 nan 0.000 0.868 626 D N 0.675 121.091 120.400 0.026 0.000 2.708 626 D HA -0.151 4.475 4.640 -0.023 0.000 0.236 626 D C 1.281 177.594 176.300 0.021 0.000 1.146 626 D CA 2.256 56.266 54.000 0.017 0.000 0.662 626 D CB -0.912 39.906 40.800 0.030 0.000 1.059 626 D HN 1.113 nan 8.370 nan 0.000 0.428 627 G N -0.489 108.321 108.800 0.017 0.000 2.159 627 G HA2 -0.414 3.532 3.960 -0.023 0.000 0.256 627 G HA3 -0.414 3.532 3.960 -0.023 0.000 0.256 627 G C 1.073 175.998 174.900 0.042 0.000 0.977 627 G CA 0.684 45.798 45.100 0.023 0.000 0.652 627 G HN 0.563 nan 8.290 nan 0.000 0.531 628 R N -1.216 119.315 120.500 0.052 0.000 2.210 628 R HA 0.468 4.794 4.340 -0.023 0.000 0.203 628 R C 0.625 176.956 176.300 0.051 0.000 1.010 628 R CA 0.823 56.952 56.100 0.048 0.000 1.008 628 R CB 0.153 30.479 30.300 0.042 0.000 0.923 628 R HN 0.445 nan 8.270 nan 0.000 0.469 629 L N 0.359 121.632 121.223 0.084 0.000 2.438 629 L HA 0.422 4.748 4.340 -0.023 0.000 0.270 629 L C -1.761 175.231 176.870 0.202 0.000 0.972 629 L CA -0.523 54.379 54.840 0.103 0.000 0.831 629 L CB 2.088 44.180 42.059 0.056 0.000 1.273 629 L HN -0.090 nan 8.230 nan 0.000 0.405 630 N N 1.641 120.437 118.700 0.161 0.000 2.321 630 N HA 0.837 5.563 4.740 -0.023 0.000 0.299 630 N C -1.259 174.376 175.510 0.208 0.000 1.048 630 N CA -0.533 52.620 53.050 0.172 0.000 0.836 630 N CB 2.070 40.613 38.487 0.094 0.000 1.269 630 N HN 0.731 nan 8.380 nan 0.000 0.486 631 T N -1.793 112.928 114.554 0.278 0.000 2.906 631 T HA 0.825 5.161 4.350 -0.023 0.000 0.295 631 T C -0.730 174.110 174.700 0.233 0.000 1.061 631 T CA -0.882 61.376 62.100 0.263 0.000 1.000 631 T CB 1.466 70.547 68.868 0.355 0.000 1.103 631 T HN 0.418 nan 8.240 nan 0.000 0.486 632 S N 1.310 117.132 115.700 0.204 0.000 2.536 632 S HA 0.722 5.179 4.470 -0.023 0.000 0.271 632 S C -1.622 173.100 174.600 0.203 0.000 1.134 632 S CA -0.957 57.370 58.200 0.212 0.000 0.897 632 S CB 1.756 65.069 63.200 0.188 0.000 1.094 632 S HN 1.106 nan 8.310 nan 0.000 0.473 633 L N 1.996 123.343 121.223 0.208 0.000 2.438 633 L HA 0.961 5.287 4.340 -0.023 0.000 0.270 633 L C -0.785 176.205 176.870 0.201 0.000 0.972 633 L CA -0.381 54.567 54.840 0.180 0.000 0.831 633 L CB 1.390 43.507 42.059 0.097 0.000 1.273 633 L HN 1.283 nan 8.230 nan 0.000 0.405 634 A N 4.006 126.980 122.820 0.257 0.000 2.449 634 A HA 0.704 5.010 4.320 -0.023 0.000 0.302 634 A C -2.232 175.566 177.584 0.357 0.000 1.048 634 A CA -0.466 51.737 52.037 0.276 0.000 0.708 634 A CB 1.232 20.447 19.000 0.360 0.000 1.274 634 A HN 0.744 nan 8.150 nan 0.000 0.410 635 Y N 2.207 122.596 120.300 0.149 0.000 2.364 635 Y HA 0.709 5.246 4.550 -0.023 0.000 0.340 635 Y C -1.169 174.819 175.900 0.147 0.000 0.975 635 Y CA -1.574 56.581 58.100 0.092 0.000 1.089 635 Y CB 1.333 39.796 38.460 0.006 0.000 1.192 635 Y HN 0.833 nan 8.280 nan 0.000 0.454 636 F N 2.222 121.735 119.950 -0.730 0.000 2.645 636 F HA 0.768 5.282 4.527 -0.023 0.000 0.310 636 F C -1.682 173.828 175.800 -0.484 0.000 1.102 636 F CA -1.220 56.528 58.000 -0.419 0.000 0.952 636 F CB 1.906 40.816 39.000 -0.149 0.000 1.326 636 F HN 0.445 nan 8.300 nan 0.000 0.456 637 E N 2.541 122.795 120.200 0.090 0.000 2.287 637 E HA 0.538 4.874 4.350 -0.023 0.000 0.274 637 E C -1.721 175.121 176.600 0.403 0.000 0.896 637 E CA -0.580 55.905 56.400 0.143 0.000 0.788 637 E CB 2.591 32.370 29.700 0.132 0.000 1.244 637 E HN 0.724 nan 8.360 nan 0.000 0.408 638 I N 3.405 124.208 120.570 0.390 0.000 2.378 638 I HA 0.270 4.426 4.170 -0.023 0.000 0.291 638 I C -0.376 176.008 176.117 0.445 0.000 0.992 638 I CA -0.581 60.951 61.300 0.387 0.000 1.154 638 I CB 1.194 39.385 38.000 0.319 0.000 1.315 638 I HN 0.420 nan 8.210 nan 0.000 0.448 639 H N 5.824 125.021 119.070 0.210 0.000 2.623 639 H HA 0.240 4.782 4.556 -0.023 0.000 0.299 639 H C -0.650 174.742 175.328 0.107 0.000 1.052 639 H CA -0.530 55.624 56.048 0.176 0.000 1.231 639 H CB 1.435 31.342 29.762 0.242 0.000 1.389 639 H HN 0.552 nan 8.280 nan 0.000 0.469 640 E N 4.284 124.592 120.200 0.180 0.000 2.227 640 E HA 0.066 4.402 4.350 -0.023 0.000 0.282 640 E C -0.473 176.176 176.600 0.082 0.000 1.015 640 E CA -0.792 55.672 56.400 0.107 0.000 0.823 640 E CB 0.861 30.660 29.700 0.166 0.000 1.081 640 E HN 0.624 nan 8.360 nan 0.000 0.396 641 E N 4.081 124.312 120.200 0.050 0.000 2.299 641 E HA 0.232 4.568 4.350 -0.023 0.000 0.265 641 E C -0.542 176.061 176.600 0.005 0.000 0.911 641 E CA -0.952 55.469 56.400 0.034 0.000 0.789 641 E CB 0.739 30.466 29.700 0.045 0.000 1.246 641 E HN 0.656 nan 8.360 nan 0.000 0.427 642 N N 0.669 119.367 118.700 -0.004 0.000 2.727 642 N HA -0.236 4.491 4.740 -0.023 0.000 0.249 642 N C -0.273 175.206 175.510 -0.052 0.000 1.048 642 N CA 0.891 53.925 53.050 -0.027 0.000 0.714 642 N CB -1.177 37.290 38.487 -0.034 0.000 0.959 642 N HN 0.649 nan 8.380 nan 0.000 0.544 643 R N 0.738 121.219 120.500 -0.032 0.000 2.401 643 R HA 0.392 4.719 4.340 -0.023 0.000 0.299 643 R C 0.398 176.638 176.300 -0.101 0.000 1.064 643 R CA 0.021 56.090 56.100 -0.052 0.000 1.000 643 R CB 0.476 30.785 30.300 0.015 0.000 0.973 643 R HN 0.219 nan 8.270 nan 0.000 0.438 644 A N 4.522 127.196 122.820 -0.244 0.000 2.561 644 A HA -0.017 4.289 4.320 -0.023 0.000 0.251 644 A C -0.119 177.422 177.584 -0.071 0.000 1.062 644 A CA 0.493 52.328 52.037 -0.337 0.000 0.761 644 A CB 0.055 18.430 19.000 -1.042 0.000 0.986 644 A HN 0.874 nan 8.150 nan 0.000 0.510 645 E N 2.233 122.495 120.200 0.103 0.000 2.246 645 E HA 0.149 4.485 4.350 -0.023 0.000 0.266 645 E C 0.623 177.365 176.600 0.236 0.000 0.880 645 E CA -0.594 55.913 56.400 0.179 0.000 0.762 645 E CB 0.902 30.647 29.700 0.075 0.000 1.180 645 E HN 0.846 nan 8.360 nan 0.000 0.416 646 E N 2.674 123.010 120.200 0.227 0.000 2.446 646 E HA -0.365 3.971 4.350 -0.023 0.000 0.248 646 E C -0.333 176.083 176.600 -0.307 0.000 1.081 646 E CA 2.480 58.786 56.400 -0.157 0.000 1.143 646 E CB -0.056 29.637 29.700 -0.011 0.000 1.012 646 E HN 0.813 nan 8.360 nan 0.000 0.487 647 D N -2.450 117.874 120.400 -0.126 0.000 3.335 647 D HA -0.130 4.496 4.640 -0.023 0.000 0.254 647 D C 0.201 176.441 176.300 -0.100 0.000 1.055 647 D CA 0.823 54.760 54.000 -0.105 0.000 0.971 647 D CB -1.126 39.603 40.800 -0.118 0.000 0.990 647 D HN 0.320 nan 8.370 nan 0.000 0.423 648 A N 1.987 124.773 122.820 -0.056 0.000 1.872 648 A HA -0.040 4.266 4.320 -0.023 0.000 0.214 648 A C 2.553 180.122 177.584 -0.026 0.000 1.187 648 A CA 1.287 53.300 52.037 -0.040 0.000 0.614 648 A CB -0.327 18.665 19.000 -0.013 0.000 0.826 648 A HN 0.519 nan 8.150 nan 0.000 0.442 649 L N -1.988 119.234 121.223 -0.002 0.000 2.042 649 L HA -0.214 4.112 4.340 -0.023 0.000 0.210 649 L C 2.585 179.460 176.870 0.008 0.000 1.076 649 L CA 1.928 56.771 54.840 0.006 0.000 0.749 649 L CB -0.555 41.516 42.059 0.020 0.000 0.893 649 L HN 0.638 nan 8.230 nan 0.000 0.432 650 Y N 1.221 121.483 120.300 -0.063 0.000 2.114 650 Y HA -0.211 4.325 4.550 -0.023 0.000 0.284 650 Y C 2.423 178.280 175.900 -0.071 0.000 1.119 650 Y CA 1.612 59.674 58.100 -0.064 0.000 1.108 650 Y CB -0.320 38.096 38.460 -0.073 0.000 0.995 650 Y HN 0.164 nan 8.280 nan 0.000 0.491 651 N N 0.331 118.963 118.700 -0.113 0.000 2.396 651 N HA -0.194 4.533 4.740 -0.023 0.000 0.191 651 N C 1.716 177.140 175.510 -0.143 0.000 1.015 651 N CA 1.423 54.371 53.050 -0.169 0.000 0.893 651 N CB -0.729 37.636 38.487 -0.203 0.000 0.956 651 N HN 0.508 nan 8.380 nan 0.000 0.445 652 S N -0.561 115.055 115.700 -0.139 0.000 2.650 652 S HA 0.071 4.527 4.470 -0.023 0.000 0.219 652 S C 0.450 174.978 174.600 -0.120 0.000 0.960 652 S CA 0.036 58.181 58.200 -0.091 0.000 0.925 652 S CB -0.095 63.071 63.200 -0.057 0.000 0.775 652 S HN 0.316 nan 8.310 nan 0.000 0.525 653 K N 0.217 120.493 120.400 -0.207 0.000 2.076 653 K HA 0.151 4.457 4.320 -0.023 0.000 0.291 653 K C -3.386 172.981 176.600 -0.389 0.000 1.830 653 K CA -0.363 55.797 56.287 -0.213 0.000 0.842 653 K CB -0.715 31.707 32.500 -0.129 0.000 1.388 653 K HN 0.070 nan 8.250 nan 0.000 0.382 654 P HA 0.136 nan 4.420 nan 0.000 0.270 654 P C -0.077 177.033 177.300 -0.317 0.000 1.227 654 P CA -0.218 62.380 63.100 -0.836 0.000 0.788 654 P CB 0.876 32.377 31.700 -0.331 0.000 0.926 655 T N -1.589 112.962 114.554 -0.004 0.000 3.009 655 T HA 0.099 4.435 4.350 -0.023 0.000 0.267 655 T C 0.137 174.951 174.700 0.190 0.000 0.942 655 T CA 0.204 62.387 62.100 0.138 0.000 0.883 655 T CB -0.169 68.832 68.868 0.222 0.000 1.192 655 T HN 0.330 nan 8.240 nan 0.000 0.524 656 N N 2.100 120.976 118.700 0.293 0.000 2.518 656 N HA 0.308 5.034 4.740 -0.023 0.000 0.254 656 N C -2.530 173.084 175.510 0.173 0.000 0.979 656 N CA -2.019 51.147 53.050 0.193 0.000 0.930 656 N CB 2.195 40.778 38.487 0.160 0.000 1.152 656 N HN -0.098 nan 8.380 nan 0.000 0.505 657 P HA -0.032 nan 4.420 nan 0.000 0.229 657 P C 0.650 178.011 177.300 0.102 0.000 1.150 657 P CA 0.651 63.807 63.100 0.094 0.000 0.765 657 P CB 0.378 32.118 31.700 0.067 0.000 0.783 658 A N -0.672 122.213 122.820 0.108 0.000 1.903 658 A HA 0.046 4.352 4.320 -0.023 0.000 0.213 658 A C 0.918 178.579 177.584 0.129 0.000 1.185 658 A CA 0.923 53.022 52.037 0.104 0.000 0.628 658 A CB -0.645 18.406 19.000 0.086 0.000 0.830 658 A HN 0.180 nan 8.150 nan 0.000 0.446 659 I N -2.042 118.620 120.570 0.152 0.000 2.437 659 I HA 0.369 4.525 4.170 -0.023 0.000 0.279 659 I C 0.641 176.926 176.117 0.280 0.000 1.028 659 I CA -0.073 61.342 61.300 0.192 0.000 1.142 659 I CB 1.295 39.379 38.000 0.140 0.000 1.266 659 I HN -0.137 nan 8.210 nan 0.000 0.461 660 T N 3.319 118.024 114.554 0.252 0.000 3.067 660 T HA 0.037 4.373 4.350 -0.023 0.000 0.261 660 T C -0.434 174.457 174.700 0.318 0.000 1.110 660 T CA 1.427 63.668 62.100 0.234 0.000 1.113 660 T CB -0.135 68.822 68.868 0.148 0.000 0.917 660 T HN 0.492 nan 8.240 nan 0.000 0.499 661 Y N 1.443 121.841 120.300 0.165 0.000 2.475 661 Y HA 0.596 5.133 4.550 -0.022 0.000 0.343 661 Y C -0.363 175.543 175.900 0.011 0.000 1.068 661 Y CA -1.597 56.549 58.100 0.075 0.000 1.307 661 Y CB 0.214 38.698 38.460 0.040 0.000 1.097 661 Y HN 0.057 nan 8.280 nan 0.000 0.530 662 A N 3.980 126.679 122.820 -0.202 0.000 2.302 662 A HA 0.633 4.939 4.320 -0.023 0.000 0.285 662 A C -1.344 175.972 177.584 -0.447 0.000 1.105 662 A CA -0.021 51.905 52.037 -0.184 0.000 0.816 662 A CB 0.423 19.267 19.000 -0.260 0.000 1.067 662 A HN 0.728 nan 8.150 nan 0.000 0.489 663 Y N 0.097 120.402 120.300 0.009 0.000 2.782 663 Y HA 0.724 5.260 4.550 -0.023 0.000 0.329 663 Y C 0.352 176.235 175.900 -0.029 0.000 1.192 663 Y CA -0.471 57.636 58.100 0.011 0.000 1.216 663 Y CB 1.326 39.851 38.460 0.108 0.000 1.447 663 Y HN 0.673 nan 8.280 nan 0.000 0.616 664 K N -0.179 120.318 120.400 0.163 0.000 2.578 664 K HA 0.473 4.779 4.320 -0.023 0.000 0.263 664 K C -1.540 175.090 176.600 0.050 0.000 0.973 664 K CA -0.424 55.898 56.287 0.058 0.000 0.909 664 K CB 1.106 33.620 32.500 0.023 0.000 1.326 664 K HN 0.854 nan 8.250 nan 0.000 0.440 665 G N 5.146 113.957 108.800 0.018 0.000 2.319 665 G HA2 0.581 4.527 3.960 -0.023 0.000 0.308 665 G HA3 0.581 4.527 3.960 -0.023 0.000 0.308 665 G C -0.150 174.748 174.900 -0.003 0.000 1.117 665 G CA -0.713 44.382 45.100 -0.008 0.000 0.903 665 G HN 0.674 nan 8.290 nan 0.000 0.436 666 I N -1.375 119.192 120.570 -0.004 0.000 3.294 666 I HA 0.759 4.915 4.170 -0.023 0.000 0.311 666 I C -0.501 175.619 176.117 0.006 0.000 1.111 666 I CA -1.541 59.761 61.300 0.003 0.000 0.976 666 I CB 2.137 40.140 38.000 0.005 0.000 1.260 666 I HN 0.148 nan 8.210 nan 0.000 0.474 667 K N 1.052 121.457 120.400 0.008 0.000 2.166 667 K HA 0.875 5.181 4.320 -0.023 0.000 0.245 667 K C -1.060 175.546 176.600 0.009 0.000 0.967 667 K CA -0.973 55.322 56.287 0.013 0.000 0.863 667 K CB 2.022 34.526 32.500 0.007 0.000 1.107 667 K HN 0.860 nan 8.250 nan 0.000 0.436 668 A N 1.600 124.431 122.820 0.019 0.000 2.604 668 A HA 0.495 4.801 4.320 -0.023 0.000 0.295 668 A C -1.720 175.863 177.584 -0.001 0.000 1.067 668 A CA -0.716 51.327 52.037 0.009 0.000 0.683 668 A CB 1.615 20.638 19.000 0.038 0.000 1.281 668 A HN 0.614 nan 8.150 nan 0.000 0.407 669 K N 0.714 121.087 120.400 -0.045 0.000 2.397 669 K HA 0.641 4.947 4.320 -0.023 0.000 0.253 669 K C -1.213 175.379 176.600 -0.015 0.000 0.932 669 K CA -0.221 56.021 56.287 -0.075 0.000 0.795 669 K CB 1.927 34.317 32.500 -0.184 0.000 1.159 669 K HN 0.676 nan 8.250 nan 0.000 0.424 670 T N 3.904 118.501 114.554 0.071 0.000 2.767 670 T HA 0.339 4.675 4.350 -0.023 0.000 0.284 670 T C -0.846 173.876 174.700 0.038 0.000 0.973 670 T CA -0.523 61.610 62.100 0.054 0.000 0.996 670 T CB 0.800 69.769 68.868 0.168 0.000 0.927 670 T HN 0.395 nan 8.240 nan 0.000 0.456 671 K N 1.769 122.132 120.400 -0.063 0.000 2.207 671 K HA 0.794 5.100 4.320 -0.023 0.000 0.255 671 K C 0.070 176.467 176.600 -0.338 0.000 0.941 671 K CA -0.874 55.315 56.287 -0.163 0.000 0.825 671 K CB 2.178 34.677 32.500 -0.002 0.000 1.119 671 K HN 0.796 nan 8.250 nan 0.000 0.430 672 G N 1.156 109.522 108.800 -0.722 0.000 2.322 672 G HA2 0.402 4.348 3.960 -0.023 0.000 0.295 672 G HA3 0.402 4.348 3.960 -0.023 0.000 0.295 672 G C -2.243 172.027 174.900 -1.049 0.000 1.369 672 G CA -0.825 43.782 45.100 -0.821 0.000 0.821 672 G HN 0.543 nan 8.290 nan 0.000 0.536 673 Y N -1.894 118.270 120.300 -0.227 0.000 2.638 673 Y HA 0.889 5.426 4.550 -0.023 0.000 0.335 673 Y C -0.907 175.233 175.900 0.401 0.000 1.155 673 Y CA -1.426 56.744 58.100 0.116 0.000 1.046 673 Y CB 1.894 40.478 38.460 0.206 0.000 1.303 673 Y HN 0.736 nan 8.280 nan 0.000 0.460 674 E N 0.960 121.535 120.200 0.625 0.000 2.335 674 E HA 0.768 5.104 4.350 -0.023 0.000 0.280 674 E C -1.852 174.976 176.600 0.379 0.000 0.918 674 E CA -1.058 55.624 56.400 0.470 0.000 0.765 674 E CB 2.272 32.187 29.700 0.357 0.000 1.218 674 E HN 1.053 nan 8.360 nan 0.000 0.425 675 A N 3.658 126.681 122.820 0.340 0.000 2.355 675 A HA 0.727 5.033 4.320 -0.023 0.000 0.317 675 A C -1.072 176.630 177.584 0.196 0.000 1.094 675 A CA -0.564 51.620 52.037 0.244 0.000 0.764 675 A CB 1.095 20.221 19.000 0.211 0.000 1.230 675 A HN 0.621 nan 8.150 nan 0.000 0.448 676 E N 1.216 121.510 120.200 0.157 0.000 2.412 676 E HA 0.739 5.075 4.350 -0.023 0.000 0.279 676 E C -1.404 175.261 176.600 0.109 0.000 0.984 676 E CA -0.686 55.787 56.400 0.122 0.000 0.788 676 E CB 2.163 31.923 29.700 0.099 0.000 1.277 676 E HN 0.647 nan 8.360 nan 0.000 0.455 677 I N 0.536 121.155 120.570 0.083 0.000 2.913 677 I HA 0.607 4.763 4.170 -0.023 0.000 0.302 677 I C -1.935 174.217 176.117 0.060 0.000 1.246 677 I CA -0.307 61.032 61.300 0.066 0.000 1.010 677 I CB 2.163 40.176 38.000 0.022 0.000 1.259 677 I HN 0.825 nan 8.210 nan 0.000 0.434 678 S N 4.369 120.104 115.700 0.059 0.000 2.570 678 S HA 0.886 5.342 4.470 -0.023 0.000 0.286 678 S C -0.583 174.055 174.600 0.063 0.000 1.143 678 S CA 0.011 58.258 58.200 0.080 0.000 0.921 678 S CB 1.040 64.305 63.200 0.107 0.000 1.108 678 S HN 1.863 nan 8.310 nan 0.000 0.456 679 G N 1.844 110.669 108.800 0.042 0.000 2.225 679 G HA2 0.176 4.122 3.960 -0.023 0.000 0.203 679 G HA3 0.176 4.122 3.960 -0.023 0.000 0.203 679 G C -1.421 173.433 174.900 -0.076 0.000 1.335 679 G CA -0.299 44.800 45.100 -0.000 0.000 1.183 679 G HN 1.019 nan 8.290 nan 0.000 0.488 680 E N 0.441 120.605 120.200 -0.059 0.000 2.167 680 E HA 0.548 4.884 4.350 -0.023 0.000 0.284 680 E C 0.934 177.470 176.600 -0.106 0.000 1.016 680 E CA -0.542 55.818 56.400 -0.066 0.000 0.817 680 E CB 0.813 30.503 29.700 -0.016 0.000 1.080 680 E HN 0.387 nan 8.360 nan 0.000 0.397 681 L N 3.172 124.289 121.223 -0.178 0.000 2.249 681 L HA 0.299 4.626 4.340 -0.023 0.000 0.207 681 L C 0.646 177.496 176.870 -0.032 0.000 1.090 681 L CA 0.473 55.155 54.840 -0.264 0.000 0.802 681 L CB 0.206 41.805 42.059 -0.768 0.000 0.947 681 L HN 0.554 nan 8.230 nan 0.000 0.453 682 A N -2.105 120.795 122.820 0.132 0.000 2.608 682 A HA 0.473 4.779 4.320 -0.023 0.000 0.292 682 A C -2.304 175.400 177.584 0.199 0.000 1.066 682 A CA -0.858 51.310 52.037 0.217 0.000 0.676 682 A CB 0.410 19.646 19.000 0.393 0.000 1.277 682 A HN -0.216 nan 8.150 nan 0.000 0.413 683 P HA -0.231 nan 4.420 nan 0.000 0.219 683 P C 1.407 178.747 177.300 0.065 0.000 1.159 683 P CA 2.895 66.046 63.100 0.085 0.000 0.944 683 P CB 0.181 31.917 31.700 0.061 0.000 0.792 684 G N -3.915 104.917 108.800 0.052 0.000 3.181 684 G HA2 -0.022 3.924 3.960 -0.023 0.000 0.219 684 G HA3 -0.022 3.924 3.960 -0.023 0.000 0.219 684 G C -0.659 174.270 174.900 0.048 0.000 1.182 684 G CA -0.208 44.824 45.100 -0.113 0.000 0.791 684 G HN 0.172 nan 8.290 nan 0.000 0.537 685 W N 1.383 122.689 121.300 0.010 0.000 2.471 685 W HA 0.610 5.256 4.660 -0.023 0.000 0.318 685 W C -0.879 175.623 176.519 -0.028 0.000 1.034 685 W CA -1.573 55.833 57.345 0.102 0.000 1.224 685 W CB 1.299 30.867 29.460 0.180 0.000 1.335 685 W HN -0.138 nan 8.180 nan 0.000 0.452 686 Q N 4.444 124.313 119.800 0.115 0.000 2.365 686 Q HA 0.629 4.955 4.340 -0.023 0.000 0.269 686 Q C -0.575 175.367 176.000 -0.096 0.000 1.061 686 Q CA -0.780 54.893 55.803 -0.217 0.000 0.816 686 Q CB 2.646 30.962 28.738 -0.703 0.000 1.325 686 Q HN 0.447 nan 8.270 nan 0.000 0.446 687 V N -0.773 119.111 119.914 -0.051 0.000 3.040 687 V HA 0.717 4.824 4.120 -0.023 0.000 0.312 687 V C -1.013 175.255 176.094 0.291 0.000 1.115 687 V CA -0.940 61.450 62.300 0.150 0.000 0.998 687 V CB 2.334 34.129 31.823 -0.047 0.000 1.042 687 V HN 0.781 nan 8.190 nan 0.000 0.433 688 Q N 1.223 121.201 119.800 0.296 0.000 2.274 688 Q HA 0.819 5.146 4.340 -0.023 0.000 0.268 688 Q C -1.115 174.952 176.000 0.112 0.000 1.015 688 Q CA -0.376 55.532 55.803 0.174 0.000 0.775 688 Q CB 2.029 30.848 28.738 0.135 0.000 1.256 688 Q HN 1.544 nan 8.270 nan 0.000 0.442 689 A N 2.223 125.087 122.820 0.072 0.000 2.515 689 A HA 0.969 5.275 4.320 -0.023 0.000 0.298 689 A C -0.981 176.641 177.584 0.065 0.000 1.059 689 A CA -0.125 51.941 52.037 0.049 0.000 0.698 689 A CB 2.031 21.049 19.000 0.031 0.000 1.289 689 A HN 0.760 nan 8.150 nan 0.000 0.404 690 G N -0.737 108.104 108.800 0.067 0.000 2.696 690 G HA2 0.587 4.533 3.960 -0.023 0.000 0.295 690 G HA3 0.587 4.533 3.960 -0.023 0.000 0.295 690 G C -1.996 172.991 174.900 0.146 0.000 1.398 690 G CA -0.416 44.743 45.100 0.098 0.000 0.920 690 G HN 1.142 nan 8.290 nan 0.000 0.492 691 Y N 0.790 121.139 120.300 0.081 0.000 2.373 691 Y HA 0.640 5.176 4.550 -0.023 0.000 0.336 691 Y C -0.582 175.394 175.900 0.128 0.000 0.979 691 Y CA -0.561 57.600 58.100 0.102 0.000 1.080 691 Y CB 2.293 40.826 38.460 0.122 0.000 1.190 691 Y HN 0.556 nan 8.280 nan 0.000 0.446 692 T N 4.978 119.434 114.554 -0.164 0.000 2.848 692 T HA 0.224 4.560 4.350 -0.023 0.000 0.285 692 T C -1.750 172.887 174.700 -0.105 0.000 0.995 692 T CA -0.544 61.557 62.100 0.003 0.000 0.970 692 T CB 0.811 69.657 68.868 -0.037 0.000 0.976 692 T HN 0.652 nan 8.240 nan 0.000 0.441 693 H N 2.484 121.450 119.070 -0.175 0.000 2.466 693 H HA 0.670 5.213 4.556 -0.023 0.000 0.338 693 H C -0.607 174.553 175.328 -0.280 0.000 1.091 693 H CA -0.691 55.159 56.048 -0.330 0.000 1.207 693 H CB 0.801 30.139 29.762 -0.707 0.000 1.466 693 H HN 0.581 nan 8.280 nan 0.000 0.493 694 K N 4.397 124.291 120.400 -0.844 0.000 2.502 694 K HA 0.531 4.838 4.320 -0.023 0.000 0.257 694 K C -1.943 174.300 176.600 -0.594 0.000 0.938 694 K CA -0.654 55.272 56.287 -0.600 0.000 0.819 694 K CB 1.388 33.730 32.500 -0.263 0.000 1.333 694 K HN 0.517 nan 8.250 nan 0.000 0.434 695 I N 3.403 123.749 120.570 -0.372 0.000 2.512 695 I HA 0.402 4.559 4.170 -0.023 0.000 0.287 695 I C -0.963 175.052 176.117 -0.170 0.000 1.069 695 I CA -0.998 60.170 61.300 -0.220 0.000 1.056 695 I CB 1.868 39.805 38.000 -0.105 0.000 1.229 695 I HN 0.711 nan 8.210 nan 0.000 0.429 696 I N 6.811 127.264 120.570 -0.195 0.000 2.312 696 I HA 0.454 4.610 4.170 -0.023 0.000 0.290 696 I C -0.463 175.572 176.117 -0.137 0.000 1.008 696 I CA -0.292 60.900 61.300 -0.179 0.000 1.226 696 I CB 0.444 38.271 38.000 -0.288 0.000 1.371 696 I HN 0.622 nan 8.210 nan 0.000 0.468 697 R N 4.595 125.041 120.500 -0.090 0.000 2.732 697 R HA 0.392 4.718 4.340 -0.023 0.000 0.278 697 R C -1.120 175.147 176.300 -0.055 0.000 0.976 697 R CA -0.826 55.236 56.100 -0.063 0.000 0.963 697 R CB 1.411 31.688 30.300 -0.040 0.000 1.150 697 R HN 0.639 nan 8.270 nan 0.000 0.478 698 D N 0.023 120.398 120.400 -0.041 0.000 2.225 698 D HA 0.007 4.634 4.640 -0.023 0.000 0.249 698 D C 0.403 176.687 176.300 -0.026 0.000 1.052 698 D CA -0.671 53.312 54.000 -0.028 0.000 0.909 698 D CB 0.883 41.672 40.800 -0.019 0.000 1.186 698 D HN 0.540 nan 8.370 nan 0.000 0.431 699 D N 1.535 121.920 120.400 -0.025 0.000 2.382 699 D HA -0.398 4.228 4.640 -0.023 0.000 0.194 699 D C 1.584 177.873 176.300 -0.018 0.000 1.026 699 D CA 2.088 56.074 54.000 -0.023 0.000 0.913 699 D CB -0.949 39.841 40.800 -0.016 0.000 0.894 699 D HN 0.469 nan 8.370 nan 0.000 0.453 700 S N -1.031 114.660 115.700 -0.015 0.000 2.453 700 S HA 0.183 4.639 4.470 -0.023 0.000 0.231 700 S C 1.928 176.521 174.600 -0.011 0.000 1.005 700 S CA 1.346 59.539 58.200 -0.012 0.000 0.949 700 S CB -0.005 63.188 63.200 -0.012 0.000 0.774 700 S HN 0.735 nan 8.310 nan 0.000 0.510 701 G N 1.156 109.948 108.800 -0.013 0.000 2.231 701 G HA2 -0.212 3.734 3.960 -0.023 0.000 0.206 701 G HA3 -0.212 3.734 3.960 -0.023 0.000 0.206 701 G C -0.060 174.838 174.900 -0.003 0.000 0.996 701 G CA -0.094 45.001 45.100 -0.009 0.000 0.645 701 G HN 0.938 nan 8.290 nan 0.000 0.498 702 K N 1.578 121.975 120.400 -0.006 0.000 2.249 702 K HA 0.646 4.952 4.320 -0.023 0.000 0.280 702 K C 0.328 176.928 176.600 0.000 0.000 1.033 702 K CA -0.677 55.613 56.287 0.006 0.000 0.946 702 K CB 1.128 33.628 32.500 0.001 0.000 1.005 702 K HN 0.125 nan 8.250 nan 0.000 0.469 703 K N 1.667 122.086 120.400 0.031 0.000 2.518 703 K HA 0.055 4.361 4.320 -0.023 0.000 0.276 703 K C -0.516 176.050 176.600 -0.056 0.000 0.974 703 K CA -0.055 56.235 56.287 0.004 0.000 0.986 703 K CB 0.770 33.333 32.500 0.105 0.000 0.901 703 K HN 0.378 nan 8.250 nan 0.000 0.497 704 V N 0.914 120.745 119.914 -0.138 0.000 3.159 704 V HA 0.090 4.196 4.120 -0.023 0.000 0.308 704 V C -0.637 175.297 176.094 -0.266 0.000 1.190 704 V CA -0.710 61.492 62.300 -0.163 0.000 1.037 704 V CB 2.212 33.958 31.823 -0.128 0.000 1.060 704 V HN 0.981 nan 8.190 nan 0.000 0.437 705 S N 0.482 116.033 115.700 -0.247 0.000 3.491 705 S HA -0.202 4.254 4.470 -0.023 0.000 0.371 705 S C 1.131 175.449 174.600 -0.469 0.000 0.980 705 S CA 1.088 59.079 58.200 -0.348 0.000 1.204 705 S CB -1.575 61.333 63.200 -0.487 0.000 0.915 705 S HN 1.374 nan 8.310 nan 0.000 0.482 706 T N -3.021 111.243 114.554 -0.484 0.000 3.163 706 T HA -0.040 4.296 4.350 -0.023 0.000 0.260 706 T C 0.911 175.206 174.700 -0.674 0.000 1.156 706 T CA 0.560 62.130 62.100 -0.884 0.000 1.072 706 T CB -0.377 67.631 68.868 -1.433 0.000 0.937 706 T HN 0.793 nan 8.240 nan 0.000 0.528 707 W N 1.499 122.489 121.300 -0.517 0.000 2.942 707 W HA 0.314 4.961 4.660 -0.023 0.000 0.263 707 W C 0.404 176.738 176.519 -0.309 0.000 1.296 707 W CA -0.425 56.744 57.345 -0.292 0.000 1.504 707 W CB 0.247 29.653 29.460 -0.091 0.000 1.096 707 W HN 0.323 nan 8.180 nan 0.000 0.639 708 E N 2.854 122.699 120.200 -0.592 0.000 2.316 708 E HA 0.092 4.429 4.350 -0.023 0.000 0.275 708 E C -2.121 174.153 176.600 -0.543 0.000 1.029 708 E CA -1.940 54.050 56.400 -0.684 0.000 0.871 708 E CB 1.217 30.352 29.700 -0.942 0.000 1.022 708 E HN -0.199 nan 8.360 nan 0.000 0.418 709 P HA 0.036 nan 4.420 nan 0.000 0.276 709 P C -0.330 176.766 177.300 -0.340 0.000 1.261 709 P CA 0.047 62.901 63.100 -0.411 0.000 0.800 709 P CB 0.732 32.146 31.700 -0.476 0.000 1.066 710 Q N -0.615 119.046 119.800 -0.231 0.000 2.408 710 Q HA 0.109 4.435 4.340 -0.023 0.000 0.205 710 Q C -0.317 175.596 176.000 -0.145 0.000 0.919 710 Q CA 0.797 56.484 55.803 -0.193 0.000 0.932 710 Q CB 0.379 29.090 28.738 -0.045 0.000 1.058 710 Q HN 0.511 nan 8.270 nan 0.000 0.517 711 D N 0.668 120.968 120.400 -0.165 0.000 2.990 711 D HA 0.181 4.807 4.640 -0.023 0.000 0.227 711 D C -0.902 175.170 176.300 -0.379 0.000 1.249 711 D CA -0.134 53.788 54.000 -0.129 0.000 0.891 711 D CB 1.771 42.693 40.800 0.203 0.000 1.647 711 D HN 0.065 nan 8.370 nan 0.000 0.530 712 Q N 0.503 120.029 119.800 -0.456 0.000 2.534 712 Q HA 0.769 5.095 4.340 -0.023 0.000 0.290 712 Q C -1.856 173.877 176.000 -0.443 0.000 0.991 712 Q CA -1.183 54.353 55.803 -0.445 0.000 0.783 712 Q CB 2.776 31.274 28.738 -0.401 0.000 1.470 712 Q HN 0.273 nan 8.270 nan 0.000 0.406 713 L N -0.122 120.959 121.223 -0.238 0.000 2.611 713 L HA 0.705 5.031 4.340 -0.023 0.000 0.260 713 L C -1.930 174.880 176.870 -0.100 0.000 0.924 713 L CA 0.117 54.888 54.840 -0.115 0.000 0.901 713 L CB 2.597 44.672 42.059 0.027 0.000 1.369 713 L HN 0.762 nan 8.230 nan 0.000 0.415 714 S N 4.728 120.387 115.700 -0.069 0.000 2.526 714 S HA 0.897 5.354 4.470 -0.023 0.000 0.293 714 S C -1.433 173.091 174.600 -0.127 0.000 1.092 714 S CA -0.549 57.581 58.200 -0.117 0.000 0.980 714 S CB 1.847 65.026 63.200 -0.035 0.000 1.048 714 S HN 0.814 nan 8.310 nan 0.000 0.483 715 L N 3.370 124.391 121.223 -0.336 0.000 2.562 715 L HA 0.603 4.930 4.340 -0.023 0.000 0.266 715 L C -2.203 174.330 176.870 -0.560 0.000 0.949 715 L CA -0.469 54.220 54.840 -0.253 0.000 0.879 715 L CB 0.985 42.986 42.059 -0.097 0.000 1.278 715 L HN 0.710 nan 8.230 nan 0.000 0.404 716 Y N 2.395 122.653 120.300 -0.069 0.000 2.524 716 Y HA 0.797 5.334 4.550 -0.023 0.000 0.344 716 Y C 0.144 176.174 175.900 0.217 0.000 1.012 716 Y CA -0.600 57.448 58.100 -0.087 0.000 1.068 716 Y CB 2.617 40.739 38.460 -0.562 0.000 1.249 716 Y HN 0.485 nan 8.280 nan 0.000 0.468 717 T N 1.308 116.241 114.554 0.632 0.000 3.047 717 T HA 0.585 4.921 4.350 -0.023 0.000 0.340 717 T C -1.556 173.559 174.700 0.691 0.000 1.421 717 T CA -0.705 61.773 62.100 0.631 0.000 1.090 717 T CB 0.635 69.766 68.868 0.439 0.000 1.292 717 T HN 0.768 nan 8.240 nan 0.000 0.480 718 S N 3.038 119.085 115.700 0.578 0.000 2.599 718 S HA 0.845 5.301 4.470 -0.023 0.000 0.287 718 S C -1.689 173.125 174.600 0.355 0.000 1.105 718 S CA -0.841 57.585 58.200 0.376 0.000 0.899 718 S CB 1.960 65.321 63.200 0.269 0.000 1.100 718 S HN 0.782 nan 8.310 nan 0.000 0.482 719 Y N 0.711 121.033 120.300 0.037 0.000 2.442 719 Y HA 0.596 5.132 4.550 -0.023 0.000 0.344 719 Y C -0.827 174.951 175.900 -0.203 0.000 0.976 719 Y CA -0.801 57.209 58.100 -0.151 0.000 1.040 719 Y CB 1.708 39.889 38.460 -0.466 0.000 1.228 719 Y HN 0.842 nan 8.280 nan 0.000 0.451 720 K N 6.633 126.545 120.400 -0.814 0.000 2.339 720 K HA 0.334 4.640 4.320 -0.023 0.000 0.264 720 K C -1.336 174.733 176.600 -0.885 0.000 0.986 720 K CA -0.527 55.423 56.287 -0.560 0.000 0.866 720 K CB 0.488 32.799 32.500 -0.316 0.000 1.103 720 K HN 0.639 nan 8.250 nan 0.000 0.441 721 F N 2.513 122.193 119.950 -0.451 0.000 2.506 721 F HA 0.087 4.600 4.527 -0.023 0.000 0.351 721 F C 1.087 176.777 175.800 -0.183 0.000 1.136 721 F CA 0.096 57.946 58.000 -0.250 0.000 1.298 721 F CB 0.460 39.443 39.000 -0.029 0.000 1.145 721 F HN 0.365 nan 8.300 nan 0.000 0.593 722 K N 0.949 121.389 120.400 0.067 0.000 2.210 722 K HA 0.742 5.048 4.320 -0.023 0.000 0.236 722 K C 0.386 177.036 176.600 0.083 0.000 1.016 722 K CA 0.347 56.662 56.287 0.045 0.000 0.913 722 K CB 1.184 33.692 32.500 0.013 0.000 1.141 722 K HN 0.770 nan 8.250 nan 0.000 0.462 723 G N 0.173 109.001 108.800 0.046 0.000 2.512 723 G HA2 -0.255 3.691 3.960 -0.023 0.000 0.240 723 G HA3 -0.255 3.691 3.960 -0.023 0.000 0.240 723 G C 0.715 175.632 174.900 0.029 0.000 1.246 723 G CA 0.381 45.505 45.100 0.040 0.000 0.919 723 G HN 0.900 nan 8.290 nan 0.000 0.577 724 A N -0.705 122.129 122.820 0.023 0.000 2.076 724 A HA 0.246 4.553 4.320 -0.023 0.000 0.220 724 A C 2.268 179.863 177.584 0.018 0.000 1.160 724 A CA 2.122 54.168 52.037 0.015 0.000 0.653 724 A CB -0.336 18.667 19.000 0.006 0.000 0.801 724 A HN 1.052 nan 8.150 nan 0.000 0.455 725 L N 0.233 121.463 121.223 0.011 0.000 2.685 725 L HA 0.053 4.380 4.340 -0.023 0.000 0.233 725 L C 1.097 177.999 176.870 0.054 0.000 1.173 725 L CA 0.358 55.197 54.840 -0.001 0.000 0.961 725 L CB -0.086 41.851 42.059 -0.202 0.000 1.217 725 L HN 0.436 nan 8.230 nan 0.000 0.478 726 D N -0.114 120.301 120.400 0.026 0.000 2.392 726 D HA -0.194 4.432 4.640 -0.023 0.000 0.228 726 D C 1.335 177.585 176.300 -0.084 0.000 1.003 726 D CA 0.924 54.921 54.000 -0.006 0.000 0.917 726 D CB 0.062 40.851 40.800 -0.017 0.000 0.890 726 D HN 0.194 nan 8.370 nan 0.000 0.532 727 K N -0.892 119.404 120.400 -0.174 0.000 2.358 727 K HA 0.202 4.508 4.320 -0.023 0.000 0.197 727 K C -0.129 176.165 176.600 -0.509 0.000 1.025 727 K CA -0.477 55.553 56.287 -0.428 0.000 1.104 727 K CB 0.608 32.718 32.500 -0.650 0.000 0.855 727 K HN 0.087 nan 8.250 nan 0.000 0.531 728 L N 0.964 122.112 121.223 -0.125 0.000 2.282 728 L HA 0.304 4.631 4.340 -0.023 0.000 0.288 728 L C -0.887 176.089 176.870 0.177 0.000 1.033 728 L CA 0.230 55.151 54.840 0.134 0.000 0.807 728 L CB 1.734 43.957 42.059 0.273 0.000 1.209 728 L HN -0.183 nan 8.230 nan 0.000 0.423 729 T N 4.550 119.179 114.554 0.125 0.000 2.779 729 T HA 0.581 4.917 4.350 -0.023 0.000 0.280 729 T C -0.694 174.085 174.700 0.131 0.000 0.987 729 T CA -0.272 61.880 62.100 0.086 0.000 0.966 729 T CB 1.527 70.399 68.868 0.006 0.000 0.933 729 T HN 0.419 nan 8.240 nan 0.000 0.442 730 V N 2.314 122.318 119.914 0.151 0.000 2.881 730 V HA 0.998 5.104 4.120 -0.023 0.000 0.316 730 V C 0.259 176.430 176.094 0.129 0.000 1.070 730 V CA -0.071 62.328 62.300 0.166 0.000 0.976 730 V CB 2.022 34.023 31.823 0.296 0.000 1.038 730 V HN 1.091 nan 8.190 nan 0.000 0.446 731 G N 1.512 110.384 108.800 0.120 0.000 2.556 731 G HA2 0.656 4.602 3.960 -0.023 0.000 0.294 731 G HA3 0.656 4.602 3.960 -0.023 0.000 0.294 731 G C -0.791 174.252 174.900 0.238 0.000 1.516 731 G CA 0.179 45.387 45.100 0.180 0.000 0.824 731 G HN 1.196 nan 8.290 nan 0.000 0.535 732 G N -1.481 107.561 108.800 0.403 0.000 2.782 732 G HA2 1.099 5.045 3.960 -0.023 0.000 0.304 732 G HA3 1.099 5.045 3.960 -0.023 0.000 0.304 732 G C -0.293 174.919 174.900 0.520 0.000 1.315 732 G CA 0.033 45.402 45.100 0.448 0.000 0.791 732 G HN 1.945 nan 8.290 nan 0.000 0.519 733 G N -2.197 106.778 108.800 0.293 0.000 2.523 733 G HA2 0.809 4.755 3.960 -0.023 0.000 0.291 733 G HA3 0.809 4.755 3.960 -0.023 0.000 0.291 733 G C -1.514 173.256 174.900 -0.218 0.000 1.450 733 G CA 0.441 45.464 45.100 -0.128 0.000 0.790 733 G HN 1.953 nan 8.290 nan 0.000 0.496 734 A N -0.203 122.306 122.820 -0.519 0.000 2.547 734 A HA 0.901 5.207 4.320 -0.023 0.000 0.297 734 A C -0.927 176.526 177.584 -0.218 0.000 1.056 734 A CA -0.654 51.300 52.037 -0.139 0.000 0.688 734 A CB 2.290 21.371 19.000 0.136 0.000 1.282 734 A HN 1.469 nan 8.150 nan 0.000 0.400 735 R N 1.091 121.563 120.500 -0.047 0.000 2.532 735 R HA 0.646 4.972 4.340 -0.023 0.000 0.297 735 R C -1.882 174.326 176.300 -0.152 0.000 0.984 735 R CA -0.427 55.596 56.100 -0.129 0.000 0.884 735 R CB 0.883 31.102 30.300 -0.135 0.000 1.182 735 R HN 0.976 nan 8.270 nan 0.000 0.442 736 W N 5.628 126.583 121.300 -0.576 0.000 2.761 736 W HA 0.515 5.162 4.660 -0.022 0.000 0.340 736 W C -1.372 174.663 176.519 -0.807 0.000 1.072 736 W CA -0.424 56.323 57.345 -0.997 0.000 1.215 736 W CB 1.669 29.974 29.460 -1.924 0.000 1.420 736 W HN 0.756 nan 8.180 nan 0.000 0.519 737 Q N 4.052 122.622 119.800 -2.050 0.000 2.416 737 Q HA 0.714 5.040 4.340 -0.023 0.000 0.281 737 Q C -0.257 174.370 176.000 -2.288 0.000 1.067 737 Q CA -1.144 53.494 55.803 -1.942 0.000 0.809 737 Q CB 1.886 29.963 28.738 -1.102 0.000 1.418 737 Q HN 0.661 nan 8.270 nan 0.000 0.411 738 G N 1.244 109.073 108.800 -1.618 0.000 2.588 738 G HA2 0.299 4.245 3.960 -0.023 0.000 0.278 738 G HA3 0.299 4.245 3.960 -0.023 0.000 0.278 738 G C -0.676 173.998 174.900 -0.377 0.000 1.307 738 G CA -0.837 43.789 45.100 -0.789 0.000 1.016 738 G HN 0.494 nan 8.290 nan 0.000 0.503 739 K N -0.263 120.085 120.400 -0.086 0.000 2.578 739 K HA 0.173 4.479 4.320 -0.023 0.000 0.279 739 K C 0.305 176.965 176.600 0.100 0.000 0.983 739 K CA 0.817 57.146 56.287 0.069 0.000 1.078 739 K CB 0.215 32.807 32.500 0.153 0.000 0.852 739 K HN 0.609 nan 8.250 nan 0.000 0.490 740 S N 1.277 117.063 115.700 0.143 0.000 2.546 740 S HA 0.807 5.263 4.470 -0.023 0.000 0.274 740 S C -1.408 173.501 174.600 0.514 0.000 1.121 740 S CA -1.300 56.975 58.200 0.125 0.000 0.887 740 S CB 0.991 63.928 63.200 -0.439 0.000 1.094 740 S HN 0.735 nan 8.310 nan 0.000 0.474 741 W N 0.187 121.638 121.300 0.251 0.000 3.047 741 W HA 0.830 5.476 4.660 -0.023 0.000 0.341 741 W C -1.485 175.262 176.519 0.381 0.000 1.225 741 W CA -0.826 56.733 57.345 0.357 0.000 1.150 741 W CB 1.002 30.586 29.460 0.205 0.000 1.470 741 W HN 0.561 nan 8.180 nan 0.000 0.578 742 Q N 1.941 122.039 119.800 0.497 0.000 2.397 742 Q HA 0.441 4.767 4.340 -0.023 0.000 0.275 742 Q C -0.848 175.390 176.000 0.398 0.000 1.090 742 Q CA -1.047 54.922 55.803 0.278 0.000 0.809 742 Q CB 2.650 31.421 28.738 0.054 0.000 1.362 742 Q HN 0.543 nan 8.270 nan 0.000 0.431 743 M N 2.274 122.089 119.600 0.358 0.000 2.129 743 M HA 0.425 4.892 4.480 -0.023 0.000 0.348 743 M C -0.145 176.526 176.300 0.619 0.000 1.116 743 M CA -0.716 54.875 55.300 0.485 0.000 1.022 743 M CB 0.823 33.626 32.600 0.337 0.000 1.599 743 M HN 0.435 nan 8.290 nan 0.000 0.449 744 V N 4.286 124.552 119.914 0.586 0.000 2.962 744 V HA 0.575 4.681 4.120 -0.023 0.000 0.313 744 V C -2.064 174.077 176.094 0.080 0.000 1.099 744 V CA -0.715 61.773 62.300 0.314 0.000 0.971 744 V CB 2.670 34.563 31.823 0.118 0.000 1.028 744 V HN 0.763 nan 8.190 nan 0.000 0.430 745 Y N 4.774 124.792 120.300 -0.469 0.000 2.404 745 Y HA 0.476 5.012 4.550 -0.023 0.000 0.344 745 Y C 0.492 176.050 175.900 -0.570 0.000 0.970 745 Y CA -0.327 57.264 58.100 -0.849 0.000 1.180 745 Y CB 0.822 38.590 38.460 -1.154 0.000 1.138 745 Y HN 0.881 nan 8.280 nan 0.000 0.510 746 N N 4.979 123.056 118.700 -1.038 0.000 2.402 746 N HA -0.077 4.649 4.740 -0.023 0.000 0.259 746 N C 0.481 175.365 175.510 -1.044 0.000 1.167 746 N CA 0.381 52.620 53.050 -1.351 0.000 0.949 746 N CB 0.278 37.959 38.487 -1.343 0.000 1.212 746 N HN 0.914 nan 8.380 nan 0.000 0.493 747 N N 4.675 123.010 118.700 -0.609 0.000 2.300 747 N HA 0.081 4.808 4.740 -0.023 0.000 0.179 747 N C -1.265 174.087 175.510 -0.263 0.000 1.016 747 N CA 0.622 53.531 53.050 -0.235 0.000 0.876 747 N CB -0.309 38.153 38.487 -0.041 0.000 0.979 747 N HN 0.431 nan 8.380 nan 0.000 0.432 748 P HA 0.016 nan 4.420 nan 0.000 0.230 748 P C 0.191 177.346 177.300 -0.242 0.000 1.158 748 P CA 1.070 64.017 63.100 -0.255 0.000 0.769 748 P CB 0.197 31.749 31.700 -0.247 0.000 0.807 749 R N -2.343 117.961 120.500 -0.326 0.000 2.531 749 R HA 0.250 4.576 4.340 -0.023 0.000 0.316 749 R C 0.144 176.274 176.300 -0.283 0.000 0.955 749 R CA 0.086 56.027 56.100 -0.264 0.000 1.120 749 R CB 0.200 30.347 30.300 -0.255 0.000 1.361 749 R HN -0.160 nan 8.270 nan 0.000 0.534 750 S N 1.427 116.897 115.700 -0.383 0.000 3.749 750 S HA -0.193 4.263 4.470 -0.023 0.000 0.348 750 S C -0.380 173.989 174.600 -0.385 0.000 1.045 750 S CA 1.209 59.224 58.200 -0.308 0.000 1.051 750 S CB -1.363 61.791 63.200 -0.077 0.000 0.898 750 S HN 0.604 nan 8.310 nan 0.000 0.472 751 R N -1.737 118.345 120.500 -0.697 0.000 2.740 751 R HA 0.654 4.981 4.340 -0.023 0.000 0.273 751 R C -1.158 174.795 176.300 -0.578 0.000 0.998 751 R CA -1.143 54.711 56.100 -0.411 0.000 0.900 751 R CB 0.681 30.866 30.300 -0.192 0.000 1.223 751 R HN 0.135 nan 8.270 nan 0.000 0.466 752 W N 1.413 122.585 121.300 -0.214 0.000 2.202 752 W HA 0.288 4.935 4.660 -0.023 0.000 0.332 752 W C 0.209 176.722 176.519 -0.010 0.000 1.263 752 W CA 0.126 57.437 57.345 -0.057 0.000 1.223 752 W CB 0.914 30.427 29.460 0.088 0.000 1.128 752 W HN 0.417 nan 8.180 nan 0.000 0.573 753 E N 1.583 121.984 120.200 0.335 0.000 2.312 753 E HA 0.264 4.600 4.350 -0.023 0.000 0.267 753 E C -1.168 175.644 176.600 0.353 0.000 0.894 753 E CA -1.393 55.172 56.400 0.275 0.000 0.773 753 E CB 2.368 32.238 29.700 0.283 0.000 1.241 753 E HN 0.216 nan 8.360 nan 0.000 0.432 754 K N 2.286 122.807 120.400 0.203 0.000 2.248 754 K HA 0.306 4.612 4.320 -0.023 0.000 0.281 754 K C -1.383 175.313 176.600 0.161 0.000 1.054 754 K CA -0.308 56.116 56.287 0.228 0.000 0.903 754 K CB 0.441 32.999 32.500 0.098 0.000 1.077 754 K HN 0.285 nan 8.250 nan 0.000 0.474 755 F N 2.048 122.105 119.950 0.179 0.000 2.411 755 F HA 0.289 4.802 4.527 -0.022 0.000 0.352 755 F C 0.080 176.025 175.800 0.241 0.000 1.123 755 F CA -0.216 57.856 58.000 0.122 0.000 1.044 755 F CB 1.985 40.987 39.000 0.003 0.000 1.135 755 F HN 0.384 nan 8.300 nan 0.000 0.461 756 S N 2.177 118.071 115.700 0.323 0.000 2.593 756 S HA 0.513 4.969 4.470 -0.023 0.000 0.297 756 S C -0.899 173.921 174.600 0.367 0.000 1.112 756 S CA -0.748 57.660 58.200 0.347 0.000 1.043 756 S CB 1.749 65.061 63.200 0.186 0.000 1.054 756 S HN 0.513 nan 8.310 nan 0.000 0.516 757 Q N 2.021 122.041 119.800 0.366 0.000 2.339 757 Q HA 0.269 4.595 4.340 -0.023 0.000 0.268 757 Q C -0.655 175.471 176.000 0.210 0.000 1.027 757 Q CA -0.317 55.667 55.803 0.302 0.000 0.759 757 Q CB 0.682 29.574 28.738 0.257 0.000 1.244 757 Q HN 0.529 nan 8.270 nan 0.000 0.464 758 E N 2.676 122.998 120.200 0.203 0.000 2.436 758 E HA -0.037 4.299 4.350 -0.023 0.000 0.262 758 E C -0.369 176.345 176.600 0.191 0.000 1.063 758 E CA 0.316 56.821 56.400 0.174 0.000 0.944 758 E CB 0.528 30.332 29.700 0.173 0.000 0.950 758 E HN 0.850 nan 8.360 nan 0.000 0.444 759 D N 1.918 122.386 120.400 0.113 0.000 2.478 759 D HA -0.105 4.521 4.640 -0.023 0.000 0.234 759 D C -0.301 176.063 176.300 0.107 0.000 1.154 759 D CA 0.606 54.571 54.000 -0.058 0.000 0.874 759 D CB 0.122 40.967 40.800 0.075 0.000 1.198 759 D HN 0.329 nan 8.370 nan 0.000 0.455 760 Y N -2.487 117.620 120.300 -0.322 0.000 2.552 760 Y HA 0.571 5.107 4.550 -0.023 0.000 0.337 760 Y C -1.794 174.009 175.900 -0.162 0.000 1.094 760 Y CA -1.875 56.170 58.100 -0.091 0.000 1.028 760 Y CB 0.429 38.849 38.460 -0.066 0.000 1.321 760 Y HN 0.304 nan 8.280 nan 0.000 0.456 761 W N 3.280 124.645 121.300 0.108 0.000 2.381 761 W HA 0.753 5.399 4.660 -0.023 0.000 0.329 761 W C -1.029 175.527 176.519 0.062 0.000 1.157 761 W CA -0.727 56.654 57.345 0.061 0.000 1.240 761 W CB 1.429 30.969 29.460 0.133 0.000 1.199 761 W HN 0.470 nan 8.180 nan 0.000 0.579 762 L N 3.094 124.448 121.223 0.219 0.000 2.341 762 L HA 0.627 4.953 4.340 -0.023 0.000 0.278 762 L C -0.509 176.510 176.870 0.248 0.000 1.005 762 L CA -1.196 53.776 54.840 0.220 0.000 0.818 762 L CB 1.285 43.405 42.059 0.103 0.000 1.259 762 L HN 0.041 nan 8.230 nan 0.000 0.418 763 V N 1.571 121.653 119.914 0.279 0.000 2.581 763 V HA 0.493 4.599 4.120 -0.023 0.000 0.303 763 V C -0.805 175.408 176.094 0.200 0.000 1.041 763 V CA -0.592 61.852 62.300 0.241 0.000 0.907 763 V CB 2.149 34.169 31.823 0.329 0.000 0.994 763 V HN 0.634 nan 8.190 nan 0.000 0.442 764 D N 2.976 123.509 120.400 0.222 0.000 2.433 764 D HA 0.788 5.414 4.640 -0.023 0.000 0.236 764 D C -0.719 175.741 176.300 0.267 0.000 1.026 764 D CA -0.226 53.942 54.000 0.279 0.000 0.884 764 D CB 2.338 43.421 40.800 0.472 0.000 1.384 764 D HN 0.290 nan 8.370 nan 0.000 0.477 765 L N 0.934 122.277 121.223 0.200 0.000 2.341 765 L HA 0.688 5.015 4.340 -0.023 0.000 0.254 765 L C -0.817 176.099 176.870 0.076 0.000 1.040 765 L CA -0.886 54.038 54.840 0.140 0.000 0.837 765 L CB 2.389 44.478 42.059 0.051 0.000 1.425 765 L HN 0.238 nan 8.230 nan 0.000 0.414 766 M N 1.805 121.414 119.600 0.016 0.000 2.569 766 M HA 0.752 5.218 4.480 -0.023 0.000 0.287 766 M C -2.435 173.834 176.300 -0.051 0.000 1.130 766 M CA -0.265 54.983 55.300 -0.085 0.000 0.885 766 M CB 2.060 34.498 32.600 -0.271 0.000 1.759 766 M HN 0.738 nan 8.290 nan 0.000 0.515 767 A N 3.603 126.388 122.820 -0.058 0.000 2.589 767 A HA 0.876 5.183 4.320 -0.023 0.000 0.296 767 A C -1.723 175.867 177.584 0.010 0.000 1.062 767 A CA -0.738 51.303 52.037 0.008 0.000 0.686 767 A CB 1.931 20.959 19.000 0.045 0.000 1.282 767 A HN 0.988 nan 8.150 nan 0.000 0.404 768 R N 0.646 121.178 120.500 0.053 0.000 2.725 768 R HA 0.673 4.999 4.340 -0.023 0.000 0.277 768 R C -2.289 174.098 176.300 0.144 0.000 0.987 768 R CA -0.517 55.620 56.100 0.063 0.000 0.901 768 R CB 1.649 31.954 30.300 0.008 0.000 1.207 768 R HN 0.850 nan 8.270 nan 0.000 0.463 769 Y N 2.011 122.317 120.300 0.009 0.000 2.338 769 Y HA 0.246 4.782 4.550 -0.023 0.000 0.333 769 Y C -0.866 175.040 175.900 0.011 0.000 0.968 769 Y CA -0.649 57.459 58.100 0.012 0.000 1.123 769 Y CB 2.030 40.496 38.460 0.009 0.000 1.165 769 Y HN 0.574 nan 8.280 nan 0.000 0.452 770 Q N 6.103 125.679 119.800 -0.375 0.000 2.472 770 Q HA 0.294 4.620 4.340 -0.023 0.000 0.227 770 Q C 0.250 176.108 176.000 -0.236 0.000 1.156 770 Q CA 0.393 56.065 55.803 -0.219 0.000 0.924 770 Q CB -0.102 28.518 28.738 -0.196 0.000 1.354 770 Q HN 0.897 nan 8.270 nan 0.000 0.525 771 I N 0.499 121.090 120.570 0.036 0.000 2.454 771 I HA -0.094 4.063 4.170 -0.023 0.000 0.254 771 I C 0.475 176.631 176.117 0.064 0.000 1.156 771 I CA 0.636 62.033 61.300 0.163 0.000 1.433 771 I CB -0.019 38.087 38.000 0.176 0.000 1.082 771 I HN 0.373 nan 8.210 nan 0.000 0.432 772 T N -0.755 113.813 114.554 0.024 0.000 2.885 772 T HA 0.113 4.450 4.350 -0.023 0.000 0.322 772 T C 0.095 174.811 174.700 0.025 0.000 1.387 772 T CA -0.672 61.446 62.100 0.029 0.000 1.041 772 T CB 2.340 71.231 68.868 0.039 0.000 1.287 772 T HN -0.070 nan 8.240 nan 0.000 0.491 773 D N 1.043 121.463 120.400 0.034 0.000 2.158 773 D HA -0.097 4.529 4.640 -0.023 0.000 0.197 773 D C 1.590 177.931 176.300 0.069 0.000 0.995 773 D CA 1.477 55.502 54.000 0.041 0.000 0.846 773 D CB 0.334 41.164 40.800 0.049 0.000 0.941 773 D HN 0.435 nan 8.370 nan 0.000 0.456 774 K N -0.722 119.742 120.400 0.108 0.000 2.354 774 K HA 0.191 4.497 4.320 -0.023 0.000 0.194 774 K C 0.702 177.432 176.600 0.216 0.000 1.045 774 K CA -0.099 56.302 56.287 0.191 0.000 1.026 774 K CB 1.421 34.100 32.500 0.299 0.000 0.866 774 K HN 0.073 nan 8.250 nan 0.000 0.530 775 L N 1.557 122.854 121.223 0.123 0.000 2.381 775 L HA 0.267 4.593 4.340 -0.023 0.000 0.274 775 L C -1.014 175.898 176.870 0.070 0.000 0.988 775 L CA -0.452 54.450 54.840 0.104 0.000 0.824 775 L CB 1.929 44.005 42.059 0.030 0.000 1.263 775 L HN -0.004 nan 8.230 nan 0.000 0.410 776 S N 3.629 119.372 115.700 0.071 0.000 2.568 776 S HA 0.945 5.401 4.470 -0.023 0.000 0.293 776 S C -0.771 173.876 174.600 0.078 0.000 1.089 776 S CA -0.502 57.735 58.200 0.061 0.000 0.945 776 S CB 2.074 65.288 63.200 0.023 0.000 1.077 776 S HN 0.850 nan 8.310 nan 0.000 0.485 777 A N 1.642 124.524 122.820 0.103 0.000 2.350 777 A HA 0.878 5.184 4.320 -0.023 0.000 0.324 777 A C -0.204 177.434 177.584 0.091 0.000 1.118 777 A CA -0.703 51.396 52.037 0.103 0.000 0.783 777 A CB 1.519 20.589 19.000 0.116 0.000 1.236 777 A HN 0.856 nan 8.150 nan 0.000 0.457 778 S N -0.481 115.257 115.700 0.064 0.000 2.599 778 S HA 0.773 5.229 4.470 -0.023 0.000 0.287 778 S C -1.176 173.396 174.600 -0.047 0.000 1.105 778 S CA -0.570 57.635 58.200 0.008 0.000 0.899 778 S CB 1.874 65.058 63.200 -0.027 0.000 1.100 778 S HN 1.478 nan 8.310 nan 0.000 0.482 779 V N 1.945 121.771 119.914 -0.147 0.000 2.808 779 V HA 0.637 4.743 4.120 -0.023 0.000 0.308 779 V C -1.998 173.911 176.094 -0.308 0.000 1.099 779 V CA -0.616 61.453 62.300 -0.384 0.000 0.920 779 V CB 2.131 33.653 31.823 -0.501 0.000 1.014 779 V HN 0.942 nan 8.190 nan 0.000 0.425 780 N N 3.706 122.191 118.700 -0.358 0.000 2.399 780 N HA 0.694 5.420 4.740 -0.023 0.000 0.284 780 N C -1.315 174.078 175.510 -0.195 0.000 1.025 780 N CA -0.377 52.554 53.050 -0.198 0.000 0.885 780 N CB 2.314 40.728 38.487 -0.120 0.000 1.339 780 N HN 0.506 nan 8.380 nan 0.000 0.487 781 V N 2.499 122.350 119.914 -0.105 0.000 2.384 781 V HA 0.493 4.600 4.120 -0.023 0.000 0.287 781 V C -0.469 175.634 176.094 0.016 0.000 1.020 781 V CA -0.832 61.421 62.300 -0.079 0.000 0.850 781 V CB 1.070 32.838 31.823 -0.092 0.000 0.987 781 V HN 0.641 nan 8.190 nan 0.000 0.436 782 N N 3.640 122.360 118.700 0.033 0.000 2.319 782 N HA 0.328 5.055 4.740 -0.023 0.000 0.305 782 N C -0.140 175.439 175.510 0.116 0.000 1.103 782 N CA -0.638 52.483 53.050 0.118 0.000 0.815 782 N CB 1.528 40.110 38.487 0.159 0.000 1.288 782 N HN 0.715 nan 8.380 nan 0.000 0.493 783 N N 0.712 119.509 118.700 0.162 0.000 2.641 783 N HA -0.150 4.576 4.740 -0.023 0.000 0.267 783 N C 0.510 176.071 175.510 0.084 0.000 1.087 783 N CA 0.136 53.289 53.050 0.172 0.000 0.731 783 N CB -0.903 37.718 38.487 0.223 0.000 0.886 783 N HN 0.394 nan 8.380 nan 0.000 0.547 784 V N 0.930 120.842 119.914 -0.003 0.000 2.343 784 V HA -0.208 3.898 4.120 -0.023 0.000 0.247 784 V C 1.638 177.511 176.094 -0.368 0.000 1.051 784 V CA 2.186 64.335 62.300 -0.252 0.000 1.036 784 V CB -0.510 31.045 31.823 -0.448 0.000 0.654 784 V HN 0.517 nan 8.190 nan 0.000 0.451 785 F N -0.022 119.980 119.950 0.087 0.000 2.693 785 F HA 0.241 4.754 4.527 -0.023 0.000 0.303 785 F C 1.125 176.981 175.800 0.094 0.000 1.143 785 F CA 0.296 58.345 58.000 0.081 0.000 1.389 785 F CB -0.807 38.240 39.000 0.078 0.000 1.060 785 F HN 0.167 nan 8.300 nan 0.000 0.535 786 D N 1.337 121.843 120.400 0.177 0.000 2.751 786 D HA -0.275 4.351 4.640 -0.023 0.000 0.233 786 D C 0.324 176.732 176.300 0.180 0.000 1.149 786 D CA 0.450 54.539 54.000 0.149 0.000 0.682 786 D CB -0.853 40.009 40.800 0.103 0.000 1.068 786 D HN 0.215 nan 8.370 nan 0.000 0.429 787 K N 0.563 121.115 120.400 0.253 0.000 2.453 787 K HA 0.138 4.444 4.320 -0.023 0.000 0.280 787 K C -0.113 176.647 176.600 0.267 0.000 1.045 787 K CA 0.404 56.851 56.287 0.266 0.000 1.059 787 K CB 0.459 33.147 32.500 0.312 0.000 0.901 787 K HN 0.186 nan 8.250 nan 0.000 0.475 788 T N 4.816 119.460 114.554 0.149 0.000 2.743 788 T HA 0.464 4.801 4.350 -0.023 0.000 0.293 788 T C -0.678 174.043 174.700 0.034 0.000 0.945 788 T CA -0.359 61.754 62.100 0.021 0.000 1.030 788 T CB -0.020 68.788 68.868 -0.100 0.000 0.912 788 T HN 0.529 nan 8.240 nan 0.000 0.483 789 Y N 1.987 122.160 120.300 -0.213 0.000 2.829 789 Y HA 0.758 5.295 4.550 -0.022 0.000 0.322 789 Y C -2.075 173.577 175.900 -0.413 0.000 1.357 789 Y CA -2.205 55.660 58.100 -0.392 0.000 1.081 789 Y CB 0.854 38.878 38.460 -0.727 0.000 1.339 789 Y HN 0.504 nan 8.280 nan 0.000 0.469 790 Y N -0.071 120.267 120.300 0.062 0.000 2.364 790 Y HA 0.456 4.992 4.550 -0.024 0.000 0.340 790 Y C 0.871 176.970 175.900 0.331 0.000 0.975 790 Y CA -0.422 57.735 58.100 0.095 0.000 1.089 790 Y CB 2.537 41.111 38.460 0.190 0.000 1.192 790 Y HN 0.778 nan 8.280 nan 0.000 0.454 791 T N -2.173 112.616 114.554 0.392 0.000 3.069 791 T HA 0.199 4.535 4.350 -0.023 0.000 0.252 791 T C -0.046 174.946 174.700 0.487 0.000 1.053 791 T CA 0.008 62.392 62.100 0.475 0.000 0.964 791 T CB -0.269 68.764 68.868 0.274 0.000 1.005 791 T HN 0.522 nan 8.240 nan 0.000 0.532 792 N N 0.407 119.256 118.700 0.248 0.000 2.537 792 N HA 0.416 5.142 4.740 -0.023 0.000 0.281 792 N C -1.875 173.318 175.510 -0.527 0.000 1.097 792 N CA -0.766 52.146 53.050 -0.230 0.000 0.964 792 N CB 1.234 39.631 38.487 -0.150 0.000 1.588 792 N HN 0.268 nan 8.380 nan 0.000 0.511 793 I N 2.535 122.439 120.570 -1.111 0.000 2.499 793 I HA 0.599 4.756 4.170 -0.023 0.000 0.288 793 I C 0.917 176.593 176.117 -0.735 0.000 1.048 793 I CA -0.662 60.101 61.300 -0.895 0.000 1.062 793 I CB 1.895 39.399 38.000 -0.827 0.000 1.238 793 I HN 0.926 nan 8.210 nan 0.000 0.426 794 G N 4.859 113.329 108.800 -0.550 0.000 2.176 794 G HA2 -0.286 3.660 3.960 -0.023 0.000 0.232 794 G HA3 -0.286 3.660 3.960 -0.023 0.000 0.232 794 G C -0.002 174.815 174.900 -0.138 0.000 0.986 794 G CA -0.504 44.391 45.100 -0.341 0.000 0.643 794 G HN 0.531 nan 8.290 nan 0.000 0.522 795 F N 2.380 122.189 119.950 -0.235 0.000 2.462 795 F HA 0.537 5.049 4.527 -0.024 0.000 0.360 795 F C 1.041 176.897 175.800 0.094 0.000 1.134 795 F CA -0.685 57.288 58.000 -0.045 0.000 1.148 795 F CB -0.597 38.437 39.000 0.058 0.000 1.147 795 F HN 0.321 nan 8.300 nan 0.000 0.550 796 Y N 3.598 123.638 120.300 -0.434 0.000 3.305 796 Y HA -0.318 4.219 4.550 -0.020 0.000 0.212 796 Y C 1.060 176.824 175.900 -0.227 0.000 1.248 796 Y CA 0.902 58.783 58.100 -0.365 0.000 1.359 796 Y CB -2.368 35.817 38.460 -0.458 0.000 1.407 796 Y HN 0.785 nan 8.280 nan 0.000 0.572 797 T N -1.087 113.389 114.554 -0.129 0.000 3.970 797 T HA -0.123 4.213 4.350 -0.023 0.000 0.361 797 T C 0.106 174.681 174.700 -0.208 0.000 0.758 797 T CA 0.905 62.921 62.100 -0.140 0.000 1.940 797 T CB -1.507 67.342 68.868 -0.031 0.000 1.821 797 T HN 1.141 nan 8.240 nan 0.000 0.818 798 S N -1.210 114.329 115.700 -0.269 0.000 2.697 798 S HA 0.961 5.417 4.470 -0.023 0.000 0.289 798 S C -0.538 173.743 174.600 -0.532 0.000 1.149 798 S CA -0.322 57.670 58.200 -0.346 0.000 0.850 798 S CB 2.716 65.834 63.200 -0.136 0.000 1.151 798 S HN 1.370 nan 8.310 nan 0.000 0.491 799 A N 0.455 122.806 122.820 -0.783 0.000 2.569 799 A HA 0.934 5.240 4.320 -0.023 0.000 0.290 799 A C -0.853 176.381 177.584 -0.584 0.000 1.136 799 A CA -0.825 50.766 52.037 -0.744 0.000 0.710 799 A CB 1.516 19.958 19.000 -0.930 0.000 1.303 799 A HN 1.109 nan 8.150 nan 0.000 0.413 800 S N -0.586 114.982 115.700 -0.221 0.000 2.572 800 S HA 0.571 5.027 4.470 -0.023 0.000 0.274 800 S C -1.492 173.152 174.600 0.074 0.000 1.150 800 S CA -0.347 57.863 58.200 0.016 0.000 0.944 800 S CB 0.664 63.898 63.200 0.057 0.000 1.071 800 S HN 0.471 nan 8.310 nan 0.000 0.479 801 Y N 1.412 121.843 120.300 0.218 0.000 2.357 801 Y HA 0.500 5.035 4.550 -0.024 0.000 0.340 801 Y C 1.352 177.110 175.900 -0.236 0.000 1.260 801 Y CA 0.368 58.409 58.100 -0.098 0.000 1.425 801 Y CB 0.435 38.842 38.460 -0.088 0.000 1.326 801 Y HN 0.784 nan 8.280 nan 0.000 0.580 802 G N 0.350 108.811 108.800 -0.565 0.000 2.502 802 G HA2 0.188 4.134 3.960 -0.023 0.000 0.305 802 G HA3 0.188 4.134 3.960 -0.023 0.000 0.305 802 G C -1.006 173.591 174.900 -0.505 0.000 1.190 802 G CA -0.864 43.869 45.100 -0.611 0.000 0.933 802 G HN 0.533 nan 8.290 nan 0.000 0.503 803 D N 1.387 121.689 120.400 -0.163 0.000 2.487 803 D HA 0.148 4.774 4.640 -0.023 0.000 0.243 803 D C -1.675 174.525 176.300 -0.166 0.000 1.154 803 D CA -0.179 53.694 54.000 -0.212 0.000 0.876 803 D CB 1.168 42.084 40.800 0.193 0.000 1.161 803 D HN 0.010 nan 8.370 nan 0.000 0.478 804 P HA 0.049 nan 4.420 nan 0.000 0.275 804 P C 0.248 177.660 177.300 0.188 0.000 1.270 804 P CA -0.529 62.558 63.100 -0.022 0.000 0.791 804 P CB 0.587 32.273 31.700 -0.024 0.000 1.089 805 R N 1.454 122.039 120.500 0.142 0.000 2.585 805 R HA 0.035 4.361 4.340 -0.023 0.000 0.275 805 R C -0.240 176.065 176.300 0.009 0.000 1.018 805 R CA 0.612 56.760 56.100 0.080 0.000 1.072 805 R CB -0.725 29.595 30.300 0.033 0.000 0.953 805 R HN 0.700 nan 8.270 nan 0.000 0.419 806 N N 2.400 121.063 118.700 -0.061 0.000 2.308 806 N HA 0.348 5.074 4.740 -0.023 0.000 0.283 806 N C -1.787 173.609 175.510 -0.191 0.000 1.105 806 N CA -0.886 52.013 53.050 -0.252 0.000 0.840 806 N CB 1.276 39.605 38.487 -0.263 0.000 1.633 806 N HN 0.205 nan 8.380 nan 0.000 0.476 807 L N 0.522 121.596 121.223 -0.248 0.000 2.332 807 L HA 0.780 5.106 4.340 -0.023 0.000 0.269 807 L C -0.530 176.218 176.870 -0.202 0.000 1.016 807 L CA -0.774 53.936 54.840 -0.216 0.000 0.809 807 L CB 1.644 43.621 42.059 -0.137 0.000 1.280 807 L HN 0.853 nan 8.230 nan 0.000 0.447 808 M N 1.407 120.823 119.600 -0.306 0.000 2.255 808 M HA 0.536 5.002 4.480 -0.023 0.000 0.275 808 M C -2.044 174.046 176.300 -0.350 0.000 1.050 808 M CA -0.099 55.084 55.300 -0.195 0.000 0.978 808 M CB 1.318 33.845 32.600 -0.122 0.000 1.761 808 M HN 0.200 nan 8.290 nan 0.000 0.479 809 F N 2.198 122.107 119.950 -0.068 0.000 2.450 809 F HA 0.846 5.359 4.527 -0.024 0.000 0.332 809 F C 0.133 175.919 175.800 -0.023 0.000 1.093 809 F CA -0.193 57.782 58.000 -0.042 0.000 1.003 809 F CB 2.154 41.127 39.000 -0.046 0.000 1.151 809 F HN 0.628 nan 8.300 nan 0.000 0.474 810 S N 0.005 115.784 115.700 0.131 0.000 2.569 810 S HA 0.797 5.253 4.470 -0.023 0.000 0.280 810 S C -1.081 173.578 174.600 0.099 0.000 1.111 810 S CA -1.055 57.203 58.200 0.096 0.000 0.887 810 S CB 1.987 65.215 63.200 0.046 0.000 1.095 810 S HN 0.512 nan 8.310 nan 0.000 0.476 811 T N 0.846 115.459 114.554 0.098 0.000 2.861 811 T HA 0.647 4.984 4.350 -0.023 0.000 0.287 811 T C -0.622 174.141 174.700 0.104 0.000 1.003 811 T CA -0.810 61.348 62.100 0.097 0.000 0.977 811 T CB 1.662 70.589 68.868 0.099 0.000 0.996 811 T HN 0.624 nan 8.240 nan 0.000 0.448 812 R N 1.527 122.081 120.500 0.090 0.000 2.637 812 R HA 0.566 4.892 4.340 -0.023 0.000 0.291 812 R C -1.882 174.521 176.300 0.171 0.000 0.963 812 R CA -0.844 55.309 56.100 0.089 0.000 0.901 812 R CB 1.390 31.680 30.300 -0.016 0.000 1.160 812 R HN 0.733 nan 8.270 nan 0.000 0.457 813 W N 5.130 126.392 121.300 -0.063 0.000 2.499 813 W HA 0.351 4.997 4.660 -0.024 0.000 0.320 813 W C -1.701 174.669 176.519 -0.249 0.000 1.010 813 W CA -1.302 55.982 57.345 -0.102 0.000 1.267 813 W CB 1.105 30.532 29.460 -0.054 0.000 1.316 813 W HN 0.568 nan 8.180 nan 0.000 0.431 814 D N 6.274 126.587 120.400 -0.145 0.000 2.280 814 D HA 0.301 4.927 4.640 -0.023 0.000 0.243 814 D C 0.015 176.071 176.300 -0.407 0.000 1.129 814 D CA 0.084 53.858 54.000 -0.377 0.000 0.848 814 D CB 0.571 41.306 40.800 -0.108 0.000 1.107 814 D HN 0.021 nan 8.370 nan 0.000 0.471 815 F N 0.000 119.772 119.950 -0.297 0.000 2.286 815 F HA 0.000 4.513 4.527 -0.024 0.000 0.279 815 F CA 0.000 57.955 58.000 -0.075 0.000 1.383 815 F CB 0.000 38.983 39.000 -0.028 0.000 1.145 815 F HN 0.000 nan 8.300 nan 0.000 0.574