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 2w75_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 0.000 176.037 176.000 0.062 0.000 1.003 44 Q CA 0.000 55.836 55.803 0.055 0.000 1.022 44 Q CB 0.000 28.768 28.738 0.051 0.000 1.108 45 E N 1.314 121.552 120.200 0.062 0.000 2.481 45 E HA 0.108 4.454 4.350 -0.007 0.000 0.240 45 E C -0.865 175.762 176.600 0.044 0.000 1.193 45 E CA -0.020 56.424 56.400 0.072 0.000 0.955 45 E CB 0.235 29.973 29.700 0.064 0.000 1.006 45 E HN 0.195 nan 8.360 nan 0.000 0.483 46 V N 3.828 123.758 119.914 0.025 0.000 2.785 46 V HA 0.050 4.166 4.120 -0.007 0.000 0.300 46 V C 0.339 176.319 176.094 -0.189 0.000 1.062 46 V CA -0.400 61.809 62.300 -0.153 0.000 1.029 46 V CB 1.667 33.232 31.823 -0.430 0.000 1.024 46 V HN 0.622 nan 8.190 nan 0.000 0.477 47 E N 2.075 122.124 120.200 -0.251 0.000 2.129 47 E HA 0.339 4.685 4.350 -0.007 0.000 0.283 47 E C -1.187 175.224 176.600 -0.314 0.000 1.080 47 E CA 0.142 56.444 56.400 -0.163 0.000 0.867 47 E CB 0.219 29.868 29.700 -0.086 0.000 1.056 47 E HN 0.378 nan 8.360 nan 0.000 0.404 48 F N 2.250 122.194 119.950 -0.009 0.000 2.483 48 F HA 0.393 4.916 4.527 -0.007 0.000 0.329 48 F C 0.240 176.044 175.800 0.007 0.000 1.064 48 F CA -0.655 57.335 58.000 -0.016 0.000 0.986 48 F CB 1.614 40.616 39.000 0.004 0.000 1.218 48 F HN 0.293 nan 8.300 nan 0.000 0.484 49 D N 2.323 122.880 120.400 0.261 0.000 2.826 49 D HA 0.235 4.870 4.640 -0.007 0.000 0.239 49 D C -1.386 175.001 176.300 0.145 0.000 1.329 49 D CA 0.028 54.122 54.000 0.157 0.000 0.854 49 D CB 0.012 40.868 40.800 0.094 0.000 1.494 49 D HN 0.345 nan 8.370 nan 0.000 0.540 50 I N 3.539 124.199 120.570 0.149 0.000 2.371 50 I HA 0.348 4.513 4.170 -0.007 0.000 0.282 50 I C -2.010 174.145 176.117 0.065 0.000 1.031 50 I CA -1.686 59.681 61.300 0.111 0.000 1.180 50 I CB 1.656 39.740 38.000 0.139 0.000 1.336 50 I HN 0.017 nan 8.210 nan 0.000 0.467 51 P HA 0.260 nan 4.420 nan 0.000 0.274 51 P C -2.637 174.676 177.300 0.023 0.000 1.246 51 P CA -1.779 61.342 63.100 0.035 0.000 0.795 51 P CB -0.313 31.407 31.700 0.033 0.000 1.006 52 P HA 0.122 nan 4.420 nan 0.000 0.271 52 P C -0.433 176.870 177.300 0.005 0.000 1.216 52 P CA 0.473 63.575 63.100 0.003 0.000 0.771 52 P CB 0.224 31.924 31.700 0.001 0.000 0.864 53 Q N 1.362 121.160 119.800 -0.002 0.000 2.841 53 Q HA 0.669 5.005 4.340 -0.007 0.000 0.309 53 Q C -1.214 174.780 176.000 -0.010 0.000 0.868 53 Q CA -1.433 54.371 55.803 0.001 0.000 0.760 53 Q CB 0.546 29.289 28.738 0.008 0.000 1.454 53 Q HN 0.321 nan 8.270 nan 0.000 0.449 54 A N 0.864 123.683 122.820 -0.002 0.000 2.616 54 A HA 0.006 4.321 4.320 -0.007 0.000 0.234 54 A C 0.761 178.316 177.584 -0.049 0.000 1.024 54 A CA 0.080 52.110 52.037 -0.011 0.000 0.758 54 A CB -0.047 18.962 19.000 0.014 0.000 0.939 54 A HN 0.712 nan 8.150 nan 0.000 0.510 55 L N 3.831 125.008 121.223 -0.078 0.000 2.131 55 L HA -0.035 4.301 4.340 -0.007 0.000 0.210 55 L C 2.293 179.006 176.870 -0.262 0.000 1.092 55 L CA 2.758 57.508 54.840 -0.150 0.000 0.759 55 L CB -1.130 40.838 42.059 -0.153 0.000 0.903 55 L HN 0.850 nan 8.230 nan 0.000 0.435 56 G N -1.568 107.091 108.800 -0.234 0.000 2.480 56 G HA2 -0.307 3.649 3.960 -0.007 0.000 0.216 56 G HA3 -0.307 3.649 3.960 -0.007 0.000 0.216 56 G C 1.640 176.450 174.900 -0.150 0.000 1.200 56 G CA 0.949 45.873 45.100 -0.292 0.000 0.782 56 G HN 0.452 nan 8.290 nan 0.000 0.554 57 S N 0.853 116.527 115.700 -0.042 0.000 2.383 57 S HA -0.049 4.417 4.470 -0.007 0.000 0.229 57 S C 2.752 177.341 174.600 -0.018 0.000 1.030 57 S CA 1.336 59.533 58.200 -0.004 0.000 1.002 57 S CB -0.379 62.827 63.200 0.010 0.000 0.829 57 S HN 0.624 nan 8.310 nan 0.000 0.467 58 A N 1.243 124.029 122.820 -0.056 0.000 1.902 58 A HA -0.002 4.313 4.320 -0.007 0.000 0.217 58 A C 2.092 179.674 177.584 -0.003 0.000 1.181 58 A CA 1.121 53.142 52.037 -0.026 0.000 0.623 58 A CB -0.666 18.299 19.000 -0.058 0.000 0.818 58 A HN 0.468 nan 8.150 nan 0.000 0.443 59 L N -1.387 119.761 121.223 -0.124 0.000 2.046 59 L HA -0.230 4.105 4.340 -0.007 0.000 0.208 59 L C 2.879 179.803 176.870 0.090 0.000 1.077 59 L CA 1.711 56.489 54.840 -0.102 0.000 0.747 59 L CB -0.498 41.313 42.059 -0.413 0.000 0.896 59 L HN 0.418 nan 8.230 nan 0.000 0.432 60 Q N 0.055 119.908 119.800 0.087 0.000 2.084 60 Q HA -0.243 4.093 4.340 -0.007 0.000 0.202 60 Q C 2.104 178.181 176.000 0.128 0.000 0.978 60 Q CA 1.615 57.507 55.803 0.147 0.000 0.844 60 Q CB 0.030 28.846 28.738 0.130 0.000 0.898 60 Q HN 0.354 nan 8.270 nan 0.000 0.426 61 E N -1.026 119.239 120.200 0.109 0.000 2.077 61 E HA -0.194 4.152 4.350 -0.007 0.000 0.193 61 E C 1.514 178.209 176.600 0.158 0.000 0.989 61 E CA 0.987 57.452 56.400 0.108 0.000 0.800 61 E CB -0.150 29.605 29.700 0.092 0.000 0.746 61 E HN 0.388 nan 8.360 nan 0.000 0.452 62 F N 0.477 120.463 119.950 0.060 0.000 2.102 62 F HA -0.105 4.417 4.527 -0.007 0.000 0.298 62 F C 2.057 177.926 175.800 0.115 0.000 1.105 62 F CA 1.925 59.995 58.000 0.115 0.000 1.239 62 F CB -0.700 38.331 39.000 0.051 0.000 0.991 62 F HN 0.063 nan 8.300 nan 0.000 0.474 63 G N 0.161 109.129 108.800 0.280 0.000 2.476 63 G HA2 -0.336 3.619 3.960 -0.007 0.000 0.218 63 G HA3 -0.336 3.619 3.960 -0.007 0.000 0.218 63 G C 1.816 176.732 174.900 0.026 0.000 1.164 63 G CA 1.018 46.224 45.100 0.177 0.000 0.768 63 G HN 0.340 nan 8.290 nan 0.000 0.560 64 R N -0.072 120.441 120.500 0.021 0.000 2.082 64 R HA -0.091 4.244 4.340 -0.007 0.000 0.228 64 R C 2.883 179.026 176.300 -0.262 0.000 1.140 64 R CA 1.934 58.023 56.100 -0.017 0.000 0.920 64 R CB -0.466 29.859 30.300 0.041 0.000 0.828 64 R HN 0.420 nan 8.270 nan 0.000 0.430 65 Q N -0.836 118.728 119.800 -0.394 0.000 2.217 65 Q HA -0.192 4.143 4.340 -0.007 0.000 0.209 65 Q C 1.729 177.204 176.000 -0.875 0.000 0.988 65 Q CA 1.829 57.141 55.803 -0.818 0.000 0.878 65 Q CB -0.071 28.384 28.738 -0.473 0.000 0.909 65 Q HN 0.447 nan 8.270 nan 0.000 0.424 66 A N 0.229 122.707 122.820 -0.569 0.000 2.238 66 A HA -0.016 4.299 4.320 -0.007 0.000 0.210 66 A C -0.090 177.376 177.584 -0.196 0.000 1.179 66 A CA 0.280 52.060 52.037 -0.430 0.000 0.827 66 A CB 0.389 19.071 19.000 -0.531 0.000 0.856 66 A HN 0.309 nan 8.150 nan 0.000 0.488 67 D N -1.081 119.233 120.400 -0.144 0.000 2.723 67 D HA -0.155 4.480 4.640 -0.007 0.000 0.236 67 D C -0.313 176.011 176.300 0.041 0.000 1.138 67 D CA 1.103 55.103 54.000 0.000 0.000 0.676 67 D CB -1.363 39.461 40.800 0.041 0.000 1.069 67 D HN 0.540 nan 8.370 nan 0.000 0.430 68 I N -0.028 120.575 120.570 0.055 0.000 2.730 68 I HA 0.155 4.321 4.170 -0.007 0.000 0.298 68 I C 0.183 176.381 176.117 0.136 0.000 1.089 68 I CA -0.774 60.597 61.300 0.118 0.000 1.041 68 I CB 2.392 40.502 38.000 0.184 0.000 1.235 68 I HN -0.195 nan 8.210 nan 0.000 0.423 69 Q N 4.268 124.145 119.800 0.129 0.000 2.274 69 Q HA 0.480 4.816 4.340 -0.007 0.000 0.256 69 Q C -1.537 174.546 176.000 0.138 0.000 0.927 69 Q CA -0.590 55.287 55.803 0.124 0.000 0.939 69 Q CB 1.559 30.352 28.738 0.092 0.000 1.201 69 Q HN 0.438 nan 8.270 nan 0.000 0.426 70 V N 5.813 125.825 119.914 0.163 0.000 2.398 70 V HA 0.435 4.551 4.120 -0.007 0.000 0.286 70 V C -0.228 175.965 176.094 0.166 0.000 1.026 70 V CA -0.670 61.734 62.300 0.173 0.000 0.868 70 V CB 1.212 33.168 31.823 0.221 0.000 0.982 70 V HN 0.665 nan 8.190 nan 0.000 0.443 71 L N 6.400 127.692 121.223 0.116 0.000 2.341 71 L HA 0.745 5.081 4.340 -0.007 0.000 0.278 71 L C -0.847 176.084 176.870 0.102 0.000 1.005 71 L CA -0.694 54.168 54.840 0.036 0.000 0.818 71 L CB 1.599 43.646 42.059 -0.019 0.000 1.259 71 L HN 0.823 nan 8.230 nan 0.000 0.418 72 Y N 0.102 120.380 120.300 -0.037 0.000 2.597 72 Y HA 0.663 5.209 4.550 -0.007 0.000 0.340 72 Y C -0.938 174.935 175.900 -0.045 0.000 1.097 72 Y CA -1.498 56.573 58.100 -0.048 0.000 1.037 72 Y CB 1.345 39.776 38.460 -0.047 0.000 1.305 72 Y HN 0.365 nan 8.280 nan 0.000 0.463 73 R N 2.635 123.150 120.500 0.026 0.000 2.221 73 R HA 0.298 4.634 4.340 -0.007 0.000 0.327 73 R C -2.236 174.101 176.300 0.062 0.000 1.033 73 R CA -1.704 54.369 56.100 -0.046 0.000 0.887 73 R CB 1.027 31.308 30.300 -0.031 0.000 1.057 73 R HN 0.457 nan 8.270 nan 0.000 0.455 74 P HA -0.290 nan 4.420 nan 0.000 0.215 74 P C 1.121 178.472 177.300 0.085 0.000 1.163 74 P CA 1.310 64.469 63.100 0.098 0.000 0.894 74 P CB 0.184 31.893 31.700 0.014 0.000 0.791 75 E N 0.646 120.860 120.200 0.024 0.000 2.333 75 E HA -0.228 4.118 4.350 -0.007 0.000 0.198 75 E C 1.468 178.084 176.600 0.027 0.000 1.007 75 E CA 1.377 57.788 56.400 0.020 0.000 0.845 75 E CB -0.736 28.956 29.700 -0.015 0.000 0.766 75 E HN 0.376 nan 8.360 nan 0.000 0.507 76 E N 0.426 120.649 120.200 0.038 0.000 2.158 76 E HA -0.059 4.287 4.350 -0.007 0.000 0.191 76 E C 1.835 178.455 176.600 0.033 0.000 0.982 76 E CA 1.248 57.667 56.400 0.031 0.000 0.823 76 E CB 0.376 30.093 29.700 0.028 0.000 0.766 76 E HN 0.308 nan 8.360 nan 0.000 0.468 77 V N -0.339 119.611 119.914 0.061 0.000 3.271 77 V HA 0.215 4.331 4.120 -0.007 0.000 0.327 77 V C 1.544 177.650 176.094 0.020 0.000 1.389 77 V CA 0.086 62.397 62.300 0.019 0.000 1.156 77 V CB -0.161 31.652 31.823 -0.016 0.000 1.103 77 V HN 0.107 nan 8.190 nan 0.000 0.453 78 R N 1.320 121.844 120.500 0.040 0.000 2.254 78 R HA 0.184 4.520 4.340 -0.007 0.000 0.195 78 R C 0.572 176.894 176.300 0.037 0.000 0.957 78 R CA 1.171 57.303 56.100 0.053 0.000 1.024 78 R CB -0.128 30.213 30.300 0.070 0.000 0.952 78 R HN 0.620 nan 8.270 nan 0.000 0.484 79 N N 0.539 119.252 118.700 0.021 0.000 2.517 79 N HA 0.205 4.940 4.740 -0.007 0.000 0.285 79 N C -1.359 174.154 175.510 0.005 0.000 1.528 79 N CA -0.610 52.451 53.050 0.017 0.000 0.892 79 N CB 0.657 39.155 38.487 0.019 0.000 1.356 79 N HN 0.118 nan 8.380 nan 0.000 0.495 80 K N 0.212 120.609 120.400 -0.005 0.000 2.443 80 K HA 0.578 4.894 4.320 -0.007 0.000 0.251 80 K C -0.518 176.066 176.600 -0.027 0.000 0.972 80 K CA -0.697 55.579 56.287 -0.019 0.000 0.833 80 K CB 2.566 35.046 32.500 -0.032 0.000 1.317 80 K HN -0.015 nan 8.250 nan 0.000 0.441 81 R N 0.197 120.678 120.500 -0.031 0.000 2.854 81 R HA 0.341 4.676 4.340 -0.007 0.000 0.271 81 R C -0.510 175.761 176.300 -0.048 0.000 0.994 81 R CA -0.819 55.261 56.100 -0.034 0.000 0.945 81 R CB 2.064 32.353 30.300 -0.018 0.000 1.194 81 R HN 0.824 nan 8.270 nan 0.000 0.476 82 S N 0.097 115.766 115.700 -0.051 0.000 2.592 82 S HA 0.198 4.664 4.470 -0.007 0.000 0.271 82 S C 0.285 174.860 174.600 -0.042 0.000 1.326 82 S CA -0.755 57.408 58.200 -0.061 0.000 1.024 82 S CB 1.494 64.657 63.200 -0.062 0.000 0.921 82 S HN 0.589 nan 8.310 nan 0.000 0.527 83 S N 1.625 117.296 115.700 -0.048 0.000 2.610 83 S HA 0.622 5.088 4.470 -0.007 0.000 0.273 83 S C 0.263 174.847 174.600 -0.027 0.000 1.274 83 S CA -0.504 57.676 58.200 -0.033 0.000 1.023 83 S CB 0.457 63.637 63.200 -0.034 0.000 0.962 83 S HN 1.403 nan 8.310 nan 0.000 0.523 84 A N 3.136 125.949 122.820 -0.012 0.000 2.477 84 A HA 0.547 4.862 4.320 -0.007 0.000 0.246 84 A C 0.377 177.961 177.584 0.000 0.000 1.078 84 A CA -0.540 51.498 52.037 0.002 0.000 0.770 84 A CB -0.673 18.333 19.000 0.010 0.000 1.011 84 A HN 1.167 nan 8.150 nan 0.000 0.494 85 I N -0.904 119.674 120.570 0.014 0.000 2.582 85 I HA 0.848 5.013 4.170 -0.007 0.000 0.292 85 I C -0.713 175.443 176.117 0.065 0.000 1.066 85 I CA -1.085 60.225 61.300 0.016 0.000 1.053 85 I CB 2.309 40.287 38.000 -0.037 0.000 1.241 85 I HN 0.488 nan 8.210 nan 0.000 0.421 86 K N 3.690 124.134 120.400 0.074 0.000 2.553 86 K HA 0.817 5.133 4.320 -0.007 0.000 0.250 86 K C -0.536 176.129 176.600 0.108 0.000 0.953 86 K CA 0.236 56.582 56.287 0.098 0.000 0.800 86 K CB 2.033 34.574 32.500 0.067 0.000 1.243 86 K HN 1.281 nan 8.250 nan 0.000 0.435 87 G N 2.177 111.062 108.800 0.142 0.000 2.371 87 G HA2 -0.070 3.886 3.960 -0.007 0.000 0.663 87 G HA3 -0.070 3.886 3.960 -0.007 0.000 0.663 87 G C -1.516 173.478 174.900 0.156 0.000 1.311 87 G CA -1.090 44.081 45.100 0.118 0.000 0.985 87 G HN 0.542 nan 8.290 nan 0.000 0.566 88 K N 0.141 120.604 120.400 0.106 0.000 2.419 88 K HA 0.438 4.753 4.320 -0.007 0.000 0.282 88 K C -0.057 176.630 176.600 0.144 0.000 1.056 88 K CA 0.404 56.754 56.287 0.105 0.000 1.035 88 K CB -0.252 32.285 32.500 0.062 0.000 0.921 88 K HN 0.427 nan 8.250 nan 0.000 0.472 89 L N 2.618 123.975 121.223 0.224 0.000 2.409 89 L HA 0.365 4.701 4.340 -0.007 0.000 0.255 89 L C -0.504 176.510 176.870 0.240 0.000 1.027 89 L CA -1.053 53.918 54.840 0.219 0.000 0.834 89 L CB 2.133 44.328 42.059 0.225 0.000 1.426 89 L HN 0.521 nan 8.230 nan 0.000 0.411 90 E N 1.303 121.604 120.200 0.168 0.000 2.283 90 E HA 0.170 4.515 4.350 -0.007 0.000 0.278 90 E C -1.771 174.956 176.600 0.211 0.000 1.027 90 E CA -1.633 54.863 56.400 0.160 0.000 0.843 90 E CB 1.599 31.350 29.700 0.085 0.000 1.062 90 E HN 0.281 nan 8.360 nan 0.000 0.401 91 P HA -0.194 nan 4.420 nan 0.000 0.218 91 P C 0.805 178.318 177.300 0.355 0.000 1.148 91 P CA 1.135 64.465 63.100 0.384 0.000 0.822 91 P CB 0.168 32.090 31.700 0.370 0.000 0.784 92 N N -0.078 118.751 118.700 0.215 0.000 2.142 92 N HA -0.188 4.548 4.740 -0.007 0.000 0.186 92 N C 1.820 177.409 175.510 0.131 0.000 1.023 92 N CA 1.425 54.574 53.050 0.165 0.000 0.852 92 N CB -1.253 37.074 38.487 -0.267 0.000 0.998 92 N HN 0.205 nan 8.380 nan 0.000 0.424 93 Q N 0.439 120.281 119.800 0.071 0.000 1.967 93 Q HA 0.007 4.342 4.340 -0.007 0.000 0.202 93 Q C 2.161 178.173 176.000 0.019 0.000 0.985 93 Q CA 2.043 57.871 55.803 0.042 0.000 0.839 93 Q CB -0.387 28.371 28.738 0.035 0.000 0.906 93 Q HN 0.452 nan 8.270 nan 0.000 0.423 94 A N 0.723 123.541 122.820 -0.003 0.000 1.923 94 A HA -0.309 4.007 4.320 -0.007 0.000 0.222 94 A C 2.015 179.523 177.584 -0.127 0.000 1.258 94 A CA 2.158 54.111 52.037 -0.141 0.000 0.670 94 A CB -1.066 17.664 19.000 -0.451 0.000 0.834 94 A HN 0.599 nan 8.150 nan 0.000 0.470 95 I N -0.397 120.129 120.570 -0.073 0.000 2.286 95 I HA -0.152 4.013 4.170 -0.007 0.000 0.245 95 I C 2.688 178.674 176.117 -0.219 0.000 1.104 95 I CA 2.411 63.495 61.300 -0.360 0.000 1.397 95 I CB -0.341 37.344 38.000 -0.525 0.000 1.072 95 I HN 0.528 nan 8.210 nan 0.000 0.417 96 T N -2.495 112.015 114.554 -0.074 0.000 2.881 96 T HA -0.191 4.154 4.350 -0.007 0.000 0.270 96 T C 1.799 176.458 174.700 -0.069 0.000 1.068 96 T CA 1.633 63.700 62.100 -0.055 0.000 1.131 96 T CB -0.517 68.359 68.868 0.012 0.000 0.871 96 T HN 0.524 nan 8.240 nan 0.000 0.479 97 E N 0.207 120.364 120.200 -0.073 0.000 2.107 97 E HA 0.068 4.414 4.350 -0.007 0.000 0.191 97 E C 2.089 178.637 176.600 -0.087 0.000 0.982 97 E CA 0.615 56.976 56.400 -0.065 0.000 0.809 97 E CB -0.203 29.464 29.700 -0.055 0.000 0.756 97 E HN 0.527 nan 8.360 nan 0.000 0.459 98 L N 0.572 121.715 121.223 -0.133 0.000 2.131 98 L HA -0.126 4.209 4.340 -0.007 0.000 0.210 98 L C 1.842 178.628 176.870 -0.140 0.000 1.092 98 L CA 0.970 55.723 54.840 -0.145 0.000 0.759 98 L CB 0.092 42.020 42.059 -0.218 0.000 0.903 98 L HN 0.181 nan 8.230 nan 0.000 0.435 99 L N -0.516 120.617 121.223 -0.150 0.000 2.591 99 L HA 0.052 4.388 4.340 -0.007 0.000 0.228 99 L C 1.137 177.955 176.870 -0.087 0.000 1.133 99 L CA -0.244 54.517 54.840 -0.132 0.000 0.880 99 L CB -0.306 41.661 42.059 -0.152 0.000 1.033 99 L HN 0.156 nan 8.230 nan 0.000 0.450 100 R N 0.895 121.353 120.500 -0.071 0.000 2.504 100 R HA 0.078 4.414 4.340 -0.007 0.000 0.291 100 R C 1.084 177.358 176.300 -0.043 0.000 0.974 100 R CA 1.158 57.229 56.100 -0.048 0.000 1.077 100 R CB 0.141 30.418 30.300 -0.039 0.000 0.926 100 R HN 0.338 nan 8.270 nan 0.000 0.407 101 G N 2.308 111.087 108.800 -0.036 0.000 2.217 101 G HA2 -0.357 3.598 3.960 -0.007 0.000 0.246 101 G HA3 -0.357 3.598 3.960 -0.007 0.000 0.246 101 G C 0.716 175.596 174.900 -0.033 0.000 0.990 101 G CA 0.637 45.719 45.100 -0.030 0.000 0.627 101 G HN 0.719 nan 8.290 nan 0.000 0.522 102 T N -1.662 112.866 114.554 -0.045 0.000 3.057 102 T HA 0.428 4.773 4.350 -0.007 0.000 0.254 102 T C 2.333 177.008 174.700 -0.042 0.000 1.094 102 T CA 1.632 63.703 62.100 -0.048 0.000 1.088 102 T CB 0.148 68.975 68.868 -0.069 0.000 0.934 102 T HN 2.234 nan 8.240 nan 0.000 0.497 103 G N 1.232 110.009 108.800 -0.039 0.000 2.176 103 G HA2 0.035 3.990 3.960 -0.007 0.000 0.252 103 G HA3 0.035 3.990 3.960 -0.007 0.000 0.252 103 G C 0.161 175.038 174.900 -0.039 0.000 1.024 103 G CA 0.047 45.127 45.100 -0.033 0.000 0.755 103 G HN 1.218 nan 8.290 nan 0.000 0.507 104 A N -0.786 122.002 122.820 -0.054 0.000 2.311 104 A HA 0.934 5.249 4.320 -0.007 0.000 0.334 104 A C 0.361 177.904 177.584 -0.070 0.000 1.139 104 A CA 0.335 52.334 52.037 -0.063 0.000 0.830 104 A CB 1.556 20.508 19.000 -0.080 0.000 1.234 104 A HN 0.898 nan 8.150 nan 0.000 0.483 105 S N -0.758 114.898 115.700 -0.072 0.000 2.621 105 S HA 0.655 5.120 4.470 -0.007 0.000 0.302 105 S C -0.622 173.902 174.600 -0.127 0.000 1.093 105 S CA -0.459 57.695 58.200 -0.076 0.000 1.017 105 S CB 1.631 64.799 63.200 -0.052 0.000 1.077 105 S HN 0.611 nan 8.310 nan 0.000 0.517 106 V N 2.038 121.851 119.914 -0.169 0.000 2.555 106 V HA 0.407 4.523 4.120 -0.007 0.000 0.302 106 V C -0.726 175.175 176.094 -0.321 0.000 1.038 106 V CA -0.743 61.353 62.300 -0.340 0.000 0.887 106 V CB 1.936 33.404 31.823 -0.592 0.000 0.991 106 V HN 0.809 nan 8.190 nan 0.000 0.434 107 D N 3.389 123.600 120.400 -0.316 0.000 2.454 107 D HA 0.352 4.988 4.640 -0.007 0.000 0.225 107 D C -0.616 175.537 176.300 -0.245 0.000 1.081 107 D CA -0.408 53.476 54.000 -0.193 0.000 0.864 107 D CB 0.423 41.168 40.800 -0.092 0.000 1.040 107 D HN 0.239 nan 8.370 nan 0.000 0.517 108 F N 2.716 122.678 119.950 0.019 0.000 2.502 108 F HA 0.141 4.663 4.527 -0.008 0.000 0.371 108 F C 1.110 176.930 175.800 0.033 0.000 1.083 108 F CA 0.094 58.114 58.000 0.033 0.000 1.174 108 F CB 0.581 39.602 39.000 0.036 0.000 1.096 108 F HN 0.279 nan 8.300 nan 0.000 0.545 109 Q N 3.020 122.918 119.800 0.164 0.000 3.064 109 Q HA 0.532 4.868 4.340 -0.007 0.000 0.258 109 Q C 0.412 176.482 176.000 0.117 0.000 0.972 109 Q CA -0.382 55.492 55.803 0.118 0.000 0.761 109 Q CB 1.231 30.008 28.738 0.065 0.000 1.281 109 Q HN 0.857 nan 8.270 nan 0.000 0.455 110 G N 3.392 112.271 108.800 0.132 0.000 2.543 110 G HA2 -0.374 3.582 3.960 -0.007 0.000 0.286 110 G HA3 -0.374 3.582 3.960 -0.007 0.000 0.286 110 G C 0.267 175.240 174.900 0.121 0.000 1.153 110 G CA 0.300 45.465 45.100 0.107 0.000 0.968 110 G HN 0.590 nan 8.290 nan 0.000 0.544 111 N N 2.907 121.668 118.700 0.102 0.000 2.362 111 N HA 0.487 5.222 4.740 -0.007 0.000 0.211 111 N C 0.396 175.973 175.510 0.112 0.000 1.170 111 N CA 1.087 54.200 53.050 0.107 0.000 0.828 111 N CB 0.444 38.984 38.487 0.089 0.000 1.034 111 N HN 1.086 nan 8.380 nan 0.000 0.475 112 A N 0.688 123.576 122.820 0.113 0.000 2.475 112 A HA 0.741 5.057 4.320 -0.007 0.000 0.301 112 A C -0.519 177.118 177.584 0.087 0.000 1.059 112 A CA -0.853 51.242 52.037 0.098 0.000 0.710 112 A CB 1.341 20.381 19.000 0.066 0.000 1.288 112 A HN 0.237 nan 8.150 nan 0.000 0.408 113 I N -0.422 120.181 120.570 0.055 0.000 2.433 113 I HA 0.797 4.962 4.170 -0.007 0.000 0.292 113 I C -0.208 175.872 176.117 -0.060 0.000 1.001 113 I CA -0.379 60.881 61.300 -0.066 0.000 1.119 113 I CB 2.192 40.101 38.000 -0.151 0.000 1.289 113 I HN 0.562 nan 8.210 nan 0.000 0.438 114 T N 5.626 120.121 114.554 -0.098 0.000 2.797 114 T HA 0.649 4.995 4.350 -0.007 0.000 0.279 114 T C -0.602 174.037 174.700 -0.101 0.000 0.991 114 T CA -0.426 61.636 62.100 -0.063 0.000 0.979 114 T CB 1.071 69.914 68.868 -0.042 0.000 0.943 114 T HN 0.481 nan 8.240 nan 0.000 0.444 115 I N 4.668 125.206 120.570 -0.053 0.000 2.353 115 I HA 0.494 4.659 4.170 -0.007 0.000 0.293 115 I C 0.518 176.618 176.117 -0.028 0.000 0.992 115 I CA 0.289 61.549 61.300 -0.066 0.000 1.268 115 I CB 1.727 39.695 38.000 -0.054 0.000 1.387 115 I HN 0.895 nan 8.210 nan 0.000 0.478 116 S N 5.386 121.057 115.700 -0.048 0.000 2.599 116 S HA 0.825 5.291 4.470 -0.007 0.000 0.287 116 S C -1.021 173.560 174.600 -0.032 0.000 1.105 116 S CA -0.724 57.458 58.200 -0.031 0.000 0.899 116 S CB 1.963 65.141 63.200 -0.037 0.000 1.100 116 S HN 0.205 nan 8.310 nan 0.000 0.482 117 V N 2.055 121.956 119.914 -0.022 0.000 2.305 117 V HA 0.688 4.804 4.120 -0.007 0.000 0.275 117 V C 0.605 176.687 176.094 -0.020 0.000 1.020 117 V CA -0.534 61.752 62.300 -0.023 0.000 0.811 117 V CB 0.404 32.217 31.823 -0.018 0.000 1.031 117 V HN 1.187 nan 8.190 nan 0.000 0.439 118 A N 4.610 127.417 122.820 -0.021 0.000 2.462 118 A HA 0.617 4.933 4.320 -0.007 0.000 0.243 118 A C 0.258 177.833 177.584 -0.014 0.000 1.076 118 A CA -0.145 51.881 52.037 -0.018 0.000 0.773 118 A CB 0.316 19.306 19.000 -0.017 0.000 1.010 118 A HN 0.708 nan 8.150 nan 0.000 0.493 119 E N 0.811 121.004 120.200 -0.012 0.000 2.235 119 E HA 0.508 4.854 4.350 -0.007 0.000 0.265 119 E C 0.790 177.385 176.600 -0.008 0.000 0.940 119 E CA -0.168 56.226 56.400 -0.010 0.000 0.819 119 E CB 1.705 31.399 29.700 -0.009 0.000 1.206 119 E HN 0.603 nan 8.360 nan 0.000 0.409 120 A N 1.098 123.914 122.820 -0.007 0.000 2.067 120 A HA 0.036 4.352 4.320 -0.007 0.000 0.219 120 A C 1.522 179.103 177.584 -0.005 0.000 1.158 120 A CA 1.613 53.647 52.037 -0.005 0.000 0.661 120 A CB -0.339 18.659 19.000 -0.004 0.000 0.801 120 A HN 0.614 nan 8.150 nan 0.000 0.452 121 A N -0.396 122.420 122.820 -0.005 0.000 3.289 121 A HA 0.340 4.655 4.320 -0.007 0.000 0.157 121 A C 0.276 177.856 177.584 -0.006 0.000 1.293 121 A CA 0.699 52.733 52.037 -0.005 0.000 0.896 121 A CB -0.363 18.634 19.000 -0.005 0.000 0.998 121 A HN 0.516 nan 8.150 nan 0.000 0.519 122 D N -2.161 118.234 120.400 -0.008 0.000 8.956 122 D HA -0.110 4.526 4.640 -0.007 0.000 0.275 122 D C 0.160 176.456 176.300 -0.007 0.000 2.495 122 D CA 1.001 54.996 54.000 -0.009 0.000 2.321 122 D CB -0.846 39.948 40.800 -0.011 0.000 0.956 122 D HN 0.692 nan 8.370 nan 0.000 0.669 123 S N 0.063 115.759 115.700 -0.007 0.000 2.603 123 S HA 0.399 4.865 4.470 -0.007 0.000 0.232 123 S C 0.111 174.709 174.600 -0.005 0.000 1.016 123 S CA 1.271 59.469 58.200 -0.004 0.000 0.976 123 S CB 0.321 63.520 63.200 -0.002 0.000 0.921 123 S HN 1.539 nan 8.310 nan 0.000 0.516 124 S N -0.858 114.836 115.700 -0.009 0.000 2.791 124 S HA 0.131 4.597 4.470 -0.007 0.000 0.261 124 S C -1.144 173.445 174.600 -0.018 0.000 0.684 124 S CA -0.303 57.890 58.200 -0.012 0.000 1.126 124 S CB -0.427 62.768 63.200 -0.009 0.000 1.400 124 S HN 1.210 nan 8.310 nan 0.000 0.522 125 V N 1.256 121.155 119.914 -0.025 0.000 2.834 125 V HA 0.704 4.819 4.120 -0.007 0.000 0.313 125 V C -0.462 175.611 176.094 -0.035 0.000 1.060 125 V CA -0.234 62.049 62.300 -0.029 0.000 0.989 125 V CB 1.755 33.559 31.823 -0.031 0.000 1.041 125 V HN 1.026 nan 8.190 nan 0.000 0.459 126 D N 4.164 124.543 120.400 -0.035 0.000 2.518 126 D HA 0.244 4.880 4.640 -0.007 0.000 0.230 126 D C 1.064 177.338 176.300 -0.043 0.000 1.138 126 D CA 0.083 54.061 54.000 -0.037 0.000 0.964 126 D CB 0.517 41.295 40.800 -0.038 0.000 1.011 126 D HN 0.566 nan 8.370 nan 0.000 0.517 127 L N 1.331 122.525 121.223 -0.048 0.000 2.083 127 L HA -0.028 4.307 4.340 -0.007 0.000 0.209 127 L C 1.842 178.685 176.870 -0.045 0.000 1.083 127 L CA 1.211 56.020 54.840 -0.051 0.000 0.752 127 L CB 0.094 42.115 42.059 -0.063 0.000 0.899 127 L HN 0.381 nan 8.230 nan 0.000 0.433 128 G N -0.495 108.284 108.800 -0.035 0.000 3.949 128 G HA2 0.439 4.395 3.960 -0.007 0.000 0.295 128 G HA3 0.439 4.395 3.960 -0.007 0.000 0.295 128 G C 0.345 175.223 174.900 -0.036 0.000 1.286 128 G CA 0.071 45.157 45.100 -0.024 0.000 1.171 128 G HN 0.290 nan 8.290 nan 0.000 0.586 129 A N 0.496 123.284 122.820 -0.052 0.000 2.531 129 A HA 0.451 4.766 4.320 -0.007 0.000 0.236 129 A C 1.046 178.571 177.584 -0.098 0.000 1.062 129 A CA 0.138 52.130 52.037 -0.075 0.000 0.760 129 A CB 0.050 19.007 19.000 -0.072 0.000 0.995 129 A HN 0.293 nan 8.150 nan 0.000 0.501 130 T N 3.763 118.237 114.554 -0.133 0.000 2.800 130 T HA 0.212 4.557 4.350 -0.007 0.000 0.283 130 T C 0.098 174.697 174.700 -0.168 0.000 0.999 130 T CA 1.076 63.077 62.100 -0.164 0.000 1.176 130 T CB -0.537 68.205 68.868 -0.209 0.000 0.973 130 T HN 0.485 nan 8.240 nan 0.000 0.519 131 M N 4.480 123.974 119.600 -0.176 0.000 2.259 131 M HA 0.401 4.876 4.480 -0.007 0.000 0.304 131 M C -0.866 175.267 176.300 -0.280 0.000 1.019 131 M CA -0.976 54.193 55.300 -0.218 0.000 0.922 131 M CB 1.902 34.409 32.600 -0.154 0.000 1.600 131 M HN 0.291 nan 8.290 nan 0.000 0.433 132 I N 1.826 122.116 120.570 -0.467 0.000 2.499 132 I HA 0.491 4.656 4.170 -0.007 0.000 0.296 132 I C 0.509 176.337 176.117 -0.481 0.000 0.992 132 I CA -0.097 60.909 61.300 -0.489 0.000 1.297 132 I CB 1.796 39.434 38.000 -0.604 0.000 1.410 132 I HN 0.599 nan 8.210 nan 0.000 0.507 133 T N 2.825 117.253 114.554 -0.210 0.000 2.906 133 T HA 0.278 4.624 4.350 -0.007 0.000 0.295 133 T C 0.702 175.435 174.700 0.054 0.000 1.061 133 T CA -0.370 61.694 62.100 -0.059 0.000 1.000 133 T CB 1.539 70.382 68.868 -0.043 0.000 1.103 133 T HN 0.696 nan 8.240 nan 0.000 0.486 134 S N 1.763 117.530 115.700 0.112 0.000 2.517 134 S HA 0.162 4.628 4.470 -0.007 0.000 0.214 134 S C 0.555 175.223 174.600 0.113 0.000 0.991 134 S CA -0.129 58.154 58.200 0.140 0.000 0.906 134 S CB 0.025 63.330 63.200 0.175 0.000 0.789 134 S HN 0.545 nan 8.310 nan 0.000 0.513 135 N N 1.159 119.917 118.700 0.096 0.000 2.448 135 N HA 0.240 4.976 4.740 -0.007 0.000 0.279 135 N C 0.150 175.712 175.510 0.086 0.000 1.025 135 N CA -0.292 52.814 53.050 0.094 0.000 0.898 135 N CB 1.653 40.194 38.487 0.090 0.000 1.303 135 N HN 0.030 nan 8.380 nan 0.000 0.495 136 Q N 2.726 122.591 119.800 0.108 0.000 2.437 136 Q HA 0.050 4.386 4.340 -0.007 0.000 0.210 136 Q C 1.095 177.148 176.000 0.089 0.000 0.972 136 Q CA 0.828 56.704 55.803 0.122 0.000 0.903 136 Q CB 0.374 29.236 28.738 0.207 0.000 0.967 136 Q HN 0.682 nan 8.270 nan 0.000 0.486 137 L N -1.408 119.862 121.223 0.078 0.000 2.616 137 L HA 0.245 4.580 4.340 -0.007 0.000 0.229 137 L C 0.924 177.812 176.870 0.030 0.000 1.110 137 L CA 0.294 55.164 54.840 0.050 0.000 0.884 137 L CB 0.449 42.545 42.059 0.062 0.000 1.115 137 L HN 0.194 nan 8.230 nan 0.000 0.481 138 G N -0.585 108.237 108.800 0.037 0.000 2.343 138 G HA2 -0.130 3.826 3.960 -0.007 0.000 0.562 138 G HA3 -0.130 3.826 3.960 -0.007 0.000 0.562 138 G C -0.629 174.297 174.900 0.044 0.000 1.269 138 G CA -0.757 44.360 45.100 0.028 0.000 1.011 138 G HN -0.160 nan 8.290 nan 0.000 0.498 139 T N 0.797 115.376 114.554 0.042 0.000 2.869 139 T HA 0.527 4.872 4.350 -0.007 0.000 0.295 139 T C 0.989 175.723 174.700 0.058 0.000 0.987 139 T CA 0.037 62.169 62.100 0.054 0.000 1.109 139 T CB 0.917 69.815 68.868 0.050 0.000 0.932 139 T HN 0.556 nan 8.240 nan 0.000 0.518 140 I N 3.088 123.699 120.570 0.068 0.000 2.556 140 I HA 0.066 4.232 4.170 -0.007 0.000 0.284 140 I C 2.037 178.195 176.117 0.068 0.000 1.114 140 I CA -0.161 61.181 61.300 0.070 0.000 1.418 140 I CB 1.188 39.234 38.000 0.076 0.000 1.394 140 I HN 0.866 nan 8.210 nan 0.000 0.552 141 T N 1.198 115.792 114.554 0.066 0.000 3.035 141 T HA -0.043 4.303 4.350 -0.007 0.000 0.259 141 T C 0.840 175.583 174.700 0.071 0.000 1.078 141 T CA -0.177 61.965 62.100 0.069 0.000 1.132 141 T CB -0.150 68.758 68.868 0.066 0.000 0.900 141 T HN 0.646 nan 8.240 nan 0.000 0.480 142 E N 2.143 122.383 120.200 0.068 0.000 2.765 142 E HA -0.131 4.215 4.350 -0.007 0.000 0.256 142 E C -0.272 176.362 176.600 0.057 0.000 0.935 142 E CA 0.759 57.196 56.400 0.061 0.000 0.954 142 E CB -0.183 29.556 29.700 0.064 0.000 0.908 142 E HN 0.424 nan 8.360 nan 0.000 0.500 143 D N 1.799 122.228 120.400 0.049 0.000 3.046 143 D HA -0.285 4.351 4.640 -0.007 0.000 0.210 143 D C 1.037 177.371 176.300 0.056 0.000 1.124 143 D CA 1.277 55.304 54.000 0.046 0.000 0.986 143 D CB -1.779 39.046 40.800 0.041 0.000 1.118 143 D HN 0.525 nan 8.370 nan 0.000 0.416 144 S N 0.008 115.749 115.700 0.068 0.000 2.399 144 S HA 0.077 4.542 4.470 -0.007 0.000 0.231 144 S C 1.967 176.607 174.600 0.067 0.000 1.022 144 S CA 2.142 60.386 58.200 0.072 0.000 0.983 144 S CB -0.127 63.122 63.200 0.081 0.000 0.803 144 S HN 1.354 nan 8.310 nan 0.000 0.480 145 G N 0.047 108.892 108.800 0.074 0.000 2.143 145 G HA2 -0.213 3.743 3.960 -0.007 0.000 0.248 145 G HA3 -0.213 3.743 3.960 -0.007 0.000 0.248 145 G C 0.021 174.962 174.900 0.068 0.000 0.991 145 G CA 0.477 45.613 45.100 0.061 0.000 0.689 145 G HN 1.180 nan 8.290 nan 0.000 0.522 146 S N -1.610 114.170 115.700 0.133 0.000 2.570 146 S HA 0.727 5.192 4.470 -0.007 0.000 0.286 146 S C 0.229 175.053 174.600 0.373 0.000 1.099 146 S CA -0.661 57.626 58.200 0.146 0.000 0.913 146 S CB 1.015 64.276 63.200 0.102 0.000 1.085 146 S HN 0.340 nan 8.310 nan 0.000 0.480 147 Y N 1.409 121.752 120.300 0.071 0.000 2.555 147 Y HA 0.369 4.915 4.550 -0.007 0.000 0.259 147 Y C 1.183 177.114 175.900 0.052 0.000 1.179 147 Y CA -0.380 57.766 58.100 0.076 0.000 1.230 147 Y CB -0.016 38.507 38.460 0.105 0.000 1.146 147 Y HN 0.502 nan 8.280 nan 0.000 0.526 148 T N 3.091 117.757 114.554 0.186 0.000 2.856 148 T HA 0.457 4.803 4.350 -0.007 0.000 0.283 148 T C -2.521 172.228 174.700 0.080 0.000 1.008 148 T CA -1.916 60.250 62.100 0.110 0.000 0.997 148 T CB 1.724 70.642 68.868 0.085 0.000 0.992 148 T HN -0.146 nan 8.240 nan 0.000 0.454 149 P HA 0.361 nan 4.420 nan 0.000 0.279 149 P C 0.415 177.736 177.300 0.034 0.000 1.282 149 P CA -0.289 62.834 63.100 0.038 0.000 0.788 149 P CB 0.824 32.532 31.700 0.014 0.000 1.139 150 G N -0.300 108.518 108.800 0.030 0.000 2.728 150 G HA2 0.278 4.234 3.960 -0.007 0.000 0.223 150 G HA3 0.278 4.234 3.960 -0.007 0.000 0.223 150 G C -0.097 174.811 174.900 0.013 0.000 1.379 150 G CA 0.471 45.588 45.100 0.028 0.000 0.870 150 G HN 0.739 nan 8.290 nan 0.000 0.591 151 T N -1.689 112.872 114.554 0.011 0.000 2.896 151 T HA 0.732 5.077 4.350 -0.007 0.000 0.297 151 T C -1.328 173.368 174.700 -0.007 0.000 1.108 151 T CA -0.676 61.423 62.100 -0.002 0.000 1.004 151 T CB 2.713 71.581 68.868 0.000 0.000 1.159 151 T HN 0.071 nan 8.240 nan 0.000 0.499 152 I N 0.469 121.027 120.570 -0.020 0.000 2.894 152 I HA 0.683 4.848 4.170 -0.007 0.000 0.302 152 I C 0.333 176.424 176.117 -0.043 0.000 1.188 152 I CA -1.341 59.940 61.300 -0.033 0.000 1.014 152 I CB 1.918 39.890 38.000 -0.047 0.000 1.242 152 I HN 1.027 nan 8.210 nan 0.000 0.430 153 A N 2.311 125.097 122.820 -0.057 0.000 2.545 153 A HA 0.207 4.523 4.320 -0.007 0.000 0.263 153 A C 1.221 178.736 177.584 -0.116 0.000 1.202 153 A CA 0.231 52.222 52.037 -0.077 0.000 0.959 153 A CB -0.309 18.651 19.000 -0.065 0.000 1.124 153 A HN 0.710 nan 8.150 nan 0.000 0.543 154 T N -0.151 114.334 114.554 -0.115 0.000 2.881 154 T HA -0.016 4.330 4.350 -0.007 0.000 0.270 154 T C 2.035 176.637 174.700 -0.165 0.000 1.068 154 T CA 1.442 63.457 62.100 -0.143 0.000 1.131 154 T CB -0.168 68.619 68.868 -0.136 0.000 0.871 154 T HN 0.525 nan 8.240 nan 0.000 0.479 155 A N 2.082 124.813 122.820 -0.148 0.000 1.840 155 A HA 0.027 4.342 4.320 -0.007 0.000 0.214 155 A C 2.456 179.893 177.584 -0.245 0.000 1.198 155 A CA 1.768 53.709 52.037 -0.160 0.000 0.608 155 A CB -0.620 18.304 19.000 -0.126 0.000 0.839 155 A HN 0.588 nan 8.150 nan 0.000 0.443 156 T N -7.395 107.023 114.554 -0.227 0.000 3.130 156 T HA 0.423 4.769 4.350 -0.007 0.000 0.288 156 T C 0.710 175.272 174.700 -0.230 0.000 0.936 156 T CA 0.626 62.556 62.100 -0.284 0.000 0.897 156 T CB 0.791 69.549 68.868 -0.183 0.000 1.178 156 T HN 0.353 nan 8.240 nan 0.000 0.543 157 R N -0.472 119.895 120.500 -0.222 0.000 3.205 157 R HA -0.077 4.259 4.340 -0.007 0.000 0.425 157 R C -0.567 175.635 176.300 -0.163 0.000 0.465 157 R CA 0.911 56.859 56.100 -0.254 0.000 1.455 157 R CB -2.322 27.761 30.300 -0.362 0.000 1.999 157 R HN 0.571 nan 8.270 nan 0.000 0.317 158 L N 1.567 122.729 121.223 -0.102 0.000 2.410 158 L HA 0.235 4.570 4.340 -0.007 0.000 0.273 158 L C 0.474 177.318 176.870 -0.042 0.000 1.144 158 L CA -0.454 54.350 54.840 -0.061 0.000 0.863 158 L CB 0.988 43.031 42.059 -0.026 0.000 1.140 158 L HN -0.157 nan 8.230 nan 0.000 0.463 159 V N 6.408 126.297 119.914 -0.042 0.000 2.409 159 V HA 0.109 4.224 4.120 -0.007 0.000 0.270 159 V C 0.373 176.452 176.094 -0.026 0.000 1.019 159 V CA 0.452 62.734 62.300 -0.030 0.000 1.066 159 V CB -0.207 31.604 31.823 -0.021 0.000 1.021 159 V HN 0.475 nan 8.190 nan 0.000 0.476 160 L N 4.209 125.424 121.223 -0.015 0.000 2.350 160 L HA 0.636 4.972 4.340 -0.007 0.000 0.260 160 L C 0.378 177.239 176.870 -0.015 0.000 1.015 160 L CA -0.775 54.063 54.840 -0.002 0.000 0.821 160 L CB 2.692 44.776 42.059 0.041 0.000 1.370 160 L HN 0.580 nan 8.230 nan 0.000 0.416 161 T N -2.876 111.669 114.554 -0.016 0.000 2.904 161 T HA 0.286 4.632 4.350 -0.007 0.000 0.290 161 T C -2.067 172.608 174.700 -0.041 0.000 1.018 161 T CA -1.718 60.367 62.100 -0.026 0.000 1.075 161 T CB 1.328 70.179 68.868 -0.028 0.000 0.986 161 T HN 0.311 nan 8.240 nan 0.000 0.523 162 P HA -0.174 nan 4.420 nan 0.000 0.216 162 P C 1.580 178.818 177.300 -0.104 0.000 1.154 162 P CA 1.166 64.220 63.100 -0.076 0.000 0.865 162 P CB 0.007 31.675 31.700 -0.052 0.000 0.789 163 R N 0.461 120.915 120.500 -0.078 0.000 2.152 163 R HA -0.143 4.192 4.340 -0.007 0.000 0.232 163 R C 1.743 178.000 176.300 -0.072 0.000 1.117 163 R CA 1.476 57.526 56.100 -0.083 0.000 0.981 163 R CB -0.352 29.902 30.300 -0.076 0.000 0.870 163 R HN 0.213 nan 8.270 nan 0.000 0.451 164 E N -0.441 119.735 120.200 -0.040 0.000 2.481 164 E HA 0.007 4.353 4.350 -0.007 0.000 0.195 164 E C -0.402 176.215 176.600 0.028 0.000 1.047 164 E CA 0.429 56.844 56.400 0.026 0.000 0.867 164 E CB 0.601 30.332 29.700 0.051 0.000 0.858 164 E HN 0.175 nan 8.360 nan 0.000 0.513 165 T N 2.777 117.268 114.554 -0.105 0.000 2.749 165 T HA 0.176 4.521 4.350 -0.007 0.000 0.287 165 T C -2.257 172.239 174.700 -0.341 0.000 0.970 165 T CA -1.502 60.486 62.100 -0.187 0.000 0.980 165 T CB 1.592 70.362 68.868 -0.163 0.000 0.924 165 T HN -0.045 nan 8.240 nan 0.000 0.456 166 P HA 0.260 nan 4.420 nan 0.000 0.218 166 P C -0.459 176.782 177.300 -0.098 0.000 1.826 166 P CA -0.184 62.771 63.100 -0.241 0.000 0.946 166 P CB 0.275 31.880 31.700 -0.158 0.000 1.728 167 Q N -0.840 118.835 119.800 -0.209 0.000 2.553 167 Q HA 0.421 4.756 4.340 -0.007 0.000 0.293 167 Q C -0.583 175.356 176.000 -0.101 0.000 1.038 167 Q CA -0.769 54.998 55.803 -0.061 0.000 0.777 167 Q CB 1.886 30.572 28.738 -0.087 0.000 1.487 167 Q HN -0.137 nan 8.270 nan 0.000 0.426 168 S N 1.211 116.891 115.700 -0.032 0.000 2.422 168 S HA 0.370 4.836 4.470 -0.007 0.000 0.283 168 S C -0.774 173.770 174.600 -0.093 0.000 1.163 168 S CA -0.206 57.968 58.200 -0.044 0.000 1.054 168 S CB -0.077 63.095 63.200 -0.047 0.000 0.967 168 S HN 0.355 nan 8.310 nan 0.000 0.499 169 I N 4.249 124.762 120.570 -0.095 0.000 2.411 169 I HA 0.360 4.525 4.170 -0.007 0.000 0.284 169 I C -0.365 175.708 176.117 -0.073 0.000 1.012 169 I CA 0.176 61.417 61.300 -0.098 0.000 1.119 169 I CB 1.351 39.288 38.000 -0.106 0.000 1.261 169 I HN 0.420 nan 8.210 nan 0.000 0.448 170 T N 6.104 120.611 114.554 -0.077 0.000 2.867 170 T HA 0.693 5.038 4.350 -0.007 0.000 0.282 170 T C -0.735 173.925 174.700 -0.067 0.000 1.000 170 T CA -0.500 61.565 62.100 -0.058 0.000 1.042 170 T CB 1.685 70.516 68.868 -0.060 0.000 0.973 170 T HN 0.310 nan 8.240 nan 0.000 0.465 171 V N 2.989 122.876 119.914 -0.046 0.000 2.638 171 V HA 0.396 4.512 4.120 -0.007 0.000 0.306 171 V C -0.431 175.637 176.094 -0.043 0.000 1.052 171 V CA -0.806 61.464 62.300 -0.050 0.000 0.885 171 V CB 2.246 34.051 31.823 -0.030 0.000 0.999 171 V HN 0.710 nan 8.190 nan 0.000 0.424 172 V N 4.546 124.420 119.914 -0.066 0.000 2.364 172 V HA 0.375 4.490 4.120 -0.007 0.000 0.272 172 V C 0.726 176.788 176.094 -0.054 0.000 1.036 172 V CA -0.235 62.020 62.300 -0.075 0.000 0.880 172 V CB 1.700 33.460 31.823 -0.105 0.000 0.991 172 V HN 1.060 nan 8.190 nan 0.000 0.460 173 T N 2.515 117.046 114.554 -0.039 0.000 2.874 173 T HA 0.312 4.658 4.350 -0.007 0.000 0.281 173 T C 1.146 175.845 174.700 -0.002 0.000 0.994 173 T CA -0.531 61.572 62.100 0.006 0.000 1.015 173 T CB 1.251 70.160 68.868 0.067 0.000 1.028 173 T HN 0.427 nan 8.240 nan 0.000 0.523 174 R N 0.702 121.221 120.500 0.032 0.000 2.119 174 R HA -0.169 4.166 4.340 -0.007 0.000 0.246 174 R C 2.410 178.729 176.300 0.031 0.000 1.146 174 R CA 2.122 58.243 56.100 0.036 0.000 0.962 174 R CB -1.170 29.163 30.300 0.053 0.000 0.863 174 R HN 0.818 nan 8.270 nan 0.000 0.442 175 Q N 0.006 119.849 119.800 0.071 0.000 2.079 175 Q HA -0.065 4.270 4.340 -0.007 0.000 0.200 175 Q C 1.735 177.773 176.000 0.063 0.000 0.974 175 Q CA 1.715 57.589 55.803 0.117 0.000 0.840 175 Q CB -0.493 28.399 28.738 0.257 0.000 0.898 175 Q HN 0.348 nan 8.270 nan 0.000 0.430 176 N N -0.292 118.320 118.700 -0.147 0.000 2.061 176 N HA -0.198 4.538 4.740 -0.007 0.000 0.193 176 N C 1.639 177.104 175.510 -0.076 0.000 1.030 176 N CA 1.819 54.627 53.050 -0.403 0.000 0.856 176 N CB -0.198 38.001 38.487 -0.481 0.000 1.023 176 N HN 0.346 nan 8.380 nan 0.000 0.424 177 M N 0.356 119.911 119.600 -0.076 0.000 2.065 177 M HA -0.177 4.298 4.480 -0.007 0.000 0.259 177 M C 1.368 177.648 176.300 -0.032 0.000 1.069 177 M CA 1.713 56.980 55.300 -0.056 0.000 1.110 177 M CB -0.212 32.367 32.600 -0.036 0.000 1.328 177 M HN 0.027 nan 8.290 nan 0.000 0.405 178 D N 0.318 120.703 120.400 -0.025 0.000 2.117 178 D HA -0.165 4.471 4.640 -0.007 0.000 0.197 178 D C 1.620 177.879 176.300 -0.068 0.000 0.987 178 D CA 1.242 55.219 54.000 -0.038 0.000 0.829 178 D CB -0.471 40.307 40.800 -0.036 0.000 0.961 178 D HN 0.321 nan 8.370 nan 0.000 0.460 179 D N -0.652 119.695 120.400 -0.089 0.000 2.117 179 D HA -0.075 4.561 4.640 -0.007 0.000 0.198 179 D C 1.362 177.384 176.300 -0.464 0.000 0.982 179 D CA 0.678 54.517 54.000 -0.269 0.000 0.828 179 D CB -0.211 40.420 40.800 -0.282 0.000 0.967 179 D HN 0.283 nan 8.370 nan 0.000 0.464 180 F N -0.294 119.622 119.950 -0.057 0.000 2.693 180 F HA 0.289 4.811 4.527 -0.008 0.000 0.303 180 F C 1.607 177.319 175.800 -0.147 0.000 1.097 180 F CA 0.010 57.954 58.000 -0.093 0.000 1.330 180 F CB 0.368 39.268 39.000 -0.167 0.000 1.067 180 F HN -0.070 nan 8.300 nan 0.000 0.565 181 G N 1.542 110.331 108.800 -0.017 0.000 2.249 181 G HA2 -0.318 3.638 3.960 -0.007 0.000 0.273 181 G HA3 -0.318 3.638 3.960 -0.007 0.000 0.273 181 G C 0.102 174.970 174.900 -0.053 0.000 1.036 181 G CA -0.262 44.820 45.100 -0.030 0.000 0.824 181 G HN 0.349 nan 8.290 nan 0.000 0.504 182 L N -0.174 120.990 121.223 -0.100 0.000 2.454 182 L HA 0.235 4.570 4.340 -0.007 0.000 0.284 182 L C 1.295 178.131 176.870 -0.055 0.000 1.139 182 L CA -0.023 54.733 54.840 -0.140 0.000 0.911 182 L CB 0.003 41.919 42.059 -0.239 0.000 1.262 182 L HN 0.251 nan 8.230 nan 0.000 0.453 183 N N 1.682 120.369 118.700 -0.020 0.000 2.280 183 N HA 0.005 4.741 4.740 -0.007 0.000 0.192 183 N C -0.161 175.370 175.510 0.035 0.000 1.109 183 N CA -0.185 52.875 53.050 0.016 0.000 0.855 183 N CB 0.322 38.826 38.487 0.028 0.000 0.974 183 N HN 0.668 nan 8.380 nan 0.000 0.482 184 N N -0.929 117.786 118.700 0.024 0.000 3.204 184 N HA 0.120 4.855 4.740 -0.007 0.000 0.285 184 N C 0.157 175.680 175.510 0.022 0.000 1.536 184 N CA -0.745 52.333 53.050 0.046 0.000 0.832 184 N CB 0.398 38.917 38.487 0.054 0.000 1.645 184 N HN -0.244 nan 8.380 nan 0.000 0.586 185 I N 0.242 120.837 120.570 0.042 0.000 2.439 185 I HA -0.058 4.108 4.170 -0.007 0.000 0.251 185 I C 0.867 176.965 176.117 -0.032 0.000 1.139 185 I CA 1.353 62.658 61.300 0.009 0.000 1.438 185 I CB -0.485 37.557 38.000 0.069 0.000 1.085 185 I HN 0.478 nan 8.210 nan 0.000 0.427 186 D N 0.858 121.292 120.400 0.057 0.000 2.092 186 D HA -0.191 4.445 4.640 -0.007 0.000 0.193 186 D C 1.768 178.066 176.300 -0.003 0.000 0.994 186 D CA 1.523 55.564 54.000 0.068 0.000 0.828 186 D CB -0.341 40.536 40.800 0.128 0.000 0.963 186 D HN 0.349 nan 8.370 nan 0.000 0.450 187 D N 0.131 120.527 120.400 -0.006 0.000 2.133 187 D HA -0.117 4.518 4.640 -0.007 0.000 0.195 187 D C 2.289 178.511 176.300 -0.131 0.000 0.997 187 D CA 0.508 54.475 54.000 -0.055 0.000 0.840 187 D CB -0.371 40.382 40.800 -0.078 0.000 0.947 187 D HN 0.099 nan 8.370 nan 0.000 0.452 188 V N 1.135 120.965 119.914 -0.140 0.000 2.358 188 V HA -0.231 3.885 4.120 -0.007 0.000 0.246 188 V C 2.481 178.476 176.094 -0.165 0.000 1.047 188 V CA 1.178 63.382 62.300 -0.162 0.000 1.035 188 V CB -0.313 31.423 31.823 -0.146 0.000 0.658 188 V HN 0.186 nan 8.190 nan 0.000 0.452 189 M N -0.289 119.162 119.600 -0.247 0.000 2.086 189 M HA -0.140 4.336 4.480 -0.007 0.000 0.261 189 M C 2.326 178.538 176.300 -0.146 0.000 1.067 189 M CA 1.696 56.800 55.300 -0.325 0.000 1.116 189 M CB -1.311 30.844 32.600 -0.742 0.000 1.348 189 M HN 0.289 nan 8.290 nan 0.000 0.407 190 R N -0.740 119.731 120.500 -0.048 0.000 2.139 190 R HA -0.195 4.140 4.340 -0.007 0.000 0.243 190 R C 1.438 177.791 176.300 0.088 0.000 1.145 190 R CA 1.304 57.443 56.100 0.065 0.000 0.976 190 R CB -0.609 29.783 30.300 0.153 0.000 0.866 190 R HN 0.493 nan 8.270 nan 0.000 0.449 191 H N -0.919 118.050 119.070 -0.169 0.000 2.526 191 H HA 0.149 4.700 4.556 -0.007 0.000 0.274 191 H C -0.290 174.938 175.328 -0.166 0.000 0.999 191 H CA 0.228 56.119 56.048 -0.262 0.000 1.157 191 H CB 0.531 29.983 29.762 -0.517 0.000 1.407 191 H HN -0.064 nan 8.280 nan 0.000 0.568 192 T N 4.209 118.737 114.554 -0.043 0.000 2.738 192 T HA 0.187 4.533 4.350 -0.007 0.000 0.298 192 T C -2.555 172.111 174.700 -0.056 0.000 0.962 192 T CA -1.690 60.370 62.100 -0.068 0.000 0.972 192 T CB 1.400 70.196 68.868 -0.120 0.000 0.928 192 T HN 0.060 nan 8.240 nan 0.000 0.474 193 P HA 0.166 nan 4.420 nan 0.000 0.261 193 P C 1.047 178.311 177.300 -0.059 0.000 1.183 193 P CA 0.687 63.770 63.100 -0.029 0.000 0.761 193 P CB 0.371 32.074 31.700 0.005 0.000 0.785 194 G N 2.535 111.284 108.800 -0.085 0.000 2.194 194 G HA2 -0.180 3.776 3.960 -0.007 0.000 0.236 194 G HA3 -0.180 3.776 3.960 -0.007 0.000 0.236 194 G C 0.026 174.868 174.900 -0.098 0.000 0.987 194 G CA -0.426 44.614 45.100 -0.102 0.000 0.635 194 G HN 0.461 nan 8.290 nan 0.000 0.520 195 I N 1.641 122.158 120.570 -0.088 0.000 2.498 195 I HA 0.575 4.740 4.170 -0.007 0.000 0.301 195 I C 0.311 176.405 176.117 -0.039 0.000 0.984 195 I CA -0.316 60.948 61.300 -0.060 0.000 1.204 195 I CB 1.364 39.304 38.000 -0.099 0.000 1.362 195 I HN 0.020 nan 8.210 nan 0.000 0.471 196 T N 4.488 119.068 114.554 0.044 0.000 2.812 196 T HA 0.519 4.865 4.350 -0.007 0.000 0.282 196 T C -0.271 174.543 174.700 0.190 0.000 0.990 196 T CA -0.501 61.647 62.100 0.080 0.000 0.960 196 T CB 1.984 70.894 68.868 0.071 0.000 0.948 196 T HN 0.221 nan 8.240 nan 0.000 0.438 197 V N 3.924 123.938 119.914 0.167 0.000 2.350 197 V HA 0.577 4.692 4.120 -0.007 0.000 0.276 197 V C 0.303 176.534 176.094 0.228 0.000 1.028 197 V CA -0.692 61.740 62.300 0.220 0.000 0.860 197 V CB 0.906 32.847 31.823 0.196 0.000 0.990 197 V HN 1.078 nan 8.190 nan 0.000 0.453 198 S N 3.721 119.524 115.700 0.172 0.000 2.568 198 S HA 0.903 5.369 4.470 -0.007 0.000 0.302 198 S C -0.208 174.335 174.600 -0.094 0.000 1.082 198 S CA -0.621 57.684 58.200 0.175 0.000 1.009 198 S CB 2.098 65.523 63.200 0.375 0.000 1.069 198 S HN 1.084 nan 8.310 nan 0.000 0.500 199 A N 1.169 123.957 122.820 -0.053 0.000 2.309 199 A HA 0.644 4.960 4.320 -0.007 0.000 0.298 199 A C -0.275 177.140 177.584 -0.282 0.000 1.165 199 A CA -0.574 51.389 52.037 -0.123 0.000 0.821 199 A CB -0.114 18.895 19.000 0.015 0.000 1.102 199 A HN 0.866 nan 8.150 nan 0.000 0.500 200 Y N 1.090 121.247 120.300 -0.239 0.000 2.266 200 Y HA 0.157 4.703 4.550 -0.007 0.000 0.294 200 Y C 0.727 176.653 175.900 0.042 0.000 1.127 200 Y CA 1.086 58.919 58.100 -0.444 0.000 1.140 200 Y CB 0.138 38.286 38.460 -0.520 0.000 1.071 200 Y HN 0.856 nan 8.280 nan 0.000 0.525 201 D N -4.356 116.187 120.400 0.238 0.000 2.851 201 D HA 0.090 4.725 4.640 -0.007 0.000 0.339 201 D C 0.644 177.003 176.300 0.098 0.000 1.347 201 D CA 0.128 54.264 54.000 0.228 0.000 0.888 201 D CB 0.157 41.165 40.800 0.347 0.000 1.431 201 D HN -0.067 nan 8.370 nan 0.000 0.509 202 T N -3.417 111.164 114.554 0.044 0.000 3.025 202 T HA -0.050 4.295 4.350 -0.007 0.000 0.270 202 T C 0.193 174.844 174.700 -0.081 0.000 1.126 202 T CA 1.288 63.296 62.100 -0.153 0.000 1.105 202 T CB -0.357 68.234 68.868 -0.462 0.000 0.884 202 T HN 0.456 nan 8.240 nan 0.000 0.522 203 D N 0.051 120.446 120.400 -0.007 0.000 2.540 203 D HA 0.200 4.836 4.640 -0.007 0.000 0.229 203 D C 0.109 176.185 176.300 -0.373 0.000 1.250 203 D CA -0.256 53.652 54.000 -0.153 0.000 0.817 203 D CB 0.861 41.567 40.800 -0.157 0.000 1.060 203 D HN 0.211 nan 8.370 nan 0.000 0.508 204 R N 0.976 121.364 120.500 -0.187 0.000 2.522 204 R HA 0.386 4.721 4.340 -0.007 0.000 0.283 204 R C -0.993 175.253 176.300 -0.090 0.000 1.074 204 R CA -0.353 55.642 56.100 -0.175 0.000 0.925 204 R CB 1.984 32.241 30.300 -0.071 0.000 1.205 204 R HN 0.008 nan 8.270 nan 0.000 0.436 205 N N 0.721 119.310 118.700 -0.185 0.000 2.518 205 N HA 0.348 5.084 4.740 -0.007 0.000 0.284 205 N C -0.940 174.235 175.510 -0.558 0.000 1.230 205 N CA -0.743 52.142 53.050 -0.274 0.000 0.941 205 N CB 1.186 39.651 38.487 -0.037 0.000 1.219 205 N HN 0.346 nan 8.380 nan 0.000 0.560 206 N N -0.126 118.202 118.700 -0.620 0.000 2.284 206 N HA 0.326 5.062 4.740 -0.007 0.000 0.300 206 N C -1.985 173.297 175.510 -0.379 0.000 1.047 206 N CA -0.458 52.164 53.050 -0.713 0.000 0.821 206 N CB 0.718 38.613 38.487 -0.987 0.000 1.337 206 N HN 0.340 nan 8.380 nan 0.000 0.482 207 Y N 2.510 122.646 120.300 -0.274 0.000 2.334 207 Y HA 0.384 4.929 4.550 -0.007 0.000 0.336 207 Y C -0.750 175.032 175.900 -0.198 0.000 0.960 207 Y CA -0.912 57.080 58.100 -0.180 0.000 1.164 207 Y CB 0.148 38.537 38.460 -0.118 0.000 1.155 207 Y HN 0.395 nan 8.280 nan 0.000 0.478 208 Y N 1.249 121.590 120.300 0.069 0.000 2.419 208 Y HA 0.779 5.325 4.550 -0.007 0.000 0.328 208 Y C 0.198 176.082 175.900 -0.027 0.000 1.162 208 Y CA -1.112 56.991 58.100 0.006 0.000 1.174 208 Y CB 1.650 40.084 38.460 -0.044 0.000 1.228 208 Y HN 0.624 nan 8.280 nan 0.000 0.473 209 A N 1.560 124.478 122.820 0.163 0.000 2.486 209 A HA 0.668 4.984 4.320 -0.007 0.000 0.300 209 A C -0.098 177.530 177.584 0.074 0.000 1.048 209 A CA -1.128 50.933 52.037 0.040 0.000 0.696 209 A CB 1.001 19.978 19.000 -0.037 0.000 1.278 209 A HN 0.927 nan 8.150 nan 0.000 0.405 210 R N 0.844 121.345 120.500 0.002 0.000 3.847 210 R HA -0.264 4.072 4.340 -0.007 0.000 0.304 210 R C 1.080 177.456 176.300 0.126 0.000 1.203 210 R CA 1.444 57.585 56.100 0.068 0.000 0.835 210 R CB -1.992 28.290 30.300 -0.030 0.000 1.253 210 R HN 2.534 nan 8.270 nan 0.000 0.516 211 G N -1.551 107.221 108.800 -0.046 0.000 2.179 211 G HA2 -0.273 3.682 3.960 -0.007 0.000 0.220 211 G HA3 -0.273 3.682 3.960 -0.007 0.000 0.220 211 G C -0.062 174.510 174.900 -0.547 0.000 0.990 211 G CA 0.020 44.906 45.100 -0.357 0.000 0.646 211 G HN 0.235 nan 8.290 nan 0.000 0.517 212 F N 1.369 121.396 119.950 0.127 0.000 2.563 212 F HA 0.677 5.199 4.527 -0.008 0.000 0.316 212 F C 0.678 176.546 175.800 0.115 0.000 1.076 212 F CA -0.824 57.243 58.000 0.113 0.000 0.921 212 F CB 2.168 41.175 39.000 0.013 0.000 1.209 212 F HN -0.010 nan 8.300 nan 0.000 0.462 213 S N 3.000 118.803 115.700 0.172 0.000 2.510 213 S HA 0.376 4.842 4.470 -0.007 0.000 0.279 213 S C -0.010 174.595 174.600 0.007 0.000 1.284 213 S CA -0.523 57.645 58.200 -0.053 0.000 1.059 213 S CB -0.035 63.100 63.200 -0.107 0.000 0.901 213 S HN 0.345 nan 8.310 nan 0.000 0.491 214 I N 3.305 123.850 120.570 -0.042 0.000 2.618 214 I HA 0.064 4.229 4.170 -0.007 0.000 0.284 214 I C 0.917 176.961 176.117 -0.123 0.000 1.146 214 I CA 0.257 61.495 61.300 -0.104 0.000 1.425 214 I CB 0.234 38.160 38.000 -0.124 0.000 1.383 214 I HN 0.684 nan 8.210 nan 0.000 0.562 215 N N 3.522 122.140 118.700 -0.138 0.000 2.217 215 N HA 0.135 4.870 4.740 -0.007 0.000 0.239 215 N C -1.033 174.448 175.510 -0.049 0.000 1.330 215 N CA -0.216 52.818 53.050 -0.028 0.000 0.838 215 N CB 0.426 38.916 38.487 0.004 0.000 1.287 215 N HN 0.473 nan 8.380 nan 0.000 0.498 216 N N 0.745 119.285 118.700 -0.267 0.000 2.437 216 N HA 0.290 5.025 4.740 -0.007 0.000 0.259 216 N C -1.410 173.813 175.510 -0.478 0.000 0.983 216 N CA 0.087 52.987 53.050 -0.249 0.000 0.937 216 N CB 0.769 39.104 38.487 -0.255 0.000 1.122 216 N HN 0.011 nan 8.380 nan 0.000 0.499 217 F N 0.733 120.606 119.950 -0.129 0.000 2.518 217 F HA 0.373 4.897 4.527 -0.005 0.000 0.323 217 F C 0.552 176.187 175.800 -0.275 0.000 1.129 217 F CA -0.731 57.132 58.000 -0.229 0.000 0.920 217 F CB 1.813 40.728 39.000 -0.141 0.000 1.160 217 F HN 0.123 nan 8.300 nan 0.000 0.440 218 Q N 1.863 121.485 119.800 -0.296 0.000 2.297 218 Q HA 0.596 4.932 4.340 -0.007 0.000 0.268 218 Q C -1.765 173.833 176.000 -0.671 0.000 1.045 218 Q CA -1.099 54.533 55.803 -0.284 0.000 0.861 218 Q CB 2.677 31.299 28.738 -0.194 0.000 1.344 218 Q HN 0.537 nan 8.270 nan 0.000 0.452 219 Y N 0.150 120.434 120.300 -0.026 0.000 2.361 219 Y HA 0.173 4.719 4.550 -0.007 0.000 0.337 219 Y C -0.522 175.345 175.900 -0.055 0.000 0.965 219 Y CA -1.066 57.009 58.100 -0.041 0.000 1.091 219 Y CB 1.478 39.929 38.460 -0.015 0.000 1.182 219 Y HN 0.613 nan 8.280 nan 0.000 0.450 220 D N 2.801 123.227 120.400 0.043 0.000 2.692 220 D HA -0.199 4.437 4.640 -0.007 0.000 0.233 220 D C 1.293 177.598 176.300 0.008 0.000 1.172 220 D CA 1.957 55.967 54.000 0.017 0.000 0.636 220 D CB -0.892 39.906 40.800 -0.003 0.000 1.028 220 D HN 1.168 nan 8.370 nan 0.000 0.419 221 G N -0.879 107.901 108.800 -0.033 0.000 2.155 221 G HA2 -0.299 3.656 3.960 -0.007 0.000 0.257 221 G HA3 -0.299 3.656 3.960 -0.007 0.000 0.257 221 G C 0.174 175.061 174.900 -0.022 0.000 0.983 221 G CA 0.239 45.308 45.100 -0.051 0.000 0.676 221 G HN 0.461 nan 8.290 nan 0.000 0.528 222 I N 1.985 122.568 120.570 0.021 0.000 2.382 222 I HA 0.354 4.519 4.170 -0.007 0.000 0.286 222 I C -1.944 174.214 176.117 0.068 0.000 1.002 222 I CA -3.560 57.776 61.300 0.059 0.000 1.135 222 I CB 1.269 39.327 38.000 0.098 0.000 1.288 222 I HN -0.120 nan 8.210 nan 0.000 0.448 223 P HA 0.099 nan 4.420 nan 0.000 0.268 223 P C -0.130 177.233 177.300 0.105 0.000 1.205 223 P CA 0.017 63.139 63.100 0.037 0.000 0.771 223 P CB 0.651 32.342 31.700 -0.016 0.000 0.858 224 S N 1.510 117.302 115.700 0.154 0.000 2.707 224 S HA 0.432 4.897 4.470 -0.007 0.000 0.276 224 S C 0.045 174.697 174.600 0.086 0.000 1.179 224 S CA -0.573 57.718 58.200 0.151 0.000 0.992 224 S CB 0.085 63.418 63.200 0.222 0.000 1.030 224 S HN 0.371 nan 8.310 nan 0.000 0.554 225 T N 1.314 115.907 114.554 0.065 0.000 2.771 225 T HA 0.603 4.948 4.350 -0.007 0.000 0.291 225 T C 0.412 175.105 174.700 -0.012 0.000 0.954 225 T CA -0.215 61.874 62.100 -0.018 0.000 1.045 225 T CB 1.059 69.874 68.868 -0.088 0.000 0.917 225 T HN 0.894 nan 8.240 nan 0.000 0.484 226 A N 3.630 126.426 122.820 -0.040 0.000 2.643 226 A HA 0.297 4.613 4.320 -0.007 0.000 0.295 226 A C 1.831 179.388 177.584 -0.045 0.000 1.065 226 A CA -0.417 51.620 52.037 -0.000 0.000 0.986 226 A CB -0.063 19.002 19.000 0.108 0.000 1.212 226 A HN 0.828 nan 8.150 nan 0.000 0.516 227 R N 0.707 121.103 120.500 -0.175 0.000 2.165 227 R HA -0.253 4.083 4.340 -0.007 0.000 0.254 227 R C 0.462 176.782 176.300 0.034 0.000 1.153 227 R CA 2.327 58.357 56.100 -0.117 0.000 0.971 227 R CB -0.175 29.942 30.300 -0.306 0.000 0.878 227 R HN 0.910 nan 8.270 nan 0.000 0.449 228 N N -4.488 114.259 118.700 0.079 0.000 3.308 228 N HA 0.006 4.741 4.740 -0.007 0.000 0.276 228 N C 0.452 175.913 175.510 -0.083 0.000 1.533 228 N CA -0.118 52.959 53.050 0.044 0.000 0.878 228 N CB 0.813 39.372 38.487 0.119 0.000 1.566 228 N HN -0.206 nan 8.380 nan 0.000 0.546 229 V N -3.052 116.767 119.914 -0.158 0.000 2.867 229 V HA 0.112 4.228 4.120 -0.007 0.000 0.260 229 V C 1.805 177.612 176.094 -0.479 0.000 1.099 229 V CA 1.866 64.027 62.300 -0.230 0.000 1.122 229 V CB -1.540 30.191 31.823 -0.153 0.000 0.708 229 V HN 0.795 nan 8.190 nan 0.000 0.490 230 G N -0.460 107.837 108.800 -0.837 0.000 2.453 230 G HA2 -0.256 3.699 3.960 -0.007 0.000 0.215 230 G HA3 -0.256 3.699 3.960 -0.007 0.000 0.215 230 G C 1.336 175.561 174.900 -1.125 0.000 1.201 230 G CA 1.182 45.320 45.100 -1.604 0.000 0.784 230 G HN 0.589 nan 8.290 nan 0.000 0.545 231 Y N 0.243 120.068 120.300 -0.792 0.000 2.574 231 Y HA 0.113 4.660 4.550 -0.005 0.000 0.294 231 Y C 2.761 178.502 175.900 -0.264 0.000 1.142 231 Y CA 1.184 59.043 58.100 -0.401 0.000 1.314 231 Y CB 0.328 38.656 38.460 -0.220 0.000 0.991 231 Y HN 0.318 nan 8.280 nan 0.000 0.555 232 S N -0.709 114.896 115.700 -0.158 0.000 2.733 232 S HA 0.416 4.882 4.470 -0.007 0.000 0.247 232 S C 0.601 175.079 174.600 -0.203 0.000 1.043 232 S CA -0.080 58.032 58.200 -0.145 0.000 1.066 232 S CB -0.433 62.700 63.200 -0.111 0.000 1.045 232 S HN 0.224 nan 8.310 nan 0.000 0.586 233 A N 0.706 123.414 122.820 -0.186 0.000 2.615 233 A HA 0.361 4.677 4.320 -0.007 0.000 0.240 233 A C 1.644 179.096 177.584 -0.219 0.000 1.003 233 A CA 1.088 53.028 52.037 -0.163 0.000 0.778 233 A CB -1.167 17.778 19.000 -0.091 0.000 0.907 233 A HN 1.657 nan 8.150 nan 0.000 0.507 234 G N 2.300 110.949 108.800 -0.252 0.000 2.212 234 G HA2 -0.332 3.623 3.960 -0.007 0.000 0.266 234 G HA3 -0.332 3.623 3.960 -0.007 0.000 0.266 234 G C 0.816 175.569 174.900 -0.243 0.000 0.978 234 G CA 0.905 45.868 45.100 -0.228 0.000 0.632 234 G HN 0.825 nan 8.290 nan 0.000 0.537 235 N N 0.080 118.574 118.700 -0.344 0.000 2.223 235 N HA -0.028 4.708 4.740 -0.007 0.000 0.185 235 N C 2.204 177.460 175.510 -0.423 0.000 1.016 235 N CA 1.885 54.611 53.050 -0.541 0.000 0.863 235 N CB -0.395 37.507 38.487 -0.976 0.000 0.983 235 N HN 0.578 nan 8.380 nan 0.000 0.429 236 T N -1.077 113.314 114.554 -0.271 0.000 3.118 236 T HA 0.130 4.475 4.350 -0.007 0.000 0.260 236 T C 1.182 175.892 174.700 0.016 0.000 1.139 236 T CA 0.463 62.517 62.100 -0.077 0.000 1.085 236 T CB 0.058 68.809 68.868 -0.193 0.000 0.934 236 T HN 0.114 nan 8.240 nan 0.000 0.518 237 L N 0.885 122.078 121.223 -0.050 0.000 2.966 237 L HA 0.362 4.697 4.340 -0.007 0.000 0.262 237 L C 0.389 177.270 176.870 0.018 0.000 1.165 237 L CA -0.354 54.474 54.840 -0.020 0.000 0.978 237 L CB 0.584 42.598 42.059 -0.075 0.000 1.337 237 L HN 0.078 nan 8.230 nan 0.000 0.563 238 S N 0.970 116.696 115.700 0.043 0.000 2.575 238 S HA -0.067 4.399 4.470 -0.007 0.000 0.295 238 S C 0.093 174.783 174.600 0.150 0.000 1.267 238 S CA 0.014 58.284 58.200 0.117 0.000 1.074 238 S CB 0.458 63.782 63.200 0.208 0.000 0.829 238 S HN 0.173 nan 8.310 nan 0.000 0.497 239 D N 1.816 122.297 120.400 0.135 0.000 2.424 239 D HA 0.016 4.652 4.640 -0.007 0.000 0.244 239 D C 0.688 177.099 176.300 0.185 0.000 1.134 239 D CA -0.282 53.787 54.000 0.115 0.000 0.881 239 D CB 0.505 41.339 40.800 0.057 0.000 1.191 239 D HN 0.329 nan 8.370 nan 0.000 0.445 240 M N 3.016 122.711 119.600 0.159 0.000 2.659 240 M HA -0.017 4.459 4.480 -0.007 0.000 0.243 240 M C 1.815 178.179 176.300 0.106 0.000 1.111 240 M CA 0.240 55.667 55.300 0.211 0.000 1.070 240 M CB -1.117 31.556 32.600 0.123 0.000 1.525 240 M HN 0.485 nan 8.290 nan 0.000 0.517 241 A N 1.014 123.856 122.820 0.036 0.000 2.024 241 A HA -0.127 4.189 4.320 -0.007 0.000 0.220 241 A C 1.920 179.469 177.584 -0.059 0.000 1.164 241 A CA 1.390 53.434 52.037 0.012 0.000 0.643 241 A CB -0.777 18.233 19.000 0.017 0.000 0.806 241 A HN 0.662 nan 8.150 nan 0.000 0.451 242 I N -5.468 114.931 120.570 -0.286 0.000 4.018 242 I HA 0.341 4.506 4.170 -0.007 0.000 0.337 242 I C -0.468 175.312 176.117 -0.563 0.000 1.327 242 I CA -0.643 60.376 61.300 -0.469 0.000 1.100 242 I CB 0.172 37.631 38.000 -0.902 0.000 1.025 242 I HN 0.079 nan 8.210 nan 0.000 0.396 243 Y N 1.090 121.386 120.300 -0.008 0.000 2.409 243 Y HA 0.339 4.884 4.550 -0.008 0.000 0.339 243 Y C 0.933 176.850 175.900 0.027 0.000 1.033 243 Y CA -0.892 57.209 58.100 0.002 0.000 1.094 243 Y CB 1.467 39.926 38.460 -0.003 0.000 1.210 243 Y HN -0.078 nan 8.280 nan 0.000 0.456 244 D N 1.251 121.767 120.400 0.193 0.000 2.149 244 D HA -0.000 4.635 4.640 -0.007 0.000 0.201 244 D C -0.022 176.338 176.300 0.099 0.000 0.972 244 D CA 0.984 55.061 54.000 0.128 0.000 0.835 244 D CB 0.439 41.306 40.800 0.112 0.000 0.966 244 D HN 0.664 nan 8.370 nan 0.000 0.476 245 R N -1.571 118.983 120.500 0.090 0.000 2.709 245 R HA 0.425 4.761 4.340 -0.007 0.000 0.270 245 R C -1.853 174.429 176.300 -0.030 0.000 1.038 245 R CA -1.061 55.053 56.100 0.024 0.000 0.872 245 R CB 1.161 31.469 30.300 0.015 0.000 1.259 245 R HN -0.096 nan 8.270 nan 0.000 0.473 246 V N 0.565 120.432 119.914 -0.078 0.000 2.495 246 V HA 0.543 4.658 4.120 -0.007 0.000 0.298 246 V C -0.623 175.395 176.094 -0.128 0.000 1.031 246 V CA -0.367 61.848 62.300 -0.141 0.000 0.871 246 V CB 1.673 33.382 31.823 -0.191 0.000 0.988 246 V HN 0.901 nan 8.190 nan 0.000 0.432 247 E N 5.507 125.622 120.200 -0.142 0.000 2.158 247 E HA 0.563 4.909 4.350 -0.007 0.000 0.271 247 E C -0.901 175.602 176.600 -0.162 0.000 0.911 247 E CA -0.796 55.526 56.400 -0.130 0.000 0.767 247 E CB 2.177 31.814 29.700 -0.105 0.000 1.120 247 E HN 0.829 nan 8.360 nan 0.000 0.405 248 V N 4.117 123.939 119.914 -0.154 0.000 2.370 248 V HA 0.408 4.524 4.120 -0.007 0.000 0.283 248 V C -1.093 174.906 176.094 -0.160 0.000 1.023 248 V CA -0.860 61.335 62.300 -0.174 0.000 0.857 248 V CB 1.082 32.792 31.823 -0.188 0.000 0.985 248 V HN 0.667 nan 8.190 nan 0.000 0.443 249 L N 7.391 128.508 121.223 -0.176 0.000 2.276 249 L HA 0.592 4.928 4.340 -0.007 0.000 0.286 249 L C 0.005 176.768 176.870 -0.179 0.000 1.024 249 L CA 0.043 54.784 54.840 -0.165 0.000 0.826 249 L CB 0.967 42.926 42.059 -0.167 0.000 1.211 249 L HN 0.721 nan 8.230 nan 0.000 0.422 250 K N 3.937 124.231 120.400 -0.177 0.000 2.138 250 K HA 0.853 5.168 4.320 -0.007 0.000 0.263 250 K C 0.090 176.555 176.600 -0.225 0.000 0.965 250 K CA -0.166 55.997 56.287 -0.207 0.000 0.868 250 K CB 1.817 34.182 32.500 -0.224 0.000 1.083 250 K HN 0.856 nan 8.250 nan 0.000 0.443 251 G N 0.943 109.596 108.800 -0.245 0.000 2.181 251 G HA2 0.135 4.091 3.960 -0.007 0.000 0.098 251 G HA3 0.135 4.091 3.960 -0.007 0.000 0.098 251 G C -1.659 173.094 174.900 -0.245 0.000 1.237 251 G CA -0.270 44.683 45.100 -0.244 0.000 1.238 251 G HN 0.693 nan 8.290 nan 0.000 0.468 252 A N 0.457 123.130 122.820 -0.245 0.000 2.311 252 A HA 0.754 5.070 4.320 -0.007 0.000 0.306 252 A C 0.428 177.874 177.584 -0.229 0.000 1.189 252 A CA 0.796 52.675 52.037 -0.264 0.000 0.791 252 A CB 0.895 19.719 19.000 -0.293 0.000 1.172 252 A HN 2.028 nan 8.150 nan 0.000 0.481 253 T N -0.181 114.239 114.554 -0.222 0.000 3.268 253 T HA 0.336 4.681 4.350 -0.007 0.000 0.258 253 T C 1.246 175.825 174.700 -0.201 0.000 0.966 253 T CA 0.428 62.413 62.100 -0.193 0.000 0.952 253 T CB 0.337 69.086 68.868 -0.198 0.000 1.132 253 T HN 0.763 nan 8.240 nan 0.000 0.536 254 G N 1.707 110.387 108.800 -0.200 0.000 2.432 254 G HA2 -0.141 3.815 3.960 -0.007 0.000 0.219 254 G HA3 -0.141 3.815 3.960 -0.007 0.000 0.219 254 G C 1.255 176.032 174.900 -0.204 0.000 1.135 254 G CA 0.814 45.786 45.100 -0.213 0.000 0.767 254 G HN 0.540 nan 8.290 nan 0.000 0.550 255 L N -0.010 121.107 121.223 -0.178 0.000 2.043 255 L HA -0.011 4.325 4.340 -0.007 0.000 0.212 255 L C 2.307 178.970 176.870 -0.345 0.000 1.075 255 L CA 1.732 56.441 54.840 -0.217 0.000 0.752 255 L CB -0.179 41.744 42.059 -0.227 0.000 0.891 255 L HN 0.261 nan 8.230 nan 0.000 0.432 256 L N -2.923 118.091 121.223 -0.349 0.000 2.672 256 L HA 0.093 4.429 4.340 -0.007 0.000 0.236 256 L C 1.899 178.590 176.870 -0.298 0.000 1.092 256 L CA 0.445 55.030 54.840 -0.425 0.000 0.887 256 L CB -0.202 41.609 42.059 -0.412 0.000 1.168 256 L HN 0.053 nan 8.230 nan 0.000 0.502 257 T N -0.205 114.201 114.554 -0.246 0.000 2.937 257 T HA 0.204 4.550 4.350 -0.007 0.000 0.260 257 T C 1.151 175.734 174.700 -0.195 0.000 1.051 257 T CA 0.993 62.970 62.100 -0.205 0.000 1.141 257 T CB 0.059 68.798 68.868 -0.216 0.000 0.879 257 T HN 0.550 nan 8.240 nan 0.000 0.459 258 G N 1.302 109.968 108.800 -0.224 0.000 2.553 258 G HA2 0.011 3.967 3.960 -0.007 0.000 0.242 258 G HA3 0.011 3.967 3.960 -0.007 0.000 0.242 258 G C 0.149 174.792 174.900 -0.427 0.000 1.277 258 G CA -0.439 44.512 45.100 -0.249 0.000 0.910 258 G HN 0.969 nan 8.290 nan 0.000 0.576 259 A N 0.189 122.655 122.820 -0.590 0.000 2.592 259 A HA 0.560 4.875 4.320 -0.007 0.000 0.250 259 A C 1.351 178.644 177.584 -0.486 0.000 1.017 259 A CA 2.176 53.728 52.037 -0.808 0.000 0.794 259 A CB -0.724 17.732 19.000 -0.907 0.000 0.917 259 A HN 2.675 nan 8.150 nan 0.000 0.515 260 G N 0.932 109.454 108.800 -0.463 0.000 2.490 260 G HA2 0.612 4.568 3.960 -0.007 0.000 0.308 260 G HA3 0.612 4.568 3.960 -0.007 0.000 0.308 260 G C -0.365 174.380 174.900 -0.259 0.000 1.286 260 G CA 0.115 45.035 45.100 -0.300 0.000 0.825 260 G HN 1.553 nan 8.290 nan 0.000 0.479 261 S N -0.941 114.636 115.700 -0.206 0.000 2.652 261 S HA 0.745 5.211 4.470 -0.007 0.000 0.270 261 S C 0.376 174.821 174.600 -0.259 0.000 1.243 261 S CA -0.649 57.440 58.200 -0.185 0.000 0.999 261 S CB 1.254 64.386 63.200 -0.113 0.000 0.973 261 S HN 0.606 nan 8.310 nan 0.000 0.544 262 L N 0.968 121.970 121.223 -0.368 0.000 2.479 262 L HA 0.567 4.903 4.340 -0.007 0.000 0.248 262 L C 1.752 178.400 176.870 -0.370 0.000 1.205 262 L CA 0.686 55.192 54.840 -0.558 0.000 0.817 262 L CB -0.195 41.144 42.059 -1.200 0.000 1.162 262 L HN 1.123 nan 8.230 nan 0.000 0.486 263 G N -0.045 108.574 108.800 -0.303 0.000 3.922 263 G HA2 -0.017 3.939 3.960 -0.007 0.000 0.208 263 G HA3 -0.017 3.939 3.960 -0.007 0.000 0.208 263 G C -0.105 174.704 174.900 -0.152 0.000 1.491 263 G CA 0.201 45.251 45.100 -0.083 0.000 1.017 263 G HN 1.324 nan 8.290 nan 0.000 0.603 264 A N -2.026 120.687 122.820 -0.179 0.000 2.544 264 A HA 0.771 5.087 4.320 -0.007 0.000 0.291 264 A C -0.677 176.759 177.584 -0.246 0.000 1.055 264 A CA 0.875 52.788 52.037 -0.206 0.000 0.651 264 A CB 0.649 19.536 19.000 -0.189 0.000 1.296 264 A HN 1.300 nan 8.150 nan 0.000 0.431 265 T N 0.880 115.280 114.554 -0.256 0.000 2.863 265 T HA 0.642 4.988 4.350 -0.007 0.000 0.285 265 T C -0.574 173.934 174.700 -0.319 0.000 1.009 265 T CA -0.110 61.811 62.100 -0.299 0.000 0.989 265 T CB 0.875 69.588 68.868 -0.257 0.000 1.004 265 T HN 0.465 nan 8.240 nan 0.000 0.455 266 I N 3.541 123.861 120.570 -0.418 0.000 2.339 266 I HA 0.388 4.554 4.170 -0.007 0.000 0.290 266 I C -0.108 175.796 176.117 -0.355 0.000 0.994 266 I CA -0.695 60.373 61.300 -0.387 0.000 1.191 266 I CB 1.177 38.895 38.000 -0.468 0.000 1.343 266 I HN 0.425 nan 8.210 nan 0.000 0.458 267 N N 7.128 125.649 118.700 -0.298 0.000 2.443 267 N HA 0.499 5.234 4.740 -0.007 0.000 0.269 267 N C -1.521 173.809 175.510 -0.300 0.000 0.985 267 N CA -0.428 52.444 53.050 -0.298 0.000 0.921 267 N CB 1.139 39.495 38.487 -0.219 0.000 1.195 267 N HN 0.369 nan 8.380 nan 0.000 0.492 268 L N 4.256 125.236 121.223 -0.405 0.000 2.272 268 L HA 0.496 4.832 4.340 -0.007 0.000 0.289 268 L C -0.314 176.468 176.870 -0.146 0.000 1.032 268 L CA -0.484 54.103 54.840 -0.423 0.000 0.810 268 L CB 1.031 42.606 42.059 -0.807 0.000 1.205 268 L HN 0.444 nan 8.230 nan 0.000 0.422 269 I N 3.523 124.090 120.570 -0.005 0.000 2.336 269 I HA 0.384 4.549 4.170 -0.007 0.000 0.292 269 I C 0.596 176.878 176.117 0.276 0.000 0.991 269 I CA -0.471 60.893 61.300 0.107 0.000 1.227 269 I CB 1.212 39.251 38.000 0.065 0.000 1.366 269 I HN 0.580 nan 8.210 nan 0.000 0.466 270 R N 3.913 124.562 120.500 0.248 0.000 2.582 270 R HA 0.267 4.602 4.340 -0.007 0.000 0.271 270 R C 0.057 176.458 176.300 0.168 0.000 1.078 270 R CA -0.706 55.502 56.100 0.181 0.000 1.127 270 R CB 1.031 31.377 30.300 0.076 0.000 1.038 270 R HN 0.452 nan 8.270 nan 0.000 0.500 271 K N 1.939 122.426 120.400 0.144 0.000 2.414 271 K HA 0.033 4.348 4.320 -0.007 0.000 0.272 271 K C -0.107 176.651 176.600 0.263 0.000 0.993 271 K CA 0.629 57.035 56.287 0.198 0.000 0.964 271 K CB 0.557 33.170 32.500 0.188 0.000 0.925 271 K HN 0.285 nan 8.250 nan 0.000 0.487 272 K N 2.181 122.681 120.400 0.167 0.000 2.400 272 K HA 0.424 4.739 4.320 -0.007 0.000 0.246 272 K C -2.583 174.051 176.600 0.057 0.000 0.995 272 K CA -2.204 54.163 56.287 0.133 0.000 0.840 272 K CB 1.750 34.323 32.500 0.121 0.000 1.293 272 K HN 0.304 nan 8.250 nan 0.000 0.445 273 P HA 0.114 nan 4.420 nan 0.000 0.274 273 P C -0.939 176.335 177.300 -0.044 0.000 1.237 273 P CA -0.372 62.692 63.100 -0.059 0.000 0.793 273 P CB 0.756 32.385 31.700 -0.118 0.000 0.977 274 T N -3.139 111.371 114.554 -0.074 0.000 2.906 274 T HA 0.389 4.734 4.350 -0.007 0.000 0.295 274 T C 0.398 175.046 174.700 -0.087 0.000 1.075 274 T CA -0.383 61.707 62.100 -0.017 0.000 1.005 274 T CB 0.912 69.775 68.868 -0.009 0.000 1.136 274 T HN 0.251 nan 8.240 nan 0.000 0.498 275 H N -0.060 118.966 119.070 -0.073 0.000 2.551 275 H HA 0.242 4.794 4.556 -0.007 0.000 0.266 275 H C 0.456 175.743 175.328 -0.067 0.000 0.964 275 H CA 0.437 56.430 56.048 -0.091 0.000 1.180 275 H CB 0.307 29.979 29.762 -0.149 0.000 1.408 275 H HN 0.742 nan 8.280 nan 0.000 0.563 276 E N -0.092 120.143 120.200 0.058 0.000 2.227 276 E HA 0.219 4.565 4.350 -0.007 0.000 0.268 276 E C -0.926 175.714 176.600 0.067 0.000 0.907 276 E CA -1.180 55.259 56.400 0.065 0.000 0.786 276 E CB 1.512 31.247 29.700 0.057 0.000 1.191 276 E HN 0.051 nan 8.360 nan 0.000 0.411 277 F N 2.825 122.772 119.950 -0.006 0.000 2.572 277 F HA 0.205 4.728 4.527 -0.008 0.000 0.370 277 F C -0.125 175.699 175.800 0.040 0.000 1.103 277 F CA 0.570 58.569 58.000 -0.002 0.000 1.286 277 F CB 0.368 39.361 39.000 -0.012 0.000 1.105 277 F HN 0.615 nan 8.300 nan 0.000 0.583 278 K N 4.129 123.895 120.400 -1.058 0.000 2.660 278 K HA 0.786 5.102 4.320 -0.007 0.000 0.285 278 K C -1.227 175.005 176.600 -0.615 0.000 0.997 278 K CA -0.854 55.001 56.287 -0.720 0.000 0.861 278 K CB 1.322 33.703 32.500 -0.198 0.000 1.469 278 K HN 0.992 nan 8.250 nan 0.000 0.395 279 G N 0.578 109.249 108.800 -0.214 0.000 2.428 279 G HA2 0.520 4.476 3.960 -0.007 0.000 0.304 279 G HA3 0.520 4.476 3.960 -0.007 0.000 0.304 279 G C -1.878 172.758 174.900 -0.440 0.000 1.303 279 G CA -0.534 44.478 45.100 -0.147 0.000 0.825 279 G HN 1.076 nan 8.290 nan 0.000 0.484 280 H N -2.519 116.228 119.070 -0.538 0.000 2.966 280 H HA 0.802 5.353 4.556 -0.007 0.000 0.330 280 H C -1.624 173.376 175.328 -0.547 0.000 1.292 280 H CA -0.978 54.569 56.048 -0.834 0.000 1.127 280 H CB 1.419 30.934 29.762 -0.412 0.000 1.863 280 H HN 0.640 nan 8.280 nan 0.000 0.543 281 V N 0.262 119.967 119.914 -0.348 0.000 2.769 281 V HA 0.397 4.512 4.120 -0.007 0.000 0.312 281 V C -0.274 175.883 176.094 0.104 0.000 1.061 281 V CA -0.754 61.496 62.300 -0.083 0.000 0.931 281 V CB 2.028 33.831 31.823 -0.034 0.000 1.010 281 V HN 0.832 nan 8.190 nan 0.000 0.433 282 E N 2.081 122.368 120.200 0.145 0.000 2.293 282 E HA 0.742 5.088 4.350 -0.007 0.000 0.270 282 E C -1.835 174.850 176.600 0.142 0.000 0.879 282 E CA -0.577 55.913 56.400 0.150 0.000 0.756 282 E CB 2.168 31.956 29.700 0.146 0.000 1.208 282 E HN 0.574 nan 8.360 nan 0.000 0.428 283 L N 2.119 123.429 121.223 0.144 0.000 2.381 283 L HA 0.835 5.171 4.340 -0.007 0.000 0.268 283 L C -0.061 176.893 176.870 0.140 0.000 0.997 283 L CA -0.844 54.085 54.840 0.149 0.000 0.818 283 L CB 2.259 44.411 42.059 0.155 0.000 1.310 283 L HN 0.651 nan 8.230 nan 0.000 0.416 284 G N 1.266 110.154 108.800 0.147 0.000 2.719 284 G HA2 0.735 4.691 3.960 -0.007 0.000 0.298 284 G HA3 0.735 4.691 3.960 -0.007 0.000 0.298 284 G C -1.875 173.109 174.900 0.141 0.000 1.411 284 G CA -0.416 44.764 45.100 0.133 0.000 0.991 284 G HN 0.712 nan 8.290 nan 0.000 0.509 285 A N 0.633 123.532 122.820 0.131 0.000 2.353 285 A HA 0.940 5.255 4.320 -0.007 0.000 0.299 285 A C 0.230 177.823 177.584 0.016 0.000 1.089 285 A CA 0.023 52.080 52.037 0.034 0.000 0.736 285 A CB 1.514 20.563 19.000 0.082 0.000 1.195 285 A HN 1.648 nan 8.150 nan 0.000 0.447 286 G N 0.317 109.041 108.800 -0.127 0.000 2.788 286 G HA2 0.568 4.524 3.960 -0.007 0.000 0.293 286 G HA3 0.568 4.524 3.960 -0.007 0.000 0.293 286 G C -0.154 174.623 174.900 -0.205 0.000 1.305 286 G CA -0.513 44.526 45.100 -0.102 0.000 1.005 286 G HN 0.833 nan 8.290 nan 0.000 0.496 287 S N 0.369 115.886 115.700 -0.306 0.000 2.558 287 S HA 0.088 4.553 4.470 -0.007 0.000 0.287 287 S C -0.113 174.252 174.600 -0.392 0.000 1.321 287 S CA 0.517 58.339 58.200 -0.631 0.000 1.048 287 S CB -0.139 62.278 63.200 -1.305 0.000 0.844 287 S HN 0.649 nan 8.310 nan 0.000 0.512 288 W N 1.642 122.954 121.300 0.019 0.000 5.721 288 W HA -0.182 4.473 4.660 -0.007 0.000 0.406 288 W C -0.237 176.255 176.519 -0.044 0.000 1.576 288 W CA 0.282 57.650 57.345 0.037 0.000 0.977 288 W CB -2.783 26.751 29.460 0.125 0.000 2.771 288 W HN 0.950 nan 8.180 nan 0.000 1.435 289 D N -0.782 119.580 120.400 -0.064 0.000 2.723 289 D HA -0.215 4.421 4.640 -0.007 0.000 0.236 289 D C 0.169 176.276 176.300 -0.322 0.000 1.138 289 D CA 1.390 55.236 54.000 -0.256 0.000 0.676 289 D CB -1.147 39.513 40.800 -0.233 0.000 1.069 289 D HN 0.330 nan 8.370 nan 0.000 0.430 290 N N 0.771 119.251 118.700 -0.367 0.000 2.462 290 N HA 0.199 4.935 4.740 -0.007 0.000 0.242 290 N C -1.417 173.873 175.510 -0.365 0.000 1.010 290 N CA -0.031 52.894 53.050 -0.208 0.000 0.939 290 N CB 0.260 38.730 38.487 -0.028 0.000 1.127 290 N HN 0.040 nan 8.380 nan 0.000 0.509 291 Y N 1.958 122.275 120.300 0.029 0.000 2.350 291 Y HA 0.434 4.979 4.550 -0.008 0.000 0.338 291 Y C 0.520 176.420 175.900 -0.001 0.000 0.961 291 Y CA -0.884 57.230 58.100 0.024 0.000 1.100 291 Y CB 1.533 40.008 38.460 0.026 0.000 1.179 291 Y HN 0.352 nan 8.280 nan 0.000 0.454 292 R N 1.965 122.572 120.500 0.179 0.000 2.686 292 R HA 0.839 5.174 4.340 -0.007 0.000 0.283 292 R C -1.368 175.018 176.300 0.144 0.000 0.978 292 R CA -0.550 55.617 56.100 0.111 0.000 0.897 292 R CB 1.621 31.965 30.300 0.073 0.000 1.192 292 R HN 0.773 nan 8.270 nan 0.000 0.457 293 S N 1.677 117.463 115.700 0.144 0.000 2.595 293 S HA 0.580 5.046 4.470 -0.007 0.000 0.281 293 S C -1.124 173.549 174.600 0.122 0.000 1.117 293 S CA -0.846 57.442 58.200 0.148 0.000 0.873 293 S CB 2.191 65.494 63.200 0.171 0.000 1.108 293 S HN 0.743 nan 8.310 nan 0.000 0.477 294 E N 0.359 120.622 120.200 0.104 0.000 2.388 294 E HA 0.470 4.815 4.350 -0.007 0.000 0.289 294 E C -2.428 174.191 176.600 0.032 0.000 0.944 294 E CA -0.667 55.777 56.400 0.073 0.000 0.792 294 E CB 1.666 31.419 29.700 0.089 0.000 1.239 294 E HN 0.579 nan 8.360 nan 0.000 0.412 295 L N 3.663 124.879 121.223 -0.011 0.000 2.365 295 L HA 0.651 4.986 4.340 -0.007 0.000 0.273 295 L C -1.652 175.135 176.870 -0.138 0.000 1.000 295 L CA -0.256 54.543 54.840 -0.069 0.000 0.819 295 L CB 1.803 43.861 42.059 -0.003 0.000 1.284 295 L HN 0.552 nan 8.230 nan 0.000 0.418 296 D N 3.532 123.761 120.400 -0.285 0.000 2.763 296 D HA 0.554 5.190 4.640 -0.007 0.000 0.235 296 D C -1.899 174.261 176.300 -0.234 0.000 1.334 296 D CA -0.054 53.758 54.000 -0.313 0.000 0.950 296 D CB 1.824 42.282 40.800 -0.571 0.000 1.433 296 D HN 0.267 nan 8.370 nan 0.000 0.580 297 V N 1.957 121.785 119.914 -0.144 0.000 2.686 297 V HA 0.763 4.879 4.120 -0.007 0.000 0.306 297 V C -0.318 175.673 176.094 -0.173 0.000 1.065 297 V CA -0.731 61.481 62.300 -0.147 0.000 0.894 297 V CB 1.781 33.554 31.823 -0.082 0.000 1.004 297 V HN 0.538 nan 8.190 nan 0.000 0.424 298 S N 1.728 117.272 115.700 -0.261 0.000 2.541 298 S HA 0.974 5.440 4.470 -0.007 0.000 0.271 298 S C -0.285 174.195 174.600 -0.201 0.000 1.133 298 S CA 0.349 58.427 58.200 -0.202 0.000 0.876 298 S CB 1.921 65.021 63.200 -0.167 0.000 1.105 298 S HN 1.838 nan 8.310 nan 0.000 0.470 299 G N 2.891 111.619 108.800 -0.121 0.000 2.337 299 G HA2 0.327 4.282 3.960 -0.007 0.000 0.298 299 G HA3 0.327 4.282 3.960 -0.007 0.000 0.298 299 G C -3.589 171.254 174.900 -0.094 0.000 1.335 299 G CA -0.694 44.367 45.100 -0.066 0.000 0.875 299 G HN 0.540 nan 8.290 nan 0.000 0.579 300 P HA 0.372 nan 4.420 nan 0.000 0.271 300 P C 0.227 177.480 177.300 -0.078 0.000 1.218 300 P CA -0.149 62.881 63.100 -0.117 0.000 0.780 300 P CB 1.629 33.277 31.700 -0.085 0.000 0.901 301 L N 0.721 121.879 121.223 -0.108 0.000 2.817 301 L HA 0.166 4.502 4.340 -0.007 0.000 0.248 301 L C 1.007 177.833 176.870 -0.074 0.000 1.133 301 L CA 0.468 55.252 54.840 -0.094 0.000 0.935 301 L CB 0.376 42.354 42.059 -0.134 0.000 1.266 301 L HN 0.487 nan 8.230 nan 0.000 0.535 302 T N -4.784 109.728 114.554 -0.069 0.000 2.906 302 T HA 0.230 4.575 4.350 -0.007 0.000 0.295 302 T C 0.839 175.519 174.700 -0.033 0.000 1.061 302 T CA -0.639 61.435 62.100 -0.043 0.000 1.000 302 T CB 1.719 70.568 68.868 -0.031 0.000 1.103 302 T HN 0.244 nan 8.240 nan 0.000 0.486 303 E N 1.567 121.753 120.200 -0.022 0.000 2.187 303 E HA -0.236 4.109 4.350 -0.007 0.000 0.199 303 E C 1.788 178.383 176.600 -0.008 0.000 1.004 303 E CA 1.847 58.238 56.400 -0.015 0.000 0.813 303 E CB -0.532 29.162 29.700 -0.011 0.000 0.736 303 E HN 0.678 nan 8.360 nan 0.000 0.468 304 S N -0.133 115.564 115.700 -0.005 0.000 2.348 304 S HA 0.185 4.651 4.470 -0.007 0.000 0.219 304 S C 1.843 176.447 174.600 0.006 0.000 1.033 304 S CA 0.409 58.612 58.200 0.005 0.000 0.974 304 S CB 0.054 63.261 63.200 0.012 0.000 0.868 304 S HN 0.606 nan 8.310 nan 0.000 0.459 305 G N 2.147 110.939 108.800 -0.013 0.000 2.183 305 G HA2 -0.199 3.757 3.960 -0.007 0.000 0.168 305 G HA3 -0.199 3.757 3.960 -0.007 0.000 0.168 305 G C 0.521 175.391 174.900 -0.050 0.000 1.008 305 G CA 0.173 45.255 45.100 -0.030 0.000 0.677 305 G HN 0.533 nan 8.290 nan 0.000 0.498 306 N N 0.202 118.886 118.700 -0.027 0.000 2.424 306 N HA 0.176 4.912 4.740 -0.007 0.000 0.178 306 N C 0.840 176.321 175.510 -0.048 0.000 1.060 306 N CA 0.909 53.956 53.050 -0.005 0.000 0.901 306 N CB 0.528 39.036 38.487 0.035 0.000 0.979 306 N HN 1.225 nan 8.380 nan 0.000 0.451 307 V N -1.086 118.759 119.914 -0.115 0.000 2.680 307 V HA 0.706 4.822 4.120 -0.007 0.000 0.309 307 V C -1.067 174.856 176.094 -0.285 0.000 1.052 307 V CA -0.953 61.188 62.300 -0.264 0.000 0.908 307 V CB 2.188 33.803 31.823 -0.347 0.000 1.001 307 V HN 0.113 nan 8.190 nan 0.000 0.431 308 R N 2.790 123.074 120.500 -0.359 0.000 2.643 308 R HA 0.759 5.095 4.340 -0.007 0.000 0.269 308 R C -0.596 175.530 176.300 -0.290 0.000 1.037 308 R CA -0.154 55.764 56.100 -0.302 0.000 0.894 308 R CB 2.483 32.581 30.300 -0.338 0.000 1.238 308 R HN 1.197 nan 8.270 nan 0.000 0.459 309 G N 1.247 109.913 108.800 -0.223 0.000 2.690 309 G HA2 0.624 4.580 3.960 -0.007 0.000 0.293 309 G HA3 0.624 4.580 3.960 -0.007 0.000 0.293 309 G C -1.800 172.996 174.900 -0.174 0.000 1.399 309 G CA -0.588 44.388 45.100 -0.207 0.000 0.890 309 G HN 0.446 nan 8.290 nan 0.000 0.485 310 R N -0.121 120.260 120.500 -0.199 0.000 2.621 310 R HA 0.725 5.061 4.340 -0.007 0.000 0.284 310 R C -1.022 175.129 176.300 -0.249 0.000 0.998 310 R CA -0.484 55.503 56.100 -0.189 0.000 0.895 310 R CB 1.986 32.201 30.300 -0.141 0.000 1.195 310 R HN 0.954 nan 8.270 nan 0.000 0.450 311 A N 3.125 125.843 122.820 -0.169 0.000 2.393 311 A HA 0.696 5.011 4.320 -0.007 0.000 0.306 311 A C -1.410 176.143 177.584 -0.052 0.000 1.050 311 A CA -0.632 51.323 52.037 -0.137 0.000 0.724 311 A CB 1.930 20.876 19.000 -0.090 0.000 1.248 311 A HN 0.674 nan 8.150 nan 0.000 0.424 312 V N 0.217 120.150 119.914 0.031 0.000 2.888 312 V HA 0.952 5.068 4.120 -0.007 0.000 0.309 312 V C -0.630 175.527 176.094 0.105 0.000 1.114 312 V CA 0.086 62.430 62.300 0.073 0.000 0.940 312 V CB 1.586 33.471 31.823 0.104 0.000 1.021 312 V HN 2.201 nan 8.190 nan 0.000 0.426 313 A N 4.354 127.203 122.820 0.047 0.000 2.422 313 A HA 1.064 5.380 4.320 -0.007 0.000 0.302 313 A C -0.330 177.232 177.584 -0.037 0.000 1.041 313 A CA -0.139 51.886 52.037 -0.020 0.000 0.708 313 A CB 1.742 20.774 19.000 0.053 0.000 1.257 313 A HN 2.511 nan 8.150 nan 0.000 0.414 314 A N 1.084 123.854 122.820 -0.084 0.000 2.486 314 A HA 0.790 5.106 4.320 -0.007 0.000 0.300 314 A C -1.710 175.902 177.584 0.046 0.000 1.048 314 A CA -0.430 51.609 52.037 0.004 0.000 0.696 314 A CB 1.296 20.302 19.000 0.010 0.000 1.278 314 A HN 1.794 nan 8.150 nan 0.000 0.405 315 Y N 0.786 121.065 120.300 -0.035 0.000 2.441 315 Y HA 0.629 5.173 4.550 -0.010 0.000 0.334 315 Y C -0.785 175.142 175.900 0.044 0.000 1.061 315 Y CA -0.366 57.727 58.100 -0.012 0.000 1.032 315 Y CB 1.980 40.435 38.460 -0.008 0.000 1.266 315 Y HN 0.837 nan 8.280 nan 0.000 0.441 316 Q N 4.502 124.011 119.800 -0.485 0.000 2.305 316 Q HA 0.428 4.764 4.340 -0.007 0.000 0.271 316 Q C -2.311 173.394 176.000 -0.491 0.000 1.046 316 Q CA -0.722 54.875 55.803 -0.343 0.000 0.798 316 Q CB 1.774 30.445 28.738 -0.110 0.000 1.286 316 Q HN 0.673 nan 8.270 nan 0.000 0.435 317 D N 3.086 123.306 120.400 -0.299 0.000 2.549 317 D HA 0.352 4.988 4.640 -0.007 0.000 0.251 317 D C -1.726 174.619 176.300 0.074 0.000 1.153 317 D CA -0.422 53.500 54.000 -0.131 0.000 0.861 317 D CB 0.897 41.663 40.800 -0.056 0.000 1.207 317 D HN 0.553 nan 8.370 nan 0.000 0.543 318 K N 2.082 122.543 120.400 0.100 0.000 2.422 318 K HA 0.512 4.827 4.320 -0.007 0.000 0.251 318 K C -0.293 176.478 176.600 0.285 0.000 0.933 318 K CA -0.752 55.637 56.287 0.169 0.000 0.798 318 K CB 2.124 34.714 32.500 0.150 0.000 1.238 318 K HN 0.316 nan 8.250 nan 0.000 0.428 319 H N 0.283 119.429 119.070 0.128 0.000 2.991 319 H HA 0.466 5.019 4.556 -0.006 0.000 0.182 319 H C -0.324 175.110 175.328 0.177 0.000 1.518 319 H CA -0.812 55.307 56.048 0.117 0.000 1.630 319 H CB 1.293 31.133 29.762 0.131 0.000 1.397 319 H HN 0.628 nan 8.280 nan 0.000 0.860 320 S N -1.013 114.846 115.700 0.265 0.000 2.622 320 S HA 0.008 4.474 4.470 -0.007 0.000 0.275 320 S C 0.090 174.268 174.600 -0.702 0.000 1.112 320 S CA -0.490 57.639 58.200 -0.117 0.000 0.837 320 S CB 0.012 63.134 63.200 -0.130 0.000 1.082 320 S HN 0.548 nan 8.310 nan 0.000 0.456 321 F N 2.052 121.017 119.950 -1.642 0.000 2.216 321 F HA 0.345 4.869 4.527 -0.005 0.000 0.300 321 F C 0.963 176.392 175.800 -0.618 0.000 1.085 321 F CA 0.447 57.523 58.000 -1.540 0.000 1.326 321 F CB -0.391 37.717 39.000 -1.488 0.000 1.027 321 F HN 0.414 nan 8.300 nan 0.000 0.497 322 M N 2.098 120.895 119.600 -1.338 0.000 2.239 322 M HA 0.010 4.486 4.480 -0.007 0.000 0.348 322 M C -0.126 175.890 176.300 -0.473 0.000 1.239 322 M CA 0.074 54.843 55.300 -0.886 0.000 1.114 322 M CB 0.216 32.242 32.600 -0.957 0.000 1.641 322 M HN 0.101 nan 8.290 nan 0.000 0.453 323 D N 2.646 122.836 120.400 -0.351 0.000 2.423 323 D HA -0.078 4.558 4.640 -0.007 0.000 0.238 323 D C 0.653 176.666 176.300 -0.478 0.000 1.142 323 D CA 0.730 54.577 54.000 -0.255 0.000 0.884 323 D CB 0.469 41.200 40.800 -0.114 0.000 1.199 323 D HN 0.765 nan 8.370 nan 0.000 0.438 324 H N 1.426 120.399 119.070 -0.163 0.000 2.529 324 H HA -0.309 4.242 4.556 -0.008 0.000 0.319 324 H C -1.432 173.830 175.328 -0.111 0.000 1.072 324 H CA 0.588 56.531 56.048 -0.175 0.000 1.126 324 H CB -2.637 26.990 29.762 -0.225 0.000 1.474 324 H HN 0.432 nan 8.280 nan 0.000 0.406 325 Y N 1.466 121.539 120.300 -0.378 0.000 2.328 325 Y HA 0.458 5.005 4.550 -0.006 0.000 0.336 325 Y C -0.146 175.619 175.900 -0.224 0.000 0.960 325 Y CA -0.568 57.360 58.100 -0.286 0.000 1.134 325 Y CB 1.300 39.570 38.460 -0.316 0.000 1.166 325 Y HN 0.546 nan 8.280 nan 0.000 0.464 326 E N 4.832 124.625 120.200 -0.679 0.000 2.359 326 E HA 0.691 5.037 4.350 -0.007 0.000 0.266 326 E C -1.526 174.690 176.600 -0.640 0.000 0.920 326 E CA -1.505 54.586 56.400 -0.514 0.000 0.788 326 E CB 2.558 32.025 29.700 -0.388 0.000 1.279 326 E HN 0.594 nan 8.360 nan 0.000 0.438 327 R N 1.080 121.397 120.500 -0.305 0.000 2.585 327 R HA 0.256 4.592 4.340 -0.007 0.000 0.288 327 R C -1.476 174.785 176.300 -0.066 0.000 1.194 327 R CA -0.604 55.375 56.100 -0.201 0.000 1.006 327 R CB 1.139 31.351 30.300 -0.148 0.000 1.229 327 R HN 0.555 nan 8.270 nan 0.000 0.412 328 K N 2.647 123.027 120.400 -0.034 0.000 2.201 328 K HA 0.273 4.588 4.320 -0.007 0.000 0.278 328 K C -0.381 176.209 176.600 -0.016 0.000 1.027 328 K CA -0.590 55.672 56.287 -0.042 0.000 0.909 328 K CB 1.923 34.470 32.500 0.077 0.000 1.062 328 K HN 0.602 nan 8.250 nan 0.000 0.465 329 T N -0.803 113.703 114.554 -0.081 0.000 2.841 329 T HA 0.422 4.767 4.350 -0.007 0.000 0.283 329 T C -0.538 174.203 174.700 0.067 0.000 1.000 329 T CA -0.636 61.468 62.100 0.007 0.000 0.977 329 T CB 1.371 70.240 68.868 0.001 0.000 0.979 329 T HN 0.321 nan 8.240 nan 0.000 0.446 330 S N 1.903 117.691 115.700 0.146 0.000 2.500 330 S HA 0.766 5.232 4.470 -0.007 0.000 0.301 330 S C -0.737 173.893 174.600 0.049 0.000 1.092 330 S CA -0.704 57.586 58.200 0.151 0.000 1.030 330 S CB 1.458 64.817 63.200 0.265 0.000 1.031 330 S HN 1.214 nan 8.310 nan 0.000 0.483 331 V N 3.318 123.141 119.914 -0.152 0.000 2.760 331 V HA 0.799 4.915 4.120 -0.007 0.000 0.309 331 V C -2.348 173.552 176.094 -0.324 0.000 1.077 331 V CA -0.518 61.732 62.300 -0.083 0.000 0.910 331 V CB 1.440 33.264 31.823 0.003 0.000 1.008 331 V HN 0.852 nan 8.190 nan 0.000 0.424 332 Y N 5.065 125.516 120.300 0.252 0.000 2.512 332 Y HA 0.850 5.395 4.550 -0.009 0.000 0.348 332 Y C -0.859 175.198 175.900 0.262 0.000 0.990 332 Y CA -0.783 57.427 58.100 0.183 0.000 1.033 332 Y CB 2.271 40.784 38.460 0.088 0.000 1.259 332 Y HN 0.863 nan 8.280 nan 0.000 0.461 333 Y N 0.306 120.724 120.300 0.197 0.000 2.521 333 Y HA 0.752 5.297 4.550 -0.008 0.000 0.332 333 Y C -1.073 174.871 175.900 0.073 0.000 1.121 333 Y CA -1.439 56.731 58.100 0.118 0.000 1.037 333 Y CB 2.157 40.649 38.460 0.053 0.000 1.330 333 Y HN 0.741 nan 8.280 nan 0.000 0.452 334 G N 4.889 113.426 108.800 -0.439 0.000 2.746 334 G HA2 0.621 4.576 3.960 -0.007 0.000 0.297 334 G HA3 0.621 4.576 3.960 -0.007 0.000 0.297 334 G C -2.424 172.161 174.900 -0.526 0.000 1.426 334 G CA -0.720 44.092 45.100 -0.481 0.000 0.989 334 G HN 0.887 nan 8.290 nan 0.000 0.520 335 I N 1.206 121.504 120.570 -0.453 0.000 2.680 335 I HA 0.569 4.735 4.170 -0.007 0.000 0.291 335 I C -1.611 174.379 176.117 -0.211 0.000 1.244 335 I CA -1.049 60.085 61.300 -0.276 0.000 1.042 335 I CB 1.806 39.706 38.000 -0.168 0.000 1.277 335 I HN 0.393 nan 8.210 nan 0.000 0.423 336 L N 6.728 127.847 121.223 -0.172 0.000 2.346 336 L HA 0.568 4.904 4.340 -0.007 0.000 0.276 336 L C -0.569 176.165 176.870 -0.227 0.000 1.006 336 L CA -0.554 54.114 54.840 -0.286 0.000 0.817 336 L CB 1.890 43.710 42.059 -0.400 0.000 1.272 336 L HN 0.523 nan 8.230 nan 0.000 0.421 337 E N 2.515 122.537 120.200 -0.297 0.000 2.151 337 E HA 0.499 4.844 4.350 -0.007 0.000 0.275 337 E C -1.572 174.880 176.600 -0.246 0.000 0.936 337 E CA -0.544 55.774 56.400 -0.136 0.000 0.777 337 E CB 1.608 31.267 29.700 -0.069 0.000 1.108 337 E HN 0.228 nan 8.360 nan 0.000 0.401 338 F N 1.637 121.583 119.950 -0.006 0.000 2.467 338 F HA 0.250 4.772 4.527 -0.008 0.000 0.336 338 F C 0.149 175.956 175.800 0.011 0.000 1.123 338 F CA -1.189 56.807 58.000 -0.006 0.000 0.964 338 F CB 1.145 40.140 39.000 -0.008 0.000 1.136 338 F HN 0.216 nan 8.300 nan 0.000 0.447 339 D N 4.933 125.433 120.400 0.166 0.000 2.435 339 D HA 0.185 4.821 4.640 -0.007 0.000 0.230 339 D C 1.527 177.895 176.300 0.113 0.000 1.215 339 D CA 0.219 54.291 54.000 0.120 0.000 0.947 339 D CB 0.807 41.661 40.800 0.089 0.000 1.048 339 D HN 0.539 nan 8.370 nan 0.000 0.512 340 L N 2.005 123.290 121.223 0.104 0.000 2.051 340 L HA -0.265 4.070 4.340 -0.007 0.000 0.214 340 L C 0.897 177.801 176.870 0.057 0.000 1.076 340 L CA 1.412 56.292 54.840 0.067 0.000 0.758 340 L CB -0.487 41.602 42.059 0.050 0.000 0.890 340 L HN 0.415 nan 8.230 nan 0.000 0.433 341 N N -4.297 114.439 118.700 0.060 0.000 3.106 341 N HA 0.204 4.940 4.740 -0.007 0.000 0.253 341 N C -2.538 172.999 175.510 0.044 0.000 1.506 341 N CA -1.428 51.652 53.050 0.051 0.000 0.876 341 N CB 0.138 38.653 38.487 0.047 0.000 1.452 341 N HN -0.398 nan 8.380 nan 0.000 0.542 342 P HA -0.026 nan 4.420 nan 0.000 0.229 342 P C -0.754 176.550 177.300 0.006 0.000 1.150 342 P CA 1.467 64.586 63.100 0.031 0.000 0.765 342 P CB -0.253 31.467 31.700 0.033 0.000 0.783 343 D N -3.540 116.846 120.400 -0.024 0.000 2.636 343 D HA 0.098 4.733 4.640 -0.007 0.000 0.270 343 D C -0.574 175.632 176.300 -0.157 0.000 1.430 343 D CA -0.322 53.608 54.000 -0.117 0.000 0.796 343 D CB -0.252 40.429 40.800 -0.197 0.000 1.117 343 D HN -0.221 nan 8.370 nan 0.000 0.480 344 T N 0.878 115.430 114.554 -0.003 0.000 2.949 344 T HA 0.431 4.777 4.350 -0.007 0.000 0.300 344 T C -1.057 173.687 174.700 0.074 0.000 0.988 344 T CA -0.553 61.592 62.100 0.075 0.000 0.993 344 T CB 1.600 70.563 68.868 0.158 0.000 0.984 344 T HN 0.157 nan 8.240 nan 0.000 0.442 345 M N 4.288 123.936 119.600 0.080 0.000 2.393 345 M HA 0.703 5.179 4.480 -0.007 0.000 0.316 345 M C -1.923 174.450 176.300 0.121 0.000 1.087 345 M CA -1.225 54.138 55.300 0.105 0.000 0.937 345 M CB 1.725 34.386 32.600 0.102 0.000 1.668 345 M HN 0.554 nan 8.290 nan 0.000 0.438 346 L N 4.235 125.553 121.223 0.157 0.000 2.322 346 L HA 0.667 5.003 4.340 -0.007 0.000 0.281 346 L C -1.187 175.837 176.870 0.256 0.000 1.014 346 L CA 0.347 55.285 54.840 0.163 0.000 0.815 346 L CB 2.107 44.219 42.059 0.088 0.000 1.247 346 L HN 0.711 nan 8.230 nan 0.000 0.421 347 T N 4.988 119.674 114.554 0.220 0.000 2.792 347 T HA 0.645 4.991 4.350 -0.007 0.000 0.280 347 T C -0.746 174.062 174.700 0.179 0.000 0.990 347 T CA -0.406 61.833 62.100 0.231 0.000 0.960 347 T CB 1.449 70.469 68.868 0.255 0.000 0.939 347 T HN 0.625 nan 8.240 nan 0.000 0.439 348 V N 0.624 120.614 119.914 0.126 0.000 2.680 348 V HA 1.095 5.210 4.120 -0.007 0.000 0.309 348 V C -0.109 175.798 176.094 -0.313 0.000 1.052 348 V CA -0.487 61.767 62.300 -0.076 0.000 0.908 348 V CB 1.533 33.349 31.823 -0.011 0.000 1.001 348 V HN 1.072 nan 8.190 nan 0.000 0.431 349 G N 1.687 109.983 108.800 -0.840 0.000 2.660 349 G HA2 0.959 4.914 3.960 -0.007 0.000 0.290 349 G HA3 0.959 4.914 3.960 -0.007 0.000 0.290 349 G C -1.166 173.280 174.900 -0.756 0.000 1.432 349 G CA -0.326 44.286 45.100 -0.813 0.000 0.807 349 G HN 1.783 nan 8.290 nan 0.000 0.485 350 A N 0.215 122.924 122.820 -0.184 0.000 2.539 350 A HA 0.887 5.202 4.320 -0.007 0.000 0.296 350 A C -1.462 176.347 177.584 0.374 0.000 1.073 350 A CA -0.321 51.776 52.037 0.099 0.000 0.700 350 A CB 2.268 21.303 19.000 0.059 0.000 1.296 350 A HN 1.291 nan 8.150 nan 0.000 0.405 351 D N -1.027 119.606 120.400 0.389 0.000 2.570 351 D HA 0.640 5.275 4.640 -0.007 0.000 0.244 351 D C -1.257 175.253 176.300 0.350 0.000 1.178 351 D CA -0.451 53.783 54.000 0.390 0.000 0.881 351 D CB 1.228 42.173 40.800 0.243 0.000 1.453 351 D HN 0.684 nan 8.370 nan 0.000 0.447 352 Y N -0.255 120.160 120.300 0.192 0.000 2.436 352 Y HA 0.448 4.992 4.550 -0.010 0.000 0.327 352 Y C -1.959 174.042 175.900 0.168 0.000 1.138 352 Y CA -0.468 57.750 58.100 0.196 0.000 1.042 352 Y CB 1.958 40.571 38.460 0.256 0.000 1.302 352 Y HN 0.613 nan 8.280 nan 0.000 0.439 353 Q N 4.840 124.441 119.800 -0.331 0.000 2.263 353 Q HA 0.334 4.670 4.340 -0.007 0.000 0.266 353 Q C -2.257 173.570 176.000 -0.289 0.000 1.002 353 Q CA -0.745 54.952 55.803 -0.177 0.000 0.790 353 Q CB 1.577 30.279 28.738 -0.061 0.000 1.272 353 Q HN 0.703 nan 8.270 nan 0.000 0.435 354 D N 2.696 123.029 120.400 -0.111 0.000 2.308 354 D HA 0.327 4.962 4.640 -0.007 0.000 0.242 354 D C -1.188 175.150 176.300 0.063 0.000 1.059 354 D CA -0.241 53.764 54.000 0.008 0.000 0.830 354 D CB 1.016 41.899 40.800 0.139 0.000 1.161 354 D HN 0.538 nan 8.370 nan 0.000 0.494 355 N N 3.167 121.904 118.700 0.061 0.000 2.399 355 N HA 0.253 4.988 4.740 -0.007 0.000 0.280 355 N C -1.447 174.110 175.510 0.078 0.000 1.008 355 N CA -0.605 52.472 53.050 0.046 0.000 0.894 355 N CB 1.968 40.453 38.487 -0.004 0.000 1.273 355 N HN 0.344 nan 8.380 nan 0.000 0.486 356 D N 2.647 123.091 120.400 0.073 0.000 2.346 356 D HA 0.310 4.945 4.640 -0.007 0.000 0.255 356 D C -2.675 173.646 176.300 0.035 0.000 1.276 356 D CA -1.545 52.508 54.000 0.088 0.000 0.941 356 D CB 1.799 42.660 40.800 0.102 0.000 1.199 356 D HN 0.225 nan 8.370 nan 0.000 0.537 357 P HA 0.537 nan 4.420 nan 0.000 0.285 357 P C -0.875 176.388 177.300 -0.062 0.000 1.285 357 P CA -0.828 62.210 63.100 -0.104 0.000 0.854 357 P CB 1.912 33.598 31.700 -0.022 0.000 1.180 358 K N -0.957 119.324 120.400 -0.199 0.000 2.385 358 K HA 0.621 4.936 4.320 -0.007 0.000 0.248 358 K C 0.264 176.815 176.600 -0.081 0.000 0.955 358 K CA 0.061 56.307 56.287 -0.069 0.000 0.816 358 K CB 0.871 33.327 32.500 -0.072 0.000 1.250 358 K HN 0.728 nan 8.250 nan 0.000 0.434 359 G N 0.902 109.736 108.800 0.056 0.000 2.198 359 G HA2 -0.241 3.715 3.960 -0.007 0.000 0.257 359 G HA3 -0.241 3.715 3.960 -0.007 0.000 0.257 359 G C -0.267 174.793 174.900 0.268 0.000 1.042 359 G CA 0.365 45.548 45.100 0.139 0.000 0.791 359 G HN 0.418 nan 8.290 nan 0.000 0.502 360 S N -0.266 115.595 115.700 0.269 0.000 2.576 360 S HA 0.578 5.044 4.470 -0.007 0.000 0.276 360 S C 1.057 175.810 174.600 0.255 0.000 1.339 360 S CA 0.298 58.696 58.200 0.330 0.000 1.039 360 S CB 1.426 64.845 63.200 0.365 0.000 0.902 360 S HN 1.236 nan 8.310 nan 0.000 0.516 361 G N 0.169 109.120 108.800 0.252 0.000 2.491 361 G HA2 0.432 4.387 3.960 -0.007 0.000 0.327 361 G HA3 0.432 4.387 3.960 -0.007 0.000 0.327 361 G C -0.107 175.010 174.900 0.362 0.000 1.189 361 G CA -0.783 44.484 45.100 0.278 0.000 0.956 361 G HN 0.897 nan 8.290 nan 0.000 0.491 362 W N 0.473 121.854 121.300 0.134 0.000 2.601 362 W HA 0.246 4.899 4.660 -0.012 0.000 0.292 362 W C 1.155 177.749 176.519 0.124 0.000 1.153 362 W CA 0.974 58.369 57.345 0.083 0.000 1.448 362 W CB 0.514 29.983 29.460 0.014 0.000 1.113 362 W HN 0.622 nan 8.180 nan 0.000 0.548 363 S N 0.722 116.777 115.700 0.591 0.000 2.775 363 S HA 0.603 5.069 4.470 -0.007 0.000 0.277 363 S C -0.300 174.505 174.600 0.342 0.000 1.156 363 S CA -0.165 58.347 58.200 0.521 0.000 1.081 363 S CB 0.732 64.115 63.200 0.306 0.000 1.054 363 S HN 0.955 nan 8.310 nan 0.000 0.482 364 G N 2.819 111.831 108.800 0.353 0.000 2.880 364 G HA2 -0.165 3.791 3.960 -0.007 0.000 0.617 364 G HA3 -0.165 3.791 3.960 -0.007 0.000 0.617 364 G C 0.510 175.511 174.900 0.168 0.000 1.493 364 G CA -0.249 44.960 45.100 0.183 0.000 0.916 364 G HN 1.275 nan 8.290 nan 0.000 0.553 365 S N -0.423 115.378 115.700 0.168 0.000 2.458 365 S HA 0.424 4.889 4.470 -0.007 0.000 0.223 365 S C 0.406 175.365 174.600 0.598 0.000 1.019 365 S CA 1.801 60.223 58.200 0.369 0.000 0.937 365 S CB -0.180 63.302 63.200 0.470 0.000 0.788 365 S HN 1.493 nan 8.310 nan 0.000 0.511 366 F N -0.660 119.403 119.950 0.189 0.000 2.678 366 F HA 0.632 5.154 4.527 -0.009 0.000 0.308 366 F C -3.502 172.308 175.800 0.017 0.000 1.118 366 F CA -2.819 55.256 58.000 0.125 0.000 0.959 366 F CB 0.577 39.527 39.000 -0.082 0.000 1.305 366 F HN -0.312 nan 8.300 nan 0.000 0.443 367 P HA 0.244 nan 4.420 nan 0.000 0.275 367 P C 0.590 177.789 177.300 -0.168 0.000 1.227 367 P CA -0.275 62.780 63.100 -0.074 0.000 0.781 367 P CB 1.790 33.511 31.700 0.036 0.000 0.906 368 L N 1.678 122.643 121.223 -0.430 0.000 2.017 368 L HA -0.097 4.239 4.340 -0.007 0.000 0.208 368 L C 0.838 177.427 176.870 -0.469 0.000 1.073 368 L CA 1.712 56.178 54.840 -0.623 0.000 0.745 368 L CB -0.458 40.909 42.059 -1.154 0.000 0.894 368 L HN 0.289 nan 8.230 nan 0.000 0.432 369 F N -0.355 119.544 119.950 -0.085 0.000 2.492 369 F HA 0.257 4.780 4.527 -0.008 0.000 0.327 369 F C 0.392 176.103 175.800 -0.148 0.000 1.079 369 F CA -1.974 55.976 58.000 -0.083 0.000 0.967 369 F CB 0.752 39.682 39.000 -0.116 0.000 1.169 369 F HN -0.028 nan 8.300 nan 0.000 0.472 370 D N -0.450 119.984 120.400 0.057 0.000 2.414 370 D HA 0.097 4.732 4.640 -0.007 0.000 0.259 370 D C 1.289 177.497 176.300 -0.153 0.000 1.269 370 D CA -0.005 53.937 54.000 -0.097 0.000 1.028 370 D CB 0.077 40.816 40.800 -0.100 0.000 1.093 370 D HN 0.437 nan 8.370 nan 0.000 0.545 371 S N -0.910 114.671 115.700 -0.199 0.000 2.400 371 S HA -0.273 4.193 4.470 -0.007 0.000 0.232 371 S C 1.415 175.891 174.600 -0.208 0.000 1.025 371 S CA 1.491 59.523 58.200 -0.280 0.000 0.993 371 S CB -0.825 62.242 63.200 -0.222 0.000 0.808 371 S HN 0.712 nan 8.310 nan 0.000 0.478 372 Q N -0.038 119.680 119.800 -0.138 0.000 2.282 372 Q HA 0.545 4.881 4.340 -0.007 0.000 0.206 372 Q C 1.217 177.138 176.000 -0.133 0.000 0.878 372 Q CA 0.236 55.964 55.803 -0.124 0.000 0.944 372 Q CB 0.294 28.981 28.738 -0.085 0.000 1.100 372 Q HN 0.643 nan 8.270 nan 0.000 0.509 373 G N 0.950 109.673 108.800 -0.128 0.000 2.184 373 G HA2 -0.183 3.773 3.960 -0.007 0.000 0.206 373 G HA3 -0.183 3.773 3.960 -0.007 0.000 0.206 373 G C -0.401 174.486 174.900 -0.022 0.000 0.995 373 G CA -0.367 44.623 45.100 -0.183 0.000 0.651 373 G HN 0.280 nan 8.290 nan 0.000 0.511 374 N N 0.636 119.372 118.700 0.059 0.000 2.530 374 N HA 0.485 5.220 4.740 -0.007 0.000 0.277 374 N C 0.514 176.162 175.510 0.230 0.000 1.168 374 N CA -0.286 52.835 53.050 0.118 0.000 0.979 374 N CB 0.685 39.204 38.487 0.054 0.000 1.141 374 N HN 0.270 nan 8.380 nan 0.000 0.459 375 R N 1.058 121.692 120.500 0.223 0.000 2.570 375 R HA 0.089 4.424 4.340 -0.007 0.000 0.277 375 R C 0.048 176.418 176.300 0.116 0.000 1.039 375 R CA -0.004 56.199 56.100 0.172 0.000 1.065 375 R CB 0.102 30.479 30.300 0.129 0.000 0.964 375 R HN 0.419 nan 8.270 nan 0.000 0.428 376 N N 1.734 120.497 118.700 0.106 0.000 2.497 376 N HA -0.005 4.731 4.740 -0.007 0.000 0.271 376 N C -0.952 174.630 175.510 0.120 0.000 1.142 376 N CA 0.096 53.207 53.050 0.102 0.000 0.965 376 N CB 0.988 39.554 38.487 0.132 0.000 1.077 376 N HN 0.427 nan 8.380 nan 0.000 0.462 377 D N 1.854 122.301 120.400 0.078 0.000 2.373 377 D HA 0.352 4.988 4.640 -0.007 0.000 0.227 377 D C -0.803 175.490 176.300 -0.012 0.000 1.091 377 D CA -0.485 53.555 54.000 0.067 0.000 0.840 377 D CB 0.680 41.533 40.800 0.089 0.000 1.060 377 D HN 0.231 nan 8.370 nan 0.000 0.502 378 V N 0.730 120.564 119.914 -0.134 0.000 3.007 378 V HA 0.663 4.779 4.120 -0.007 0.000 0.311 378 V C 0.239 176.294 176.094 -0.064 0.000 1.120 378 V CA -0.944 61.244 62.300 -0.185 0.000 0.980 378 V CB 1.603 33.064 31.823 -0.602 0.000 1.033 378 V HN 0.406 nan 8.190 nan 0.000 0.429 379 S N 1.834 117.544 115.700 0.017 0.000 2.566 379 S HA 0.202 4.667 4.470 -0.007 0.000 0.280 379 S C 1.254 175.825 174.600 -0.047 0.000 1.343 379 S CA -0.160 58.035 58.200 -0.007 0.000 1.036 379 S CB 0.355 63.578 63.200 0.037 0.000 0.866 379 S HN 0.833 nan 8.310 nan 0.000 0.526 380 R N 1.095 121.413 120.500 -0.304 0.000 2.249 380 R HA -0.109 4.226 4.340 -0.007 0.000 0.230 380 R C 2.091 178.464 176.300 0.123 0.000 1.121 380 R CA 1.391 57.247 56.100 -0.408 0.000 0.997 380 R CB -0.386 29.553 30.300 -0.603 0.000 0.867 380 R HN 0.748 nan 8.270 nan 0.000 0.465 381 S N -0.461 115.293 115.700 0.089 0.000 2.558 381 S HA -0.013 4.452 4.470 -0.007 0.000 0.217 381 S C 0.481 175.096 174.600 0.024 0.000 0.975 381 S CA -0.419 57.804 58.200 0.039 0.000 0.912 381 S CB -0.159 63.049 63.200 0.013 0.000 0.776 381 S HN 0.161 nan 8.310 nan 0.000 0.526 382 F N 3.861 123.810 119.950 -0.000 0.000 2.578 382 F HA 0.406 4.930 4.527 -0.006 0.000 0.376 382 F C 0.250 176.097 175.800 0.077 0.000 1.085 382 F CA -0.117 57.900 58.000 0.028 0.000 1.260 382 F CB 0.303 39.285 39.000 -0.029 0.000 1.095 382 F HN 0.149 nan 8.300 nan 0.000 0.573 383 N N 4.472 122.985 118.700 -0.311 0.000 2.549 383 N HA 0.137 4.873 4.740 -0.007 0.000 0.281 383 N C -0.224 175.368 175.510 0.137 0.000 1.084 383 N CA -0.725 52.289 53.050 -0.061 0.000 0.862 383 N CB 0.475 38.720 38.487 -0.402 0.000 1.333 383 N HN 0.565 nan 8.380 nan 0.000 0.523 384 N N 1.487 120.404 118.700 0.362 0.000 2.521 384 N HA 0.066 4.801 4.740 -0.007 0.000 0.188 384 N C 0.714 176.484 175.510 0.433 0.000 1.146 384 N CA -0.129 53.150 53.050 0.381 0.000 0.893 384 N CB -0.236 38.463 38.487 0.354 0.000 0.975 384 N HN 0.465 nan 8.380 nan 0.000 0.451 385 G N -0.347 108.685 108.800 0.387 0.000 2.491 385 G HA2 0.431 4.387 3.960 -0.007 0.000 0.238 385 G HA3 0.431 4.387 3.960 -0.007 0.000 0.238 385 G C 0.002 175.129 174.900 0.379 0.000 1.277 385 G CA 0.031 45.316 45.100 0.308 0.000 0.851 385 G HN 0.509 nan 8.290 nan 0.000 0.573 386 A N 1.899 124.736 122.820 0.028 0.000 2.332 386 A HA 0.406 4.722 4.320 -0.007 0.000 0.258 386 A C 1.542 178.885 177.584 -0.402 0.000 1.087 386 A CA -0.168 51.678 52.037 -0.318 0.000 0.802 386 A CB 0.563 18.999 19.000 -0.941 0.000 1.042 386 A HN 0.772 nan 8.150 nan 0.000 0.489 387 K N 0.519 120.651 120.400 -0.447 0.000 2.032 387 K HA -0.151 4.165 4.320 -0.007 0.000 0.209 387 K C 1.652 178.215 176.600 -0.063 0.000 1.048 387 K CA 2.271 58.437 56.287 -0.202 0.000 0.927 387 K CB -0.207 32.185 32.500 -0.180 0.000 0.712 387 K HN 0.968 nan 8.250 nan 0.000 0.441 388 W N 0.672 122.016 121.300 0.074 0.000 2.699 388 W HA 0.138 4.813 4.660 0.026 0.000 0.249 388 W C 0.414 177.030 176.519 0.162 0.000 1.280 388 W CA -0.277 57.131 57.345 0.105 0.000 1.345 388 W CB -0.760 28.758 29.460 0.096 0.000 1.128 388 W HN -0.127 nan 8.180 nan 0.000 0.642 389 S N 1.987 117.603 115.700 -0.141 0.000 2.525 389 S HA 0.198 4.664 4.470 -0.007 0.000 0.285 389 S C -0.174 174.556 174.600 0.217 0.000 1.283 389 S CA 0.231 58.442 58.200 0.019 0.000 1.072 389 S CB 0.573 63.640 63.200 -0.222 0.000 0.867 389 S HN 0.211 nan 8.310 nan 0.000 0.492 390 S N 5.156 121.045 115.700 0.315 0.000 2.614 390 S HA 0.454 4.920 4.470 -0.007 0.000 0.275 390 S C -1.576 173.254 174.600 0.384 0.000 1.161 390 S CA -0.622 57.765 58.200 0.312 0.000 0.969 390 S CB 0.734 64.113 63.200 0.298 0.000 1.059 390 S HN 0.832 nan 8.310 nan 0.000 0.482 391 W N 6.599 127.997 121.300 0.164 0.000 2.024 391 W HA 0.383 5.037 4.660 -0.010 0.000 0.318 391 W C -0.003 176.608 176.519 0.154 0.000 0.817 391 W CA -1.458 55.973 57.345 0.143 0.000 1.745 391 W CB -0.305 29.211 29.460 0.093 0.000 1.940 391 W HN 0.823 nan 8.180 nan 0.000 0.346 392 E N 1.819 122.290 120.200 0.452 0.000 2.392 392 E HA 0.195 4.541 4.350 -0.007 0.000 0.264 392 E C -0.840 175.969 176.600 0.349 0.000 1.024 392 E CA 0.398 56.991 56.400 0.321 0.000 0.903 392 E CB 0.998 30.870 29.700 0.287 0.000 0.963 392 E HN 0.417 nan 8.360 nan 0.000 0.432 393 Q N 2.334 122.245 119.800 0.185 0.000 2.305 393 Q HA 0.360 4.696 4.340 -0.007 0.000 0.271 393 Q C -1.573 174.490 176.000 0.105 0.000 1.046 393 Q CA -1.001 54.861 55.803 0.098 0.000 0.798 393 Q CB 1.744 30.402 28.738 -0.133 0.000 1.286 393 Q HN 0.756 nan 8.270 nan 0.000 0.435 394 Y N -1.300 118.994 120.300 -0.010 0.000 2.605 394 Y HA 0.898 5.443 4.550 -0.008 0.000 0.343 394 Y C -0.888 174.930 175.900 -0.136 0.000 1.036 394 Y CA -0.958 57.076 58.100 -0.111 0.000 1.065 394 Y CB 1.897 40.283 38.460 -0.123 0.000 1.288 394 Y HN 0.486 nan 8.280 nan 0.000 0.481 395 T N 0.374 114.896 114.554 -0.053 0.000 2.956 395 T HA 0.791 5.137 4.350 -0.007 0.000 0.312 395 T C -1.342 173.318 174.700 -0.068 0.000 1.151 395 T CA -1.147 60.888 62.100 -0.108 0.000 1.024 395 T CB 1.992 70.764 68.868 -0.159 0.000 1.140 395 T HN 1.183 nan 8.240 nan 0.000 0.473 396 R N 0.202 120.708 120.500 0.010 0.000 2.604 396 R HA 0.768 5.103 4.340 -0.007 0.000 0.270 396 R C -1.634 174.722 176.300 0.093 0.000 1.052 396 R CA -0.922 55.238 56.100 0.100 0.000 0.902 396 R CB 1.638 32.079 30.300 0.235 0.000 1.233 396 R HN 0.594 nan 8.270 nan 0.000 0.455 397 T N 1.484 116.133 114.554 0.159 0.000 2.861 397 T HA 0.476 4.822 4.350 -0.007 0.000 0.287 397 T C -0.697 174.174 174.700 0.284 0.000 1.003 397 T CA -0.730 61.494 62.100 0.206 0.000 0.977 397 T CB 2.011 71.025 68.868 0.244 0.000 0.996 397 T HN 0.359 nan 8.240 nan 0.000 0.448 398 V N 4.152 124.239 119.914 0.289 0.000 2.555 398 V HA 0.851 4.966 4.120 -0.007 0.000 0.302 398 V C -0.805 175.478 176.094 0.314 0.000 1.038 398 V CA -0.922 61.512 62.300 0.223 0.000 0.887 398 V CB 0.926 32.862 31.823 0.189 0.000 0.991 398 V HN 0.917 nan 8.190 nan 0.000 0.434 399 F N 1.950 121.991 119.950 0.153 0.000 2.654 399 F HA 0.981 5.503 4.527 -0.008 0.000 0.308 399 F C -0.572 175.307 175.800 0.132 0.000 1.108 399 F CA -1.184 56.904 58.000 0.147 0.000 0.957 399 F CB 1.585 40.678 39.000 0.156 0.000 1.309 399 F HN 0.683 nan 8.300 nan 0.000 0.446 400 A N 2.444 125.490 122.820 0.377 0.000 2.455 400 A HA 0.776 5.092 4.320 -0.007 0.000 0.300 400 A C -1.807 175.943 177.584 0.278 0.000 1.040 400 A CA -0.910 51.276 52.037 0.247 0.000 0.697 400 A CB 1.347 20.420 19.000 0.121 0.000 1.265 400 A HN 0.947 nan 8.150 nan 0.000 0.407 401 N N -0.024 118.829 118.700 0.254 0.000 2.328 401 N HA 0.741 5.476 4.740 -0.007 0.000 0.299 401 N C -1.556 174.037 175.510 0.139 0.000 1.179 401 N CA -0.683 52.485 53.050 0.197 0.000 0.793 401 N CB 2.277 40.892 38.487 0.214 0.000 1.366 401 N HN 0.461 nan 8.380 nan 0.000 0.493 402 L N 0.795 122.079 121.223 0.103 0.000 2.438 402 L HA 0.437 4.772 4.340 -0.007 0.000 0.270 402 L C -1.318 175.592 176.870 0.067 0.000 0.972 402 L CA -0.318 54.569 54.840 0.079 0.000 0.831 402 L CB 1.738 43.830 42.059 0.056 0.000 1.273 402 L HN 0.657 nan 8.230 nan 0.000 0.405 403 E N 2.900 123.144 120.200 0.073 0.000 2.256 403 E HA 0.434 4.779 4.350 -0.007 0.000 0.268 403 E C -1.824 174.814 176.600 0.064 0.000 0.877 403 E CA -0.669 55.766 56.400 0.060 0.000 0.757 403 E CB 1.351 31.091 29.700 0.067 0.000 1.183 403 E HN 0.763 nan 8.360 nan 0.000 0.418 404 H N 2.866 121.881 119.070 -0.092 0.000 2.679 404 H HA 0.426 4.977 4.556 -0.007 0.000 0.360 404 H C -1.251 173.923 175.328 -0.256 0.000 1.105 404 H CA -0.787 55.129 56.048 -0.221 0.000 1.196 404 H CB 1.075 30.612 29.762 -0.376 0.000 1.636 404 H HN 0.355 nan 8.280 nan 0.000 0.531 405 N N 4.807 123.053 118.700 -0.757 0.000 2.437 405 N HA 0.145 4.881 4.740 -0.007 0.000 0.259 405 N C -1.153 174.032 175.510 -0.543 0.000 0.983 405 N CA -0.246 52.553 53.050 -0.419 0.000 0.937 405 N CB 0.747 39.125 38.487 -0.181 0.000 1.122 405 N HN 0.315 nan 8.380 nan 0.000 0.499 406 F N 0.699 120.681 119.950 0.053 0.000 2.410 406 F HA 0.273 4.796 4.527 -0.007 0.000 0.348 406 F C 1.663 177.541 175.800 0.131 0.000 1.106 406 F CA -0.779 57.315 58.000 0.157 0.000 1.163 406 F CB 0.869 40.004 39.000 0.225 0.000 1.129 406 F HN 0.544 nan 8.300 nan 0.000 0.516 407 A N 2.782 125.754 122.820 0.252 0.000 2.259 407 A HA -0.197 4.119 4.320 -0.007 0.000 0.212 407 A C 1.900 179.614 177.584 0.216 0.000 1.178 407 A CA 1.303 53.450 52.037 0.184 0.000 0.734 407 A CB -1.129 17.947 19.000 0.126 0.000 0.774 407 A HN 0.971 nan 8.150 nan 0.000 0.481 408 N N -0.732 118.137 118.700 0.282 0.000 2.247 408 N HA -0.119 4.616 4.740 -0.007 0.000 0.189 408 N C 1.320 177.058 175.510 0.379 0.000 1.009 408 N CA 1.026 54.270 53.050 0.323 0.000 0.872 408 N CB -0.131 38.582 38.487 0.378 0.000 0.980 408 N HN 0.684 nan 8.380 nan 0.000 0.436 409 G N -0.933 108.079 108.800 0.353 0.000 2.176 409 G HA2 -0.240 3.716 3.960 -0.007 0.000 0.253 409 G HA3 -0.240 3.716 3.960 -0.007 0.000 0.253 409 G C -0.398 174.683 174.900 0.301 0.000 0.979 409 G CA -0.060 45.224 45.100 0.306 0.000 0.641 409 G HN 0.235 nan 8.290 nan 0.000 0.530 410 W N -0.167 121.258 121.300 0.209 0.000 2.238 410 W HA 0.618 5.274 4.660 -0.008 0.000 0.321 410 W C 0.435 177.179 176.519 0.375 0.000 1.293 410 W CA -0.159 57.327 57.345 0.236 0.000 1.204 410 W CB 1.258 30.807 29.460 0.149 0.000 1.167 410 W HN 0.227 nan 8.180 nan 0.000 0.553 411 V N 3.907 124.100 119.914 0.466 0.000 2.628 411 V HA 0.908 5.024 4.120 -0.007 0.000 0.306 411 V C -0.070 176.290 176.094 0.443 0.000 1.045 411 V CA -0.721 61.816 62.300 0.394 0.000 0.905 411 V CB 1.444 33.389 31.823 0.203 0.000 0.997 411 V HN 0.576 nan 8.190 nan 0.000 0.436 412 G N 4.172 113.231 108.800 0.432 0.000 2.448 412 G HA2 0.680 4.635 3.960 -0.007 0.000 0.324 412 G HA3 0.680 4.635 3.960 -0.007 0.000 0.324 412 G C -1.356 173.550 174.900 0.010 0.000 1.203 412 G CA -0.695 44.580 45.100 0.291 0.000 0.954 412 G HN 0.819 nan 8.290 nan 0.000 0.480 413 K N 1.305 121.560 120.400 -0.241 0.000 2.553 413 K HA 0.529 4.845 4.320 -0.007 0.000 0.250 413 K C -1.440 175.039 176.600 -0.201 0.000 0.953 413 K CA -0.562 55.568 56.287 -0.260 0.000 0.800 413 K CB 2.466 34.699 32.500 -0.446 0.000 1.243 413 K HN 0.323 nan 8.250 nan 0.000 0.435 414 V N 4.095 123.988 119.914 -0.034 0.000 2.435 414 V HA 0.368 4.484 4.120 -0.007 0.000 0.290 414 V C -0.658 175.488 176.094 0.086 0.000 1.030 414 V CA -0.626 61.696 62.300 0.035 0.000 0.881 414 V CB 1.557 33.412 31.823 0.053 0.000 0.983 414 V HN 0.762 nan 8.190 nan 0.000 0.445 415 Q N 4.437 124.312 119.800 0.125 0.000 2.339 415 Q HA 0.587 4.923 4.340 -0.007 0.000 0.268 415 Q C -1.339 174.766 176.000 0.175 0.000 1.027 415 Q CA -0.322 55.579 55.803 0.164 0.000 0.759 415 Q CB 2.277 31.119 28.738 0.174 0.000 1.244 415 Q HN 0.636 nan 8.270 nan 0.000 0.464 416 L N 2.892 124.230 121.223 0.192 0.000 2.296 416 L HA 0.502 4.838 4.340 -0.007 0.000 0.286 416 L C -0.957 176.058 176.870 0.243 0.000 1.023 416 L CA -0.463 54.493 54.840 0.193 0.000 0.812 416 L CB 1.392 43.546 42.059 0.158 0.000 1.223 416 L HN 0.530 nan 8.230 nan 0.000 0.421 417 D N 0.160 120.702 120.400 0.238 0.000 2.646 417 D HA 0.337 4.972 4.640 -0.007 0.000 0.245 417 D C -1.175 175.299 176.300 0.289 0.000 1.099 417 D CA -0.387 53.775 54.000 0.269 0.000 0.849 417 D CB 1.651 42.580 40.800 0.216 0.000 1.448 417 D HN 0.307 nan 8.370 nan 0.000 0.489 418 H N 1.153 120.331 119.070 0.179 0.000 2.638 418 H HA 0.419 4.971 4.556 -0.008 0.000 0.317 418 H C -1.057 174.359 175.328 0.147 0.000 1.006 418 H CA -0.556 55.581 56.048 0.148 0.000 1.222 418 H CB 0.694 30.531 29.762 0.125 0.000 1.419 418 H HN 0.120 nan 8.280 nan 0.000 0.489 419 K N 5.027 125.342 120.400 -0.142 0.000 2.207 419 K HA 0.542 4.857 4.320 -0.007 0.000 0.255 419 K C -1.140 175.327 176.600 -0.222 0.000 0.941 419 K CA -0.781 55.429 56.287 -0.128 0.000 0.825 419 K CB 1.107 33.581 32.500 -0.043 0.000 1.119 419 K HN 0.591 nan 8.250 nan 0.000 0.430 420 I N 2.920 123.410 120.570 -0.132 0.000 2.498 420 I HA 0.254 4.420 4.170 -0.007 0.000 0.290 420 I C -1.218 174.823 176.117 -0.126 0.000 1.032 420 I CA -0.898 60.347 61.300 -0.092 0.000 1.073 420 I CB 2.102 40.110 38.000 0.013 0.000 1.251 420 I HN 0.584 nan 8.210 nan 0.000 0.426 421 N N 4.018 122.608 118.700 -0.184 0.000 2.524 421 N HA 0.630 5.366 4.740 -0.007 0.000 0.261 421 N C -0.504 174.758 175.510 -0.414 0.000 0.998 421 N CA -0.395 52.481 53.050 -0.290 0.000 0.915 421 N CB 2.048 40.424 38.487 -0.184 0.000 1.187 421 N HN 0.733 nan 8.380 nan 0.000 0.507 422 G N 0.857 109.081 108.800 -0.961 0.000 2.481 422 G HA2 0.639 4.595 3.960 -0.007 0.000 0.315 422 G HA3 0.639 4.595 3.960 -0.007 0.000 0.315 422 G C -1.594 172.987 174.900 -0.532 0.000 1.231 422 G CA -0.570 43.870 45.100 -1.099 0.000 0.968 422 G HN 0.457 nan 8.290 nan 0.000 0.482 423 Y N -1.004 119.248 120.300 -0.081 0.000 2.562 423 Y HA 0.785 5.331 4.550 -0.006 0.000 0.345 423 Y C -1.156 174.925 175.900 0.302 0.000 1.045 423 Y CA -1.651 56.557 58.100 0.180 0.000 1.028 423 Y CB 1.971 40.564 38.460 0.223 0.000 1.297 423 Y HN 0.726 nan 8.280 nan 0.000 0.463 424 H N 1.983 121.255 119.070 0.335 0.000 3.239 424 H HA 0.762 5.303 4.556 -0.025 0.000 0.320 424 H C -1.792 173.681 175.328 0.243 0.000 1.074 424 H CA -0.343 55.820 56.048 0.192 0.000 1.553 424 H CB 1.058 30.913 29.762 0.154 0.000 1.752 424 H HN 1.080 nan 8.280 nan 0.000 0.513 425 A N 6.324 129.111 122.820 -0.055 0.000 3.030 425 A HA 0.350 4.666 4.320 -0.007 0.000 0.335 425 A C -2.937 174.545 177.584 -0.169 0.000 1.089 425 A CA -1.481 50.559 52.037 0.005 0.000 0.807 425 A CB 0.426 19.386 19.000 -0.066 0.000 1.099 425 A HN 0.462 nan 8.150 nan 0.000 0.474 426 P HA 0.338 nan 4.420 nan 0.000 0.274 426 P C -0.579 176.954 177.300 0.389 0.000 1.470 426 P CA 0.255 63.315 63.100 -0.067 0.000 1.001 426 P CB 0.618 32.392 31.700 0.123 0.000 1.332 427 L N 2.855 124.290 121.223 0.354 0.000 2.334 427 L HA 0.879 5.215 4.340 -0.007 0.000 0.272 427 L C 0.858 178.070 176.870 0.570 0.000 1.020 427 L CA -0.517 54.568 54.840 0.408 0.000 0.812 427 L CB 2.013 44.243 42.059 0.284 0.000 1.264 427 L HN 0.386 nan 8.230 nan 0.000 0.439 428 G N 1.079 110.026 108.800 0.245 0.000 2.728 428 G HA2 0.683 4.638 3.960 -0.007 0.000 0.294 428 G HA3 0.683 4.638 3.960 -0.007 0.000 0.294 428 G C -1.897 173.035 174.900 0.052 0.000 1.398 428 G CA -0.098 45.092 45.100 0.151 0.000 1.183 428 G HN 0.800 nan 8.290 nan 0.000 0.578 429 A N 2.320 125.211 122.820 0.119 0.000 2.555 429 A HA 0.680 4.995 4.320 -0.007 0.000 0.297 429 A C -0.340 177.237 177.584 -0.011 0.000 1.060 429 A CA -0.711 51.387 52.037 0.102 0.000 0.710 429 A CB 0.754 19.865 19.000 0.184 0.000 1.282 429 A HN 0.925 nan 8.150 nan 0.000 0.399 430 I N 2.330 122.828 120.570 -0.121 0.000 2.752 430 I HA 0.243 4.409 4.170 -0.007 0.000 0.289 430 I C 0.446 176.556 176.117 -0.011 0.000 1.197 430 I CA 1.037 62.231 61.300 -0.177 0.000 1.432 430 I CB 0.429 38.267 38.000 -0.270 0.000 1.359 430 I HN 0.826 nan 8.210 nan 0.000 0.571 431 M N 5.961 125.581 119.600 0.033 0.000 2.414 431 M HA 0.693 5.169 4.480 -0.007 0.000 0.287 431 M C -0.595 175.832 176.300 0.211 0.000 1.181 431 M CA -0.048 55.272 55.300 0.034 0.000 0.933 431 M CB 2.334 34.806 32.600 -0.215 0.000 1.732 431 M HN 0.772 nan 8.290 nan 0.000 0.486 432 G N 1.970 110.820 108.800 0.084 0.000 2.525 432 G HA2 -0.037 3.918 3.960 -0.007 0.000 0.685 432 G HA3 -0.037 3.918 3.960 -0.007 0.000 0.685 432 G C -1.865 172.833 174.900 -0.335 0.000 1.290 432 G CA -0.602 44.454 45.100 -0.074 0.000 0.915 432 G HN 0.826 nan 8.290 nan 0.000 0.548 433 D N 0.836 120.820 120.400 -0.693 0.000 2.416 433 D HA 0.443 5.079 4.640 -0.007 0.000 0.240 433 D C -0.369 175.371 176.300 -0.934 0.000 1.250 433 D CA 0.935 54.570 54.000 -0.608 0.000 0.967 433 D CB -0.171 40.357 40.800 -0.453 0.000 1.059 433 D HN 0.412 nan 8.370 nan 0.000 0.512 434 W N 2.204 123.400 121.300 -0.173 0.000 3.167 434 W HA 0.280 4.937 4.660 -0.005 0.000 0.324 434 W C -2.190 173.938 176.519 -0.653 0.000 1.230 434 W CA -1.901 55.264 57.345 -0.299 0.000 1.184 434 W CB 1.063 30.389 29.460 -0.224 0.000 1.414 434 W HN 0.025 nan 8.180 nan 0.000 0.551 435 P HA 0.346 nan 4.420 nan 0.000 0.275 435 P C -0.502 176.846 177.300 0.080 0.000 1.266 435 P CA -0.040 62.954 63.100 -0.177 0.000 0.793 435 P CB 0.755 32.285 31.700 -0.283 0.000 1.074 436 A N 0.601 123.556 122.820 0.225 0.000 2.242 436 A HA 0.483 4.799 4.320 -0.007 0.000 0.304 436 A C -1.521 176.106 177.584 0.072 0.000 1.100 436 A CA -1.507 50.623 52.037 0.156 0.000 0.860 436 A CB -0.986 18.168 19.000 0.257 0.000 1.168 436 A HN 0.298 nan 8.150 nan 0.000 0.503 437 P HA -0.154 nan 4.420 nan 0.000 0.216 437 P C 0.343 177.673 177.300 0.049 0.000 1.150 437 P CA 1.704 64.825 63.100 0.035 0.000 0.843 437 P CB -0.020 31.694 31.700 0.023 0.000 0.787 438 D N -1.714 118.721 120.400 0.058 0.000 2.400 438 D HA -0.064 4.572 4.640 -0.007 0.000 0.243 438 D C 0.307 176.653 176.300 0.076 0.000 1.184 438 D CA -0.322 53.713 54.000 0.059 0.000 0.853 438 D CB -1.816 39.013 40.800 0.049 0.000 0.944 438 D HN 0.159 nan 8.370 nan 0.000 0.501 439 N N -0.473 118.283 118.700 0.093 0.000 2.753 439 N HA -0.224 4.511 4.740 -0.007 0.000 0.251 439 N C -0.645 174.949 175.510 0.141 0.000 1.097 439 N CA 0.699 53.830 53.050 0.136 0.000 0.786 439 N CB -0.903 37.674 38.487 0.150 0.000 1.137 439 N HN 0.509 nan 8.380 nan 0.000 0.566 440 S N -0.635 115.117 115.700 0.087 0.000 2.693 440 S HA 0.900 5.365 4.470 -0.007 0.000 0.276 440 S C 0.053 174.593 174.600 -0.100 0.000 1.192 440 S CA -0.035 58.167 58.200 0.004 0.000 0.994 440 S CB 2.642 65.818 63.200 -0.041 0.000 1.012 440 S HN 0.517 nan 8.310 nan 0.000 0.550 441 A N 0.418 123.019 122.820 -0.366 0.000 2.602 441 A HA 0.794 5.109 4.320 -0.007 0.000 0.290 441 A C -1.345 175.560 177.584 -1.132 0.000 1.114 441 A CA -1.013 50.511 52.037 -0.856 0.000 0.683 441 A CB 1.316 20.099 19.000 -0.361 0.000 1.281 441 A HN 0.759 nan 8.150 nan 0.000 0.416 442 K N 0.697 120.122 120.400 -1.625 0.000 2.378 442 K HA 0.596 4.912 4.320 -0.007 0.000 0.252 442 K C -1.281 175.053 176.600 -0.444 0.000 0.931 442 K CA -0.736 55.040 56.287 -0.850 0.000 0.794 442 K CB 1.844 33.967 32.500 -0.629 0.000 1.181 442 K HN 0.497 nan 8.250 nan 0.000 0.425 443 I N 2.629 123.066 120.570 -0.221 0.000 2.437 443 I HA 0.307 4.473 4.170 -0.007 0.000 0.298 443 I C 0.038 176.177 176.117 0.037 0.000 0.984 443 I CA -0.933 60.328 61.300 -0.064 0.000 1.214 443 I CB 1.552 39.602 38.000 0.082 0.000 1.365 443 I HN 0.256 nan 8.210 nan 0.000 0.469 444 V N 4.702 124.630 119.914 0.023 0.000 2.435 444 V HA 0.770 4.885 4.120 -0.007 0.000 0.290 444 V C 0.147 176.350 176.094 0.183 0.000 1.030 444 V CA -0.608 61.713 62.300 0.036 0.000 0.881 444 V CB 1.578 33.288 31.823 -0.190 0.000 0.983 444 V HN 0.901 nan 8.190 nan 0.000 0.445 445 A N 5.009 128.004 122.820 0.293 0.000 2.359 445 A HA 0.885 5.201 4.320 -0.007 0.000 0.303 445 A C -0.796 177.087 177.584 0.499 0.000 1.066 445 A CA -0.580 51.734 52.037 0.462 0.000 0.730 445 A CB 1.507 20.769 19.000 0.438 0.000 1.211 445 A HN 0.808 nan 8.150 nan 0.000 0.439 446 Q N 0.548 120.644 119.800 0.493 0.000 2.501 446 Q HA 0.597 4.933 4.340 -0.007 0.000 0.288 446 Q C -1.133 174.692 176.000 -0.291 0.000 1.051 446 Q CA -0.839 55.081 55.803 0.196 0.000 0.788 446 Q CB 2.874 31.680 28.738 0.115 0.000 1.469 446 Q HN 0.639 nan 8.270 nan 0.000 0.416 447 K N 1.497 121.434 120.400 -0.772 0.000 2.545 447 K HA 0.461 4.776 4.320 -0.007 0.000 0.252 447 K C -1.863 174.268 176.600 -0.782 0.000 0.948 447 K CA -0.395 55.295 56.287 -0.995 0.000 0.827 447 K CB 0.944 32.414 32.500 -1.717 0.000 1.128 447 K HN 0.537 nan 8.250 nan 0.000 0.429 448 Y N 1.343 121.533 120.300 -0.183 0.000 2.364 448 Y HA 0.312 4.861 4.550 -0.002 0.000 0.340 448 Y C 0.557 176.467 175.900 0.018 0.000 0.975 448 Y CA -0.707 57.398 58.100 0.007 0.000 1.089 448 Y CB 2.149 40.648 38.460 0.065 0.000 1.192 448 Y HN 0.551 nan 8.280 nan 0.000 0.454 449 T N -0.336 114.269 114.554 0.084 0.000 2.924 449 T HA 0.981 5.327 4.350 -0.007 0.000 0.291 449 T C -0.082 174.354 174.700 -0.440 0.000 1.045 449 T CA -0.495 61.501 62.100 -0.173 0.000 1.015 449 T CB 2.020 70.830 68.868 -0.097 0.000 1.103 449 T HN 1.144 nan 8.240 nan 0.000 0.496 450 G N 0.171 108.427 108.800 -0.908 0.000 2.328 450 G HA2 0.484 4.440 3.960 -0.007 0.000 0.295 450 G HA3 0.484 4.440 3.960 -0.007 0.000 0.295 450 G C -2.132 172.490 174.900 -0.463 0.000 1.413 450 G CA -0.814 43.929 45.100 -0.593 0.000 0.817 450 G HN 0.901 nan 8.290 nan 0.000 0.546 451 E N -0.956 119.194 120.200 -0.082 0.000 2.314 451 E HA 0.665 5.010 4.350 -0.007 0.000 0.272 451 E C -1.194 175.441 176.600 0.059 0.000 0.884 451 E CA -0.630 55.754 56.400 -0.027 0.000 0.753 451 E CB 2.300 32.019 29.700 0.032 0.000 1.213 451 E HN 0.401 nan 8.360 nan 0.000 0.432 452 T N 3.202 117.750 114.554 -0.010 0.000 2.792 452 T HA 0.378 4.724 4.350 -0.007 0.000 0.280 452 T C -0.749 173.955 174.700 0.007 0.000 0.990 452 T CA -0.729 61.370 62.100 -0.002 0.000 0.960 452 T CB 1.023 69.832 68.868 -0.098 0.000 0.939 452 T HN 0.217 nan 8.240 nan 0.000 0.439 453 K N 2.124 122.558 120.400 0.057 0.000 2.213 453 K HA 0.616 4.931 4.320 -0.007 0.000 0.270 453 K C -0.451 176.229 176.600 0.132 0.000 1.002 453 K CA -0.533 55.790 56.287 0.061 0.000 0.868 453 K CB 1.419 34.000 32.500 0.135 0.000 1.093 453 K HN 0.405 nan 8.250 nan 0.000 0.454 454 S N 2.021 117.756 115.700 0.058 0.000 2.482 454 S HA 0.367 4.832 4.470 -0.007 0.000 0.303 454 S C -0.910 173.802 174.600 0.187 0.000 1.091 454 S CA -0.859 57.429 58.200 0.147 0.000 1.057 454 S CB 0.959 64.226 63.200 0.111 0.000 1.031 454 S HN 0.544 nan 8.310 nan 0.000 0.485 455 N N 0.764 119.629 118.700 0.275 0.000 2.314 455 N HA 0.550 5.285 4.740 -0.007 0.000 0.294 455 N C -1.450 174.243 175.510 0.305 0.000 1.029 455 N CA -0.418 52.807 53.050 0.292 0.000 0.845 455 N CB 1.758 40.398 38.487 0.254 0.000 1.321 455 N HN 0.334 nan 8.380 nan 0.000 0.481 456 S N 1.581 117.434 115.700 0.255 0.000 2.538 456 S HA 0.518 4.984 4.470 -0.007 0.000 0.288 456 S C -1.594 173.135 174.600 0.215 0.000 1.108 456 S CA -0.523 57.816 58.200 0.232 0.000 0.971 456 S CB 1.311 64.623 63.200 0.187 0.000 1.041 456 S HN 0.361 nan 8.310 nan 0.000 0.483 457 L N 3.349 124.699 121.223 0.212 0.000 2.349 457 L HA 0.627 4.962 4.340 -0.007 0.000 0.278 457 L C -1.266 175.711 176.870 0.178 0.000 0.996 457 L CA -0.162 54.789 54.840 0.184 0.000 0.825 457 L CB 1.477 43.645 42.059 0.182 0.000 1.243 457 L HN 0.585 nan 8.230 nan 0.000 0.412 458 D N 5.381 125.889 120.400 0.180 0.000 2.481 458 D HA 0.417 5.053 4.640 -0.007 0.000 0.246 458 D C -1.208 175.214 176.300 0.204 0.000 1.109 458 D CA -0.218 53.909 54.000 0.213 0.000 0.845 458 D CB 1.818 42.765 40.800 0.244 0.000 1.160 458 D HN 0.629 nan 8.370 nan 0.000 0.534 459 I N 2.953 123.635 120.570 0.186 0.000 2.545 459 I HA 0.657 4.822 4.170 -0.007 0.000 0.292 459 I C -2.008 174.216 176.117 0.178 0.000 1.040 459 I CA -0.658 60.719 61.300 0.129 0.000 1.068 459 I CB 1.762 39.806 38.000 0.074 0.000 1.251 459 I HN 0.241 nan 8.210 nan 0.000 0.424 460 Y N 4.807 125.167 120.300 0.100 0.000 2.513 460 Y HA 0.782 5.327 4.550 -0.008 0.000 0.340 460 Y C -2.241 173.745 175.900 0.144 0.000 1.055 460 Y CA -1.478 56.670 58.100 0.081 0.000 1.020 460 Y CB 1.048 39.584 38.460 0.126 0.000 1.301 460 Y HN 0.648 nan 8.280 nan 0.000 0.453 461 L N 3.070 124.492 121.223 0.331 0.000 2.325 461 L HA 0.787 5.123 4.340 -0.007 0.000 0.278 461 L C -0.210 176.910 176.870 0.417 0.000 1.023 461 L CA -0.583 54.488 54.840 0.384 0.000 0.811 461 L CB 2.332 44.619 42.059 0.379 0.000 1.249 461 L HN 0.945 nan 8.230 nan 0.000 0.431 462 T N 1.537 116.279 114.554 0.314 0.000 2.912 462 T HA 0.844 5.190 4.350 -0.007 0.000 0.299 462 T C -0.710 173.636 174.700 -0.591 0.000 1.052 462 T CA -0.310 61.749 62.100 -0.068 0.000 0.996 462 T CB 1.570 70.487 68.868 0.082 0.000 1.070 462 T HN 0.833 nan 8.240 nan 0.000 0.465 463 G N 3.779 111.789 108.800 -1.315 0.000 2.466 463 G HA2 0.643 4.599 3.960 -0.007 0.000 0.291 463 G HA3 0.643 4.599 3.960 -0.007 0.000 0.291 463 G C -3.502 170.738 174.900 -1.100 0.000 1.460 463 G CA -0.889 43.063 45.100 -1.913 0.000 0.791 463 G HN 0.561 nan 8.290 nan 0.000 0.505 464 P HA 0.728 nan 4.420 nan 0.000 0.285 464 P C -1.303 176.165 177.300 0.280 0.000 1.269 464 P CA -0.631 62.402 63.100 -0.112 0.000 0.844 464 P CB 1.362 33.002 31.700 -0.100 0.000 1.094 465 F N -2.067 117.923 119.950 0.067 0.000 2.641 465 F HA 0.468 4.991 4.527 -0.007 0.000 0.308 465 F C -1.003 174.906 175.800 0.182 0.000 1.105 465 F CA -1.180 56.926 58.000 0.177 0.000 0.964 465 F CB 1.158 40.294 39.000 0.228 0.000 1.294 465 F HN 0.123 nan 8.300 nan 0.000 0.442 466 Q N 2.389 122.351 119.800 0.269 0.000 2.259 466 Q HA 0.314 4.650 4.340 -0.007 0.000 0.249 466 Q C -1.136 175.151 176.000 0.478 0.000 0.914 466 Q CA -0.258 55.667 55.803 0.203 0.000 0.904 466 Q CB 1.926 30.772 28.738 0.180 0.000 1.213 466 Q HN 0.861 nan 8.270 nan 0.000 0.428 467 F N 1.899 122.015 119.950 0.275 0.000 1.996 467 F HA 0.256 4.779 4.527 -0.007 0.000 0.222 467 F C -0.087 175.852 175.800 0.233 0.000 1.203 467 F CA -0.152 58.050 58.000 0.336 0.000 1.296 467 F CB 0.247 39.470 39.000 0.372 0.000 1.782 467 F HN 0.398 nan 8.300 nan 0.000 0.334 468 L N 1.462 122.670 121.223 -0.025 0.000 2.783 468 L HA 0.389 4.724 4.340 -0.007 0.000 0.235 468 L C 0.861 177.711 176.870 -0.035 0.000 1.260 468 L CA 0.437 55.130 54.840 -0.244 0.000 1.184 468 L CB 0.156 41.983 42.059 -0.386 0.000 1.472 468 L HN 0.716 nan 8.230 nan 0.000 0.426 469 G N 0.460 109.261 108.800 0.003 0.000 2.184 469 G HA2 -0.282 3.673 3.960 -0.007 0.000 0.264 469 G HA3 -0.282 3.673 3.960 -0.007 0.000 0.264 469 G C 0.391 175.285 174.900 -0.010 0.000 0.975 469 G CA 0.273 45.376 45.100 0.004 0.000 0.642 469 G HN 0.488 nan 8.290 nan 0.000 0.536 470 R N -0.504 119.987 120.500 -0.014 0.000 2.888 470 R HA 0.666 5.001 4.340 -0.007 0.000 0.264 470 R C -0.985 174.975 176.300 -0.567 0.000 1.045 470 R CA -1.111 54.868 56.100 -0.201 0.000 0.962 470 R CB 1.201 31.415 30.300 -0.144 0.000 1.210 470 R HN 0.086 nan 8.270 nan 0.000 0.479 471 E N 2.592 122.452 120.200 -0.567 0.000 2.167 471 E HA 0.225 4.570 4.350 -0.007 0.000 0.284 471 E C -0.455 175.635 176.600 -0.851 0.000 1.016 471 E CA -0.176 55.858 56.400 -0.610 0.000 0.817 471 E CB 1.011 30.528 29.700 -0.305 0.000 1.080 471 E HN 0.462 nan 8.360 nan 0.000 0.397 472 H N 0.939 119.703 119.070 -0.511 0.000 2.812 472 H HA 0.486 5.038 4.556 -0.007 0.000 0.355 472 H C 0.165 175.147 175.328 -0.577 0.000 1.207 472 H CA -0.794 54.860 56.048 -0.657 0.000 1.217 472 H CB 1.825 30.976 29.762 -1.019 0.000 1.874 472 H HN 0.500 nan 8.280 nan 0.000 0.581 473 E N 0.481 120.508 120.200 -0.289 0.000 2.416 473 E HA 0.654 4.999 4.350 -0.007 0.000 0.273 473 E C -1.553 175.015 176.600 -0.054 0.000 0.935 473 E CA -1.122 55.190 56.400 -0.145 0.000 0.784 473 E CB 2.888 32.455 29.700 -0.221 0.000 1.301 473 E HN 0.278 nan 8.360 nan 0.000 0.454 474 L N 0.526 121.694 121.223 -0.092 0.000 2.506 474 L HA 0.562 4.898 4.340 -0.007 0.000 0.257 474 L C -1.994 174.811 176.870 -0.107 0.000 0.964 474 L CA -0.653 54.150 54.840 -0.063 0.000 0.836 474 L CB 2.482 44.541 42.059 0.001 0.000 1.384 474 L HN 0.594 nan 8.230 nan 0.000 0.410 475 V N 3.166 123.069 119.914 -0.019 0.000 2.588 475 V HA 0.748 4.864 4.120 -0.007 0.000 0.304 475 V C -0.918 175.221 176.094 0.075 0.000 1.042 475 V CA -0.807 61.520 62.300 0.045 0.000 0.877 475 V CB 1.657 33.509 31.823 0.047 0.000 0.996 475 V HN 0.582 nan 8.190 nan 0.000 0.425 476 V N 3.585 123.554 119.914 0.091 0.000 2.577 476 V HA 0.999 5.114 4.120 -0.007 0.000 0.303 476 V C 0.116 176.129 176.094 -0.134 0.000 1.042 476 V CA 0.535 62.822 62.300 -0.023 0.000 0.872 476 V CB 1.447 33.280 31.823 0.017 0.000 0.998 476 V HN 1.173 nan 8.190 nan 0.000 0.423 477 G N 3.105 111.545 108.800 -0.600 0.000 2.642 477 G HA2 0.697 4.652 3.960 -0.007 0.000 0.293 477 G HA3 0.697 4.652 3.960 -0.007 0.000 0.293 477 G C -1.062 173.442 174.900 -0.660 0.000 1.341 477 G CA -0.391 44.300 45.100 -0.681 0.000 0.916 477 G HN 0.882 nan 8.290 nan 0.000 0.474 478 T N -1.286 113.125 114.554 -0.238 0.000 2.903 478 T HA 0.746 5.091 4.350 -0.007 0.000 0.299 478 T C -0.580 174.169 174.700 0.082 0.000 1.093 478 T CA -0.020 62.036 62.100 -0.072 0.000 1.002 478 T CB 1.582 70.439 68.868 -0.019 0.000 1.127 478 T HN 1.563 nan 8.240 nan 0.000 0.488 479 S N 1.500 117.281 115.700 0.134 0.000 2.556 479 S HA 0.886 5.351 4.470 -0.007 0.000 0.271 479 S C -1.406 173.260 174.600 0.110 0.000 1.135 479 S CA -0.522 57.775 58.200 0.161 0.000 0.858 479 S CB 1.626 64.958 63.200 0.220 0.000 1.114 479 S HN 1.308 nan 8.310 nan 0.000 0.468 480 A N 1.588 124.477 122.820 0.114 0.000 2.408 480 A HA 0.848 5.164 4.320 -0.007 0.000 0.295 480 A C -0.441 177.185 177.584 0.069 0.000 1.040 480 A CA -0.417 51.651 52.037 0.051 0.000 0.707 480 A CB 1.392 20.474 19.000 0.136 0.000 1.235 480 A HN 1.928 nan 8.150 nan 0.000 0.418 481 S N 0.814 116.456 115.700 -0.097 0.000 2.538 481 S HA 0.892 5.358 4.470 -0.007 0.000 0.288 481 S C -1.154 173.349 174.600 -0.161 0.000 1.108 481 S CA -0.564 57.651 58.200 0.024 0.000 0.971 481 S CB 1.003 64.242 63.200 0.065 0.000 1.041 481 S HN 0.530 nan 8.310 nan 0.000 0.483 482 F N 1.547 121.547 119.950 0.084 0.000 2.518 482 F HA 0.740 5.262 4.527 -0.008 0.000 0.323 482 F C 0.386 176.265 175.800 0.131 0.000 1.129 482 F CA -0.363 57.688 58.000 0.085 0.000 0.920 482 F CB 2.465 41.515 39.000 0.084 0.000 1.160 482 F HN 0.851 nan 8.300 nan 0.000 0.440 483 S N 1.394 117.286 115.700 0.320 0.000 2.540 483 S HA 0.517 4.982 4.470 -0.007 0.000 0.275 483 S C -1.631 173.251 174.600 0.471 0.000 1.123 483 S CA -0.696 57.723 58.200 0.366 0.000 0.907 483 S CB 1.826 65.230 63.200 0.340 0.000 1.081 483 S HN 0.872 nan 8.310 nan 0.000 0.476 484 H N 1.761 121.001 119.070 0.284 0.000 2.970 484 H HA 0.330 4.882 4.556 -0.006 0.000 0.315 484 H C -1.795 173.651 175.328 0.197 0.000 0.992 484 H CA -0.546 55.642 56.048 0.233 0.000 1.363 484 H CB 0.564 30.434 29.762 0.181 0.000 1.532 484 H HN 0.766 nan 8.280 nan 0.000 0.514 485 W N 6.653 127.885 121.300 -0.112 0.000 2.331 485 W HA 0.318 4.972 4.660 -0.011 0.000 0.306 485 W C -1.176 175.189 176.519 -0.256 0.000 1.162 485 W CA -0.702 56.449 57.345 -0.323 0.000 1.232 485 W CB 0.551 29.636 29.460 -0.625 0.000 1.235 485 W HN 0.610 nan 8.180 nan 0.000 0.479 486 E N 3.756 123.894 120.200 -0.104 0.000 2.210 486 E HA 0.684 5.030 4.350 -0.007 0.000 0.266 486 E C -0.268 176.242 176.600 -0.149 0.000 0.883 486 E CA -0.771 55.486 56.400 -0.239 0.000 0.761 486 E CB 1.984 31.546 29.700 -0.230 0.000 1.156 486 E HN 0.585 nan 8.360 nan 0.000 0.412 487 G N 2.006 110.682 108.800 -0.207 0.000 2.698 487 G HA2 0.491 4.446 3.960 -0.007 0.000 0.293 487 G HA3 0.491 4.446 3.960 -0.007 0.000 0.293 487 G C -1.346 173.465 174.900 -0.148 0.000 1.437 487 G CA -0.671 44.357 45.100 -0.121 0.000 0.852 487 G HN 0.241 nan 8.290 nan 0.000 0.499 488 K N 0.272 120.590 120.400 -0.137 0.000 2.316 488 K HA 0.728 5.044 4.320 -0.007 0.000 0.251 488 K C -0.672 175.789 176.600 -0.230 0.000 0.934 488 K CA -0.569 55.517 56.287 -0.335 0.000 0.802 488 K CB 2.228 34.539 32.500 -0.315 0.000 1.171 488 K HN 0.452 nan 8.250 nan 0.000 0.426 489 S N 1.260 116.686 115.700 -0.456 0.000 2.600 489 S HA 0.595 5.061 4.470 -0.007 0.000 0.300 489 S C -1.513 172.620 174.600 -0.779 0.000 1.087 489 S CA -0.758 57.251 58.200 -0.319 0.000 0.965 489 S CB 0.756 64.001 63.200 0.075 0.000 1.089 489 S HN 0.390 nan 8.310 nan 0.000 0.496 490 Y N 0.735 120.698 120.300 -0.561 0.000 2.396 490 Y HA 0.432 4.992 4.550 0.017 0.000 0.332 490 Y C -0.189 175.568 175.900 -0.237 0.000 1.034 490 Y CA -1.140 56.665 58.100 -0.492 0.000 1.057 490 Y CB 1.128 39.374 38.460 -0.357 0.000 1.220 490 Y HN 0.980 nan 8.280 nan 0.000 0.440 491 W N -0.317 121.019 121.300 0.060 0.000 2.121 491 W HA 0.379 5.038 4.660 -0.003 0.000 0.275 491 W C -0.694 175.885 176.519 0.101 0.000 0.903 491 W CA -0.365 57.030 57.345 0.084 0.000 1.253 491 W CB 0.107 29.598 29.460 0.051 0.000 1.016 491 W HN 0.173 nan 8.180 nan 0.000 0.537 492 N N 3.179 121.942 118.700 0.105 0.000 3.245 492 N HA 0.188 4.924 4.740 -0.007 0.000 0.296 492 N C -0.232 175.348 175.510 0.117 0.000 1.254 492 N CA 0.161 53.297 53.050 0.143 0.000 1.190 492 N CB -0.081 38.418 38.487 0.021 0.000 1.460 492 N HN 0.172 nan 8.380 nan 0.000 0.538 493 L N 1.255 122.563 121.223 0.142 0.000 2.499 493 L HA 0.134 4.469 4.340 -0.007 0.000 0.273 493 L C 0.929 177.825 176.870 0.044 0.000 1.195 493 L CA -0.036 54.837 54.840 0.054 0.000 0.882 493 L CB 0.330 42.400 42.059 0.019 0.000 1.133 493 L HN 0.001 nan 8.230 nan 0.000 0.483 494 R N 3.162 123.659 120.500 -0.004 0.000 2.207 494 R HA 0.190 4.526 4.340 -0.007 0.000 0.334 494 R C 0.008 176.314 176.300 0.009 0.000 1.013 494 R CA -0.647 55.456 56.100 0.006 0.000 0.858 494 R CB 0.499 30.793 30.300 -0.010 0.000 1.094 494 R HN 0.629 nan 8.270 nan 0.000 0.457 495 N N 0.871 119.593 118.700 0.037 0.000 2.735 495 N HA -0.281 4.455 4.740 -0.007 0.000 0.248 495 N C -1.132 174.428 175.510 0.083 0.000 1.083 495 N CA 0.781 53.855 53.050 0.040 0.000 0.703 495 N CB -1.278 37.217 38.487 0.013 0.000 1.005 495 N HN 0.560 nan 8.380 nan 0.000 0.550 496 Y N 1.020 121.280 120.300 -0.066 0.000 2.352 496 Y HA 0.435 4.986 4.550 0.002 0.000 0.326 496 Y C -0.110 175.763 175.900 -0.046 0.000 1.166 496 Y CA -1.457 56.596 58.100 -0.079 0.000 1.182 496 Y CB 1.073 39.468 38.460 -0.108 0.000 1.216 496 Y HN 0.079 nan 8.280 nan 0.000 0.474 497 D N 4.346 124.435 120.400 -0.519 0.000 2.485 497 D HA 0.069 4.704 4.640 -0.007 0.000 0.229 497 D C -0.075 175.769 176.300 -0.760 0.000 1.101 497 D CA -0.363 53.360 54.000 -0.461 0.000 0.906 497 D CB -0.052 40.584 40.800 -0.274 0.000 1.019 497 D HN 0.722 nan 8.370 nan 0.000 0.516 498 N N 2.087 120.442 118.700 -0.575 0.000 2.370 498 N HA -0.060 4.675 4.740 -0.007 0.000 0.198 498 N C 0.079 175.414 175.510 -0.292 0.000 1.156 498 N CA -0.257 52.499 53.050 -0.489 0.000 0.839 498 N CB -0.130 38.286 38.487 -0.118 0.000 0.989 498 N HN 0.311 nan 8.380 nan 0.000 0.468 499 T N -2.432 111.955 114.554 -0.278 0.000 2.882 499 T HA 0.323 4.669 4.350 -0.007 0.000 0.287 499 T C -0.236 174.360 174.700 -0.173 0.000 0.992 499 T CA -0.497 61.451 62.100 -0.253 0.000 1.076 499 T CB 1.705 70.447 68.868 -0.211 0.000 0.961 499 T HN 0.042 nan 8.240 nan 0.000 0.490 500 T N 1.546 116.004 114.554 -0.161 0.000 2.829 500 T HA 0.313 4.659 4.350 -0.007 0.000 0.280 500 T C 1.095 175.792 174.700 -0.005 0.000 0.999 500 T CA -0.652 61.439 62.100 -0.016 0.000 0.983 500 T CB 1.030 69.958 68.868 0.099 0.000 0.968 500 T HN 0.811 nan 8.240 nan 0.000 0.446 501 D N 2.669 123.094 120.400 0.042 0.000 2.224 501 D HA -0.030 4.605 4.640 -0.007 0.000 0.205 501 D C 0.243 176.592 176.300 0.082 0.000 0.965 501 D CA 0.530 54.554 54.000 0.040 0.000 0.852 501 D CB 0.268 41.087 40.800 0.033 0.000 0.947 501 D HN 0.508 nan 8.370 nan 0.000 0.494 502 D N -0.893 119.590 120.400 0.138 0.000 2.336 502 D HA 0.082 4.717 4.640 -0.007 0.000 0.248 502 D C -0.148 176.320 176.300 0.280 0.000 1.326 502 D CA -0.853 53.257 54.000 0.183 0.000 0.973 502 D CB 0.294 41.174 40.800 0.134 0.000 1.255 502 D HN -0.125 nan 8.370 nan 0.000 0.558 503 F N 3.521 123.567 119.950 0.160 0.000 2.113 503 F HA 0.067 4.590 4.527 -0.007 0.000 0.297 503 F C 1.707 177.716 175.800 0.349 0.000 1.103 503 F CA 1.205 59.341 58.000 0.226 0.000 1.248 503 F CB 0.005 39.094 39.000 0.147 0.000 0.999 503 F HN 0.419 nan 8.300 nan 0.000 0.475 504 I N 0.501 121.305 120.570 0.390 0.000 2.423 504 I HA -0.327 3.838 4.170 -0.007 0.000 0.254 504 I C 0.932 177.157 176.117 0.178 0.000 1.151 504 I CA 1.836 63.314 61.300 0.296 0.000 1.421 504 I CB -0.476 37.685 38.000 0.268 0.000 1.079 504 I HN 0.272 nan 8.210 nan 0.000 0.431 505 N N -0.960 117.830 118.700 0.150 0.000 2.200 505 N HA -0.002 4.733 4.740 -0.007 0.000 0.224 505 N C -0.063 175.475 175.510 0.046 0.000 1.179 505 N CA -0.374 52.726 53.050 0.082 0.000 0.877 505 N CB 0.236 38.761 38.487 0.064 0.000 1.072 505 N HN 0.284 nan 8.380 nan 0.000 0.519 506 W N 2.080 123.281 121.300 -0.164 0.000 2.571 506 W HA -0.180 4.474 4.660 -0.010 0.000 0.334 506 W C -0.042 176.282 176.519 -0.325 0.000 1.141 506 W CA 0.994 58.184 57.345 -0.259 0.000 1.299 506 W CB 0.567 29.805 29.460 -0.370 0.000 1.154 506 W HN 0.206 nan 8.180 nan 0.000 0.563 507 D N 1.998 121.753 120.400 -1.075 0.000 2.489 507 D HA 0.138 4.774 4.640 -0.007 0.000 0.231 507 D C 1.689 176.911 176.300 -1.797 0.000 1.114 507 D CA 0.994 54.373 54.000 -1.035 0.000 0.842 507 D CB 0.402 40.800 40.800 -0.670 0.000 1.133 507 D HN 0.712 nan 8.370 nan 0.000 0.506 508 G N 1.584 108.836 108.800 -2.580 0.000 2.176 508 G HA2 -0.268 3.688 3.960 -0.007 0.000 0.253 508 G HA3 -0.268 3.688 3.960 -0.007 0.000 0.253 508 G C 0.300 174.531 174.900 -1.115 0.000 0.979 508 G CA 0.326 44.313 45.100 -1.855 0.000 0.641 508 G HN 0.370 nan 8.290 nan 0.000 0.530 509 D N 0.844 120.672 120.400 -0.953 0.000 2.688 509 D HA 0.466 5.101 4.640 -0.007 0.000 0.228 509 D C 0.488 176.664 176.300 -0.206 0.000 1.116 509 D CA -0.169 53.579 54.000 -0.421 0.000 1.023 509 D CB -0.456 40.154 40.800 -0.317 0.000 1.100 509 D HN 0.489 nan 8.370 nan 0.000 0.487 510 I N 0.592 121.129 120.570 -0.054 0.000 2.740 510 I HA 0.574 4.740 4.170 -0.007 0.000 0.303 510 I C 0.839 177.178 176.117 0.371 0.000 1.044 510 I CA -1.044 60.380 61.300 0.207 0.000 1.064 510 I CB 1.709 39.949 38.000 0.399 0.000 1.249 510 I HN 0.254 nan 8.210 nan 0.000 0.433 511 G N 3.998 112.983 108.800 0.308 0.000 2.732 511 G HA2 0.072 4.027 3.960 -0.007 0.000 0.244 511 G HA3 0.072 4.027 3.960 -0.007 0.000 0.244 511 G C -0.745 174.360 174.900 0.341 0.000 1.226 511 G CA -0.304 44.961 45.100 0.275 0.000 0.860 511 G HN 0.712 nan 8.290 nan 0.000 0.583 512 K N 0.830 121.086 120.400 -0.240 0.000 2.221 512 K HA 0.536 4.851 4.320 -0.007 0.000 0.258 512 K C -2.240 173.753 176.600 -1.010 0.000 0.944 512 K CA -1.570 54.076 56.287 -1.068 0.000 0.823 512 K CB 1.826 33.559 32.500 -1.277 0.000 1.113 512 K HN 0.273 nan 8.250 nan 0.000 0.431 513 P HA 0.153 nan 4.420 nan 0.000 0.284 513 P C -1.347 175.266 177.300 -1.143 0.000 1.292 513 P CA -0.533 61.680 63.100 -1.479 0.000 0.800 513 P CB 0.511 31.058 31.700 -1.922 0.000 1.188 514 D N -0.515 119.475 120.400 -0.684 0.000 2.339 514 D HA 0.073 4.709 4.640 -0.007 0.000 0.241 514 D C 0.275 176.338 176.300 -0.395 0.000 1.183 514 D CA -0.289 53.434 54.000 -0.462 0.000 0.859 514 D CB 0.083 40.752 40.800 -0.218 0.000 1.067 514 D HN 0.291 nan 8.370 nan 0.000 0.484 515 W N 3.657 124.803 121.300 -0.257 0.000 2.525 515 W HA 0.114 4.742 4.660 -0.054 0.000 0.259 515 W C 1.813 178.290 176.519 -0.069 0.000 1.253 515 W CA 0.288 57.491 57.345 -0.237 0.000 1.262 515 W CB -0.057 29.115 29.460 -0.480 0.000 1.122 515 W HN 0.721 nan 8.180 nan 0.000 0.607 516 G N 0.479 109.354 108.800 0.124 0.000 2.598 516 G HA2 -0.282 3.674 3.960 -0.007 0.000 0.244 516 G HA3 -0.282 3.674 3.960 -0.007 0.000 0.244 516 G C 0.144 175.160 174.900 0.194 0.000 1.302 516 G CA 0.024 45.190 45.100 0.111 0.000 0.903 516 G HN 0.230 nan 8.290 nan 0.000 0.575 517 T N -0.313 114.297 114.554 0.094 0.000 2.902 517 T HA 0.669 5.015 4.350 -0.007 0.000 0.280 517 T C -2.605 171.949 174.700 -0.242 0.000 0.992 517 T CA -1.018 61.099 62.100 0.028 0.000 1.015 517 T CB 1.786 70.644 68.868 -0.016 0.000 1.044 517 T HN 0.575 nan 8.240 nan 0.000 0.520 518 P HA 0.225 nan 4.420 nan 0.000 0.264 518 P C 0.425 177.250 177.300 -0.792 0.000 1.193 518 P CA -0.069 62.383 63.100 -1.081 0.000 0.763 518 P CB 0.446 31.445 31.700 -1.169 0.000 0.810 519 S N 0.945 116.040 115.700 -1.007 0.000 2.436 519 S HA -0.077 4.388 4.470 -0.007 0.000 0.228 519 S C 0.680 174.802 174.600 -0.797 0.000 1.014 519 S CA 0.786 58.351 58.200 -1.058 0.000 0.950 519 S CB -0.125 61.715 63.200 -2.267 0.000 0.784 519 S HN 0.612 nan 8.310 nan 0.000 0.504 520 Q N -0.949 118.373 119.800 -0.798 0.000 2.426 520 Q HA 0.385 4.721 4.340 -0.007 0.000 0.278 520 Q C -2.277 173.376 176.000 -0.579 0.000 1.007 520 Q CA -0.669 54.862 55.803 -0.455 0.000 0.850 520 Q CB 1.070 29.670 28.738 -0.229 0.000 1.427 520 Q HN 0.246 nan 8.270 nan 0.000 0.391 521 Y N 2.524 122.708 120.300 -0.193 0.000 2.341 521 Y HA 0.458 5.004 4.550 -0.007 0.000 0.338 521 Y C 0.080 175.861 175.900 -0.199 0.000 0.965 521 Y CA -0.820 57.166 58.100 -0.189 0.000 1.108 521 Y CB 1.318 39.688 38.460 -0.150 0.000 1.180 521 Y HN 0.415 nan 8.280 nan 0.000 0.458 522 I N 2.420 122.883 120.570 -0.179 0.000 2.532 522 I HA 0.276 4.442 4.170 -0.007 0.000 0.292 522 I C -0.570 175.372 176.117 -0.291 0.000 1.014 522 I CA -0.330 60.742 61.300 -0.380 0.000 1.340 522 I CB 1.589 39.061 38.000 -0.880 0.000 1.422 522 I HN 0.662 nan 8.210 nan 0.000 0.528 523 D N 3.090 123.353 120.400 -0.229 0.000 2.445 523 D HA 0.274 4.910 4.640 -0.007 0.000 0.236 523 D C -1.313 175.011 176.300 0.041 0.000 1.315 523 D CA -0.184 53.791 54.000 -0.042 0.000 0.924 523 D CB 0.752 41.587 40.800 0.058 0.000 1.447 523 D HN 0.466 nan 8.370 nan 0.000 0.532 524 D N 1.569 122.024 120.400 0.091 0.000 2.248 524 D HA 0.506 5.141 4.640 -0.007 0.000 0.246 524 D C -0.785 175.759 176.300 0.407 0.000 1.027 524 D CA -0.404 53.755 54.000 0.266 0.000 0.853 524 D CB 1.153 42.204 40.800 0.418 0.000 1.243 524 D HN 0.029 nan 8.370 nan 0.000 0.462 525 K N 1.518 122.111 120.400 0.323 0.000 2.463 525 K HA 0.470 4.786 4.320 -0.007 0.000 0.255 525 K C -1.141 175.577 176.600 0.197 0.000 0.942 525 K CA -0.706 55.748 56.287 0.278 0.000 0.814 525 K CB 2.115 34.678 32.500 0.105 0.000 1.122 525 K HN 0.268 nan 8.250 nan 0.000 0.425 526 T N 2.576 117.241 114.554 0.186 0.000 2.794 526 T HA 0.337 4.683 4.350 -0.007 0.000 0.280 526 T C -0.713 173.890 174.700 -0.161 0.000 0.987 526 T CA -0.618 61.431 62.100 -0.086 0.000 0.993 526 T CB 0.894 69.643 68.868 -0.199 0.000 0.939 526 T HN 0.277 nan 8.240 nan 0.000 0.449 527 R N 2.908 123.214 120.500 -0.323 0.000 2.439 527 R HA 0.306 4.641 4.340 -0.007 0.000 0.310 527 R C -1.131 174.916 176.300 -0.421 0.000 0.955 527 R CA -0.561 55.300 56.100 -0.397 0.000 0.853 527 R CB 1.304 31.394 30.300 -0.351 0.000 1.171 527 R HN 0.560 nan 8.270 nan 0.000 0.449 528 Q N 4.567 124.167 119.800 -0.333 0.000 2.312 528 Q HA 0.463 4.798 4.340 -0.007 0.000 0.263 528 Q C -1.092 174.830 176.000 -0.129 0.000 0.995 528 Q CA -0.745 54.981 55.803 -0.129 0.000 0.853 528 Q CB 2.013 30.745 28.738 -0.010 0.000 1.300 528 Q HN 0.568 nan 8.270 nan 0.000 0.448 529 L N 1.419 122.621 121.223 -0.035 0.000 2.409 529 L HA 0.699 5.035 4.340 -0.007 0.000 0.272 529 L C 0.123 177.031 176.870 0.063 0.000 0.980 529 L CA -0.824 54.010 54.840 -0.011 0.000 0.826 529 L CB 2.281 44.327 42.059 -0.021 0.000 1.268 529 L HN 0.626 nan 8.230 nan 0.000 0.407 530 G N 0.929 109.784 108.800 0.090 0.000 2.481 530 G HA2 0.751 4.706 3.960 -0.007 0.000 0.315 530 G HA3 0.751 4.706 3.960 -0.007 0.000 0.315 530 G C -1.232 173.751 174.900 0.139 0.000 1.231 530 G CA -0.436 44.747 45.100 0.139 0.000 0.968 530 G HN 0.445 nan 8.290 nan 0.000 0.482 531 S N -0.250 115.538 115.700 0.147 0.000 2.614 531 S HA 0.700 5.166 4.470 -0.007 0.000 0.288 531 S C -1.333 173.354 174.600 0.144 0.000 1.137 531 S CA -0.577 57.661 58.200 0.063 0.000 0.992 531 S CB 1.164 64.387 63.200 0.038 0.000 1.026 531 S HN 0.834 nan 8.310 nan 0.000 0.486 532 Y N -0.233 120.102 120.300 0.057 0.000 2.588 532 Y HA 0.865 5.410 4.550 -0.007 0.000 0.343 532 Y C -0.880 175.044 175.900 0.040 0.000 1.065 532 Y CA -1.469 56.654 58.100 0.038 0.000 1.038 532 Y CB 1.603 40.054 38.460 -0.016 0.000 1.297 532 Y HN 0.654 nan 8.280 nan 0.000 0.467 533 M N 2.225 121.959 119.600 0.224 0.000 2.333 533 M HA 0.563 5.039 4.480 -0.007 0.000 0.286 533 M C -2.269 174.110 176.300 0.133 0.000 1.113 533 M CA 0.001 55.377 55.300 0.127 0.000 0.959 533 M CB 2.331 34.987 32.600 0.093 0.000 1.776 533 M HN 0.929 nan 8.290 nan 0.000 0.492 534 T N 2.926 117.531 114.554 0.086 0.000 2.971 534 T HA 0.812 5.158 4.350 -0.007 0.000 0.304 534 T C -1.196 173.515 174.700 0.018 0.000 1.038 534 T CA -0.615 61.525 62.100 0.066 0.000 1.007 534 T CB 1.773 70.638 68.868 -0.005 0.000 1.055 534 T HN 0.734 nan 8.240 nan 0.000 0.451 535 A N 2.515 125.346 122.820 0.018 0.000 2.337 535 A HA 0.852 5.168 4.320 -0.007 0.000 0.329 535 A C -0.214 177.189 177.584 -0.301 0.000 1.146 535 A CA -0.859 51.061 52.037 -0.195 0.000 0.800 535 A CB 1.110 19.887 19.000 -0.372 0.000 1.220 535 A HN 0.759 nan 8.150 nan 0.000 0.472 536 R N 2.322 122.542 120.500 -0.467 0.000 2.312 536 R HA 0.462 4.798 4.340 -0.007 0.000 0.310 536 R C -1.883 174.188 176.300 -0.383 0.000 1.064 536 R CA -0.251 55.517 56.100 -0.553 0.000 0.983 536 R CB 0.231 30.156 30.300 -0.626 0.000 1.139 536 R HN 0.600 nan 8.270 nan 0.000 0.536 537 F N 2.468 122.340 119.950 -0.130 0.000 2.411 537 F HA 0.227 4.750 4.527 -0.007 0.000 0.355 537 F C 1.112 176.987 175.800 0.125 0.000 1.117 537 F CA -0.565 57.447 58.000 0.020 0.000 1.139 537 F CB 1.038 39.965 39.000 -0.121 0.000 1.120 537 F HN 0.335 nan 8.300 nan 0.000 0.493 538 N N 3.801 122.766 118.700 0.442 0.000 2.605 538 N HA 0.069 4.804 4.740 -0.007 0.000 0.258 538 N C 0.737 176.398 175.510 0.251 0.000 1.156 538 N CA -0.036 53.127 53.050 0.187 0.000 1.008 538 N CB 0.756 39.231 38.487 -0.020 0.000 1.354 538 N HN 0.473 nan 8.380 nan 0.000 0.509 539 V N 2.072 122.116 119.914 0.215 0.000 2.302 539 V HA -0.089 4.026 4.120 -0.007 0.000 0.243 539 V C 1.549 177.719 176.094 0.126 0.000 1.036 539 V CA 1.733 64.142 62.300 0.181 0.000 1.020 539 V CB -0.191 31.712 31.823 0.133 0.000 0.657 539 V HN 0.749 nan 8.190 nan 0.000 0.453 540 T N -3.987 110.634 114.554 0.111 0.000 2.678 540 T HA 0.269 4.615 4.350 -0.007 0.000 0.260 540 T C 0.448 175.185 174.700 0.061 0.000 0.932 540 T CA -0.295 61.855 62.100 0.083 0.000 1.043 540 T CB 1.171 70.099 68.868 0.099 0.000 1.413 540 T HN 0.083 nan 8.240 nan 0.000 0.568 541 D N 0.555 120.979 120.400 0.041 0.000 2.348 541 D HA 0.087 4.722 4.640 -0.007 0.000 0.211 541 D C 0.190 176.487 176.300 -0.005 0.000 0.998 541 D CA 0.575 54.581 54.000 0.010 0.000 0.873 541 D CB 0.183 40.982 40.800 -0.002 0.000 0.925 541 D HN 0.555 nan 8.370 nan 0.000 0.524 542 D N 0.299 120.707 120.400 0.013 0.000 2.503 542 D HA 0.083 4.719 4.640 -0.007 0.000 0.218 542 D C 0.212 176.542 176.300 0.050 0.000 1.183 542 D CA -0.253 53.709 54.000 -0.063 0.000 0.827 542 D CB 1.071 41.700 40.800 -0.284 0.000 1.034 542 D HN 0.062 nan 8.370 nan 0.000 0.510 543 L N 1.259 122.568 121.223 0.143 0.000 2.381 543 L HA 0.466 4.802 4.340 -0.007 0.000 0.274 543 L C -1.472 175.504 176.870 0.177 0.000 0.988 543 L CA -0.397 54.578 54.840 0.224 0.000 0.824 543 L CB 1.744 43.961 42.059 0.263 0.000 1.263 543 L HN -0.224 nan 8.230 nan 0.000 0.410 544 N N 4.951 123.771 118.700 0.200 0.000 2.296 544 N HA 0.511 5.247 4.740 -0.007 0.000 0.294 544 N C -1.746 173.907 175.510 0.238 0.000 1.033 544 N CA -0.495 52.657 53.050 0.170 0.000 0.839 544 N CB 2.816 41.376 38.487 0.121 0.000 1.395 544 N HN 0.458 nan 8.380 nan 0.000 0.479 545 L N 2.313 123.656 121.223 0.200 0.000 2.346 545 L HA 0.637 4.973 4.340 -0.007 0.000 0.276 545 L C -1.582 175.450 176.870 0.270 0.000 1.006 545 L CA -0.439 54.573 54.840 0.286 0.000 0.817 545 L CB 0.988 43.182 42.059 0.226 0.000 1.272 545 L HN 0.342 nan 8.230 nan 0.000 0.421 546 F N 5.487 125.603 119.950 0.277 0.000 2.467 546 F HA 0.637 5.159 4.527 -0.007 0.000 0.336 546 F C -0.533 175.473 175.800 0.344 0.000 1.123 546 F CA -0.387 57.803 58.000 0.316 0.000 0.964 546 F CB 1.586 40.812 39.000 0.377 0.000 1.136 546 F HN 0.201 nan 8.300 nan 0.000 0.447 547 L N 3.627 125.146 121.223 0.494 0.000 2.446 547 L HA 0.763 5.099 4.340 -0.007 0.000 0.268 547 L C -0.125 176.971 176.870 0.377 0.000 0.975 547 L CA -0.354 54.741 54.840 0.425 0.000 0.848 547 L CB 1.668 43.960 42.059 0.388 0.000 1.225 547 L HN 0.786 nan 8.230 nan 0.000 0.410 548 G N 1.280 110.318 108.800 0.397 0.000 2.827 548 G HA2 0.880 4.836 3.960 -0.007 0.000 0.296 548 G HA3 0.880 4.836 3.960 -0.007 0.000 0.296 548 G C -1.114 173.969 174.900 0.306 0.000 1.362 548 G CA -0.375 44.900 45.100 0.292 0.000 0.809 548 G HN 0.776 nan 8.290 nan 0.000 0.522 549 G N -1.181 107.741 108.800 0.203 0.000 2.377 549 G HA2 0.529 4.485 3.960 -0.007 0.000 0.297 549 G HA3 0.529 4.485 3.960 -0.007 0.000 0.297 549 G C -1.799 173.162 174.900 0.103 0.000 1.547 549 G CA -0.765 44.392 45.100 0.095 0.000 0.833 549 G HN 0.579 nan 8.290 nan 0.000 0.583 550 R N -0.009 120.454 120.500 -0.060 0.000 2.561 550 R HA 0.687 5.023 4.340 -0.007 0.000 0.297 550 R C -0.865 175.499 176.300 0.106 0.000 0.969 550 R CA -0.721 55.425 56.100 0.077 0.000 0.879 550 R CB 2.155 32.461 30.300 0.010 0.000 1.178 550 R HN 0.929 nan 8.270 nan 0.000 0.445 551 V N 4.468 124.516 119.914 0.224 0.000 2.472 551 V HA 0.682 4.797 4.120 -0.007 0.000 0.290 551 V C -1.141 175.063 176.094 0.182 0.000 1.037 551 V CA -0.246 62.200 62.300 0.244 0.000 0.908 551 V CB 1.784 33.770 31.823 0.272 0.000 0.985 551 V HN 0.501 nan 8.190 nan 0.000 0.454 552 V N 5.471 125.502 119.914 0.195 0.000 2.656 552 V HA 0.585 4.700 4.120 -0.007 0.000 0.307 552 V C -0.886 175.329 176.094 0.202 0.000 1.051 552 V CA -0.513 61.906 62.300 0.199 0.000 0.893 552 V CB 1.820 33.803 31.823 0.267 0.000 0.999 552 V HN 1.018 nan 8.190 nan 0.000 0.426 553 D N 2.437 122.939 120.400 0.170 0.000 2.593 553 D HA 0.359 4.995 4.640 -0.007 0.000 0.251 553 D C -1.985 174.422 176.300 0.179 0.000 1.140 553 D CA -0.248 53.844 54.000 0.152 0.000 0.855 553 D CB 1.917 42.769 40.800 0.087 0.000 1.267 553 D HN 0.538 nan 8.370 nan 0.000 0.532 554 Y N 3.580 123.912 120.300 0.054 0.000 2.373 554 Y HA 0.400 4.946 4.550 -0.007 0.000 0.336 554 Y C -1.123 174.792 175.900 0.025 0.000 0.979 554 Y CA -0.883 57.232 58.100 0.025 0.000 1.080 554 Y CB 1.299 39.797 38.460 0.064 0.000 1.190 554 Y HN 0.403 nan 8.280 nan 0.000 0.446 555 R N 5.812 126.145 120.500 -0.278 0.000 2.538 555 R HA 0.718 5.054 4.340 -0.007 0.000 0.292 555 R C -2.337 173.810 176.300 -0.254 0.000 1.008 555 R CA -0.805 55.205 56.100 -0.150 0.000 0.896 555 R CB 1.813 32.075 30.300 -0.063 0.000 1.187 555 R HN 0.552 nan 8.270 nan 0.000 0.440 556 V N 3.340 123.189 119.914 -0.109 0.000 2.487 556 V HA 0.663 4.779 4.120 -0.007 0.000 0.298 556 V C -1.332 174.788 176.094 0.044 0.000 1.028 556 V CA 0.041 62.315 62.300 -0.043 0.000 0.860 556 V CB 1.943 33.771 31.823 0.008 0.000 0.991 556 V HN 0.902 nan 8.190 nan 0.000 0.427 557 T N 4.556 119.153 114.554 0.071 0.000 2.906 557 T HA 0.940 5.286 4.350 -0.007 0.000 0.295 557 T C 0.147 174.904 174.700 0.095 0.000 1.061 557 T CA 0.517 62.659 62.100 0.070 0.000 1.000 557 T CB 1.476 70.371 68.868 0.044 0.000 1.103 557 T HN 1.801 nan 8.240 nan 0.000 0.486 558 G N 1.099 109.945 108.800 0.076 0.000 2.181 558 G HA2 -0.053 3.902 3.960 -0.007 0.000 0.098 558 G HA3 -0.053 3.902 3.960 -0.007 0.000 0.098 558 G C 0.350 175.289 174.900 0.064 0.000 1.237 558 G CA -0.241 44.903 45.100 0.073 0.000 1.238 558 G HN 0.647 nan 8.290 nan 0.000 0.468 559 L N 1.622 122.882 121.223 0.062 0.000 2.313 559 L HA 0.179 4.515 4.340 -0.007 0.000 0.214 559 L C 0.802 177.717 176.870 0.074 0.000 1.119 559 L CA 0.559 55.431 54.840 0.054 0.000 0.809 559 L CB -0.613 41.466 42.059 0.034 0.000 0.933 559 L HN 0.314 nan 8.230 nan 0.000 0.449 560 N N 0.452 119.210 118.700 0.097 0.000 2.493 560 N HA 0.250 4.985 4.740 -0.007 0.000 0.275 560 N C -2.291 173.275 175.510 0.093 0.000 1.186 560 N CA -1.488 51.629 53.050 0.112 0.000 0.978 560 N CB -0.028 38.550 38.487 0.151 0.000 1.184 560 N HN -0.182 nan 8.380 nan 0.000 0.487 561 P HA 0.012 nan 4.420 nan 0.000 0.261 561 P C -0.356 176.989 177.300 0.075 0.000 1.183 561 P CA 0.338 63.482 63.100 0.074 0.000 0.761 561 P CB -0.074 31.670 31.700 0.073 0.000 0.785 562 T N 4.603 119.196 114.554 0.065 0.000 2.777 562 T HA -0.037 4.308 4.350 -0.007 0.000 0.273 562 T C 0.676 175.416 174.700 0.067 0.000 1.016 562 T CA 0.777 62.914 62.100 0.063 0.000 1.156 562 T CB -0.519 68.379 68.868 0.051 0.000 1.019 562 T HN 0.198 nan 8.240 nan 0.000 0.503 563 I N 4.330 124.946 120.570 0.078 0.000 2.339 563 I HA 0.432 4.597 4.170 -0.007 0.000 0.290 563 I C 0.504 176.686 176.117 0.110 0.000 0.994 563 I CA -0.611 60.747 61.300 0.096 0.000 1.191 563 I CB 1.022 39.095 38.000 0.121 0.000 1.343 563 I HN 0.247 nan 8.210 nan 0.000 0.458 564 R N 5.404 125.967 120.500 0.106 0.000 2.532 564 R HA 0.452 4.787 4.340 -0.007 0.000 0.297 564 R C -1.308 175.063 176.300 0.119 0.000 0.984 564 R CA -0.663 55.501 56.100 0.107 0.000 0.884 564 R CB 2.105 32.446 30.300 0.068 0.000 1.182 564 R HN 0.488 nan 8.270 nan 0.000 0.442 565 E N 1.694 121.993 120.200 0.165 0.000 2.216 565 E HA 0.334 4.680 4.350 -0.007 0.000 0.260 565 E C -0.922 175.752 176.600 0.124 0.000 0.880 565 E CA -0.438 56.040 56.400 0.130 0.000 0.765 565 E CB 2.301 32.106 29.700 0.175 0.000 1.174 565 E HN 0.328 nan 8.360 nan 0.000 0.417 566 S N 0.172 115.916 115.700 0.072 0.000 2.472 566 S HA 0.532 4.998 4.470 -0.007 0.000 0.303 566 S C 0.787 175.423 174.600 0.059 0.000 1.099 566 S CA -0.116 58.126 58.200 0.069 0.000 1.077 566 S CB 1.569 64.799 63.200 0.051 0.000 1.031 566 S HN 0.758 nan 8.310 nan 0.000 0.487 567 G N 2.783 111.631 108.800 0.080 0.000 2.321 567 G HA2 -0.250 3.706 3.960 -0.007 0.000 0.287 567 G HA3 -0.250 3.706 3.960 -0.007 0.000 0.287 567 G C 0.057 175.013 174.900 0.092 0.000 1.018 567 G CA 0.112 45.263 45.100 0.086 0.000 0.855 567 G HN 0.581 nan 8.290 nan 0.000 0.507 568 R N -0.903 119.645 120.500 0.079 0.000 2.442 568 R HA 0.313 4.648 4.340 -0.007 0.000 0.291 568 R C -0.044 176.355 176.300 0.164 0.000 1.069 568 R CA -0.408 55.706 56.100 0.024 0.000 1.022 568 R CB 0.474 30.643 30.300 -0.217 0.000 0.976 568 R HN 0.210 nan 8.270 nan 0.000 0.443 569 F N 4.154 124.108 119.950 0.007 0.000 2.394 569 F HA 0.399 4.922 4.527 -0.007 0.000 0.340 569 F C -0.124 175.723 175.800 0.079 0.000 1.105 569 F CA -0.896 57.137 58.000 0.055 0.000 1.124 569 F CB 0.719 39.746 39.000 0.044 0.000 1.145 569 F HN 0.334 nan 8.300 nan 0.000 0.505 570 I N 8.302 128.335 120.570 -0.895 0.000 2.439 570 I HA 0.297 4.463 4.170 -0.007 0.000 0.283 570 I C -2.435 173.157 176.117 -0.875 0.000 1.023 570 I CA -1.989 58.953 61.300 -0.597 0.000 1.100 570 I CB 1.809 39.668 38.000 -0.235 0.000 1.238 570 I HN 0.397 nan 8.210 nan 0.000 0.445 571 P HA 0.205 nan 4.420 nan 0.000 0.284 571 P C -1.580 175.719 177.300 -0.001 0.000 1.258 571 P CA -0.399 62.569 63.100 -0.221 0.000 0.824 571 P CB 1.234 33.061 31.700 0.211 0.000 1.038 572 Y N 1.857 122.162 120.300 0.009 0.000 2.322 572 Y HA 0.457 5.003 4.550 -0.007 0.000 0.324 572 Y C -1.625 174.356 175.900 0.136 0.000 1.027 572 Y CA -0.693 57.417 58.100 0.016 0.000 1.179 572 Y CB 1.392 39.846 38.460 -0.010 0.000 1.136 572 Y HN 0.068 nan 8.280 nan 0.000 0.449 573 V N 5.766 125.644 119.914 -0.060 0.000 2.444 573 V HA 0.899 5.015 4.120 -0.007 0.000 0.294 573 V C -0.043 175.990 176.094 -0.102 0.000 1.022 573 V CA -0.211 62.130 62.300 0.068 0.000 0.850 573 V CB 1.485 33.391 31.823 0.138 0.000 0.992 573 V HN 0.949 nan 8.190 nan 0.000 0.426 574 G N 2.911 111.761 108.800 0.084 0.000 2.660 574 G HA2 0.867 4.823 3.960 -0.007 0.000 0.294 574 G HA3 0.867 4.823 3.960 -0.007 0.000 0.294 574 G C -1.394 173.679 174.900 0.290 0.000 1.369 574 G CA -0.246 44.887 45.100 0.055 0.000 0.912 574 G HN 1.133 nan 8.290 nan 0.000 0.479 575 A N -0.063 122.905 122.820 0.247 0.000 2.488 575 A HA 0.756 5.072 4.320 -0.007 0.000 0.298 575 A C -1.342 176.433 177.584 0.318 0.000 1.044 575 A CA -0.526 51.696 52.037 0.309 0.000 0.693 575 A CB 2.035 21.163 19.000 0.213 0.000 1.272 575 A HN 1.334 nan 8.150 nan 0.000 0.402 576 V N 2.466 122.588 119.914 0.347 0.000 2.444 576 V HA 0.376 4.491 4.120 -0.007 0.000 0.294 576 V C -1.304 174.969 176.094 0.300 0.000 1.022 576 V CA -0.451 62.035 62.300 0.310 0.000 0.850 576 V CB 1.398 33.378 31.823 0.261 0.000 0.992 576 V HN 0.811 nan 8.190 nan 0.000 0.426 577 Y N 3.818 124.208 120.300 0.151 0.000 2.342 577 Y HA 0.503 5.049 4.550 -0.007 0.000 0.338 577 Y C 0.143 176.103 175.900 0.100 0.000 0.965 577 Y CA -1.287 56.880 58.100 0.112 0.000 1.159 577 Y CB 0.869 39.386 38.460 0.095 0.000 1.157 577 Y HN 0.682 nan 8.280 nan 0.000 0.486 578 D N 6.333 126.480 120.400 -0.421 0.000 2.389 578 D HA 0.134 4.770 4.640 -0.007 0.000 0.247 578 D C 0.592 176.554 176.300 -0.565 0.000 1.128 578 D CA 0.238 54.023 54.000 -0.359 0.000 0.884 578 D CB 1.723 42.382 40.800 -0.236 0.000 1.194 578 D HN 0.700 nan 8.370 nan 0.000 0.441 579 L N 1.163 122.255 121.223 -0.218 0.000 2.588 579 L HA 0.131 4.467 4.340 -0.007 0.000 0.194 579 L C 0.609 177.460 176.870 -0.031 0.000 1.070 579 L CA 0.272 55.057 54.840 -0.091 0.000 0.852 579 L CB 0.215 42.316 42.059 0.070 0.000 1.199 579 L HN 0.316 nan 8.230 nan 0.000 0.486 580 N N -1.388 117.313 118.700 0.002 0.000 3.102 580 N HA 0.127 4.863 4.740 -0.007 0.000 0.299 580 N C -0.383 175.094 175.510 -0.054 0.000 1.482 580 N CA -0.647 52.399 53.050 -0.007 0.000 0.785 580 N CB 0.516 39.029 38.487 0.044 0.000 1.680 580 N HN -0.183 nan 8.380 nan 0.000 0.594 581 D N 0.387 120.753 120.400 -0.056 0.000 2.254 581 D HA -0.130 4.506 4.640 -0.007 0.000 0.201 581 D C 0.901 177.106 176.300 -0.158 0.000 0.998 581 D CA 1.862 55.811 54.000 -0.086 0.000 0.885 581 D CB 0.123 40.885 40.800 -0.064 0.000 0.915 581 D HN 0.482 nan 8.370 nan 0.000 0.460 582 T N -1.518 112.914 114.554 -0.204 0.000 3.071 582 T HA 0.049 4.395 4.350 -0.007 0.000 0.239 582 T C 0.304 174.660 174.700 -0.574 0.000 0.997 582 T CA 0.113 61.919 62.100 -0.489 0.000 1.134 582 T CB 0.384 68.854 68.868 -0.663 0.000 0.928 582 T HN -0.033 nan 8.240 nan 0.000 0.453 583 Y N 1.249 121.478 120.300 -0.118 0.000 2.446 583 Y HA 0.669 5.215 4.550 -0.007 0.000 0.338 583 Y C 0.139 176.014 175.900 -0.042 0.000 1.055 583 Y CA -0.920 57.138 58.100 -0.070 0.000 1.101 583 Y CB 1.735 40.183 38.460 -0.019 0.000 1.221 583 Y HN -0.052 nan 8.280 nan 0.000 0.460 584 S N 1.324 117.123 115.700 0.165 0.000 2.548 584 S HA 0.668 5.133 4.470 -0.007 0.000 0.286 584 S C -0.887 173.859 174.600 0.243 0.000 1.098 584 S CA -0.938 57.348 58.200 0.143 0.000 0.930 584 S CB 1.599 64.849 63.200 0.083 0.000 1.070 584 S HN 0.519 nan 8.310 nan 0.000 0.480 585 V N 1.128 121.204 119.914 0.270 0.000 2.837 585 V HA 0.912 5.028 4.120 -0.007 0.000 0.310 585 V C -1.052 175.267 176.094 0.375 0.000 1.059 585 V CA -0.682 61.796 62.300 0.296 0.000 1.004 585 V CB 0.760 32.710 31.823 0.212 0.000 1.045 585 V HN 0.935 nan 8.190 nan 0.000 0.465 586 Y N 0.506 120.881 120.300 0.125 0.000 2.544 586 Y HA 0.953 5.499 4.550 -0.007 0.000 0.342 586 Y C -0.577 175.375 175.900 0.087 0.000 1.062 586 Y CA -0.975 57.188 58.100 0.105 0.000 1.023 586 Y CB 1.269 39.773 38.460 0.073 0.000 1.308 586 Y HN 1.104 nan 8.280 nan 0.000 0.457 587 A N 1.992 124.852 122.820 0.065 0.000 2.435 587 A HA 0.935 5.251 4.320 -0.007 0.000 0.304 587 A C -0.980 176.637 177.584 0.055 0.000 1.064 587 A CA -0.222 51.805 52.037 -0.016 0.000 0.727 587 A CB 1.413 20.420 19.000 0.013 0.000 1.284 587 A HN 1.580 nan 8.150 nan 0.000 0.415 588 S N 0.047 115.751 115.700 0.006 0.000 2.556 588 S HA 0.690 5.156 4.470 -0.007 0.000 0.271 588 S C -1.353 173.188 174.600 -0.097 0.000 1.135 588 S CA -0.579 57.570 58.200 -0.086 0.000 0.858 588 S CB 1.283 64.370 63.200 -0.188 0.000 1.114 588 S HN 1.522 nan 8.310 nan 0.000 0.468 589 Y N 1.686 121.795 120.300 -0.317 0.000 2.338 589 Y HA 0.667 5.213 4.550 -0.007 0.000 0.333 589 Y C -0.407 175.239 175.900 -0.424 0.000 0.968 589 Y CA 0.058 57.921 58.100 -0.395 0.000 1.123 589 Y CB 1.697 39.966 38.460 -0.319 0.000 1.165 589 Y HN 1.184 nan 8.280 nan 0.000 0.452 590 T N 1.789 115.788 114.554 -0.924 0.000 2.841 590 T HA 0.638 4.983 4.350 -0.007 0.000 0.296 590 T C -1.677 172.585 174.700 -0.729 0.000 1.166 590 T CA -0.772 60.909 62.100 -0.697 0.000 1.007 590 T CB 2.339 70.951 68.868 -0.427 0.000 1.253 590 T HN 0.638 nan 8.240 nan 0.000 0.511 591 D N -0.838 119.287 120.400 -0.457 0.000 2.602 591 D HA 0.768 5.403 4.640 -0.007 0.000 0.236 591 D C -1.536 174.626 176.300 -0.230 0.000 1.209 591 D CA -0.646 53.140 54.000 -0.357 0.000 0.831 591 D CB 2.226 42.836 40.800 -0.317 0.000 1.478 591 D HN 0.861 nan 8.370 nan 0.000 0.438 592 I N 1.628 122.095 120.570 -0.172 0.000 3.021 592 I HA 0.602 4.767 4.170 -0.007 0.000 0.305 592 I C -1.766 174.342 176.117 -0.015 0.000 1.434 592 I CA -0.824 60.388 61.300 -0.147 0.000 0.969 592 I CB 1.494 39.352 38.000 -0.238 0.000 1.328 592 I HN 0.508 nan 8.210 nan 0.000 0.486 593 F N 4.417 124.243 119.950 -0.206 0.000 2.662 593 F HA 0.852 5.375 4.527 -0.007 0.000 0.312 593 F C -1.520 174.136 175.800 -0.240 0.000 1.113 593 F CA -1.054 56.826 58.000 -0.199 0.000 0.951 593 F CB 1.672 40.570 39.000 -0.170 0.000 1.344 593 F HN 0.352 nan 8.300 nan 0.000 0.462 594 M N 3.378 122.911 119.600 -0.111 0.000 2.213 594 M HA 0.621 5.096 4.480 -0.007 0.000 0.286 594 M C -3.103 173.139 176.300 -0.096 0.000 1.008 594 M CA -2.668 52.470 55.300 -0.270 0.000 0.937 594 M CB 2.174 34.643 32.600 -0.219 0.000 1.600 594 M HN 0.342 nan 8.290 nan 0.000 0.450 595 P HA 0.197 nan 4.420 nan 0.000 0.269 595 P C -1.298 175.987 177.300 -0.025 0.000 1.209 595 P CA -0.174 62.913 63.100 -0.022 0.000 0.776 595 P CB 0.511 32.231 31.700 0.033 0.000 0.876 596 Q N 1.797 121.590 119.800 -0.011 0.000 2.417 596 Q HA 0.107 4.442 4.340 -0.007 0.000 0.241 596 Q C -0.201 175.743 176.000 -0.095 0.000 1.008 596 Q CA 0.162 55.944 55.803 -0.036 0.000 0.901 596 Q CB 0.198 28.919 28.738 -0.028 0.000 1.259 596 Q HN 0.374 nan 8.270 nan 0.000 0.489 597 D N 0.366 120.622 120.400 -0.239 0.000 2.399 597 D HA -0.058 4.577 4.640 -0.007 0.000 0.241 597 D C 0.512 176.409 176.300 -0.671 0.000 1.133 597 D CA 0.225 53.819 54.000 -0.677 0.000 0.890 597 D CB 1.190 40.926 40.800 -1.774 0.000 1.201 597 D HN 0.648 nan 8.370 nan 0.000 0.432 598 S N 1.583 117.064 115.700 -0.363 0.000 2.507 598 S HA -0.130 4.336 4.470 -0.007 0.000 0.235 598 S C 1.371 175.968 174.600 -0.005 0.000 0.988 598 S CA 0.437 58.595 58.200 -0.069 0.000 0.944 598 S CB -0.348 62.918 63.200 0.109 0.000 0.762 598 S HN 0.653 nan 8.310 nan 0.000 0.526 599 W N -0.495 120.743 121.300 -0.103 0.000 3.256 599 W HA 0.426 5.082 4.660 -0.006 0.000 0.269 599 W C -0.403 176.060 176.519 -0.093 0.000 1.310 599 W CA -0.788 56.497 57.345 -0.099 0.000 1.673 599 W CB -0.589 28.789 29.460 -0.136 0.000 1.115 599 W HN 0.100 nan 8.180 nan 0.000 0.686 600 Y N 3.704 123.754 120.300 -0.416 0.000 2.736 600 Y HA 0.374 4.920 4.550 -0.006 0.000 0.339 600 Y C 0.579 176.434 175.900 -0.074 0.000 1.301 600 Y CA -1.466 56.403 58.100 -0.386 0.000 1.676 600 Y CB -0.690 37.429 38.460 -0.567 0.000 1.725 600 Y HN -0.033 nan 8.280 nan 0.000 0.466 601 R N 0.309 120.960 120.500 0.253 0.000 2.674 601 R HA 0.425 4.760 4.340 -0.007 0.000 0.266 601 R C -0.375 176.027 176.300 0.171 0.000 1.016 601 R CA -0.949 55.253 56.100 0.170 0.000 1.062 601 R CB 1.016 31.405 30.300 0.148 0.000 1.142 601 R HN 0.316 nan 8.270 nan 0.000 0.517 602 D N -0.729 119.706 120.400 0.059 0.000 2.588 602 D HA 0.106 4.742 4.640 -0.007 0.000 0.268 602 D C 0.531 176.739 176.300 -0.154 0.000 1.176 602 D CA -0.767 53.219 54.000 -0.024 0.000 1.080 602 D CB 0.223 41.005 40.800 -0.030 0.000 1.186 602 D HN 0.215 nan 8.370 nan 0.000 0.619 603 S N -1.384 114.160 115.700 -0.261 0.000 2.423 603 S HA -0.134 4.332 4.470 -0.007 0.000 0.238 603 S C 1.451 175.859 174.600 -0.319 0.000 1.028 603 S CA 1.526 59.447 58.200 -0.466 0.000 1.000 603 S CB -0.362 62.663 63.200 -0.292 0.000 0.797 603 S HN 0.483 nan 8.310 nan 0.000 0.487 604 S N 0.469 116.074 115.700 -0.158 0.000 2.559 604 S HA 0.233 4.698 4.470 -0.007 0.000 0.226 604 S C 0.277 174.852 174.600 -0.042 0.000 1.000 604 S CA -0.262 57.890 58.200 -0.081 0.000 0.948 604 S CB 0.087 63.258 63.200 -0.049 0.000 0.870 604 S HN 0.599 nan 8.310 nan 0.000 0.497 605 N N 2.066 120.741 118.700 -0.042 0.000 2.726 605 N HA -0.171 4.565 4.740 -0.007 0.000 0.253 605 N C -1.037 174.487 175.510 0.023 0.000 1.059 605 N CA 0.745 53.802 53.050 0.012 0.000 0.701 605 N CB -1.082 37.423 38.487 0.029 0.000 0.899 605 N HN 0.380 nan 8.380 nan 0.000 0.548 606 K N 0.606 121.017 120.400 0.019 0.000 2.482 606 K HA 0.404 4.720 4.320 -0.007 0.000 0.251 606 K C -0.680 175.939 176.600 0.032 0.000 0.936 606 K CA -0.946 55.354 56.287 0.022 0.000 0.791 606 K CB 1.635 34.139 32.500 0.007 0.000 1.213 606 K HN 0.165 nan 8.250 nan 0.000 0.428 607 L N 3.713 124.958 121.223 0.036 0.000 2.456 607 L HA 0.165 4.500 4.340 -0.007 0.000 0.272 607 L C -0.520 176.364 176.870 0.022 0.000 1.189 607 L CA 0.219 55.081 54.840 0.037 0.000 0.846 607 L CB 0.338 42.418 42.059 0.035 0.000 1.111 607 L HN 0.541 nan 8.230 nan 0.000 0.475 608 L N 3.941 125.176 121.223 0.019 0.000 2.453 608 L HA 0.082 4.418 4.340 -0.007 0.000 0.272 608 L C 0.713 177.575 176.870 -0.013 0.000 1.182 608 L CA -0.264 54.574 54.840 -0.003 0.000 0.858 608 L CB 0.549 42.591 42.059 -0.028 0.000 1.120 608 L HN 0.706 nan 8.230 nan 0.000 0.474 609 E N 4.181 124.370 120.200 -0.019 0.000 2.537 609 E HA -0.074 4.272 4.350 -0.007 0.000 0.269 609 E C -2.240 174.342 176.600 -0.031 0.000 1.038 609 E CA -0.523 55.860 56.400 -0.028 0.000 0.977 609 E CB 0.164 29.843 29.700 -0.034 0.000 0.973 609 E HN 0.290 nan 8.360 nan 0.000 0.456 610 P HA -0.070 nan 4.420 nan 0.000 0.265 610 P C -0.766 176.533 177.300 -0.002 0.000 1.193 610 P CA 0.122 63.224 63.100 0.003 0.000 0.765 610 P CB 0.434 32.163 31.700 0.048 0.000 0.823 611 D N 2.904 123.297 120.400 -0.012 0.000 2.451 611 D HA -0.016 4.619 4.640 -0.007 0.000 0.254 611 D C -0.207 176.093 176.300 0.000 0.000 1.204 611 D CA 0.934 54.921 54.000 -0.022 0.000 0.896 611 D CB 0.181 40.952 40.800 -0.048 0.000 1.136 611 D HN 0.320 nan 8.370 nan 0.000 0.499 612 E N 1.297 121.495 120.200 -0.005 0.000 2.340 612 E HA 0.723 5.069 4.350 -0.007 0.000 0.273 612 E C -0.841 175.738 176.600 -0.036 0.000 0.891 612 E CA -1.006 55.396 56.400 0.004 0.000 0.757 612 E CB 1.772 31.476 29.700 0.006 0.000 1.231 612 E HN 0.451 nan 8.360 nan 0.000 0.439 613 G N 1.630 110.382 108.800 -0.079 0.000 2.698 613 G HA2 0.470 4.425 3.960 -0.007 0.000 0.293 613 G HA3 0.470 4.425 3.960 -0.007 0.000 0.293 613 G C -1.713 173.106 174.900 -0.135 0.000 1.437 613 G CA -0.625 44.424 45.100 -0.085 0.000 0.852 613 G HN 0.316 nan 8.290 nan 0.000 0.499 614 Q N -0.132 119.614 119.800 -0.090 0.000 2.353 614 Q HA 0.470 4.806 4.340 -0.007 0.000 0.268 614 Q C -0.423 175.444 176.000 -0.222 0.000 1.045 614 Q CA -0.761 54.870 55.803 -0.287 0.000 0.811 614 Q CB 2.298 30.826 28.738 -0.350 0.000 1.305 614 Q HN 0.630 nan 8.270 nan 0.000 0.447 615 N N 0.954 119.433 118.700 -0.367 0.000 2.438 615 N HA 0.400 5.136 4.740 -0.007 0.000 0.282 615 N C -1.673 173.651 175.510 -0.310 0.000 1.037 615 N CA -0.253 52.676 53.050 -0.201 0.000 0.942 615 N CB 0.604 38.967 38.487 -0.207 0.000 1.136 615 N HN 0.403 nan 8.380 nan 0.000 0.481 616 Y N 1.200 121.486 120.300 -0.023 0.000 2.328 616 Y HA 0.387 4.933 4.550 -0.007 0.000 0.336 616 Y C -0.142 175.782 175.900 0.039 0.000 0.960 616 Y CA -0.751 57.358 58.100 0.016 0.000 1.134 616 Y CB 1.587 40.058 38.460 0.018 0.000 1.166 616 Y HN 0.485 nan 8.280 nan 0.000 0.464 617 E N 3.787 124.071 120.200 0.140 0.000 2.292 617 E HA 0.592 4.938 4.350 -0.007 0.000 0.272 617 E C -1.764 174.819 176.600 -0.028 0.000 0.881 617 E CA -0.662 55.790 56.400 0.087 0.000 0.754 617 E CB 2.138 31.883 29.700 0.076 0.000 1.201 617 E HN 0.691 nan 8.360 nan 0.000 0.425 618 I N 3.009 123.548 120.570 -0.052 0.000 2.608 618 I HA 0.808 4.973 4.170 -0.007 0.000 0.295 618 I C -0.606 175.302 176.117 -0.348 0.000 1.049 618 I CA -0.358 60.813 61.300 -0.213 0.000 1.063 618 I CB 1.749 39.723 38.000 -0.043 0.000 1.248 618 I HN 0.686 nan 8.210 nan 0.000 0.424 619 G N 6.548 114.954 108.800 -0.657 0.000 2.608 619 G HA2 0.467 4.422 3.960 -0.007 0.000 0.291 619 G HA3 0.467 4.422 3.960 -0.007 0.000 0.291 619 G C -2.238 172.677 174.900 0.025 0.000 1.425 619 G CA -0.579 44.319 45.100 -0.336 0.000 0.787 619 G HN 0.664 nan 8.290 nan 0.000 0.484 620 I N -0.430 120.286 120.570 0.242 0.000 2.474 620 I HA 0.757 4.922 4.170 -0.007 0.000 0.294 620 I C -0.978 175.354 176.117 0.360 0.000 1.005 620 I CA -1.007 60.472 61.300 0.298 0.000 1.113 620 I CB 1.839 39.945 38.000 0.177 0.000 1.289 620 I HN 0.394 nan 8.210 nan 0.000 0.436 621 K N 4.798 125.388 120.400 0.316 0.000 2.378 621 K HA 0.651 4.967 4.320 -0.007 0.000 0.252 621 K C -0.655 176.026 176.600 0.136 0.000 0.931 621 K CA -0.678 55.726 56.287 0.195 0.000 0.794 621 K CB 2.179 34.711 32.500 0.053 0.000 1.181 621 K HN 0.766 nan 8.250 nan 0.000 0.425 622 G N 1.310 110.141 108.800 0.051 0.000 2.420 622 G HA2 0.395 4.350 3.960 -0.007 0.000 0.331 622 G HA3 0.395 4.350 3.960 -0.007 0.000 0.331 622 G C -1.316 173.310 174.900 -0.456 0.000 1.168 622 G CA -0.270 44.602 45.100 -0.381 0.000 0.936 622 G HN 0.547 nan 8.290 nan 0.000 0.479 623 E N 0.435 120.181 120.200 -0.758 0.000 2.224 623 E HA 0.522 4.867 4.350 -0.007 0.000 0.265 623 E C -1.373 174.803 176.600 -0.707 0.000 0.878 623 E CA -0.606 55.494 56.400 -0.500 0.000 0.759 623 E CB 1.465 30.999 29.700 -0.278 0.000 1.164 623 E HN 0.476 nan 8.360 nan 0.000 0.414 624 Y N 2.295 122.531 120.300 -0.106 0.000 2.562 624 Y HA 0.393 4.938 4.550 -0.007 0.000 0.343 624 Y C 0.242 176.114 175.900 -0.047 0.000 1.025 624 Y CA -1.317 56.733 58.100 -0.084 0.000 1.082 624 Y CB 1.176 39.592 38.460 -0.074 0.000 1.264 624 Y HN 0.456 nan 8.280 nan 0.000 0.478 625 L N 1.745 123.042 121.223 0.123 0.000 3.795 625 L HA -0.287 4.048 4.340 -0.007 0.000 0.489 625 L C -0.293 176.605 176.870 0.047 0.000 1.259 625 L CA 0.822 55.707 54.840 0.074 0.000 0.765 625 L CB -1.407 40.698 42.059 0.076 0.000 1.519 625 L HN 0.862 nan 8.230 nan 0.000 0.842 626 D N 1.019 121.432 120.400 0.022 0.000 2.697 626 D HA -0.163 4.473 4.640 -0.007 0.000 0.235 626 D C 1.358 177.665 176.300 0.013 0.000 1.167 626 D CA 2.269 56.274 54.000 0.009 0.000 0.656 626 D CB -0.857 39.955 40.800 0.021 0.000 1.025 626 D HN 1.043 nan 8.370 nan 0.000 0.419 627 G N -0.013 108.790 108.800 0.005 0.000 2.179 627 G HA2 -0.443 3.513 3.960 -0.007 0.000 0.260 627 G HA3 -0.443 3.513 3.960 -0.007 0.000 0.260 627 G C 1.191 176.113 174.900 0.036 0.000 0.977 627 G CA 0.704 45.811 45.100 0.011 0.000 0.641 627 G HN 0.566 nan 8.290 nan 0.000 0.533 628 R N -1.032 119.497 120.500 0.048 0.000 2.235 628 R HA 0.351 4.687 4.340 -0.007 0.000 0.213 628 R C 0.689 177.024 176.300 0.058 0.000 1.059 628 R CA 1.118 57.249 56.100 0.052 0.000 0.997 628 R CB 0.052 30.381 30.300 0.047 0.000 0.884 628 R HN 0.476 nan 8.270 nan 0.000 0.462 629 L N 0.149 121.426 121.223 0.091 0.000 2.470 629 L HA 0.382 4.718 4.340 -0.007 0.000 0.268 629 L C -1.756 175.239 176.870 0.208 0.000 0.964 629 L CA -0.540 54.369 54.840 0.115 0.000 0.839 629 L CB 2.133 44.231 42.059 0.064 0.000 1.276 629 L HN -0.140 nan 8.230 nan 0.000 0.403 630 N N 1.610 120.400 118.700 0.151 0.000 2.321 630 N HA 0.811 5.547 4.740 -0.007 0.000 0.299 630 N C -1.178 174.441 175.510 0.181 0.000 1.048 630 N CA -0.481 52.655 53.050 0.144 0.000 0.836 630 N CB 2.019 40.546 38.487 0.067 0.000 1.269 630 N HN 0.722 nan 8.380 nan 0.000 0.486 631 T N -1.661 113.038 114.554 0.241 0.000 2.908 631 T HA 0.831 5.176 4.350 -0.007 0.000 0.290 631 T C -0.570 174.244 174.700 0.191 0.000 1.034 631 T CA -0.854 61.383 62.100 0.228 0.000 1.010 631 T CB 1.438 70.505 68.868 0.331 0.000 1.068 631 T HN 0.406 nan 8.240 nan 0.000 0.481 632 S N 1.397 117.207 115.700 0.183 0.000 2.536 632 S HA 0.694 5.160 4.470 -0.007 0.000 0.271 632 S C -1.682 173.050 174.600 0.219 0.000 1.134 632 S CA -0.970 57.350 58.200 0.200 0.000 0.897 632 S CB 1.760 65.052 63.200 0.153 0.000 1.094 632 S HN 1.030 nan 8.310 nan 0.000 0.473 633 L N 2.310 123.682 121.223 0.248 0.000 2.441 633 L HA 0.915 5.250 4.340 -0.007 0.000 0.270 633 L C -0.689 176.342 176.870 0.268 0.000 0.973 633 L CA -0.392 54.591 54.840 0.238 0.000 0.842 633 L CB 1.187 43.352 42.059 0.176 0.000 1.239 633 L HN 1.225 nan 8.230 nan 0.000 0.406 634 A N 4.249 127.255 122.820 0.311 0.000 2.386 634 A HA 0.677 4.993 4.320 -0.007 0.000 0.311 634 A C -2.048 175.766 177.584 0.383 0.000 1.068 634 A CA -0.483 51.745 52.037 0.319 0.000 0.743 634 A CB 1.082 20.303 19.000 0.369 0.000 1.258 634 A HN 0.696 nan 8.150 nan 0.000 0.429 635 Y N 2.350 122.751 120.300 0.168 0.000 2.360 635 Y HA 0.688 5.233 4.550 -0.007 0.000 0.337 635 Y C -1.007 174.993 175.900 0.167 0.000 1.039 635 Y CA -1.276 56.899 58.100 0.123 0.000 1.109 635 Y CB 1.207 39.685 38.460 0.030 0.000 1.201 635 Y HN 0.749 nan 8.280 nan 0.000 0.458 636 F N 2.287 121.852 119.950 -0.641 0.000 2.613 636 F HA 0.710 5.233 4.527 -0.007 0.000 0.310 636 F C -1.620 173.893 175.800 -0.480 0.000 1.085 636 F CA -1.198 56.559 58.000 -0.405 0.000 0.945 636 F CB 1.851 40.756 39.000 -0.158 0.000 1.298 636 F HN 0.454 nan 8.300 nan 0.000 0.455 637 E N 3.124 123.361 120.200 0.061 0.000 2.265 637 E HA 0.492 4.838 4.350 -0.007 0.000 0.262 637 E C -1.521 175.308 176.600 0.383 0.000 0.889 637 E CA -0.592 55.896 56.400 0.146 0.000 0.789 637 E CB 1.956 31.739 29.700 0.139 0.000 1.221 637 E HN 0.728 nan 8.360 nan 0.000 0.414 638 I N 4.062 124.857 120.570 0.375 0.000 2.325 638 I HA 0.202 4.367 4.170 -0.007 0.000 0.291 638 I C -0.109 176.272 176.117 0.441 0.000 1.019 638 I CA -0.362 61.142 61.300 0.341 0.000 1.302 638 I CB 0.702 38.857 38.000 0.258 0.000 1.401 638 I HN 0.423 nan 8.210 nan 0.000 0.485 639 H N 5.988 125.175 119.070 0.194 0.000 2.623 639 H HA 0.269 4.821 4.556 -0.007 0.000 0.299 639 H C -0.540 174.851 175.328 0.106 0.000 1.052 639 H CA -0.578 55.569 56.048 0.164 0.000 1.231 639 H CB 1.473 31.363 29.762 0.213 0.000 1.389 639 H HN 0.579 nan 8.280 nan 0.000 0.469 640 E N 3.717 124.034 120.200 0.195 0.000 2.277 640 E HA 0.087 4.432 4.350 -0.007 0.000 0.274 640 E C -0.509 176.149 176.600 0.096 0.000 1.022 640 E CA -0.708 55.768 56.400 0.126 0.000 0.853 640 E CB 0.930 30.744 29.700 0.191 0.000 1.086 640 E HN 0.669 nan 8.360 nan 0.000 0.397 641 E N 3.519 123.756 120.200 0.061 0.000 2.383 641 E HA 0.217 4.562 4.350 -0.007 0.000 0.275 641 E C -0.783 175.825 176.600 0.014 0.000 0.918 641 E CA -0.928 55.497 56.400 0.041 0.000 0.764 641 E CB 0.899 30.629 29.700 0.049 0.000 1.252 641 E HN 0.637 nan 8.360 nan 0.000 0.449 642 N N 0.866 119.566 118.700 0.001 0.000 2.738 642 N HA -0.214 4.521 4.740 -0.007 0.000 0.249 642 N C -0.394 175.093 175.510 -0.040 0.000 1.047 642 N CA 0.937 53.974 53.050 -0.022 0.000 0.707 642 N CB -1.096 37.374 38.487 -0.029 0.000 0.937 642 N HN 0.658 nan 8.380 nan 0.000 0.545 643 R N 0.600 121.086 120.500 -0.023 0.000 2.296 643 R HA 0.442 4.778 4.340 -0.007 0.000 0.323 643 R C 0.388 176.631 176.300 -0.094 0.000 1.067 643 R CA -0.075 56.003 56.100 -0.037 0.000 0.946 643 R CB 0.442 30.754 30.300 0.021 0.000 0.991 643 R HN 0.218 nan 8.270 nan 0.000 0.448 644 A N 4.322 127.010 122.820 -0.221 0.000 2.540 644 A HA 0.065 4.380 4.320 -0.007 0.000 0.239 644 A C -0.167 177.331 177.584 -0.144 0.000 1.061 644 A CA 0.399 52.230 52.037 -0.343 0.000 0.758 644 A CB 0.315 18.690 19.000 -1.041 0.000 0.991 644 A HN 0.881 nan 8.150 nan 0.000 0.502 645 E N 0.629 120.848 120.200 0.033 0.000 2.366 645 E HA 0.105 4.451 4.350 -0.007 0.000 0.278 645 E C 0.494 177.201 176.600 0.179 0.000 0.923 645 E CA -0.552 55.920 56.400 0.120 0.000 0.761 645 E CB 1.486 31.208 29.700 0.037 0.000 1.231 645 E HN 0.867 nan 8.360 nan 0.000 0.443 646 E N 1.707 121.965 120.200 0.097 0.000 2.108 646 E HA -0.285 4.061 4.350 -0.007 0.000 0.203 646 E C -0.364 176.013 176.600 -0.372 0.000 1.022 646 E CA 1.969 58.247 56.400 -0.204 0.000 0.823 646 E CB 0.031 29.696 29.700 -0.058 0.000 0.744 646 E HN 0.634 nan 8.360 nan 0.000 0.456 647 D N -1.728 118.570 120.400 -0.169 0.000 3.061 647 D HA -0.157 4.478 4.640 -0.007 0.000 0.252 647 D C 0.253 176.478 176.300 -0.126 0.000 1.080 647 D CA 0.754 54.673 54.000 -0.136 0.000 0.871 647 D CB -1.173 39.546 40.800 -0.134 0.000 1.018 647 D HN 0.319 nan 8.370 nan 0.000 0.425 648 A N 1.738 124.511 122.820 -0.079 0.000 1.930 648 A HA -0.057 4.258 4.320 -0.007 0.000 0.217 648 A C 2.551 180.115 177.584 -0.034 0.000 1.175 648 A CA 1.305 53.309 52.037 -0.055 0.000 0.627 648 A CB -0.253 18.729 19.000 -0.031 0.000 0.815 648 A HN 0.535 nan 8.150 nan 0.000 0.443 649 L N -2.128 119.089 121.223 -0.011 0.000 2.083 649 L HA -0.185 4.150 4.340 -0.007 0.000 0.209 649 L C 2.573 179.454 176.870 0.019 0.000 1.083 649 L CA 1.692 56.533 54.840 0.003 0.000 0.752 649 L CB -0.546 41.521 42.059 0.013 0.000 0.899 649 L HN 0.609 nan 8.230 nan 0.000 0.433 650 Y N 1.330 121.588 120.300 -0.071 0.000 2.130 650 Y HA -0.194 4.352 4.550 -0.008 0.000 0.287 650 Y C 2.423 178.280 175.900 -0.071 0.000 1.124 650 Y CA 1.522 59.581 58.100 -0.068 0.000 1.118 650 Y CB -0.289 38.119 38.460 -0.086 0.000 0.994 650 Y HN 0.172 nan 8.280 nan 0.000 0.497 651 N N -0.089 118.542 118.700 -0.115 0.000 2.417 651 N HA -0.171 4.564 4.740 -0.007 0.000 0.187 651 N C 1.706 177.139 175.510 -0.129 0.000 1.027 651 N CA 1.423 54.378 53.050 -0.159 0.000 0.891 651 N CB -0.487 37.899 38.487 -0.169 0.000 0.956 651 N HN 0.274 nan 8.380 nan 0.000 0.442 652 S N -0.265 115.359 115.700 -0.126 0.000 2.555 652 S HA 0.020 4.486 4.470 -0.007 0.000 0.230 652 S C 0.530 175.061 174.600 -0.114 0.000 0.978 652 S CA 0.380 58.527 58.200 -0.088 0.000 0.934 652 S CB 0.136 63.300 63.200 -0.060 0.000 0.766 652 S HN 0.383 nan 8.310 nan 0.000 0.533 653 K N 0.874 121.153 120.400 -0.202 0.000 2.132 653 K HA 0.130 4.446 4.320 -0.007 0.000 0.377 653 K C -3.441 172.947 176.600 -0.353 0.000 1.694 653 K CA -0.650 55.520 56.287 -0.195 0.000 1.105 653 K CB 0.462 32.892 32.500 -0.117 0.000 1.396 653 K HN -0.126 nan 8.250 nan 0.000 0.463 654 P HA 0.267 nan 4.420 nan 0.000 0.274 654 P C -0.396 176.749 177.300 -0.259 0.000 1.237 654 P CA -0.271 62.389 63.100 -0.732 0.000 0.793 654 P CB 1.154 32.625 31.700 -0.383 0.000 0.977 655 T N -1.798 112.749 114.554 -0.012 0.000 3.191 655 T HA 0.097 4.442 4.350 -0.007 0.000 0.285 655 T C 0.103 174.922 174.700 0.198 0.000 0.887 655 T CA 0.013 62.180 62.100 0.112 0.000 0.881 655 T CB -0.180 68.756 68.868 0.114 0.000 1.217 655 T HN 0.289 nan 8.240 nan 0.000 0.591 656 N N 2.507 121.404 118.700 0.327 0.000 2.425 656 N HA 0.328 5.063 4.740 -0.007 0.000 0.268 656 N C -2.199 173.416 175.510 0.175 0.000 0.991 656 N CA -2.258 50.913 53.050 0.201 0.000 0.931 656 N CB 2.092 40.665 38.487 0.143 0.000 1.130 656 N HN -0.136 nan 8.380 nan 0.000 0.493 657 P HA -0.066 nan 4.420 nan 0.000 0.218 657 P C 0.787 178.145 177.300 0.097 0.000 1.148 657 P CA 1.023 64.178 63.100 0.091 0.000 0.822 657 P CB 0.238 31.977 31.700 0.066 0.000 0.784 658 A N -0.625 122.249 122.820 0.091 0.000 1.865 658 A HA -0.111 4.204 4.320 -0.007 0.000 0.217 658 A C 1.105 178.754 177.584 0.108 0.000 1.191 658 A CA 1.514 53.601 52.037 0.083 0.000 0.623 658 A CB -1.373 17.664 19.000 0.062 0.000 0.826 658 A HN 0.218 nan 8.150 nan 0.000 0.444 659 I N -4.342 116.310 120.570 0.136 0.000 2.693 659 I HA 0.537 4.703 4.170 -0.007 0.000 0.303 659 I C 0.853 177.137 176.117 0.279 0.000 1.025 659 I CA -0.140 61.270 61.300 0.182 0.000 1.086 659 I CB 1.932 40.016 38.000 0.140 0.000 1.268 659 I HN -0.048 nan 8.210 nan 0.000 0.440 660 T N 1.179 115.901 114.554 0.280 0.000 2.978 660 T HA 0.213 4.558 4.350 -0.007 0.000 0.248 660 T C -0.818 174.099 174.700 0.363 0.000 1.018 660 T CA 0.581 62.835 62.100 0.257 0.000 1.026 660 T CB 0.091 69.060 68.868 0.169 0.000 1.032 660 T HN 0.532 nan 8.240 nan 0.000 0.485 661 Y N 1.857 122.292 120.300 0.225 0.000 2.484 661 Y HA 0.652 5.198 4.550 -0.006 0.000 0.348 661 Y C -0.279 175.721 175.900 0.166 0.000 1.103 661 Y CA -1.450 56.756 58.100 0.175 0.000 1.317 661 Y CB 0.270 38.796 38.460 0.110 0.000 1.096 661 Y HN 0.195 nan 8.280 nan 0.000 0.568 662 A N 3.437 126.263 122.820 0.010 0.000 2.366 662 A HA 0.532 4.848 4.320 -0.007 0.000 0.249 662 A C -1.353 176.006 177.584 -0.374 0.000 1.084 662 A CA 0.215 52.195 52.037 -0.094 0.000 0.794 662 A CB 0.297 19.132 19.000 -0.274 0.000 1.034 662 A HN 0.692 nan 8.150 nan 0.000 0.491 663 Y N -0.330 119.953 120.300 -0.029 0.000 2.675 663 Y HA 0.670 5.215 4.550 -0.008 0.000 0.328 663 Y C 0.325 176.190 175.900 -0.059 0.000 1.092 663 Y CA -0.650 57.433 58.100 -0.029 0.000 1.190 663 Y CB 1.722 40.220 38.460 0.064 0.000 1.350 663 Y HN 0.676 nan 8.280 nan 0.000 0.525 664 K N -0.141 120.321 120.400 0.104 0.000 2.482 664 K HA 0.633 4.949 4.320 -0.007 0.000 0.251 664 K C -0.917 175.690 176.600 0.011 0.000 0.936 664 K CA -0.638 55.661 56.287 0.019 0.000 0.791 664 K CB 1.539 34.034 32.500 -0.008 0.000 1.213 664 K HN 0.876 nan 8.250 nan 0.000 0.428 665 G N 5.714 114.509 108.800 -0.009 0.000 2.475 665 G HA2 0.448 4.404 3.960 -0.007 0.000 0.322 665 G HA3 0.448 4.404 3.960 -0.007 0.000 0.322 665 G C -0.113 174.778 174.900 -0.016 0.000 1.044 665 G CA -0.599 44.486 45.100 -0.025 0.000 1.047 665 G HN 0.638 nan 8.290 nan 0.000 0.436 666 I N -1.473 119.088 120.570 -0.015 0.000 2.982 666 I HA 0.689 4.854 4.170 -0.007 0.000 0.312 666 I C -0.288 175.831 176.117 0.004 0.000 1.041 666 I CA -1.449 59.848 61.300 -0.006 0.000 1.053 666 I CB 2.159 40.155 38.000 -0.006 0.000 1.248 666 I HN 0.050 nan 8.210 nan 0.000 0.471 667 K N 1.937 122.341 120.400 0.007 0.000 2.118 667 K HA 0.779 5.095 4.320 -0.007 0.000 0.267 667 K C -0.715 175.893 176.600 0.013 0.000 0.991 667 K CA -0.609 55.688 56.287 0.017 0.000 0.916 667 K CB 1.785 34.290 32.500 0.010 0.000 1.041 667 K HN 0.832 nan 8.250 nan 0.000 0.455 668 A N 2.237 125.077 122.820 0.033 0.000 2.556 668 A HA 0.572 4.887 4.320 -0.007 0.000 0.294 668 A C -1.507 176.094 177.584 0.028 0.000 1.091 668 A CA -0.726 51.325 52.037 0.024 0.000 0.704 668 A CB 1.618 20.645 19.000 0.045 0.000 1.300 668 A HN 0.642 nan 8.150 nan 0.000 0.406 669 K N 0.132 120.526 120.400 -0.010 0.000 2.371 669 K HA 0.687 5.003 4.320 -0.007 0.000 0.251 669 K C -1.308 175.312 176.600 0.035 0.000 0.934 669 K CA -0.284 55.985 56.287 -0.030 0.000 0.798 669 K CB 2.111 34.518 32.500 -0.154 0.000 1.204 669 K HN 0.680 nan 8.250 nan 0.000 0.427 670 T N 3.365 117.991 114.554 0.120 0.000 2.797 670 T HA 0.389 4.734 4.350 -0.007 0.000 0.279 670 T C -1.044 173.678 174.700 0.037 0.000 0.991 670 T CA -0.727 61.432 62.100 0.098 0.000 0.979 670 T CB 1.026 70.037 68.868 0.237 0.000 0.943 670 T HN 0.384 nan 8.240 nan 0.000 0.444 671 K N 1.631 121.992 120.400 -0.065 0.000 2.259 671 K HA 0.790 5.106 4.320 -0.007 0.000 0.252 671 K C -0.178 176.216 176.600 -0.343 0.000 0.936 671 K CA -0.987 55.197 56.287 -0.172 0.000 0.810 671 K CB 2.373 34.876 32.500 0.006 0.000 1.143 671 K HN 0.814 nan 8.250 nan 0.000 0.427 672 G N 1.511 109.843 108.800 -0.779 0.000 2.489 672 G HA2 0.413 4.368 3.960 -0.007 0.000 0.291 672 G HA3 0.413 4.368 3.960 -0.007 0.000 0.291 672 G C -2.151 172.124 174.900 -1.041 0.000 1.487 672 G CA -0.847 43.741 45.100 -0.852 0.000 0.795 672 G HN 0.541 nan 8.290 nan 0.000 0.513 673 Y N -1.353 118.809 120.300 -0.230 0.000 2.581 673 Y HA 0.896 5.442 4.550 -0.007 0.000 0.345 673 Y C -0.584 175.519 175.900 0.338 0.000 1.036 673 Y CA -1.411 56.739 58.100 0.083 0.000 1.042 673 Y CB 2.312 40.916 38.460 0.241 0.000 1.289 673 Y HN 0.709 nan 8.280 nan 0.000 0.471 674 E N 1.300 121.828 120.200 0.547 0.000 2.321 674 E HA 0.771 5.117 4.350 -0.007 0.000 0.278 674 E C -1.927 174.896 176.600 0.372 0.000 0.902 674 E CA -1.031 55.613 56.400 0.407 0.000 0.758 674 E CB 2.081 31.969 29.700 0.314 0.000 1.213 674 E HN 1.074 nan 8.360 nan 0.000 0.426 675 A N 3.818 126.842 122.820 0.340 0.000 2.414 675 A HA 0.758 5.073 4.320 -0.007 0.000 0.306 675 A C -1.192 176.515 177.584 0.205 0.000 1.054 675 A CA -0.611 51.584 52.037 0.264 0.000 0.724 675 A CB 1.311 20.460 19.000 0.249 0.000 1.267 675 A HN 0.653 nan 8.150 nan 0.000 0.418 676 E N 0.884 121.180 120.200 0.161 0.000 2.430 676 E HA 0.733 5.078 4.350 -0.007 0.000 0.279 676 E C -1.555 175.107 176.600 0.103 0.000 1.003 676 E CA -0.675 55.797 56.400 0.120 0.000 0.801 676 E CB 2.195 31.952 29.700 0.096 0.000 1.313 676 E HN 0.594 nan 8.360 nan 0.000 0.459 677 I N 0.923 121.539 120.570 0.077 0.000 2.752 677 I HA 0.483 4.649 4.170 -0.007 0.000 0.295 677 I C -1.859 174.290 176.117 0.054 0.000 1.219 677 I CA -0.222 61.112 61.300 0.056 0.000 1.030 677 I CB 2.011 40.016 38.000 0.009 0.000 1.259 677 I HN 0.820 nan 8.210 nan 0.000 0.423 678 S N 4.611 120.345 115.700 0.057 0.000 2.535 678 S HA 0.980 5.445 4.470 -0.007 0.000 0.272 678 S C -0.472 174.166 174.600 0.063 0.000 1.149 678 S CA 0.001 58.248 58.200 0.079 0.000 0.888 678 S CB 1.583 64.845 63.200 0.102 0.000 1.110 678 S HN 1.738 nan 8.310 nan 0.000 0.463 679 G N 1.508 110.343 108.800 0.058 0.000 2.295 679 G HA2 0.097 4.052 3.960 -0.007 0.000 0.195 679 G HA3 0.097 4.052 3.960 -0.007 0.000 0.195 679 G C -1.255 173.614 174.900 -0.052 0.000 1.269 679 G CA -0.334 44.779 45.100 0.022 0.000 1.170 679 G HN 1.035 nan 8.290 nan 0.000 0.511 680 E N 0.313 120.488 120.200 -0.042 0.000 2.167 680 E HA 0.557 4.903 4.350 -0.007 0.000 0.284 680 E C 1.051 177.592 176.600 -0.097 0.000 1.016 680 E CA -0.552 55.817 56.400 -0.053 0.000 0.817 680 E CB 0.789 30.487 29.700 -0.003 0.000 1.080 680 E HN 0.401 nan 8.360 nan 0.000 0.397 681 L N 3.131 124.252 121.223 -0.169 0.000 2.249 681 L HA 0.300 4.635 4.340 -0.007 0.000 0.207 681 L C 0.701 177.579 176.870 0.014 0.000 1.090 681 L CA 0.429 55.134 54.840 -0.224 0.000 0.802 681 L CB 0.188 41.849 42.059 -0.663 0.000 0.947 681 L HN 0.531 nan 8.230 nan 0.000 0.453 682 A N -1.965 120.965 122.820 0.183 0.000 2.564 682 A HA 0.489 4.804 4.320 -0.007 0.000 0.291 682 A C -2.317 175.383 177.584 0.193 0.000 1.102 682 A CA -0.822 51.346 52.037 0.219 0.000 0.660 682 A CB 0.244 19.441 19.000 0.329 0.000 1.283 682 A HN -0.245 nan 8.150 nan 0.000 0.430 683 P HA -0.165 nan 4.420 nan 0.000 0.214 683 P C 1.330 178.653 177.300 0.038 0.000 1.172 683 P CA 2.664 65.804 63.100 0.067 0.000 0.925 683 P CB 0.151 31.876 31.700 0.042 0.000 0.793 684 G N -3.501 105.297 108.800 -0.003 0.000 3.327 684 G HA2 0.005 3.960 3.960 -0.007 0.000 0.240 684 G HA3 0.005 3.960 3.960 -0.007 0.000 0.240 684 G C -0.812 174.080 174.900 -0.013 0.000 1.222 684 G CA -0.156 44.841 45.100 -0.172 0.000 0.871 684 G HN 0.162 nan 8.290 nan 0.000 0.525 685 W N 1.283 122.561 121.300 -0.037 0.000 2.499 685 W HA 0.554 5.209 4.660 -0.008 0.000 0.320 685 W C -0.935 175.555 176.519 -0.049 0.000 1.010 685 W CA -1.536 55.840 57.345 0.053 0.000 1.267 685 W CB 1.273 30.814 29.460 0.136 0.000 1.316 685 W HN -0.121 nan 8.180 nan 0.000 0.431 686 Q N 4.164 123.999 119.800 0.058 0.000 2.312 686 Q HA 0.657 4.992 4.340 -0.007 0.000 0.263 686 Q C -0.443 175.419 176.000 -0.229 0.000 0.995 686 Q CA -0.663 54.978 55.803 -0.270 0.000 0.853 686 Q CB 2.626 30.931 28.738 -0.720 0.000 1.300 686 Q HN 0.409 nan 8.270 nan 0.000 0.448 687 V N -0.528 119.302 119.914 -0.140 0.000 3.078 687 V HA 0.688 4.803 4.120 -0.007 0.000 0.311 687 V C -0.943 175.291 176.094 0.234 0.000 1.138 687 V CA -1.028 61.315 62.300 0.072 0.000 1.007 687 V CB 2.291 34.064 31.823 -0.084 0.000 1.045 687 V HN 0.748 nan 8.190 nan 0.000 0.432 688 Q N 1.018 120.998 119.800 0.301 0.000 2.323 688 Q HA 0.851 5.187 4.340 -0.007 0.000 0.271 688 Q C -1.026 175.052 176.000 0.130 0.000 1.048 688 Q CA -0.336 55.584 55.803 0.195 0.000 0.792 688 Q CB 2.186 31.038 28.738 0.191 0.000 1.280 688 Q HN 1.570 nan 8.270 nan 0.000 0.441 689 A N 1.945 124.814 122.820 0.082 0.000 2.606 689 A HA 0.958 5.274 4.320 -0.007 0.000 0.293 689 A C -1.124 176.503 177.584 0.071 0.000 1.082 689 A CA -0.070 52.001 52.037 0.057 0.000 0.685 689 A CB 1.944 20.962 19.000 0.029 0.000 1.284 689 A HN 0.824 nan 8.150 nan 0.000 0.408 690 G N -1.034 107.815 108.800 0.082 0.000 2.698 690 G HA2 0.591 4.547 3.960 -0.007 0.000 0.293 690 G HA3 0.591 4.547 3.960 -0.007 0.000 0.293 690 G C -2.212 172.791 174.900 0.171 0.000 1.437 690 G CA -0.380 44.785 45.100 0.109 0.000 0.852 690 G HN 1.428 nan 8.290 nan 0.000 0.499 691 Y N 0.782 121.120 120.300 0.064 0.000 2.361 691 Y HA 0.636 5.181 4.550 -0.007 0.000 0.328 691 Y C -0.567 175.377 175.900 0.073 0.000 1.044 691 Y CA -0.470 57.674 58.100 0.073 0.000 1.085 691 Y CB 2.241 40.763 38.460 0.103 0.000 1.194 691 Y HN 0.579 nan 8.280 nan 0.000 0.438 692 T N 5.009 119.301 114.554 -0.438 0.000 2.824 692 T HA 0.239 4.584 4.350 -0.007 0.000 0.282 692 T C -1.724 172.689 174.700 -0.479 0.000 0.993 692 T CA -0.538 61.389 62.100 -0.288 0.000 0.967 692 T CB 0.784 69.552 68.868 -0.166 0.000 0.960 692 T HN 0.628 nan 8.240 nan 0.000 0.441 693 H N 2.525 121.285 119.070 -0.517 0.000 2.466 693 H HA 0.670 5.222 4.556 -0.007 0.000 0.338 693 H C -0.564 174.554 175.328 -0.350 0.000 1.091 693 H CA -0.664 55.065 56.048 -0.531 0.000 1.207 693 H CB 0.776 29.985 29.762 -0.921 0.000 1.466 693 H HN 0.600 nan 8.280 nan 0.000 0.493 694 K N 3.916 123.825 120.400 -0.817 0.000 2.512 694 K HA 0.583 4.898 4.320 -0.007 0.000 0.263 694 K C -1.958 174.298 176.600 -0.575 0.000 0.966 694 K CA -0.707 55.225 56.287 -0.593 0.000 0.851 694 K CB 1.467 33.812 32.500 -0.257 0.000 1.395 694 K HN 0.502 nan 8.250 nan 0.000 0.440 695 I N 2.480 122.841 120.570 -0.347 0.000 2.548 695 I HA 0.407 4.573 4.170 -0.007 0.000 0.287 695 I C -1.199 174.829 176.117 -0.149 0.000 1.103 695 I CA -0.871 60.303 61.300 -0.210 0.000 1.049 695 I CB 1.988 39.922 38.000 -0.111 0.000 1.232 695 I HN 0.725 nan 8.210 nan 0.000 0.429 696 I N 6.559 127.030 120.570 -0.166 0.000 2.354 696 I HA 0.521 4.687 4.170 -0.007 0.000 0.292 696 I C -0.651 175.396 176.117 -0.117 0.000 0.989 696 I CA -0.328 60.886 61.300 -0.144 0.000 1.188 696 I CB 0.580 38.440 38.000 -0.233 0.000 1.342 696 I HN 0.611 nan 8.210 nan 0.000 0.457 697 R N 5.096 125.551 120.500 -0.076 0.000 2.778 697 R HA 0.454 4.790 4.340 -0.007 0.000 0.277 697 R C -1.223 175.048 176.300 -0.049 0.000 0.977 697 R CA -0.806 55.261 56.100 -0.055 0.000 0.950 697 R CB 1.671 31.948 30.300 -0.037 0.000 1.165 697 R HN 0.659 nan 8.270 nan 0.000 0.474 698 D N -0.754 119.622 120.400 -0.040 0.000 2.592 698 D HA 0.102 4.737 4.640 -0.007 0.000 0.259 698 D C -0.041 176.244 176.300 -0.025 0.000 1.144 698 D CA -0.667 53.316 54.000 -0.029 0.000 1.080 698 D CB 0.561 41.346 40.800 -0.025 0.000 1.225 698 D HN 0.228 nan 8.370 nan 0.000 0.619 699 D N -1.200 119.188 120.400 -0.019 0.000 2.392 699 D HA -0.073 4.563 4.640 -0.007 0.000 0.228 699 D C 1.565 177.854 176.300 -0.018 0.000 1.003 699 D CA 0.784 54.773 54.000 -0.018 0.000 0.917 699 D CB -0.141 40.651 40.800 -0.013 0.000 0.890 699 D HN 0.390 nan 8.370 nan 0.000 0.532 700 S N -1.274 114.414 115.700 -0.020 0.000 2.496 700 S HA 0.126 4.591 4.470 -0.007 0.000 0.224 700 S C 1.858 176.447 174.600 -0.019 0.000 0.996 700 S CA 1.034 59.221 58.200 -0.021 0.000 0.927 700 S CB 0.290 63.475 63.200 -0.026 0.000 0.774 700 S HN 0.260 nan 8.310 nan 0.000 0.524 701 G N 1.823 110.612 108.800 -0.018 0.000 2.225 701 G HA2 -0.313 3.642 3.960 -0.007 0.000 0.254 701 G HA3 -0.313 3.642 3.960 -0.007 0.000 0.254 701 G C 0.027 174.923 174.900 -0.008 0.000 0.988 701 G CA 0.301 45.393 45.100 -0.014 0.000 0.625 701 G HN 0.987 nan 8.290 nan 0.000 0.527 702 K N 1.243 121.637 120.400 -0.009 0.000 2.326 702 K HA 0.525 4.841 4.320 -0.007 0.000 0.275 702 K C 0.340 176.941 176.600 0.002 0.000 1.018 702 K CA -0.428 55.861 56.287 0.004 0.000 0.962 702 K CB 1.000 33.496 32.500 -0.006 0.000 0.953 702 K HN 0.182 nan 8.250 nan 0.000 0.475 703 K N 1.306 121.726 120.400 0.033 0.000 2.440 703 K HA 0.100 4.416 4.320 -0.007 0.000 0.270 703 K C -0.455 176.116 176.600 -0.047 0.000 0.980 703 K CA -0.227 56.064 56.287 0.008 0.000 0.953 703 K CB 0.974 33.532 32.500 0.096 0.000 0.925 703 K HN 0.386 nan 8.250 nan 0.000 0.497 704 V N 0.676 120.515 119.914 -0.124 0.000 3.160 704 V HA 0.133 4.248 4.120 -0.007 0.000 0.310 704 V C -0.700 175.246 176.094 -0.247 0.000 1.181 704 V CA -0.628 61.581 62.300 -0.152 0.000 1.047 704 V CB 2.191 33.942 31.823 -0.119 0.000 1.068 704 V HN 0.954 nan 8.190 nan 0.000 0.441 705 S N 0.870 116.436 115.700 -0.224 0.000 3.631 705 S HA -0.177 4.288 4.470 -0.007 0.000 0.366 705 S C 1.081 175.404 174.600 -0.462 0.000 0.993 705 S CA 1.117 59.140 58.200 -0.295 0.000 1.167 705 S CB -1.197 61.789 63.200 -0.358 0.000 0.909 705 S HN 1.297 nan 8.310 nan 0.000 0.478 706 T N -3.043 111.225 114.554 -0.477 0.000 3.148 706 T HA 0.012 4.357 4.350 -0.007 0.000 0.253 706 T C 1.079 175.336 174.700 -0.739 0.000 1.134 706 T CA 0.297 61.868 62.100 -0.881 0.000 1.051 706 T CB -0.224 67.876 68.868 -1.280 0.000 0.959 706 T HN 0.739 nan 8.240 nan 0.000 0.525 707 W N 1.848 122.819 121.300 -0.549 0.000 2.584 707 W HA 0.226 4.882 4.660 -0.007 0.000 0.264 707 W C 0.527 176.787 176.519 -0.433 0.000 1.264 707 W CA 0.023 57.153 57.345 -0.360 0.000 1.306 707 W CB 0.159 29.537 29.460 -0.137 0.000 1.110 707 W HN 0.325 nan 8.180 nan 0.000 0.606 708 E N 2.610 122.358 120.200 -0.753 0.000 2.180 708 E HA 0.112 4.457 4.350 -0.007 0.000 0.283 708 E C -2.178 174.040 176.600 -0.638 0.000 1.061 708 E CA -2.243 53.653 56.400 -0.840 0.000 0.861 708 E CB 0.957 29.980 29.700 -1.128 0.000 1.056 708 E HN -0.181 nan 8.360 nan 0.000 0.407 709 P HA -0.030 nan 4.420 nan 0.000 0.270 709 P C -0.099 176.956 177.300 -0.408 0.000 1.223 709 P CA 0.212 63.022 63.100 -0.482 0.000 0.785 709 P CB 0.581 31.965 31.700 -0.526 0.000 0.923 710 Q N -0.163 119.456 119.800 -0.301 0.000 2.432 710 Q HA 0.045 4.381 4.340 -0.007 0.000 0.205 710 Q C -0.210 175.653 176.000 -0.228 0.000 0.945 710 Q CA 0.962 56.611 55.803 -0.257 0.000 0.924 710 Q CB 0.227 28.901 28.738 -0.106 0.000 1.016 710 Q HN 0.554 nan 8.270 nan 0.000 0.503 711 D N 0.372 120.630 120.400 -0.235 0.000 2.857 711 D HA 0.206 4.841 4.640 -0.007 0.000 0.227 711 D C -0.852 175.194 176.300 -0.422 0.000 1.192 711 D CA -0.259 53.606 54.000 -0.224 0.000 0.857 711 D CB 1.865 42.742 40.800 0.130 0.000 1.645 711 D HN 0.030 nan 8.370 nan 0.000 0.482 712 Q N 0.305 119.803 119.800 -0.504 0.000 2.435 712 Q HA 0.693 5.029 4.340 -0.007 0.000 0.282 712 Q C -1.968 173.825 176.000 -0.345 0.000 1.020 712 Q CA -1.103 54.447 55.803 -0.421 0.000 0.820 712 Q CB 2.622 31.118 28.738 -0.403 0.000 1.436 712 Q HN 0.326 nan 8.270 nan 0.000 0.395 713 L N 0.365 121.531 121.223 -0.094 0.000 2.422 713 L HA 0.802 5.138 4.340 -0.007 0.000 0.264 713 L C -1.591 175.259 176.870 -0.033 0.000 0.984 713 L CA -0.042 54.821 54.840 0.038 0.000 0.819 713 L CB 2.763 44.940 42.059 0.196 0.000 1.330 713 L HN 0.797 nan 8.230 nan 0.000 0.410 714 S N 4.373 120.062 115.700 -0.020 0.000 2.536 714 S HA 0.833 5.298 4.470 -0.007 0.000 0.287 714 S C -1.439 173.100 174.600 -0.102 0.000 1.101 714 S CA -0.518 57.635 58.200 -0.078 0.000 0.950 714 S CB 1.758 64.955 63.200 -0.004 0.000 1.056 714 S HN 0.761 nan 8.310 nan 0.000 0.481 715 L N 3.262 124.290 121.223 -0.325 0.000 2.528 715 L HA 0.577 4.913 4.340 -0.007 0.000 0.267 715 L C -2.230 174.316 176.870 -0.541 0.000 0.961 715 L CA -0.440 54.254 54.840 -0.244 0.000 0.866 715 L CB 0.867 42.863 42.059 -0.104 0.000 1.248 715 L HN 0.704 nan 8.230 nan 0.000 0.404 716 Y N 2.675 122.962 120.300 -0.023 0.000 2.446 716 Y HA 0.757 5.303 4.550 -0.007 0.000 0.345 716 Y C 0.242 176.300 175.900 0.263 0.000 0.984 716 Y CA -0.523 57.562 58.100 -0.024 0.000 1.058 716 Y CB 2.542 40.743 38.460 -0.432 0.000 1.220 716 Y HN 0.475 nan 8.280 nan 0.000 0.455 717 T N 1.747 116.653 114.554 0.586 0.000 2.889 717 T HA 0.675 5.020 4.350 -0.007 0.000 0.315 717 T C -1.350 173.739 174.700 0.649 0.000 1.291 717 T CA -0.669 61.768 62.100 0.562 0.000 1.028 717 T CB 0.870 69.967 68.868 0.381 0.000 1.235 717 T HN 0.720 nan 8.240 nan 0.000 0.491 718 S N 2.551 118.546 115.700 0.492 0.000 2.595 718 S HA 0.797 5.262 4.470 -0.007 0.000 0.281 718 S C -1.759 173.058 174.600 0.361 0.000 1.117 718 S CA -0.820 57.597 58.200 0.363 0.000 0.873 718 S CB 1.842 65.191 63.200 0.247 0.000 1.108 718 S HN 0.786 nan 8.310 nan 0.000 0.477 719 Y N 0.932 121.286 120.300 0.089 0.000 2.406 719 Y HA 0.584 5.129 4.550 -0.007 0.000 0.340 719 Y C -0.783 175.075 175.900 -0.070 0.000 0.975 719 Y CA -0.760 57.295 58.100 -0.076 0.000 1.056 719 Y CB 1.643 39.880 38.460 -0.371 0.000 1.210 719 Y HN 0.757 nan 8.280 nan 0.000 0.448 720 K N 7.197 127.168 120.400 -0.715 0.000 2.292 720 K HA 0.244 4.559 4.320 -0.007 0.000 0.270 720 K C -0.995 175.137 176.600 -0.780 0.000 1.062 720 K CA -0.316 55.683 56.287 -0.479 0.000 0.916 720 K CB 0.053 32.371 32.500 -0.302 0.000 1.166 720 K HN 0.674 nan 8.250 nan 0.000 0.458 721 F N 1.970 121.648 119.950 -0.453 0.000 2.586 721 F HA -0.013 4.510 4.527 -0.008 0.000 0.335 721 F C 1.125 176.820 175.800 -0.176 0.000 1.210 721 F CA 0.474 58.338 58.000 -0.227 0.000 1.359 721 F CB 0.391 39.392 39.000 0.002 0.000 1.142 721 F HN 0.318 nan 8.300 nan 0.000 0.606 722 K N 0.185 120.646 120.400 0.102 0.000 2.400 722 K HA 0.684 5.000 4.320 -0.007 0.000 0.246 722 K C 0.116 176.766 176.600 0.084 0.000 0.995 722 K CA 0.171 56.488 56.287 0.051 0.000 0.840 722 K CB 1.629 34.129 32.500 -0.001 0.000 1.293 722 K HN 0.743 nan 8.250 nan 0.000 0.445 723 G N 1.150 109.977 108.800 0.046 0.000 2.527 723 G HA2 -0.320 3.636 3.960 -0.007 0.000 0.268 723 G HA3 -0.320 3.636 3.960 -0.007 0.000 0.268 723 G C 0.952 175.877 174.900 0.043 0.000 1.175 723 G CA 0.850 45.975 45.100 0.042 0.000 0.962 723 G HN 1.124 nan 8.290 nan 0.000 0.560 724 A N -0.514 122.332 122.820 0.043 0.000 2.023 724 A HA 0.036 4.351 4.320 -0.007 0.000 0.223 724 A C 2.057 179.661 177.584 0.033 0.000 1.180 724 A CA 2.829 54.886 52.037 0.034 0.000 0.659 724 A CB -0.732 18.285 19.000 0.028 0.000 0.817 724 A HN 1.588 nan 8.150 nan 0.000 0.466 725 L N -1.846 119.402 121.223 0.041 0.000 3.168 725 L HA 0.345 4.680 4.340 -0.007 0.000 0.277 725 L C 0.226 177.116 176.870 0.033 0.000 1.308 725 L CA 0.241 55.090 54.840 0.015 0.000 0.976 725 L CB 0.070 42.065 42.059 -0.107 0.000 1.383 725 L HN 0.245 nan 8.230 nan 0.000 0.572 726 D N -0.546 119.859 120.400 0.007 0.000 2.348 726 D HA -0.153 4.483 4.640 -0.007 0.000 0.216 726 D C 1.538 177.781 176.300 -0.094 0.000 0.970 726 D CA 0.753 54.742 54.000 -0.017 0.000 0.889 726 D CB 0.222 41.007 40.800 -0.024 0.000 0.912 726 D HN 0.321 nan 8.370 nan 0.000 0.524 727 K N -0.769 119.512 120.400 -0.199 0.000 2.361 727 K HA 0.166 4.482 4.320 -0.007 0.000 0.196 727 K C 0.176 176.469 176.600 -0.511 0.000 1.039 727 K CA -0.216 55.814 56.287 -0.428 0.000 1.001 727 K CB 0.264 32.363 32.500 -0.668 0.000 0.795 727 K HN 0.151 nan 8.250 nan 0.000 0.495 728 L N 1.384 122.448 121.223 -0.264 0.000 2.290 728 L HA 0.179 4.514 4.340 -0.007 0.000 0.284 728 L C -0.900 176.025 176.870 0.091 0.000 1.078 728 L CA 0.453 55.272 54.840 -0.036 0.000 0.815 728 L CB 1.311 43.381 42.059 0.019 0.000 1.162 728 L HN -0.123 nan 8.230 nan 0.000 0.435 729 T N 4.691 119.298 114.554 0.088 0.000 2.786 729 T HA 0.539 4.884 4.350 -0.007 0.000 0.283 729 T C -0.547 174.251 174.700 0.164 0.000 0.992 729 T CA -0.394 61.779 62.100 0.122 0.000 0.954 729 T CB 1.442 70.331 68.868 0.035 0.000 0.934 729 T HN 0.373 nan 8.240 nan 0.000 0.440 730 V N 2.568 122.644 119.914 0.269 0.000 2.581 730 V HA 0.941 5.057 4.120 -0.007 0.000 0.303 730 V C 0.446 176.671 176.094 0.218 0.000 1.041 730 V CA -0.179 62.274 62.300 0.256 0.000 0.907 730 V CB 1.922 33.979 31.823 0.389 0.000 0.994 730 V HN 1.094 nan 8.190 nan 0.000 0.442 731 G N 1.997 110.904 108.800 0.179 0.000 2.677 731 G HA2 0.767 4.723 3.960 -0.007 0.000 0.291 731 G HA3 0.767 4.723 3.960 -0.007 0.000 0.291 731 G C -0.787 174.294 174.900 0.301 0.000 1.435 731 G CA -0.040 45.202 45.100 0.237 0.000 0.826 731 G HN 1.120 nan 8.290 nan 0.000 0.491 732 G N -1.822 107.245 108.800 0.445 0.000 2.682 732 G HA2 0.949 4.904 3.960 -0.007 0.000 0.290 732 G HA3 0.949 4.904 3.960 -0.007 0.000 0.290 732 G C -0.641 174.543 174.900 0.473 0.000 1.425 732 G CA 0.052 45.402 45.100 0.416 0.000 0.807 732 G HN 1.650 nan 8.290 nan 0.000 0.482 733 G N -1.721 107.249 108.800 0.284 0.000 2.703 733 G HA2 0.831 4.787 3.960 -0.007 0.000 0.294 733 G HA3 0.831 4.787 3.960 -0.007 0.000 0.294 733 G C -1.261 173.521 174.900 -0.197 0.000 1.451 733 G CA 0.398 45.432 45.100 -0.110 0.000 0.869 733 G HN 1.728 nan 8.290 nan 0.000 0.516 734 A N 0.490 123.030 122.820 -0.467 0.000 2.449 734 A HA 0.932 5.248 4.320 -0.007 0.000 0.302 734 A C -0.643 176.826 177.584 -0.191 0.000 1.048 734 A CA -0.834 51.133 52.037 -0.115 0.000 0.708 734 A CB 2.245 21.344 19.000 0.165 0.000 1.274 734 A HN 1.307 nan 8.150 nan 0.000 0.410 735 R N 1.180 121.678 120.500 -0.004 0.000 2.502 735 R HA 0.573 4.908 4.340 -0.007 0.000 0.300 735 R C -1.921 174.311 176.300 -0.114 0.000 0.984 735 R CA -0.369 55.684 56.100 -0.078 0.000 0.882 735 R CB 0.726 30.976 30.300 -0.084 0.000 1.180 735 R HN 0.852 nan 8.270 nan 0.000 0.444 736 W N 5.639 126.612 121.300 -0.545 0.000 2.606 736 W HA 0.485 5.141 4.660 -0.007 0.000 0.332 736 W C -1.220 174.835 176.519 -0.774 0.000 1.052 736 W CA -0.332 56.417 57.345 -0.992 0.000 1.223 736 W CB 1.567 29.985 29.460 -1.736 0.000 1.383 736 W HN 0.754 nan 8.180 nan 0.000 0.524 737 Q N 4.330 123.051 119.800 -1.799 0.000 2.379 737 Q HA 0.725 5.061 4.340 -0.007 0.000 0.278 737 Q C -0.262 174.496 176.000 -2.070 0.000 1.068 737 Q CA -1.136 53.600 55.803 -1.779 0.000 0.816 737 Q CB 1.926 30.041 28.738 -1.037 0.000 1.387 737 Q HN 0.644 nan 8.270 nan 0.000 0.413 738 G N 1.408 109.205 108.800 -1.671 0.000 2.588 738 G HA2 0.331 4.287 3.960 -0.007 0.000 0.281 738 G HA3 0.331 4.287 3.960 -0.007 0.000 0.281 738 G C -0.723 173.923 174.900 -0.424 0.000 1.236 738 G CA -0.902 43.662 45.100 -0.893 0.000 0.969 738 G HN 0.500 nan 8.290 nan 0.000 0.504 739 K N -0.073 120.246 120.400 -0.134 0.000 2.548 739 K HA 0.180 4.496 4.320 -0.007 0.000 0.277 739 K C 0.414 177.031 176.600 0.029 0.000 1.001 739 K CA 0.668 56.968 56.287 0.023 0.000 1.102 739 K CB 0.219 32.799 32.500 0.134 0.000 0.848 739 K HN 0.586 nan 8.250 nan 0.000 0.487 740 S N 1.342 117.050 115.700 0.015 0.000 2.570 740 S HA 0.839 5.304 4.470 -0.007 0.000 0.286 740 S C -1.291 173.474 174.600 0.275 0.000 1.099 740 S CA -1.228 56.906 58.200 -0.110 0.000 0.913 740 S CB 1.184 63.950 63.200 -0.723 0.000 1.085 740 S HN 0.769 nan 8.310 nan 0.000 0.480 741 W N -0.234 121.143 121.300 0.129 0.000 3.005 741 W HA 0.769 5.425 4.660 -0.007 0.000 0.343 741 W C -2.032 174.749 176.519 0.436 0.000 1.243 741 W CA -0.780 56.771 57.345 0.343 0.000 1.186 741 W CB 0.897 30.469 29.460 0.187 0.000 1.453 741 W HN 0.620 nan 8.180 nan 0.000 0.575 742 Q N 2.177 122.333 119.800 0.593 0.000 2.315 742 Q HA 0.326 4.662 4.340 -0.007 0.000 0.273 742 Q C -0.806 175.461 176.000 0.446 0.000 1.053 742 Q CA -1.065 54.958 55.803 0.366 0.000 0.817 742 Q CB 2.608 31.434 28.738 0.147 0.000 1.326 742 Q HN 0.510 nan 8.270 nan 0.000 0.423 743 M N 2.526 122.368 119.600 0.403 0.000 2.146 743 M HA 0.317 4.792 4.480 -0.007 0.000 0.352 743 M C 0.119 176.761 176.300 0.569 0.000 1.343 743 M CA -0.310 55.276 55.300 0.476 0.000 1.115 743 M CB 0.082 32.874 32.600 0.319 0.000 1.657 743 M HN 0.470 nan 8.290 nan 0.000 0.471 744 V N 4.547 124.813 119.914 0.587 0.000 3.040 744 V HA 0.610 4.725 4.120 -0.007 0.000 0.312 744 V C -2.060 174.193 176.094 0.265 0.000 1.115 744 V CA -0.814 61.716 62.300 0.383 0.000 0.998 744 V CB 2.680 34.545 31.823 0.070 0.000 1.042 744 V HN 0.752 nan 8.190 nan 0.000 0.433 745 Y N 4.187 124.299 120.300 -0.314 0.000 2.331 745 Y HA 0.540 5.086 4.550 -0.008 0.000 0.338 745 Y C 0.178 175.828 175.900 -0.417 0.000 0.976 745 Y CA -0.494 57.144 58.100 -0.769 0.000 1.137 745 Y CB 1.298 38.965 38.460 -1.322 0.000 1.172 745 Y HN 0.878 nan 8.280 nan 0.000 0.478 746 N N 5.691 123.791 118.700 -1.000 0.000 2.521 746 N HA -0.009 4.727 4.740 -0.007 0.000 0.236 746 N C 0.515 175.389 175.510 -1.059 0.000 1.067 746 N CA 0.241 52.570 53.050 -1.200 0.000 0.939 746 N CB 0.251 37.911 38.487 -1.380 0.000 1.201 746 N HN 0.931 nan 8.380 nan 0.000 0.511 747 N N 5.003 123.327 118.700 -0.626 0.000 2.025 747 N HA -0.055 4.681 4.740 -0.007 0.000 0.194 747 N C -1.164 174.138 175.510 -0.346 0.000 1.044 747 N CA 1.352 54.202 53.050 -0.333 0.000 0.851 747 N CB -0.864 37.548 38.487 -0.126 0.000 1.036 747 N HN 0.413 nan 8.380 nan 0.000 0.422 748 P HA -0.077 nan 4.420 nan 0.000 0.222 748 P C 0.707 177.839 177.300 -0.280 0.000 1.142 748 P CA 1.414 64.345 63.100 -0.283 0.000 0.788 748 P CB 0.022 31.551 31.700 -0.285 0.000 0.767 749 R N -2.641 117.632 120.500 -0.378 0.000 2.446 749 R HA 0.243 4.578 4.340 -0.007 0.000 0.254 749 R C 0.157 176.259 176.300 -0.329 0.000 0.918 749 R CA 0.137 56.043 56.100 -0.324 0.000 1.069 749 R CB 0.308 30.399 30.300 -0.348 0.000 1.194 749 R HN -0.135 nan 8.270 nan 0.000 0.534 750 S N 1.180 116.613 115.700 -0.444 0.000 3.797 750 S HA -0.178 4.288 4.470 -0.007 0.000 0.374 750 S C -0.619 173.734 174.600 -0.412 0.000 0.970 750 S CA 1.225 59.211 58.200 -0.358 0.000 1.177 750 S CB -1.099 62.042 63.200 -0.097 0.000 0.891 750 S HN 0.619 nan 8.310 nan 0.000 0.491 751 R N -1.644 118.369 120.500 -0.811 0.000 2.643 751 R HA 0.600 4.936 4.340 -0.007 0.000 0.269 751 R C -1.330 174.683 176.300 -0.479 0.000 1.037 751 R CA -1.127 54.734 56.100 -0.397 0.000 0.894 751 R CB 0.580 30.752 30.300 -0.214 0.000 1.238 751 R HN 0.130 nan 8.270 nan 0.000 0.459 752 W N 1.688 122.950 121.300 -0.063 0.000 2.251 752 W HA 0.337 4.992 4.660 -0.007 0.000 0.329 752 W C 0.150 176.693 176.519 0.040 0.000 1.234 752 W CA 0.084 57.464 57.345 0.059 0.000 1.228 752 W CB 1.055 30.616 29.460 0.168 0.000 1.135 752 W HN 0.447 nan 8.180 nan 0.000 0.576 753 E N 1.479 121.893 120.200 0.357 0.000 2.312 753 E HA 0.278 4.623 4.350 -0.007 0.000 0.267 753 E C -1.175 175.651 176.600 0.376 0.000 0.894 753 E CA -1.437 55.135 56.400 0.286 0.000 0.773 753 E CB 2.323 32.185 29.700 0.270 0.000 1.241 753 E HN 0.226 nan 8.360 nan 0.000 0.432 754 K N 2.173 122.706 120.400 0.222 0.000 2.234 754 K HA 0.300 4.616 4.320 -0.007 0.000 0.277 754 K C -1.436 175.288 176.600 0.208 0.000 1.038 754 K CA -0.339 56.099 56.287 0.253 0.000 0.888 754 K CB 0.435 32.996 32.500 0.101 0.000 1.091 754 K HN 0.275 nan 8.250 nan 0.000 0.467 755 F N 2.313 122.383 119.950 0.200 0.000 2.411 755 F HA 0.295 4.819 4.527 -0.006 0.000 0.352 755 F C 0.061 176.015 175.800 0.257 0.000 1.123 755 F CA -0.189 57.895 58.000 0.141 0.000 1.044 755 F CB 1.950 40.964 39.000 0.023 0.000 1.135 755 F HN 0.422 nan 8.300 nan 0.000 0.461 756 S N 2.069 117.956 115.700 0.313 0.000 2.593 756 S HA 0.501 4.967 4.470 -0.007 0.000 0.297 756 S C -0.848 173.955 174.600 0.339 0.000 1.112 756 S CA -0.767 57.638 58.200 0.341 0.000 1.043 756 S CB 1.748 65.064 63.200 0.194 0.000 1.054 756 S HN 0.511 nan 8.310 nan 0.000 0.516 757 Q N 1.990 121.981 119.800 0.317 0.000 2.381 757 Q HA 0.242 4.578 4.340 -0.007 0.000 0.263 757 Q C -0.701 175.407 176.000 0.180 0.000 1.030 757 Q CA -0.301 55.659 55.803 0.261 0.000 0.772 757 Q CB 0.563 29.421 28.738 0.199 0.000 1.232 757 Q HN 0.502 nan 8.270 nan 0.000 0.476 758 E N 2.731 123.040 120.200 0.182 0.000 2.467 758 E HA -0.054 4.292 4.350 -0.007 0.000 0.264 758 E C -0.313 176.394 176.600 0.179 0.000 1.020 758 E CA 0.408 56.903 56.400 0.157 0.000 0.945 758 E CB 0.485 30.279 29.700 0.157 0.000 0.942 758 E HN 0.803 nan 8.360 nan 0.000 0.449 759 D N 2.028 122.486 120.400 0.098 0.000 2.443 759 D HA -0.060 4.576 4.640 -0.007 0.000 0.234 759 D C -0.053 176.323 176.300 0.125 0.000 1.172 759 D CA 0.556 54.516 54.000 -0.066 0.000 0.878 759 D CB 0.175 40.949 40.800 -0.043 0.000 1.204 759 D HN 0.374 nan 8.370 nan 0.000 0.453 760 Y N -3.285 116.842 120.300 -0.288 0.000 2.624 760 Y HA 0.597 5.143 4.550 -0.007 0.000 0.334 760 Y C -1.971 173.839 175.900 -0.150 0.000 1.155 760 Y CA -1.817 56.237 58.100 -0.077 0.000 1.046 760 Y CB 0.616 39.043 38.460 -0.054 0.000 1.316 760 Y HN 0.339 nan 8.280 nan 0.000 0.457 761 W N 2.490 123.876 121.300 0.142 0.000 2.570 761 W HA 0.793 5.449 4.660 -0.008 0.000 0.337 761 W C -1.228 175.349 176.519 0.096 0.000 1.067 761 W CA -0.807 56.587 57.345 0.081 0.000 1.229 761 W CB 1.866 31.398 29.460 0.119 0.000 1.355 761 W HN 0.462 nan 8.180 nan 0.000 0.555 762 L N 3.189 124.572 121.223 0.267 0.000 2.341 762 L HA 0.621 4.957 4.340 -0.007 0.000 0.278 762 L C -0.628 176.411 176.870 0.280 0.000 1.005 762 L CA -1.216 53.772 54.840 0.246 0.000 0.818 762 L CB 1.423 43.556 42.059 0.125 0.000 1.259 762 L HN 0.041 nan 8.230 nan 0.000 0.418 763 V N 1.847 121.953 119.914 0.319 0.000 2.459 763 V HA 0.434 4.549 4.120 -0.007 0.000 0.295 763 V C -0.729 175.508 176.094 0.239 0.000 1.029 763 V CA -0.629 61.844 62.300 0.288 0.000 0.874 763 V CB 2.039 34.108 31.823 0.411 0.000 0.985 763 V HN 0.616 nan 8.190 nan 0.000 0.438 764 D N 3.671 124.225 120.400 0.257 0.000 2.342 764 D HA 0.805 5.440 4.640 -0.007 0.000 0.243 764 D C -0.578 175.899 176.300 0.296 0.000 1.019 764 D CA -0.185 54.000 54.000 0.308 0.000 0.864 764 D CB 2.288 43.374 40.800 0.477 0.000 1.315 764 D HN 0.295 nan 8.370 nan 0.000 0.468 765 L N 0.900 122.266 121.223 0.239 0.000 2.409 765 L HA 0.665 5.000 4.340 -0.007 0.000 0.255 765 L C -0.865 176.089 176.870 0.140 0.000 1.027 765 L CA -0.867 54.087 54.840 0.190 0.000 0.834 765 L CB 2.457 44.571 42.059 0.092 0.000 1.426 765 L HN 0.183 nan 8.230 nan 0.000 0.411 766 M N 1.834 121.486 119.600 0.086 0.000 2.389 766 M HA 0.729 5.204 4.480 -0.007 0.000 0.291 766 M C -2.389 173.912 176.300 0.002 0.000 1.128 766 M CA -0.227 55.069 55.300 -0.007 0.000 0.942 766 M CB 2.082 34.615 32.600 -0.110 0.000 1.783 766 M HN 0.734 nan 8.290 nan 0.000 0.501 767 A N 4.321 127.130 122.820 -0.019 0.000 2.520 767 A HA 0.903 5.219 4.320 -0.007 0.000 0.298 767 A C -1.585 176.011 177.584 0.020 0.000 1.051 767 A CA -0.768 51.284 52.037 0.025 0.000 0.690 767 A CB 2.070 21.098 19.000 0.046 0.000 1.281 767 A HN 0.915 nan 8.150 nan 0.000 0.402 768 R N 0.807 121.335 120.500 0.048 0.000 2.686 768 R HA 0.629 4.964 4.340 -0.007 0.000 0.286 768 R C -2.247 174.122 176.300 0.115 0.000 0.969 768 R CA -0.511 55.622 56.100 0.056 0.000 0.898 768 R CB 1.625 31.929 30.300 0.007 0.000 1.183 768 R HN 0.799 nan 8.270 nan 0.000 0.456 769 Y N 2.360 122.661 120.300 0.001 0.000 2.326 769 Y HA 0.211 4.756 4.550 -0.008 0.000 0.329 769 Y C -0.803 175.098 175.900 0.001 0.000 0.973 769 Y CA -0.678 57.421 58.100 -0.002 0.000 1.162 769 Y CB 1.859 40.315 38.460 -0.008 0.000 1.147 769 Y HN 0.545 nan 8.280 nan 0.000 0.456 770 Q N 5.970 125.583 119.800 -0.311 0.000 2.452 770 Q HA 0.277 4.613 4.340 -0.007 0.000 0.230 770 Q C 0.109 176.013 176.000 -0.159 0.000 1.180 770 Q CA 0.468 56.166 55.803 -0.174 0.000 0.914 770 Q CB -0.036 28.592 28.738 -0.182 0.000 1.408 770 Q HN 0.906 nan 8.270 nan 0.000 0.520 771 I N 0.305 120.937 120.570 0.104 0.000 2.439 771 I HA -0.028 4.137 4.170 -0.007 0.000 0.251 771 I C 0.668 176.839 176.117 0.091 0.000 1.139 771 I CA 0.532 61.969 61.300 0.229 0.000 1.438 771 I CB 0.107 38.231 38.000 0.206 0.000 1.085 771 I HN 0.338 nan 8.210 nan 0.000 0.427 772 T N -0.514 114.065 114.554 0.041 0.000 2.903 772 T HA 0.148 4.493 4.350 -0.007 0.000 0.299 772 T C 0.152 174.863 174.700 0.018 0.000 1.093 772 T CA -0.618 61.496 62.100 0.024 0.000 1.002 772 T CB 2.253 71.129 68.868 0.014 0.000 1.127 772 T HN -0.055 nan 8.240 nan 0.000 0.488 773 D N 1.247 121.660 120.400 0.022 0.000 2.170 773 D HA -0.125 4.511 4.640 -0.007 0.000 0.193 773 D C 1.512 177.847 176.300 0.058 0.000 1.004 773 D CA 1.653 55.673 54.000 0.033 0.000 0.860 773 D CB 0.285 41.111 40.800 0.044 0.000 0.931 773 D HN 0.458 nan 8.370 nan 0.000 0.448 774 K N -1.058 119.388 120.400 0.077 0.000 2.360 774 K HA 0.231 4.547 4.320 -0.007 0.000 0.196 774 K C 0.433 177.126 176.600 0.155 0.000 1.049 774 K CA -0.160 56.215 56.287 0.148 0.000 1.049 774 K CB 1.552 34.172 32.500 0.200 0.000 0.881 774 K HN 0.049 nan 8.250 nan 0.000 0.542 775 L N 1.388 122.654 121.223 0.071 0.000 2.438 775 L HA 0.279 4.614 4.340 -0.007 0.000 0.270 775 L C -1.093 175.811 176.870 0.057 0.000 0.972 775 L CA -0.402 54.477 54.840 0.065 0.000 0.831 775 L CB 1.975 44.028 42.059 -0.009 0.000 1.273 775 L HN -0.002 nan 8.230 nan 0.000 0.405 776 S N 3.340 119.080 115.700 0.066 0.000 2.600 776 S HA 0.967 5.432 4.470 -0.007 0.000 0.300 776 S C -0.607 174.043 174.600 0.083 0.000 1.087 776 S CA -0.535 57.705 58.200 0.066 0.000 0.965 776 S CB 2.022 65.241 63.200 0.031 0.000 1.089 776 S HN 0.841 nan 8.310 nan 0.000 0.496 777 A N 1.191 124.075 122.820 0.107 0.000 2.355 777 A HA 0.897 5.213 4.320 -0.007 0.000 0.324 777 A C -0.252 177.389 177.584 0.096 0.000 1.117 777 A CA -0.736 51.366 52.037 0.108 0.000 0.785 777 A CB 1.399 20.469 19.000 0.117 0.000 1.254 777 A HN 0.872 nan 8.150 nan 0.000 0.453 778 S N -0.645 115.106 115.700 0.085 0.000 2.595 778 S HA 0.706 5.172 4.470 -0.007 0.000 0.281 778 S C -1.265 173.324 174.600 -0.019 0.000 1.117 778 S CA -0.574 57.643 58.200 0.029 0.000 0.873 778 S CB 1.819 65.013 63.200 -0.008 0.000 1.108 778 S HN 1.414 nan 8.310 nan 0.000 0.477 779 V N 2.122 121.962 119.914 -0.123 0.000 2.638 779 V HA 0.631 4.746 4.120 -0.007 0.000 0.306 779 V C -1.860 174.075 176.094 -0.264 0.000 1.052 779 V CA -0.630 61.453 62.300 -0.361 0.000 0.885 779 V CB 1.890 33.497 31.823 -0.360 0.000 0.999 779 V HN 0.927 nan 8.190 nan 0.000 0.424 780 N N 4.202 122.718 118.700 -0.307 0.000 2.399 780 N HA 0.632 5.368 4.740 -0.007 0.000 0.280 780 N C -1.084 174.322 175.510 -0.174 0.000 1.008 780 N CA -0.371 52.585 53.050 -0.157 0.000 0.894 780 N CB 2.210 40.654 38.487 -0.072 0.000 1.273 780 N HN 0.503 nan 8.380 nan 0.000 0.486 781 V N 2.212 122.069 119.914 -0.096 0.000 2.394 781 V HA 0.446 4.562 4.120 -0.007 0.000 0.282 781 V C -0.194 175.920 176.094 0.032 0.000 1.031 781 V CA -0.771 61.487 62.300 -0.068 0.000 0.881 781 V CB 0.964 32.740 31.823 -0.078 0.000 0.982 781 V HN 0.613 nan 8.190 nan 0.000 0.451 782 N N 3.721 122.449 118.700 0.046 0.000 2.362 782 N HA 0.310 5.046 4.740 -0.007 0.000 0.298 782 N C 0.031 175.618 175.510 0.128 0.000 1.048 782 N CA -0.459 52.667 53.050 0.127 0.000 0.858 782 N CB 1.352 39.928 38.487 0.147 0.000 1.218 782 N HN 0.749 nan 8.380 nan 0.000 0.488 783 N N 1.086 119.892 118.700 0.177 0.000 2.671 783 N HA -0.154 4.582 4.740 -0.007 0.000 0.261 783 N C 0.600 176.175 175.510 0.109 0.000 1.053 783 N CA 0.176 53.340 53.050 0.191 0.000 0.732 783 N CB -0.992 37.633 38.487 0.230 0.000 0.887 783 N HN 0.362 nan 8.380 nan 0.000 0.546 784 V N 0.183 120.118 119.914 0.034 0.000 2.324 784 V HA -0.254 3.862 4.120 -0.007 0.000 0.250 784 V C 1.730 177.613 176.094 -0.351 0.000 1.060 784 V CA 2.303 64.470 62.300 -0.222 0.000 1.042 784 V CB -0.566 31.006 31.823 -0.418 0.000 0.650 784 V HN 0.504 nan 8.190 nan 0.000 0.450 785 F N -0.344 119.661 119.950 0.093 0.000 2.692 785 F HA 0.263 4.786 4.527 -0.007 0.000 0.303 785 F C 1.147 177.006 175.800 0.097 0.000 1.114 785 F CA 0.190 58.242 58.000 0.087 0.000 1.361 785 F CB -0.527 38.526 39.000 0.088 0.000 1.063 785 F HN 0.154 nan 8.300 nan 0.000 0.550 786 D N 1.497 122.007 120.400 0.184 0.000 2.737 786 D HA -0.285 4.350 4.640 -0.007 0.000 0.233 786 D C 0.392 176.800 176.300 0.181 0.000 1.155 786 D CA 0.500 54.590 54.000 0.150 0.000 0.667 786 D CB -0.839 40.017 40.800 0.094 0.000 1.060 786 D HN 0.202 nan 8.370 nan 0.000 0.427 787 K N 0.371 120.923 120.400 0.253 0.000 2.530 787 K HA 0.072 4.387 4.320 -0.007 0.000 0.280 787 K C -0.015 176.739 176.600 0.257 0.000 1.004 787 K CA 0.762 57.205 56.287 0.260 0.000 1.071 787 K CB 0.421 33.100 32.500 0.297 0.000 0.876 787 K HN 0.223 nan 8.250 nan 0.000 0.487 788 T N 4.128 118.780 114.554 0.164 0.000 2.767 788 T HA 0.551 4.896 4.350 -0.007 0.000 0.284 788 T C -0.868 173.889 174.700 0.095 0.000 0.973 788 T CA -0.456 61.681 62.100 0.062 0.000 0.996 788 T CB 0.226 69.059 68.868 -0.058 0.000 0.927 788 T HN 0.534 nan 8.240 nan 0.000 0.456 789 Y N 1.468 121.659 120.300 -0.182 0.000 2.744 789 Y HA 0.740 5.286 4.550 -0.007 0.000 0.330 789 Y C -2.138 173.577 175.900 -0.309 0.000 1.263 789 Y CA -2.185 55.715 58.100 -0.333 0.000 1.065 789 Y CB 0.755 38.785 38.460 -0.718 0.000 1.306 789 Y HN 0.554 nan 8.280 nan 0.000 0.459 790 Y N 0.060 120.413 120.300 0.090 0.000 2.377 790 Y HA 0.487 5.032 4.550 -0.008 0.000 0.339 790 Y C 0.944 177.062 175.900 0.362 0.000 1.011 790 Y CA -0.193 57.985 58.100 0.131 0.000 1.093 790 Y CB 2.517 41.110 38.460 0.222 0.000 1.201 790 Y HN 0.782 nan 8.280 nan 0.000 0.455 791 T N -2.395 112.409 114.554 0.416 0.000 3.010 791 T HA 0.220 4.565 4.350 -0.007 0.000 0.257 791 T C -0.116 174.864 174.700 0.467 0.000 1.020 791 T CA -0.090 62.300 62.100 0.482 0.000 0.938 791 T CB -0.161 68.879 68.868 0.286 0.000 1.049 791 T HN 0.505 nan 8.240 nan 0.000 0.522 792 N N 0.473 119.306 118.700 0.222 0.000 2.537 792 N HA 0.401 5.137 4.740 -0.007 0.000 0.281 792 N C -1.983 173.219 175.510 -0.512 0.000 1.097 792 N CA -0.719 52.171 53.050 -0.268 0.000 0.964 792 N CB 1.163 39.574 38.487 -0.128 0.000 1.588 792 N HN 0.282 nan 8.380 nan 0.000 0.511 793 I N 2.807 122.707 120.570 -1.116 0.000 2.468 793 I HA 0.589 4.755 4.170 -0.007 0.000 0.285 793 I C 0.940 176.605 176.117 -0.752 0.000 1.039 793 I CA -0.571 60.193 61.300 -0.894 0.000 1.074 793 I CB 1.774 39.310 38.000 -0.773 0.000 1.228 793 I HN 0.921 nan 8.210 nan 0.000 0.436 794 G N 4.949 113.405 108.800 -0.575 0.000 2.213 794 G HA2 -0.289 3.666 3.960 -0.007 0.000 0.226 794 G HA3 -0.289 3.666 3.960 -0.007 0.000 0.226 794 G C 0.154 174.962 174.900 -0.153 0.000 0.992 794 G CA -0.557 44.316 45.100 -0.379 0.000 0.632 794 G HN 0.513 nan 8.290 nan 0.000 0.511 795 F N 2.704 122.518 119.950 -0.226 0.000 2.519 795 F HA 0.440 4.962 4.527 -0.009 0.000 0.381 795 F C 1.217 177.101 175.800 0.140 0.000 1.076 795 F CA 0.044 58.046 58.000 0.002 0.000 1.095 795 F CB -0.796 38.272 39.000 0.114 0.000 1.046 795 F HN 0.340 nan 8.300 nan 0.000 0.559 796 Y N 3.373 123.394 120.300 -0.464 0.000 3.305 796 Y HA -0.353 4.194 4.550 -0.005 0.000 0.214 796 Y C 1.106 176.842 175.900 -0.273 0.000 1.185 796 Y CA 1.069 58.938 58.100 -0.385 0.000 1.326 796 Y CB -2.311 35.854 38.460 -0.492 0.000 1.367 796 Y HN 0.777 nan 8.280 nan 0.000 0.588 797 T N -1.558 112.899 114.554 -0.162 0.000 4.308 797 T HA -0.098 4.248 4.350 -0.007 0.000 0.338 797 T C 0.099 174.617 174.700 -0.302 0.000 0.756 797 T CA 0.712 62.679 62.100 -0.222 0.000 1.963 797 T CB -1.678 67.123 68.868 -0.111 0.000 1.887 797 T HN 1.088 nan 8.240 nan 0.000 0.916 798 S N -1.185 114.309 115.700 -0.343 0.000 2.806 798 S HA 0.970 5.435 4.470 -0.007 0.000 0.306 798 S C -0.781 173.469 174.600 -0.583 0.000 1.167 798 S CA -0.388 57.568 58.200 -0.407 0.000 0.847 798 S CB 2.538 65.629 63.200 -0.181 0.000 1.216 798 S HN 1.590 nan 8.310 nan 0.000 0.532 799 A N 0.246 122.611 122.820 -0.758 0.000 2.594 799 A HA 0.844 5.160 4.320 -0.007 0.000 0.295 799 A C -0.845 176.510 177.584 -0.382 0.000 1.071 799 A CA -0.674 50.939 52.037 -0.707 0.000 0.685 799 A CB 1.584 19.983 19.000 -1.002 0.000 1.285 799 A HN 0.905 nan 8.150 nan 0.000 0.405 800 S N 0.039 115.692 115.700 -0.077 0.000 2.538 800 S HA 0.666 5.132 4.470 -0.007 0.000 0.288 800 S C -1.363 173.322 174.600 0.141 0.000 1.108 800 S CA -0.243 58.025 58.200 0.113 0.000 0.971 800 S CB 0.779 64.043 63.200 0.106 0.000 1.041 800 S HN 0.479 nan 8.310 nan 0.000 0.483 801 Y N 1.215 121.640 120.300 0.209 0.000 2.307 801 Y HA 0.507 5.052 4.550 -0.008 0.000 0.324 801 Y C 1.288 177.083 175.900 -0.175 0.000 1.238 801 Y CA 0.010 58.067 58.100 -0.072 0.000 1.280 801 Y CB 0.549 38.979 38.460 -0.050 0.000 1.248 801 Y HN 0.785 nan 8.280 nan 0.000 0.508 802 G N 1.079 109.584 108.800 -0.491 0.000 2.569 802 G HA2 0.068 4.023 3.960 -0.007 0.000 0.249 802 G HA3 0.068 4.023 3.960 -0.007 0.000 0.249 802 G C -0.786 173.837 174.900 -0.462 0.000 1.216 802 G CA -0.759 43.963 45.100 -0.631 0.000 0.845 802 G HN 0.574 nan 8.290 nan 0.000 0.568 803 D N 1.848 122.149 120.400 -0.165 0.000 2.581 803 D HA 0.106 4.741 4.640 -0.007 0.000 0.238 803 D C -1.560 174.614 176.300 -0.209 0.000 1.145 803 D CA -0.140 53.709 54.000 -0.252 0.000 0.866 803 D CB 0.849 41.737 40.800 0.148 0.000 1.151 803 D HN 0.055 nan 8.370 nan 0.000 0.500 804 P HA -0.015 nan 4.420 nan 0.000 0.273 804 P C 0.264 177.658 177.300 0.156 0.000 1.258 804 P CA -0.424 62.639 63.100 -0.062 0.000 0.802 804 P CB 0.498 32.169 31.700 -0.049 0.000 1.040 805 R N 1.690 122.263 120.500 0.121 0.000 2.504 805 R HA -0.029 4.307 4.340 -0.007 0.000 0.291 805 R C -0.260 176.049 176.300 0.016 0.000 0.974 805 R CA 0.673 56.818 56.100 0.075 0.000 1.077 805 R CB -0.886 29.432 30.300 0.029 0.000 0.926 805 R HN 0.656 nan 8.270 nan 0.000 0.407 806 N N 2.736 121.415 118.700 -0.035 0.000 2.242 806 N HA 0.396 5.132 4.740 -0.007 0.000 0.292 806 N C -1.656 173.750 175.510 -0.173 0.000 1.125 806 N CA -0.907 52.004 53.050 -0.232 0.000 0.783 806 N CB 1.451 39.828 38.487 -0.183 0.000 1.558 806 N HN 0.213 nan 8.380 nan 0.000 0.472 807 L N 0.478 121.563 121.223 -0.230 0.000 2.334 807 L HA 0.716 5.052 4.340 -0.007 0.000 0.270 807 L C -0.525 176.225 176.870 -0.201 0.000 1.018 807 L CA -0.738 53.972 54.840 -0.217 0.000 0.811 807 L CB 1.670 43.624 42.059 -0.175 0.000 1.271 807 L HN 0.775 nan 8.230 nan 0.000 0.443 808 M N 2.013 121.428 119.600 -0.309 0.000 2.224 808 M HA 0.554 5.030 4.480 -0.007 0.000 0.281 808 M C -1.957 174.146 176.300 -0.327 0.000 1.025 808 M CA -0.095 55.091 55.300 -0.189 0.000 0.954 808 M CB 1.303 33.847 32.600 -0.093 0.000 1.639 808 M HN 0.216 nan 8.290 nan 0.000 0.461 809 F N 2.485 122.417 119.950 -0.030 0.000 2.436 809 F HA 0.783 5.305 4.527 -0.008 0.000 0.340 809 F C -0.020 175.786 175.800 0.009 0.000 1.113 809 F CA -0.308 57.686 58.000 -0.010 0.000 1.022 809 F CB 2.052 41.044 39.000 -0.014 0.000 1.128 809 F HN 0.592 nan 8.300 nan 0.000 0.466 810 S N 0.464 116.265 115.700 0.168 0.000 2.536 810 S HA 0.727 5.193 4.470 -0.007 0.000 0.287 810 S C -0.775 173.897 174.600 0.120 0.000 1.101 810 S CA -1.057 57.218 58.200 0.124 0.000 0.950 810 S CB 1.787 65.030 63.200 0.070 0.000 1.056 810 S HN 0.527 nan 8.310 nan 0.000 0.481 811 T N 0.842 115.467 114.554 0.119 0.000 2.895 811 T HA 0.678 5.024 4.350 -0.007 0.000 0.283 811 T C -0.384 174.384 174.700 0.114 0.000 1.014 811 T CA -0.936 61.231 62.100 0.112 0.000 1.037 811 T CB 1.396 70.333 68.868 0.115 0.000 1.006 811 T HN 0.639 nan 8.240 nan 0.000 0.468 812 R N 1.204 121.765 120.500 0.101 0.000 2.599 812 R HA 0.477 4.813 4.340 -0.007 0.000 0.295 812 R C -2.020 174.385 176.300 0.175 0.000 0.963 812 R CA -0.826 55.333 56.100 0.097 0.000 0.883 812 R CB 1.527 31.826 30.300 -0.002 0.000 1.171 812 R HN 0.768 nan 8.270 nan 0.000 0.450 813 W N 5.489 126.758 121.300 -0.052 0.000 2.424 813 W HA 0.371 5.027 4.660 -0.008 0.000 0.318 813 W C -1.695 174.687 176.519 -0.229 0.000 1.016 813 W CA -1.381 55.910 57.345 -0.090 0.000 1.268 813 W CB 0.941 30.373 29.460 -0.047 0.000 1.297 813 W HN 0.580 nan 8.180 nan 0.000 0.428 814 D N 6.168 126.639 120.400 0.119 0.000 2.280 814 D HA 0.299 4.935 4.640 -0.007 0.000 0.243 814 D C 0.017 176.302 176.300 -0.026 0.000 1.129 814 D CA 0.088 54.005 54.000 -0.138 0.000 0.848 814 D CB 0.666 41.463 40.800 -0.004 0.000 1.107 814 D HN 0.032 nan 8.370 nan 0.000 0.471 815 F N 0.000 119.970 119.950 0.033 0.000 2.286 815 F HA 0.000 4.522 4.527 -0.008 0.000 0.279 815 F CA 0.000 58.121 58.000 0.201 0.000 1.383 815 F CB 0.000 39.124 39.000 0.207 0.000 1.145 815 F HN 0.000 nan 8.300 nan 0.000 0.574