REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2w6t_1_B DATA FIRST_RESID 44 DATA SEQUENCE QEVEFDIPPQ ALGSALQEFG RQADIQVLYR PEEVRNKRSS AIKGKLEPNQ DATA SEQUENCE AITELLRGTG ASVDFQGNAI TISVXXXXXX XXXXXXXXXX XXQLGTITED DATA SEQUENCE SGSYTPGTIA TATRLVLTPR ETPQSITVVT RQNMDDFGLN NIDDVMRHTP DATA SEQUENCE GITVSAYDTD RNNYYARGFS INNFQYDGIP STARNVGYSA GNTLSDMAIY DATA SEQUENCE DRVEVLKGAT GLLTGAGSLG ATINLIRKKP THEFKGHVEL GAGSWDNYRS DATA SEQUENCE ELDVSGPLTE SGNVRGRAVA AYQDKHSFMD HYERKTSVYY GILEFDLNPD DATA SEQUENCE TMLTVGADYQ DNDPKGSGWS GSFPLFDSQG NRNDVSRSFN NGAKWSSWEQ DATA SEQUENCE YTRTVFANLE HNFANGWVGK VQLDHKINGY HAPLGAIMGD WPAPDNSAKI DATA SEQUENCE VAQKYTGETK SNSLDIYLTG PFQFLGREHE LVVGTSASFS HWEGKSYWNL DATA SEQUENCE RNYDNTTDDF INWDGDIGKP DWGTPSQYID DKTRQLGSYM TARFNVTDDL DATA SEQUENCE NLFLGGRVVD YRVTGLNPTI RESGRFIPYV GAVYDLNDTY SVYASYTDIF DATA SEQUENCE MPQDSWYRDS SNKLLEPDEG QNYEIGIKGE YLDGRLNTSL AYFEIHEENR DATA SEQUENCE AEEDALYNSK PTNPAITYAY KGIKAKTKGY EAEISGELAP GWQVQAGYTH DATA SEQUENCE KIIRDDSGKK VSTWEPQDQL SLYTSYKFKG ALDKLTVGGG ARWQGKSWQM DATA SEQUENCE VYNNPRSRWE KFSQEDYWLV DLMARYQITD KLSASVNVNN VFDKTYYTNI DATA SEQUENCE GFYTSASYGD PRNLMFSTRW DF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 44 Q HA 0.000 nan 4.340 nan 0.000 0.214 44 Q C 0.000 176.010 176.000 0.017 0.000 1.003 44 Q CA 0.000 55.810 55.803 0.012 0.000 1.022 44 Q CB 0.000 28.740 28.738 0.003 0.000 1.108 45 E N 0.685 120.896 120.200 0.019 0.000 2.442 45 E HA 0.217 4.568 4.350 0.003 0.000 0.262 45 E C -0.991 175.592 176.600 -0.029 0.000 1.004 45 E CA 0.217 56.635 56.400 0.029 0.000 0.928 45 E CB 0.722 30.442 29.700 0.034 0.000 0.937 45 E HN 0.149 nan 8.360 nan 0.000 0.446 46 V N 2.582 122.452 119.914 -0.073 0.000 2.769 46 V HA 0.141 4.263 4.120 0.003 0.000 0.312 46 V C -0.301 175.554 176.094 -0.398 0.000 1.061 46 V CA -0.847 61.267 62.300 -0.311 0.000 0.931 46 V CB 2.017 33.484 31.823 -0.593 0.000 1.010 46 V HN 0.608 nan 8.190 nan 0.000 0.433 47 E N 2.228 122.197 120.200 -0.386 0.000 2.129 47 E HA 0.434 4.785 4.350 0.003 0.000 0.283 47 E C -1.357 174.997 176.600 -0.410 0.000 1.080 47 E CA 0.172 56.413 56.400 -0.265 0.000 0.867 47 E CB 0.225 29.839 29.700 -0.144 0.000 1.056 47 E HN 0.371 nan 8.360 nan 0.000 0.404 48 F N 2.368 122.326 119.950 0.013 0.000 2.458 48 F HA 0.405 4.933 4.527 0.002 0.000 0.330 48 F C 0.229 176.049 175.800 0.035 0.000 1.082 48 F CA -0.894 57.121 58.000 0.024 0.000 0.995 48 F CB 1.492 40.535 39.000 0.070 0.000 1.170 48 F HN 0.241 nan 8.300 nan 0.000 0.478 49 D N 2.971 123.514 120.400 0.238 0.000 2.337 49 D HA 0.342 4.983 4.640 0.003 0.000 0.238 49 D C -1.304 175.081 176.300 0.141 0.000 1.331 49 D CA 0.017 54.107 54.000 0.150 0.000 0.967 49 D CB 0.381 41.233 40.800 0.088 0.000 1.382 49 D HN 0.459 nan 8.370 nan 0.000 0.549 50 I N 4.693 125.348 120.570 0.141 0.000 2.493 50 I HA 0.290 4.462 4.170 0.003 0.000 0.279 50 I C -2.210 173.947 176.117 0.066 0.000 1.045 50 I CA -1.788 59.578 61.300 0.110 0.000 1.106 50 I CB 2.190 40.276 38.000 0.143 0.000 1.216 50 I HN 0.064 nan 8.210 nan 0.000 0.459 51 P HA 0.219 nan 4.420 nan 0.000 0.272 51 P C -2.604 174.705 177.300 0.015 0.000 1.230 51 P CA -1.675 61.442 63.100 0.030 0.000 0.788 51 P CB -0.328 31.388 31.700 0.027 0.000 0.949 52 P HA -0.021 nan 4.420 nan 0.000 0.256 52 P C -0.148 177.148 177.300 -0.006 0.000 1.173 52 P CA 0.972 64.069 63.100 -0.005 0.000 0.768 52 P CB -0.121 31.576 31.700 -0.006 0.000 0.758 53 Q N 2.300 122.092 119.800 -0.014 0.000 2.707 53 Q HA 0.707 5.049 4.340 0.003 0.000 0.307 53 Q C -1.083 174.900 176.000 -0.028 0.000 0.934 53 Q CA -1.467 54.327 55.803 -0.015 0.000 0.753 53 Q CB 0.997 29.731 28.738 -0.007 0.000 1.478 53 Q HN 0.241 nan 8.270 nan 0.000 0.458 54 A N 1.238 124.042 122.820 -0.027 0.000 2.580 54 A HA 0.015 4.337 4.320 0.003 0.000 0.244 54 A C 0.882 178.426 177.584 -0.067 0.000 1.045 54 A CA -0.187 51.826 52.037 -0.040 0.000 0.761 54 A CB -0.152 18.831 19.000 -0.029 0.000 0.962 54 A HN 0.708 nan 8.150 nan 0.000 0.512 55 L N 4.249 125.418 121.223 -0.090 0.000 2.051 55 L HA -0.169 4.173 4.340 0.003 0.000 0.214 55 L C 2.370 179.111 176.870 -0.215 0.000 1.076 55 L CA 2.884 57.637 54.840 -0.144 0.000 0.758 55 L CB -1.215 40.752 42.059 -0.152 0.000 0.890 55 L HN 0.849 nan 8.230 nan 0.000 0.433 56 G N -1.557 107.121 108.800 -0.203 0.000 2.491 56 G HA2 -0.346 3.616 3.960 0.003 0.000 0.218 56 G HA3 -0.346 3.616 3.960 0.003 0.000 0.218 56 G C 1.492 176.300 174.900 -0.154 0.000 1.180 56 G CA 1.343 46.298 45.100 -0.241 0.000 0.774 56 G HN 0.596 nan 8.290 nan 0.000 0.562 57 S N 0.618 116.277 115.700 -0.069 0.000 2.478 57 S HA 0.450 4.921 4.470 0.003 0.000 0.222 57 S C 2.506 177.104 174.600 -0.004 0.000 1.008 57 S CA 0.994 59.185 58.200 -0.015 0.000 0.928 57 S CB 0.046 63.249 63.200 0.006 0.000 0.781 57 S HN 0.587 nan 8.310 nan 0.000 0.518 58 A N 2.891 125.692 122.820 -0.031 0.000 1.873 58 A HA -0.007 4.315 4.320 0.003 0.000 0.218 58 A C 2.213 179.808 177.584 0.019 0.000 1.193 58 A CA 1.607 53.639 52.037 -0.010 0.000 0.629 58 A CB -1.046 17.922 19.000 -0.054 0.000 0.826 58 A HN 0.505 nan 8.150 nan 0.000 0.447 59 L N -0.957 120.223 121.223 -0.071 0.000 2.046 59 L HA -0.273 4.068 4.340 0.003 0.000 0.208 59 L C 2.940 179.886 176.870 0.128 0.000 1.077 59 L CA 1.790 56.605 54.840 -0.042 0.000 0.747 59 L CB -0.638 41.249 42.059 -0.288 0.000 0.896 59 L HN 0.528 nan 8.230 nan 0.000 0.432 60 Q N -0.501 119.366 119.800 0.111 0.000 2.167 60 Q HA -0.251 4.090 4.340 0.003 0.000 0.202 60 Q C 2.029 178.111 176.000 0.137 0.000 0.970 60 Q CA 1.499 57.393 55.803 0.152 0.000 0.855 60 Q CB -0.034 28.777 28.738 0.122 0.000 0.911 60 Q HN 0.486 nan 8.270 nan 0.000 0.438 61 E N 0.440 120.718 120.200 0.130 0.000 2.107 61 E HA -0.170 4.182 4.350 0.003 0.000 0.191 61 E C 1.544 178.267 176.600 0.206 0.000 0.982 61 E CA 0.516 56.997 56.400 0.135 0.000 0.809 61 E CB -0.117 29.650 29.700 0.111 0.000 0.756 61 E HN 0.292 nan 8.360 nan 0.000 0.459 62 F N 0.765 120.773 119.950 0.096 0.000 2.202 62 F HA -0.067 4.461 4.527 0.002 0.000 0.301 62 F C 1.849 177.760 175.800 0.185 0.000 1.082 62 F CA 1.794 59.884 58.000 0.151 0.000 1.313 62 F CB -0.498 38.531 39.000 0.048 0.000 1.024 62 F HN 0.124 nan 8.300 nan 0.000 0.495 63 G N -0.199 108.757 108.800 0.261 0.000 2.433 63 G HA2 -0.282 3.680 3.960 0.003 0.000 0.216 63 G HA3 -0.282 3.680 3.960 0.003 0.000 0.216 63 G C 1.800 176.742 174.900 0.070 0.000 1.186 63 G CA 0.716 45.917 45.100 0.169 0.000 0.779 63 G HN 0.313 nan 8.290 nan 0.000 0.543 64 R N -0.172 120.366 120.500 0.063 0.000 2.091 64 R HA -0.052 4.290 4.340 0.003 0.000 0.238 64 R C 2.765 179.063 176.300 -0.004 0.000 1.136 64 R CA 1.716 57.835 56.100 0.032 0.000 0.959 64 R CB -0.179 30.143 30.300 0.037 0.000 0.856 64 R HN 0.430 nan 8.270 nan 0.000 0.437 65 Q N -1.549 118.237 119.800 -0.023 0.000 2.187 65 Q HA 0.019 4.360 4.340 0.003 0.000 0.199 65 Q C 1.584 177.442 176.000 -0.236 0.000 0.957 65 Q CA 1.204 56.948 55.803 -0.098 0.000 0.857 65 Q CB 0.382 29.111 28.738 -0.015 0.000 0.929 65 Q HN 0.359 nan 8.270 nan 0.000 0.453 66 A N 0.288 122.974 122.820 -0.224 0.000 2.220 66 A HA 0.005 4.327 4.320 0.003 0.000 0.211 66 A C 0.408 177.934 177.584 -0.097 0.000 1.176 66 A CA 0.540 52.429 52.037 -0.247 0.000 0.834 66 A CB 0.342 19.133 19.000 -0.348 0.000 0.868 66 A HN 0.371 nan 8.150 nan 0.000 0.488 67 D N -1.954 118.424 120.400 -0.037 0.000 2.837 67 D HA -0.177 4.464 4.640 0.003 0.000 0.230 67 D C -0.515 175.838 176.300 0.088 0.000 1.152 67 D CA 0.771 54.797 54.000 0.043 0.000 0.736 67 D CB -1.540 39.286 40.800 0.043 0.000 1.084 67 D HN 0.350 nan 8.370 nan 0.000 0.429 68 I N 0.774 121.403 120.570 0.098 0.000 2.465 68 I HA 0.270 4.441 4.170 0.003 0.000 0.291 68 I C 0.109 176.342 176.117 0.193 0.000 1.014 68 I CA -0.726 60.672 61.300 0.163 0.000 1.093 68 I CB 1.685 39.811 38.000 0.210 0.000 1.267 68 I HN -0.022 nan 8.210 nan 0.000 0.431 69 Q N 4.821 124.736 119.800 0.192 0.000 2.330 69 Q HA 0.353 4.694 4.340 0.003 0.000 0.279 69 Q C -1.482 174.630 176.000 0.186 0.000 1.024 69 Q CA 0.321 56.234 55.803 0.184 0.000 0.900 69 Q CB 0.805 29.651 28.738 0.180 0.000 1.221 69 Q HN 0.470 nan 8.270 nan 0.000 0.396 70 V N 5.958 125.987 119.914 0.190 0.000 2.495 70 V HA 0.458 4.580 4.120 0.003 0.000 0.298 70 V C -0.409 175.787 176.094 0.170 0.000 1.031 70 V CA -0.771 61.644 62.300 0.191 0.000 0.871 70 V CB 1.477 33.448 31.823 0.246 0.000 0.988 70 V HN 0.722 nan 8.190 nan 0.000 0.432 71 L N 6.120 127.419 121.223 0.127 0.000 2.341 71 L HA 0.733 5.074 4.340 0.003 0.000 0.278 71 L C -0.918 176.032 176.870 0.134 0.000 1.005 71 L CA -0.635 54.237 54.840 0.054 0.000 0.818 71 L CB 1.506 43.588 42.059 0.038 0.000 1.259 71 L HN 0.827 nan 8.230 nan 0.000 0.418 72 Y N 0.283 120.582 120.300 -0.002 0.000 2.609 72 Y HA 0.659 5.211 4.550 0.003 0.000 0.336 72 Y C -0.901 174.997 175.900 -0.005 0.000 1.129 72 Y CA -1.550 56.543 58.100 -0.012 0.000 1.040 72 Y CB 1.232 39.679 38.460 -0.021 0.000 1.310 72 Y HN 0.338 nan 8.280 nan 0.000 0.460 73 R N 2.360 122.957 120.500 0.162 0.000 2.265 73 R HA 0.310 4.651 4.340 0.003 0.000 0.314 73 R C -2.146 174.280 176.300 0.211 0.000 1.053 73 R CA -1.691 54.459 56.100 0.084 0.000 0.931 73 R CB 0.866 31.201 30.300 0.059 0.000 1.024 73 R HN 0.462 nan 8.270 nan 0.000 0.457 74 P HA -0.258 nan 4.420 nan 0.000 0.215 74 P C 0.805 178.185 177.300 0.132 0.000 1.153 74 P CA 1.228 64.457 63.100 0.215 0.000 0.853 74 P CB 0.186 31.948 31.700 0.103 0.000 0.788 75 E N 0.610 120.857 120.200 0.079 0.000 2.204 75 E HA -0.220 4.132 4.350 0.003 0.000 0.195 75 E C 1.370 177.996 176.600 0.043 0.000 0.990 75 E CA 1.343 57.773 56.400 0.049 0.000 0.821 75 E CB -0.851 28.868 29.700 0.032 0.000 0.750 75 E HN 0.399 nan 8.360 nan 0.000 0.477 76 E N 0.580 120.815 120.200 0.058 0.000 2.400 76 E HA -0.026 4.326 4.350 0.003 0.000 0.195 76 E C 2.010 178.620 176.600 0.016 0.000 1.012 76 E CA 0.773 57.194 56.400 0.036 0.000 0.875 76 E CB 0.645 30.369 29.700 0.041 0.000 0.859 76 E HN 0.318 nan 8.360 nan 0.000 0.498 77 V N -1.453 118.473 119.914 0.019 0.000 3.644 77 V HA 0.137 4.258 4.120 0.003 0.000 0.267 77 V C 2.067 178.141 176.094 -0.032 0.000 1.277 77 V CA 0.382 62.656 62.300 -0.043 0.000 1.096 77 V CB 0.061 31.797 31.823 -0.144 0.000 0.828 77 V HN 0.020 nan 8.190 nan 0.000 0.446 78 R N 2.394 122.897 120.500 0.004 0.000 2.208 78 R HA -0.255 4.087 4.340 0.003 0.000 0.262 78 R C 0.972 177.267 176.300 -0.009 0.000 1.166 78 R CA 2.814 58.918 56.100 0.007 0.000 0.987 78 R CB -0.629 29.682 30.300 0.019 0.000 0.887 78 R HN 0.725 nan 8.270 nan 0.000 0.459 79 N N -0.462 118.229 118.700 -0.016 0.000 2.610 79 N HA 0.143 4.885 4.740 0.003 0.000 0.307 79 N C -1.515 173.980 175.510 -0.025 0.000 1.813 79 N CA -0.471 52.568 53.050 -0.018 0.000 0.901 79 N CB 0.791 39.271 38.487 -0.011 0.000 1.354 79 N HN 0.050 nan 8.380 nan 0.000 0.491 80 K N 0.435 120.812 120.400 -0.038 0.000 2.400 80 K HA 0.473 4.795 4.320 0.003 0.000 0.246 80 K C -0.750 175.819 176.600 -0.051 0.000 0.995 80 K CA -0.723 55.538 56.287 -0.044 0.000 0.840 80 K CB 2.492 34.960 32.500 -0.054 0.000 1.293 80 K HN 0.011 nan 8.250 nan 0.000 0.445 81 R N 1.125 121.596 120.500 -0.048 0.000 2.445 81 R HA 0.228 4.570 4.340 0.003 0.000 0.308 81 R C -0.070 176.196 176.300 -0.056 0.000 0.961 81 R CA -0.220 55.853 56.100 -0.045 0.000 0.862 81 R CB 1.407 31.687 30.300 -0.033 0.000 1.144 81 R HN 0.901 nan 8.270 nan 0.000 0.447 82 S N 1.888 117.553 115.700 -0.059 0.000 2.614 82 S HA 0.285 4.756 4.470 0.003 0.000 0.265 82 S C -0.214 174.357 174.600 -0.047 0.000 1.303 82 S CA -0.653 57.507 58.200 -0.065 0.000 1.000 82 S CB 1.434 64.594 63.200 -0.066 0.000 0.935 82 S HN 0.517 nan 8.310 nan 0.000 0.551 83 S N 1.061 116.730 115.700 -0.051 0.000 2.525 83 S HA 0.705 5.176 4.470 0.003 0.000 0.290 83 S C 0.259 174.843 174.600 -0.027 0.000 1.152 83 S CA -0.595 57.584 58.200 -0.035 0.000 1.072 83 S CB 1.194 64.373 63.200 -0.035 0.000 1.027 83 S HN 1.156 nan 8.310 nan 0.000 0.500 84 A N 2.501 125.315 122.820 -0.010 0.000 2.587 84 A HA 0.362 4.684 4.320 0.003 0.000 0.235 84 A C 0.247 177.834 177.584 0.005 0.000 1.044 84 A CA 0.001 52.041 52.037 0.005 0.000 0.754 84 A CB -0.741 18.267 19.000 0.013 0.000 0.968 84 A HN 0.897 nan 8.150 nan 0.000 0.509 85 I N -0.925 119.658 120.570 0.022 0.000 2.582 85 I HA 0.882 5.053 4.170 0.003 0.000 0.292 85 I C -0.694 175.479 176.117 0.094 0.000 1.066 85 I CA -0.967 60.356 61.300 0.038 0.000 1.053 85 I CB 2.233 40.226 38.000 -0.012 0.000 1.241 85 I HN 0.645 nan 8.210 nan 0.000 0.421 86 K N 3.929 124.393 120.400 0.107 0.000 2.569 86 K HA 0.713 5.034 4.320 0.003 0.000 0.259 86 K C -0.535 176.138 176.600 0.123 0.000 0.932 86 K CA 0.095 56.458 56.287 0.126 0.000 0.833 86 K CB 2.042 34.594 32.500 0.085 0.000 1.340 86 K HN 1.322 nan 8.250 nan 0.000 0.429 87 G N 2.462 111.342 108.800 0.133 0.000 2.306 87 G HA2 -0.068 3.893 3.960 0.003 0.000 0.262 87 G HA3 -0.068 3.893 3.960 0.003 0.000 0.262 87 G C -1.726 173.245 174.900 0.118 0.000 1.263 87 G CA -0.595 44.566 45.100 0.102 0.000 1.088 87 G HN 0.581 nan 8.290 nan 0.000 0.489 88 K N 0.508 120.960 120.400 0.087 0.000 2.262 88 K HA 0.699 5.021 4.320 0.003 0.000 0.282 88 K C -0.604 176.074 176.600 0.130 0.000 1.066 88 K CA -0.529 55.801 56.287 0.072 0.000 0.901 88 K CB 0.050 32.569 32.500 0.030 0.000 1.089 88 K HN 0.525 nan 8.250 nan 0.000 0.476 89 L N 2.885 124.236 121.223 0.212 0.000 2.466 89 L HA 0.314 4.655 4.340 0.003 0.000 0.258 89 L C -0.259 176.797 176.870 0.311 0.000 0.973 89 L CA -1.192 53.809 54.840 0.268 0.000 0.826 89 L CB 2.114 44.373 42.059 0.334 0.000 1.372 89 L HN 0.629 nan 8.230 nan 0.000 0.409 90 E N 2.265 122.589 120.200 0.207 0.000 2.452 90 E HA -0.013 4.338 4.350 0.003 0.000 0.261 90 E C -1.711 175.066 176.600 0.295 0.000 0.987 90 E CA -1.170 55.344 56.400 0.190 0.000 0.926 90 E CB 0.991 30.755 29.700 0.107 0.000 0.934 90 E HN 0.320 nan 8.360 nan 0.000 0.452 91 P HA -0.193 nan 4.420 nan 0.000 0.215 91 P C 1.003 178.561 177.300 0.429 0.000 1.153 91 P CA 1.316 64.710 63.100 0.491 0.000 0.853 91 P CB 0.124 32.088 31.700 0.440 0.000 0.788 92 N N 0.223 119.078 118.700 0.258 0.000 2.084 92 N HA -0.208 4.534 4.740 0.003 0.000 0.190 92 N C 1.832 177.444 175.510 0.170 0.000 1.030 92 N CA 1.544 54.742 53.050 0.247 0.000 0.849 92 N CB -1.424 36.992 38.487 -0.118 0.000 1.012 92 N HN 0.212 nan 8.380 nan 0.000 0.423 93 Q N 0.179 120.044 119.800 0.108 0.000 2.061 93 Q HA -0.054 4.287 4.340 0.003 0.000 0.204 93 Q C 2.082 178.097 176.000 0.025 0.000 0.984 93 Q CA 2.094 57.937 55.803 0.065 0.000 0.846 93 Q CB -0.245 28.534 28.738 0.068 0.000 0.902 93 Q HN 0.574 nan 8.270 nan 0.000 0.421 94 A N 0.580 123.415 122.820 0.024 0.000 1.858 94 A HA -0.213 4.109 4.320 0.003 0.000 0.216 94 A C 1.963 179.394 177.584 -0.255 0.000 1.190 94 A CA 1.483 53.432 52.037 -0.146 0.000 0.617 94 A CB -0.737 17.975 19.000 -0.480 0.000 0.827 94 A HN 0.463 nan 8.150 nan 0.000 0.443 95 I N -0.697 119.670 120.570 -0.338 0.000 2.286 95 I HA -0.160 4.011 4.170 0.003 0.000 0.248 95 I C 2.402 178.315 176.117 -0.340 0.000 1.115 95 I CA 2.165 63.043 61.300 -0.703 0.000 1.392 95 I CB -0.439 37.091 38.000 -0.783 0.000 1.065 95 I HN 0.292 nan 8.210 nan 0.000 0.418 96 T N -0.211 114.255 114.554 -0.146 0.000 2.867 96 T HA -0.105 4.247 4.350 0.003 0.000 0.268 96 T C 1.794 176.439 174.700 -0.091 0.000 1.057 96 T CA 1.181 63.233 62.100 -0.080 0.000 1.136 96 T CB -0.094 68.777 68.868 0.005 0.000 0.874 96 T HN 0.321 nan 8.240 nan 0.000 0.466 97 E N 0.409 120.549 120.200 -0.100 0.000 2.340 97 E HA 0.141 4.493 4.350 0.003 0.000 0.194 97 E C 2.015 178.554 176.600 -0.102 0.000 0.996 97 E CA 0.089 56.443 56.400 -0.078 0.000 0.869 97 E CB -0.044 29.625 29.700 -0.052 0.000 0.835 97 E HN 0.426 nan 8.360 nan 0.000 0.493 98 L N 0.345 121.471 121.223 -0.162 0.000 2.217 98 L HA -0.025 4.316 4.340 0.003 0.000 0.211 98 L C 1.794 178.575 176.870 -0.148 0.000 1.107 98 L CA 0.787 55.528 54.840 -0.165 0.000 0.783 98 L CB 0.085 41.989 42.059 -0.258 0.000 0.919 98 L HN 0.050 nan 8.230 nan 0.000 0.442 99 L N -0.435 120.696 121.223 -0.154 0.000 2.592 99 L HA 0.114 4.456 4.340 0.003 0.000 0.227 99 L C 0.914 177.732 176.870 -0.086 0.000 1.127 99 L CA -0.261 54.502 54.840 -0.128 0.000 0.884 99 L CB -0.319 41.654 42.059 -0.143 0.000 1.065 99 L HN 0.094 nan 8.230 nan 0.000 0.457 100 R N 1.334 121.791 120.500 -0.073 0.000 2.488 100 R HA 0.060 4.402 4.340 0.003 0.000 0.317 100 R C 0.979 177.253 176.300 -0.043 0.000 0.941 100 R CA 0.901 56.971 56.100 -0.050 0.000 1.076 100 R CB 0.002 30.278 30.300 -0.040 0.000 0.917 100 R HN 0.351 nan 8.270 nan 0.000 0.407 101 G N 3.042 111.820 108.800 -0.036 0.000 2.273 101 G HA2 -0.321 3.641 3.960 0.003 0.000 0.280 101 G HA3 -0.321 3.641 3.960 0.003 0.000 0.280 101 G C 0.665 175.543 174.900 -0.037 0.000 1.047 101 G CA 0.781 45.863 45.100 -0.031 0.000 0.869 101 G HN 0.753 nan 8.290 nan 0.000 0.502 102 T N -3.798 110.728 114.554 -0.046 0.000 3.037 102 T HA 0.427 4.779 4.350 0.003 0.000 0.252 102 T C 2.331 177.006 174.700 -0.040 0.000 1.073 102 T CA 1.441 63.512 62.100 -0.049 0.000 1.091 102 T CB 0.425 69.253 68.868 -0.067 0.000 0.935 102 T HN 2.124 nan 8.240 nan 0.000 0.488 103 G N 1.331 110.109 108.800 -0.037 0.000 2.143 103 G HA2 0.030 3.991 3.960 0.003 0.000 0.249 103 G HA3 0.030 3.991 3.960 0.003 0.000 0.249 103 G C 0.154 175.035 174.900 -0.032 0.000 0.981 103 G CA -0.111 44.972 45.100 -0.029 0.000 0.665 103 G HN 1.183 nan 8.290 nan 0.000 0.528 104 A N 0.030 122.823 122.820 -0.045 0.000 2.312 104 A HA 0.877 5.198 4.320 0.003 0.000 0.326 104 A C 0.590 178.141 177.584 -0.055 0.000 1.172 104 A CA 0.639 52.646 52.037 -0.051 0.000 0.821 104 A CB 1.035 19.994 19.000 -0.068 0.000 1.166 104 A HN 1.480 nan 8.150 nan 0.000 0.493 105 S N 0.202 115.874 115.700 -0.047 0.000 2.713 105 S HA 0.744 5.216 4.470 0.003 0.000 0.283 105 S C -0.382 174.171 174.600 -0.079 0.000 1.161 105 S CA -0.660 57.511 58.200 -0.048 0.000 0.999 105 S CB 1.441 64.626 63.200 -0.025 0.000 1.039 105 S HN 0.985 nan 8.310 nan 0.000 0.548 106 V N 0.708 120.567 119.914 -0.092 0.000 2.569 106 V HA 0.444 4.566 4.120 0.003 0.000 0.301 106 V C -0.940 175.046 176.094 -0.180 0.000 1.044 106 V CA -0.814 61.371 62.300 -0.191 0.000 0.874 106 V CB 1.546 33.199 31.823 -0.284 0.000 1.002 106 V HN 0.865 nan 8.190 nan 0.000 0.424 107 D N 2.793 123.083 120.400 -0.183 0.000 2.193 107 D HA 0.450 5.092 4.640 0.003 0.000 0.249 107 D C -0.448 175.713 176.300 -0.232 0.000 1.034 107 D CA -0.165 53.773 54.000 -0.103 0.000 0.902 107 D CB 2.410 43.188 40.800 -0.037 0.000 1.182 107 D HN 0.514 nan 8.370 nan 0.000 0.436 108 F N 0.802 120.766 119.950 0.023 0.000 2.750 108 F HA 0.129 4.658 4.527 0.002 0.000 0.297 108 F C 1.262 177.077 175.800 0.024 0.000 1.138 108 F CA -0.259 57.762 58.000 0.034 0.000 1.346 108 F CB 0.608 39.632 39.000 0.039 0.000 0.965 108 F HN 0.099 nan 8.300 nan 0.000 0.514 109 Q N -0.295 119.568 119.800 0.105 0.000 2.180 109 Q HA 0.543 4.884 4.340 0.003 0.000 0.241 109 Q C 0.918 176.915 176.000 -0.005 0.000 0.970 109 Q CA 0.306 56.140 55.803 0.051 0.000 0.919 109 Q CB 1.510 30.259 28.738 0.019 0.000 1.222 109 Q HN 0.428 nan 8.270 nan 0.000 0.482 110 G N 1.612 110.382 108.800 -0.051 0.000 2.575 110 G HA2 -0.306 3.655 3.960 0.003 0.000 0.267 110 G HA3 -0.306 3.655 3.960 0.003 0.000 0.267 110 G C 0.079 174.998 174.900 0.032 0.000 1.264 110 G CA 0.142 45.197 45.100 -0.074 0.000 0.935 110 G HN 0.733 nan 8.290 nan 0.000 0.568 111 N N 1.615 120.355 118.700 0.067 0.000 2.279 111 N HA 0.497 5.238 4.740 0.003 0.000 0.226 111 N C 0.536 176.125 175.510 0.133 0.000 1.126 111 N CA 0.844 53.957 53.050 0.106 0.000 0.846 111 N CB 0.457 39.005 38.487 0.102 0.000 1.050 111 N HN 0.965 nan 8.380 nan 0.000 0.502 112 A N 0.449 123.338 122.820 0.115 0.000 2.350 112 A HA 0.699 5.021 4.320 0.003 0.000 0.318 112 A C -0.171 177.449 177.584 0.060 0.000 1.132 112 A CA -0.732 51.375 52.037 0.117 0.000 0.811 112 A CB 0.863 19.938 19.000 0.125 0.000 1.313 112 A HN 0.250 nan 8.150 nan 0.000 0.454 113 I N -0.215 120.371 120.570 0.027 0.000 2.315 113 I HA 0.626 4.797 4.170 0.003 0.000 0.291 113 I C 0.159 176.220 176.117 -0.094 0.000 1.006 113 I CA -0.087 61.120 61.300 -0.155 0.000 1.265 113 I CB 1.514 39.317 38.000 -0.327 0.000 1.387 113 I HN 0.515 nan 8.210 nan 0.000 0.475 114 T N 6.262 120.743 114.554 -0.121 0.000 2.771 114 T HA 0.604 4.956 4.350 0.003 0.000 0.281 114 T C -0.234 174.425 174.700 -0.069 0.000 0.982 114 T CA -0.718 61.354 62.100 -0.046 0.000 0.978 114 T CB 0.941 69.803 68.868 -0.009 0.000 0.930 114 T HN 0.493 nan 8.240 nan 0.000 0.447 115 I N 4.501 125.062 120.570 -0.015 0.000 2.359 115 I HA 0.512 4.683 4.170 0.003 0.000 0.294 115 I C 0.757 176.878 176.117 0.008 0.000 0.987 115 I CA -0.398 60.886 61.300 -0.027 0.000 1.225 115 I CB 1.106 39.102 38.000 -0.007 0.000 1.366 115 I HN 1.011 nan 8.210 nan 0.000 0.466 116 S N 5.441 121.133 115.700 -0.013 0.000 2.806 116 S HA 0.876 5.348 4.470 0.003 0.000 0.306 116 S C -0.667 173.927 174.600 -0.009 0.000 1.167 116 S CA -0.647 57.554 58.200 0.002 0.000 0.847 116 S CB 2.332 65.535 63.200 0.005 0.000 1.216 116 S HN 0.263 nan 8.310 nan 0.000 0.532 137 L N 1.078 122.352 121.223 0.084 0.000 2.612 137 L HA 0.398 4.740 4.340 0.003 0.000 0.230 137 L C 0.977 177.865 176.870 0.030 0.000 1.140 137 L CA 0.672 55.545 54.840 0.056 0.000 0.896 137 L CB 0.268 42.363 42.059 0.061 0.000 1.065 137 L HN 0.328 nan 8.230 nan 0.000 0.447 138 G N -0.133 108.688 108.800 0.036 0.000 2.343 138 G HA2 -0.109 3.852 3.960 0.003 0.000 0.562 138 G HA3 -0.109 3.852 3.960 0.003 0.000 0.562 138 G C -0.482 174.440 174.900 0.037 0.000 1.269 138 G CA -0.478 44.638 45.100 0.025 0.000 1.011 138 G HN -0.004 nan 8.290 nan 0.000 0.498 139 T N -0.279 114.294 114.554 0.032 0.000 2.771 139 T HA 0.635 4.987 4.350 0.003 0.000 0.291 139 T C 0.914 175.640 174.700 0.044 0.000 0.954 139 T CA -0.426 61.697 62.100 0.038 0.000 1.045 139 T CB 1.271 70.159 68.868 0.033 0.000 0.917 139 T HN 0.687 nan 8.240 nan 0.000 0.484 140 I N 3.599 124.201 120.570 0.054 0.000 2.845 140 I HA -0.042 4.129 4.170 0.003 0.000 0.296 140 I C 1.931 178.081 176.117 0.055 0.000 1.216 140 I CA 0.424 61.760 61.300 0.060 0.000 1.438 140 I CB 0.808 38.850 38.000 0.071 0.000 1.342 140 I HN 0.995 nan 8.210 nan 0.000 0.577 141 T N 0.902 115.490 114.554 0.058 0.000 3.023 141 T HA 0.084 4.436 4.350 0.003 0.000 0.249 141 T C 0.726 175.463 174.700 0.063 0.000 1.050 141 T CA -0.385 61.751 62.100 0.060 0.000 1.088 141 T CB -0.106 68.799 68.868 0.061 0.000 0.946 141 T HN 0.586 nan 8.240 nan 0.000 0.480 142 E N 1.569 121.805 120.200 0.061 0.000 2.696 142 E HA -0.099 4.253 4.350 0.003 0.000 0.270 142 E C 0.125 176.752 176.600 0.046 0.000 0.958 142 E CA 0.823 57.255 56.400 0.053 0.000 0.964 142 E CB 0.082 29.818 29.700 0.060 0.000 0.948 142 E HN 0.291 nan 8.360 nan 0.000 0.472 143 D N 0.659 121.079 120.400 0.034 0.000 2.527 143 D HA -0.316 4.326 4.640 0.003 0.000 0.160 143 D C 1.244 177.561 176.300 0.028 0.000 1.646 143 D CA 1.904 55.920 54.000 0.027 0.000 1.652 143 D CB -1.633 39.186 40.800 0.033 0.000 1.337 143 D HN 0.525 nan 8.370 nan 0.000 0.432 144 S N 0.227 115.948 115.700 0.036 0.000 2.440 144 S HA 0.059 4.531 4.470 0.003 0.000 0.238 144 S C 1.917 176.532 174.600 0.025 0.000 1.010 144 S CA 2.307 60.526 58.200 0.032 0.000 0.972 144 S CB -0.290 62.934 63.200 0.039 0.000 0.774 144 S HN 1.355 nan 8.310 nan 0.000 0.501 145 G N 0.459 109.278 108.800 0.032 0.000 2.168 145 G HA2 -0.278 3.683 3.960 0.003 0.000 0.257 145 G HA3 -0.278 3.683 3.960 0.003 0.000 0.257 145 G C 0.064 174.973 174.900 0.016 0.000 0.997 145 G CA 0.604 45.717 45.100 0.022 0.000 0.708 145 G HN 1.164 nan 8.290 nan 0.000 0.520 146 S N -1.537 114.200 115.700 0.062 0.000 2.593 146 S HA 0.716 5.187 4.470 0.003 0.000 0.297 146 S C 0.933 175.689 174.600 0.259 0.000 1.112 146 S CA -0.683 57.559 58.200 0.071 0.000 1.043 146 S CB 0.990 64.221 63.200 0.051 0.000 1.054 146 S HN 0.241 nan 8.310 nan 0.000 0.516 147 Y N 1.708 122.042 120.300 0.056 0.000 2.482 147 Y HA 0.288 4.840 4.550 0.003 0.000 0.270 147 Y C 1.545 177.472 175.900 0.045 0.000 1.152 147 Y CA -0.060 58.080 58.100 0.066 0.000 1.292 147 Y CB -0.384 38.132 38.460 0.093 0.000 1.070 147 Y HN 0.541 nan 8.280 nan 0.000 0.528 148 T N 3.045 117.707 114.554 0.181 0.000 2.859 148 T HA 0.390 4.742 4.350 0.003 0.000 0.281 148 T C -2.513 172.230 174.700 0.071 0.000 1.005 148 T CA -2.059 60.102 62.100 0.103 0.000 1.025 148 T CB 1.317 70.232 68.868 0.078 0.000 0.977 148 T HN -0.164 nan 8.240 nan 0.000 0.458 149 P HA 0.276 nan 4.420 nan 0.000 0.272 149 P C 0.501 177.813 177.300 0.021 0.000 1.240 149 P CA -0.194 62.922 63.100 0.028 0.000 0.791 149 P CB 0.702 32.406 31.700 0.007 0.000 0.978 150 G N 0.215 109.025 108.800 0.018 0.000 2.760 150 G HA2 0.214 4.176 3.960 0.003 0.000 0.214 150 G HA3 0.214 4.176 3.960 0.003 0.000 0.214 150 G C 0.057 174.960 174.900 0.005 0.000 1.212 150 G CA 0.618 45.726 45.100 0.014 0.000 0.858 150 G HN 0.763 nan 8.290 nan 0.000 0.611 151 T N -1.270 113.287 114.554 0.006 0.000 2.883 151 T HA 0.681 5.032 4.350 0.003 0.000 0.301 151 T C -0.796 173.900 174.700 -0.007 0.000 1.158 151 T CA -0.779 61.320 62.100 -0.001 0.000 1.007 151 T CB 2.143 71.014 68.868 0.005 0.000 1.186 151 T HN 0.722 nan 8.240 nan 0.000 0.499 152 I N -1.450 119.109 120.570 -0.019 0.000 2.802 152 I HA 0.811 4.983 4.170 0.003 0.000 0.298 152 I C 0.008 176.100 176.117 -0.041 0.000 1.176 152 I CA -1.712 59.569 61.300 -0.033 0.000 1.025 152 I CB 2.079 40.048 38.000 -0.051 0.000 1.243 152 I HN 0.835 nan 8.210 nan 0.000 0.424 153 A N 2.621 125.410 122.820 -0.050 0.000 2.564 153 A HA 0.276 4.598 4.320 0.003 0.000 0.279 153 A C 1.315 178.828 177.584 -0.119 0.000 1.232 153 A CA 0.086 52.081 52.037 -0.070 0.000 0.950 153 A CB -0.431 18.542 19.000 -0.045 0.000 1.138 153 A HN 0.853 nan 8.150 nan 0.000 0.526 154 T N 0.412 114.893 114.554 -0.122 0.000 2.674 154 T HA -0.119 4.233 4.350 0.003 0.000 0.265 154 T C 2.257 176.836 174.700 -0.201 0.000 1.039 154 T CA 1.763 63.770 62.100 -0.154 0.000 1.150 154 T CB -0.358 68.425 68.868 -0.143 0.000 0.864 154 T HN 0.571 nan 8.240 nan 0.000 0.427 155 A N 1.876 124.577 122.820 -0.198 0.000 1.845 155 A HA -0.096 4.226 4.320 0.003 0.000 0.215 155 A C 2.536 179.903 177.584 -0.361 0.000 1.195 155 A CA 2.368 54.257 52.037 -0.247 0.000 0.616 155 A CB -0.982 17.897 19.000 -0.202 0.000 0.832 155 A HN 0.631 nan 8.150 nan 0.000 0.443 156 T N -7.063 107.308 114.554 -0.306 0.000 3.004 156 T HA 0.428 4.780 4.350 0.003 0.000 0.266 156 T C 0.845 175.402 174.700 -0.238 0.000 0.986 156 T CA 0.677 62.584 62.100 -0.323 0.000 0.902 156 T CB 0.598 69.364 68.868 -0.170 0.000 1.118 156 T HN 0.417 nan 8.240 nan 0.000 0.522 157 R N -0.764 119.593 120.500 -0.238 0.000 3.405 157 R HA -0.087 4.255 4.340 0.003 0.000 0.458 157 R C -0.407 175.807 176.300 -0.144 0.000 0.589 157 R CA 0.880 56.822 56.100 -0.263 0.000 1.480 157 R CB -2.279 27.794 30.300 -0.377 0.000 2.107 157 R HN 0.524 nan 8.270 nan 0.000 0.379 158 L N 1.109 122.289 121.223 -0.072 0.000 2.426 158 L HA 0.223 4.565 4.340 0.003 0.000 0.271 158 L C 0.424 177.290 176.870 -0.005 0.000 1.169 158 L CA -0.362 54.469 54.840 -0.014 0.000 0.836 158 L CB 0.892 42.977 42.059 0.044 0.000 1.112 158 L HN -0.161 nan 8.230 nan 0.000 0.465 159 V N 5.624 125.541 119.914 0.006 0.000 2.356 159 V HA 0.270 4.392 4.120 0.003 0.000 0.258 159 V C 0.206 176.309 176.094 0.016 0.000 1.065 159 V CA 0.050 62.356 62.300 0.010 0.000 0.935 159 V CB 0.203 32.039 31.823 0.021 0.000 1.061 159 V HN 0.447 nan 8.190 nan 0.000 0.484 160 L N 4.002 125.233 121.223 0.014 0.000 2.371 160 L HA 0.633 4.975 4.340 0.003 0.000 0.262 160 L C 0.581 177.451 176.870 0.000 0.000 1.006 160 L CA -0.704 54.150 54.840 0.023 0.000 0.818 160 L CB 2.652 44.745 42.059 0.055 0.000 1.354 160 L HN 0.604 nan 8.230 nan 0.000 0.415 161 T N -2.332 112.221 114.554 -0.002 0.000 2.813 161 T HA 0.239 4.590 4.350 0.003 0.000 0.297 161 T C -2.066 172.611 174.700 -0.038 0.000 1.036 161 T CA -1.361 60.728 62.100 -0.018 0.000 1.044 161 T CB 1.075 69.931 68.868 -0.021 0.000 0.993 161 T HN 0.331 nan 8.240 nan 0.000 0.535 162 P HA -0.112 nan 4.420 nan 0.000 0.214 162 P C 1.803 179.038 177.300 -0.109 0.000 1.163 162 P CA 0.863 63.914 63.100 -0.081 0.000 0.883 162 P CB -0.060 31.603 31.700 -0.063 0.000 0.788 163 R N 0.697 121.147 120.500 -0.084 0.000 2.140 163 R HA -0.244 4.098 4.340 0.003 0.000 0.250 163 R C 1.763 178.026 176.300 -0.061 0.000 1.150 163 R CA 2.053 58.106 56.100 -0.079 0.000 0.966 163 R CB -0.578 29.678 30.300 -0.073 0.000 0.869 163 R HN 0.259 nan 8.270 nan 0.000 0.445 164 E N -0.581 119.601 120.200 -0.030 0.000 2.358 164 E HA -0.010 4.342 4.350 0.003 0.000 0.195 164 E C -0.118 176.501 176.600 0.031 0.000 1.010 164 E CA 0.548 56.972 56.400 0.041 0.000 0.856 164 E CB 0.315 30.054 29.700 0.065 0.000 0.795 164 E HN 0.222 nan 8.360 nan 0.000 0.504 165 T N 3.414 117.911 114.554 -0.094 0.000 2.737 165 T HA 0.094 4.445 4.350 0.003 0.000 0.296 165 T C -2.104 172.381 174.700 -0.358 0.000 0.922 165 T CA -1.294 60.689 62.100 -0.195 0.000 1.079 165 T CB 1.215 69.980 68.868 -0.172 0.000 0.892 165 T HN 0.016 nan 8.240 nan 0.000 0.514 166 P HA 0.122 nan 4.420 nan 0.000 0.254 166 P C -0.247 176.950 177.300 -0.172 0.000 1.631 166 P CA 0.104 63.018 63.100 -0.311 0.000 0.861 166 P CB 0.206 31.790 31.700 -0.193 0.000 1.663 167 Q N -0.866 118.757 119.800 -0.295 0.000 2.377 167 Q HA 0.383 4.725 4.340 0.003 0.000 0.279 167 Q C -0.757 175.177 176.000 -0.109 0.000 1.049 167 Q CA -0.631 55.127 55.803 -0.074 0.000 0.825 167 Q CB 2.202 30.898 28.738 -0.071 0.000 1.401 167 Q HN -0.163 nan 8.270 nan 0.000 0.404 168 S N 1.553 117.253 115.700 -0.001 0.000 2.533 168 S HA 0.397 4.869 4.470 0.003 0.000 0.282 168 S C -0.703 173.848 174.600 -0.082 0.000 1.304 168 S CA 0.005 58.196 58.200 -0.015 0.000 1.063 168 S CB 0.086 63.278 63.200 -0.014 0.000 0.881 168 S HN 0.397 nan 8.310 nan 0.000 0.493 169 I N 3.801 124.321 120.570 -0.083 0.000 2.563 169 I HA 0.324 4.495 4.170 0.003 0.000 0.285 169 I C -0.635 175.438 176.117 -0.074 0.000 1.123 169 I CA 0.150 61.393 61.300 -0.095 0.000 1.059 169 I CB 1.629 39.562 38.000 -0.111 0.000 1.229 169 I HN 0.468 nan 8.210 nan 0.000 0.442 170 T N 6.373 120.880 114.554 -0.079 0.000 2.867 170 T HA 0.768 5.120 4.350 0.003 0.000 0.282 170 T C -0.727 173.929 174.700 -0.074 0.000 1.000 170 T CA -0.475 61.588 62.100 -0.062 0.000 1.042 170 T CB 1.577 70.405 68.868 -0.066 0.000 0.973 170 T HN 0.359 nan 8.240 nan 0.000 0.465 171 V N 2.849 122.731 119.914 -0.053 0.000 2.686 171 V HA 0.372 4.494 4.120 0.003 0.000 0.306 171 V C -0.286 175.777 176.094 -0.052 0.000 1.065 171 V CA -0.951 61.314 62.300 -0.058 0.000 0.894 171 V CB 2.059 33.859 31.823 -0.039 0.000 1.004 171 V HN 0.680 nan 8.190 nan 0.000 0.424 172 V N 4.364 124.235 119.914 -0.073 0.000 2.353 172 V HA 0.307 4.429 4.120 0.003 0.000 0.264 172 V C 0.910 176.974 176.094 -0.049 0.000 1.049 172 V CA -0.073 62.181 62.300 -0.077 0.000 0.896 172 V CB 1.509 33.270 31.823 -0.103 0.000 1.025 172 V HN 1.093 nan 8.190 nan 0.000 0.475 173 T N 2.607 117.149 114.554 -0.021 0.000 2.899 173 T HA 0.254 4.606 4.350 0.003 0.000 0.295 173 T C 1.226 175.942 174.700 0.027 0.000 1.033 173 T CA -0.485 61.630 62.100 0.025 0.000 1.084 173 T CB 1.109 70.028 68.868 0.085 0.000 0.979 173 T HN 0.451 nan 8.240 nan 0.000 0.532 174 R N 1.033 121.561 120.500 0.047 0.000 2.190 174 R HA -0.230 4.111 4.340 0.003 0.000 0.255 174 R C 2.434 178.770 176.300 0.061 0.000 1.143 174 R CA 2.398 58.529 56.100 0.051 0.000 0.965 174 R CB -1.217 29.118 30.300 0.058 0.000 0.889 174 R HN 0.841 nan 8.270 nan 0.000 0.448 175 Q N -0.295 119.573 119.800 0.113 0.000 2.170 175 Q HA -0.100 4.242 4.340 0.003 0.000 0.203 175 Q C 1.687 177.814 176.000 0.213 0.000 0.976 175 Q CA 2.198 58.111 55.803 0.183 0.000 0.858 175 Q CB -0.343 28.562 28.738 0.280 0.000 0.907 175 Q HN 0.619 nan 8.270 nan 0.000 0.433 176 N N -1.574 117.161 118.700 0.058 0.000 2.109 176 N HA -0.127 4.614 4.740 0.003 0.000 0.188 176 N C 1.695 177.221 175.510 0.027 0.000 1.034 176 N CA 1.148 54.104 53.050 -0.157 0.000 0.846 176 N CB -0.048 38.214 38.487 -0.374 0.000 1.010 176 N HN 0.210 nan 8.380 nan 0.000 0.425 177 M N 0.687 120.279 119.600 -0.012 0.000 2.088 177 M HA -0.227 4.255 4.480 0.003 0.000 0.256 177 M C 1.372 177.673 176.300 0.001 0.000 1.071 177 M CA 1.720 57.012 55.300 -0.014 0.000 1.097 177 M CB -0.210 32.385 32.600 -0.009 0.000 1.315 177 M HN 0.201 nan 8.290 nan 0.000 0.406 178 D N 0.176 120.575 120.400 -0.001 0.000 2.084 178 D HA -0.156 4.486 4.640 0.003 0.000 0.194 178 D C 1.639 177.898 176.300 -0.068 0.000 0.990 178 D CA 1.371 55.352 54.000 -0.032 0.000 0.826 178 D CB -0.603 40.172 40.800 -0.042 0.000 0.971 178 D HN 0.301 nan 8.370 nan 0.000 0.453 179 D N -0.669 119.678 120.400 -0.088 0.000 2.149 179 D HA -0.131 4.511 4.640 0.003 0.000 0.198 179 D C 1.259 177.243 176.300 -0.526 0.000 0.990 179 D CA 0.765 54.588 54.000 -0.294 0.000 0.839 179 D CB -0.196 40.417 40.800 -0.310 0.000 0.948 179 D HN 0.256 nan 8.370 nan 0.000 0.460 180 F N -0.840 119.089 119.950 -0.036 0.000 2.653 180 F HA 0.326 4.855 4.527 0.003 0.000 0.304 180 F C 1.571 177.300 175.800 -0.118 0.000 1.092 180 F CA -0.028 57.928 58.000 -0.073 0.000 1.279 180 F CB 0.429 39.353 39.000 -0.127 0.000 1.044 180 F HN -0.074 nan 8.300 nan 0.000 0.564 181 G N 1.646 110.453 108.800 0.012 0.000 2.273 181 G HA2 -0.312 3.650 3.960 0.003 0.000 0.280 181 G HA3 -0.312 3.650 3.960 0.003 0.000 0.280 181 G C 0.135 175.017 174.900 -0.030 0.000 1.047 181 G CA -0.257 44.838 45.100 -0.008 0.000 0.869 181 G HN 0.330 nan 8.290 nan 0.000 0.502 182 L N -0.196 120.990 121.223 -0.062 0.000 2.515 182 L HA 0.190 4.532 4.340 0.003 0.000 0.281 182 L C 1.417 178.262 176.870 -0.041 0.000 1.131 182 L CA 0.051 54.822 54.840 -0.114 0.000 0.905 182 L CB -0.005 41.949 42.059 -0.175 0.000 1.246 182 L HN 0.305 nan 8.230 nan 0.000 0.463 183 N N 1.474 120.163 118.700 -0.017 0.000 2.388 183 N HA -0.015 4.726 4.740 0.003 0.000 0.176 183 N C 0.118 175.651 175.510 0.039 0.000 1.062 183 N CA -0.001 53.062 53.050 0.021 0.000 0.895 183 N CB 0.362 38.867 38.487 0.031 0.000 1.018 183 N HN 0.646 nan 8.380 nan 0.000 0.456 184 N N -0.348 118.370 118.700 0.030 0.000 2.831 184 N HA 0.090 4.832 4.740 0.003 0.000 0.276 184 N C 0.323 175.850 175.510 0.028 0.000 1.416 184 N CA -0.705 52.375 53.050 0.050 0.000 0.799 184 N CB 0.619 39.145 38.487 0.064 0.000 1.554 184 N HN -0.189 nan 8.380 nan 0.000 0.541 185 I N 0.338 120.938 120.570 0.049 0.000 2.361 185 I HA -0.167 4.004 4.170 0.003 0.000 0.251 185 I C 0.939 177.056 176.117 0.001 0.000 1.133 185 I CA 1.628 62.940 61.300 0.021 0.000 1.413 185 I CB -0.503 37.543 38.000 0.077 0.000 1.073 185 I HN 0.476 nan 8.210 nan 0.000 0.424 186 D N 0.876 121.335 120.400 0.097 0.000 2.104 186 D HA -0.188 4.453 4.640 0.003 0.000 0.194 186 D C 1.777 178.091 176.300 0.024 0.000 0.994 186 D CA 1.660 55.733 54.000 0.122 0.000 0.830 186 D CB -0.373 40.527 40.800 0.166 0.000 0.959 186 D HN 0.397 nan 8.370 nan 0.000 0.452 187 D N -0.071 120.327 120.400 -0.003 0.000 2.178 187 D HA -0.091 4.550 4.640 0.003 0.000 0.201 187 D C 2.254 178.454 176.300 -0.166 0.000 0.980 187 D CA 0.275 54.228 54.000 -0.078 0.000 0.842 187 D CB -0.270 40.470 40.800 -0.100 0.000 0.948 187 D HN 0.084 nan 8.370 nan 0.000 0.472 188 V N 0.856 120.685 119.914 -0.141 0.000 2.343 188 V HA -0.227 3.895 4.120 0.003 0.000 0.247 188 V C 2.402 178.400 176.094 -0.160 0.000 1.051 188 V CA 1.163 63.364 62.300 -0.165 0.000 1.036 188 V CB -0.283 31.453 31.823 -0.146 0.000 0.654 188 V HN 0.200 nan 8.190 nan 0.000 0.451 189 M N -0.460 119.013 119.600 -0.212 0.000 2.099 189 M HA -0.121 4.361 4.480 0.003 0.000 0.262 189 M C 2.328 178.556 176.300 -0.120 0.000 1.067 189 M CA 1.640 56.761 55.300 -0.298 0.000 1.124 189 M CB -1.286 30.898 32.600 -0.693 0.000 1.353 189 M HN 0.268 nan 8.290 nan 0.000 0.410 190 R N -0.821 119.670 120.500 -0.016 0.000 2.133 190 R HA -0.214 4.128 4.340 0.003 0.000 0.247 190 R C 1.475 177.862 176.300 0.145 0.000 1.151 190 R CA 1.443 57.599 56.100 0.094 0.000 0.971 190 R CB -0.571 29.829 30.300 0.166 0.000 0.866 190 R HN 0.487 nan 8.270 nan 0.000 0.447 191 H N -1.110 117.870 119.070 -0.151 0.000 2.529 191 H HA 0.160 4.718 4.556 0.003 0.000 0.277 191 H C -0.233 175.022 175.328 -0.122 0.000 1.004 191 H CA 0.119 56.031 56.048 -0.227 0.000 1.167 191 H CB 0.520 29.961 29.762 -0.536 0.000 1.445 191 H HN -0.054 nan 8.280 nan 0.000 0.554 192 T N 4.687 119.231 114.554 -0.017 0.000 2.749 192 T HA 0.171 4.522 4.350 0.003 0.000 0.295 192 T C -2.485 172.191 174.700 -0.040 0.000 0.936 192 T CA -1.483 60.584 62.100 -0.054 0.000 1.060 192 T CB 1.434 70.230 68.868 -0.119 0.000 0.904 192 T HN 0.125 nan 8.240 nan 0.000 0.500 193 P HA 0.302 nan 4.420 nan 0.000 0.271 193 P C 0.829 178.092 177.300 -0.063 0.000 1.226 193 P CA 0.181 63.261 63.100 -0.033 0.000 0.765 193 P CB 0.912 32.611 31.700 -0.003 0.000 0.835 194 G N 2.861 111.606 108.800 -0.092 0.000 2.255 194 G HA2 -0.135 3.827 3.960 0.003 0.000 0.196 194 G HA3 -0.135 3.827 3.960 0.003 0.000 0.196 194 G C -0.138 174.692 174.900 -0.117 0.000 0.998 194 G CA -0.425 44.609 45.100 -0.109 0.000 0.656 194 G HN 0.487 nan 8.290 nan 0.000 0.490 195 I N 1.787 122.293 120.570 -0.105 0.000 2.509 195 I HA 0.533 4.705 4.170 0.003 0.000 0.293 195 I C -0.481 175.601 176.117 -0.057 0.000 1.020 195 I CA -0.765 60.487 61.300 -0.081 0.000 1.088 195 I CB 2.402 40.332 38.000 -0.116 0.000 1.267 195 I HN 0.001 nan 8.210 nan 0.000 0.430 196 T N 4.978 119.540 114.554 0.014 0.000 2.809 196 T HA 0.443 4.794 4.350 0.003 0.000 0.284 196 T C -0.316 174.475 174.700 0.152 0.000 0.992 196 T CA -0.497 61.621 62.100 0.031 0.000 0.957 196 T CB 1.782 70.647 68.868 -0.004 0.000 0.942 196 T HN 0.152 nan 8.240 nan 0.000 0.439 197 V N 3.945 123.936 119.914 0.130 0.000 2.407 197 V HA 0.682 4.803 4.120 0.003 0.000 0.278 197 V C 0.320 176.513 176.094 0.164 0.000 1.037 197 V CA -0.607 61.808 62.300 0.192 0.000 0.900 197 V CB 1.281 33.234 31.823 0.218 0.000 0.983 197 V HN 1.081 nan 8.190 nan 0.000 0.459 198 S N 3.575 119.332 115.700 0.095 0.000 2.599 198 S HA 0.921 5.393 4.470 0.003 0.000 0.294 198 S C -0.420 174.107 174.600 -0.122 0.000 1.094 198 S CA -0.531 57.748 58.200 0.131 0.000 0.931 198 S CB 2.111 65.511 63.200 0.334 0.000 1.093 198 S HN 1.161 nan 8.310 nan 0.000 0.488 199 A N 0.889 123.651 122.820 -0.097 0.000 2.303 199 A HA 0.751 5.072 4.320 0.003 0.000 0.317 199 A C -0.553 176.744 177.584 -0.479 0.000 1.149 199 A CA -0.570 51.337 52.037 -0.216 0.000 0.822 199 A CB 0.153 19.119 19.000 -0.056 0.000 1.131 199 A HN 0.880 nan 8.150 nan 0.000 0.493 200 Y N 0.577 120.673 120.300 -0.340 0.000 2.453 200 Y HA 0.233 4.785 4.550 0.003 0.000 0.273 200 Y C 0.154 175.938 175.900 -0.193 0.000 1.130 200 Y CA 0.901 58.662 58.100 -0.565 0.000 1.271 200 Y CB 0.191 38.283 38.460 -0.613 0.000 1.253 200 Y HN 0.792 nan 8.280 nan 0.000 0.512 201 D N -3.806 116.636 120.400 0.070 0.000 2.665 201 D HA 0.162 4.803 4.640 0.003 0.000 0.287 201 D C 0.552 176.856 176.300 0.007 0.000 1.266 201 D CA 0.006 54.066 54.000 0.099 0.000 0.830 201 D CB 0.410 41.372 40.800 0.270 0.000 1.356 201 D HN 0.038 nan 8.370 nan 0.000 0.437 202 T N -3.280 111.258 114.554 -0.027 0.000 2.883 202 T HA -0.233 4.119 4.350 0.003 0.000 0.266 202 T C 0.318 174.952 174.700 -0.110 0.000 1.103 202 T CA 1.566 63.555 62.100 -0.185 0.000 1.125 202 T CB -0.345 68.265 68.868 -0.431 0.000 0.819 202 T HN 0.524 nan 8.240 nan 0.000 0.536 203 D N 0.155 120.524 120.400 -0.051 0.000 2.594 203 D HA 0.247 4.889 4.640 0.003 0.000 0.256 203 D C 0.158 176.312 176.300 -0.243 0.000 1.393 203 D CA -0.253 53.705 54.000 -0.070 0.000 0.797 203 D CB 0.959 41.768 40.800 0.015 0.000 1.110 203 D HN 0.427 nan 8.370 nan 0.000 0.495 204 R N 0.186 120.562 120.500 -0.208 0.000 2.668 204 R HA 0.533 4.874 4.340 0.003 0.000 0.272 204 R C -1.055 175.188 176.300 -0.094 0.000 1.019 204 R CA -0.593 55.361 56.100 -0.244 0.000 0.894 204 R CB 2.155 32.229 30.300 -0.376 0.000 1.228 204 R HN -0.132 nan 8.270 nan 0.000 0.460 205 N N -0.179 118.456 118.700 -0.108 0.000 2.732 205 N HA 0.324 5.066 4.740 0.003 0.000 0.259 205 N C -1.802 173.470 175.510 -0.397 0.000 1.402 205 N CA -0.810 52.109 53.050 -0.217 0.000 0.829 205 N CB 2.055 40.455 38.487 -0.145 0.000 1.495 205 N HN 0.424 nan 8.380 nan 0.000 0.511 206 N N -0.116 118.242 118.700 -0.569 0.000 2.238 206 N HA 0.454 5.196 4.740 0.003 0.000 0.302 206 N C -2.014 173.197 175.510 -0.498 0.000 1.072 206 N CA -0.396 52.276 53.050 -0.629 0.000 0.792 206 N CB 0.879 38.866 38.487 -0.834 0.000 1.425 206 N HN 0.330 nan 8.380 nan 0.000 0.478 207 Y N 1.732 121.874 120.300 -0.264 0.000 2.364 207 Y HA 0.425 4.977 4.550 0.003 0.000 0.340 207 Y C -0.912 174.826 175.900 -0.271 0.000 0.975 207 Y CA -0.793 57.179 58.100 -0.213 0.000 1.089 207 Y CB 0.708 39.092 38.460 -0.126 0.000 1.192 207 Y HN 0.387 nan 8.280 nan 0.000 0.454 208 Y N 1.119 121.453 120.300 0.057 0.000 2.387 208 Y HA 0.775 5.327 4.550 0.003 0.000 0.336 208 Y C -0.016 175.854 175.900 -0.049 0.000 1.067 208 Y CA -1.212 56.878 58.100 -0.016 0.000 1.114 208 Y CB 1.883 40.299 38.460 -0.073 0.000 1.208 208 Y HN 0.671 nan 8.280 nan 0.000 0.458 209 A N 2.641 125.540 122.820 0.131 0.000 2.381 209 A HA 0.675 4.997 4.320 0.003 0.000 0.299 209 A C -0.190 177.422 177.584 0.046 0.000 1.049 209 A CA -1.155 50.891 52.037 0.014 0.000 0.715 209 A CB 0.686 19.647 19.000 -0.065 0.000 1.222 209 A HN 0.945 nan 8.150 nan 0.000 0.428 210 R N 1.492 121.974 120.500 -0.030 0.000 3.416 210 R HA -0.241 4.101 4.340 0.003 0.000 0.263 210 R C 1.081 177.457 176.300 0.127 0.000 1.053 210 R CA 1.151 57.259 56.100 0.014 0.000 0.705 210 R CB -2.028 28.205 30.300 -0.111 0.000 1.124 210 R HN 2.489 nan 8.270 nan 0.000 0.444 211 G N -1.568 107.210 108.800 -0.038 0.000 2.176 211 G HA2 -0.331 3.630 3.960 0.003 0.000 0.253 211 G HA3 -0.331 3.630 3.960 0.003 0.000 0.253 211 G C -0.021 174.585 174.900 -0.490 0.000 0.979 211 G CA 0.329 45.264 45.100 -0.275 0.000 0.641 211 G HN 0.339 nan 8.290 nan 0.000 0.530 212 F N 0.895 120.871 119.950 0.043 0.000 2.532 212 F HA 0.694 5.223 4.527 0.003 0.000 0.321 212 F C 0.780 176.636 175.800 0.093 0.000 1.089 212 F CA -0.853 57.178 58.000 0.053 0.000 0.926 212 F CB 2.174 41.162 39.000 -0.020 0.000 1.168 212 F HN -0.031 nan 8.300 nan 0.000 0.459 213 S N 2.761 118.571 115.700 0.184 0.000 2.533 213 S HA 0.284 4.756 4.470 0.003 0.000 0.282 213 S C 0.086 174.698 174.600 0.020 0.000 1.304 213 S CA -0.423 57.778 58.200 0.001 0.000 1.063 213 S CB -0.087 63.080 63.200 -0.056 0.000 0.881 213 S HN 0.321 nan 8.310 nan 0.000 0.493 214 I N 4.040 124.591 120.570 -0.032 0.000 2.587 214 I HA 0.053 4.224 4.170 0.003 0.000 0.284 214 I C 0.825 176.871 176.117 -0.118 0.000 1.134 214 I CA 0.178 61.423 61.300 -0.093 0.000 1.410 214 I CB 0.211 38.144 38.000 -0.110 0.000 1.392 214 I HN 0.545 nan 8.210 nan 0.000 0.545 215 N N 5.321 123.942 118.700 -0.132 0.000 2.466 215 N HA 0.141 4.883 4.740 0.003 0.000 0.272 215 N C -1.186 174.270 175.510 -0.090 0.000 1.455 215 N CA -0.229 52.785 53.050 -0.060 0.000 0.875 215 N CB 0.336 38.824 38.487 0.001 0.000 1.372 215 N HN 0.448 nan 8.380 nan 0.000 0.492 216 N N 0.519 119.069 118.700 -0.250 0.000 2.399 216 N HA 0.331 5.073 4.740 0.003 0.000 0.280 216 N C -1.484 173.795 175.510 -0.384 0.000 1.008 216 N CA -0.099 52.823 53.050 -0.214 0.000 0.894 216 N CB 1.046 39.398 38.487 -0.225 0.000 1.273 216 N HN 0.005 nan 8.380 nan 0.000 0.486 217 F N 0.789 120.651 119.950 -0.146 0.000 2.518 217 F HA 0.369 4.897 4.527 0.003 0.000 0.323 217 F C 0.357 175.939 175.800 -0.363 0.000 1.129 217 F CA -0.570 57.275 58.000 -0.258 0.000 0.920 217 F CB 2.054 40.949 39.000 -0.175 0.000 1.160 217 F HN 0.120 nan 8.300 nan 0.000 0.440 218 Q N 2.191 121.780 119.800 -0.353 0.000 2.345 218 Q HA 0.489 4.831 4.340 0.003 0.000 0.268 218 Q C -1.766 173.823 176.000 -0.686 0.000 1.054 218 Q CA -1.025 54.565 55.803 -0.355 0.000 0.835 218 Q CB 2.687 31.292 28.738 -0.222 0.000 1.339 218 Q HN 0.543 nan 8.270 nan 0.000 0.447 219 Y N 1.273 121.579 120.300 0.011 0.000 2.447 219 Y HA 0.179 4.731 4.550 0.003 0.000 0.325 219 Y C -0.481 175.407 175.900 -0.020 0.000 0.976 219 Y CA -0.821 57.285 58.100 0.010 0.000 1.280 219 Y CB 1.062 39.544 38.460 0.037 0.000 1.104 219 Y HN 0.663 nan 8.280 nan 0.000 0.486 220 D N 2.920 123.352 120.400 0.054 0.000 2.746 220 D HA -0.192 4.449 4.640 0.003 0.000 0.236 220 D C 1.326 177.636 176.300 0.018 0.000 1.129 220 D CA 1.880 55.893 54.000 0.021 0.000 0.691 220 D CB -0.901 39.883 40.800 -0.026 0.000 1.077 220 D HN 1.075 nan 8.370 nan 0.000 0.432 221 G N -0.973 107.817 108.800 -0.017 0.000 2.320 221 G HA2 -0.323 3.638 3.960 0.003 0.000 0.242 221 G HA3 -0.323 3.638 3.960 0.003 0.000 0.242 221 G C 0.386 175.280 174.900 -0.010 0.000 1.033 221 G CA 0.202 45.285 45.100 -0.030 0.000 0.620 221 G HN 0.442 nan 8.290 nan 0.000 0.517 222 I N 3.986 124.581 120.570 0.041 0.000 2.436 222 I HA 0.246 4.418 4.170 0.003 0.000 0.289 222 I C -1.662 174.497 176.117 0.070 0.000 1.083 222 I CA -2.864 58.481 61.300 0.076 0.000 1.372 222 I CB 0.143 38.218 38.000 0.125 0.000 1.408 222 I HN 0.032 nan 8.210 nan 0.000 0.516 223 P HA 0.005 nan 4.420 nan 0.000 0.267 223 P C 0.030 177.391 177.300 0.101 0.000 1.205 223 P CA -0.019 63.099 63.100 0.029 0.000 0.765 223 P CB 0.792 32.489 31.700 -0.005 0.000 0.828 224 S N 1.930 117.716 115.700 0.143 0.000 2.580 224 S HA 0.240 4.712 4.470 0.003 0.000 0.274 224 S C 1.211 175.875 174.600 0.108 0.000 1.329 224 S CA 0.028 58.336 58.200 0.180 0.000 1.036 224 S CB -0.100 63.263 63.200 0.271 0.000 0.919 224 S HN 0.595 nan 8.310 nan 0.000 0.515 225 T N 1.160 115.761 114.554 0.078 0.000 3.084 225 T HA 0.453 4.804 4.350 0.003 0.000 0.270 225 T C 0.326 175.029 174.700 0.004 0.000 1.008 225 T CA 0.080 62.213 62.100 0.055 0.000 0.900 225 T CB 0.041 68.947 68.868 0.062 0.000 1.084 225 T HN 0.689 nan 8.240 nan 0.000 0.538 226 A N 1.679 124.481 122.820 -0.029 0.000 2.410 226 A HA 0.587 4.908 4.320 0.003 0.000 0.292 226 A C 1.024 178.567 177.584 -0.069 0.000 1.232 226 A CA -0.564 51.403 52.037 -0.117 0.000 0.893 226 A CB -0.102 18.811 19.000 -0.146 0.000 1.131 226 A HN 0.486 nan 8.150 nan 0.000 0.530 227 R N 1.316 121.766 120.500 -0.082 0.000 2.539 227 R HA 0.092 4.434 4.340 0.003 0.000 0.342 227 R C -0.207 176.088 176.300 -0.009 0.000 0.941 227 R CA -0.200 55.898 56.100 -0.004 0.000 1.146 227 R CB 0.482 30.799 30.300 0.028 0.000 1.541 227 R HN 0.670 nan 8.270 nan 0.000 0.525 228 N N 1.393 120.048 118.700 -0.074 0.000 2.511 228 N HA 0.032 4.774 4.740 0.003 0.000 0.249 228 N C 0.995 176.475 175.510 -0.049 0.000 0.971 228 N CA -0.108 52.936 53.050 -0.011 0.000 0.938 228 N CB 1.852 40.348 38.487 0.015 0.000 1.131 228 N HN -0.076 nan 8.380 nan 0.000 0.505 229 V N 2.022 121.887 119.914 -0.082 0.000 3.078 229 V HA 0.118 4.239 4.120 0.003 0.000 0.265 229 V C 1.927 177.889 176.094 -0.219 0.000 1.122 229 V CA 1.618 63.793 62.300 -0.208 0.000 1.141 229 V CB -0.920 30.706 31.823 -0.329 0.000 0.735 229 V HN 0.509 nan 8.190 nan 0.000 0.498 230 G N -0.562 108.170 108.800 -0.114 0.000 2.448 230 G HA2 -0.167 3.795 3.960 0.003 0.000 0.219 230 G HA3 -0.167 3.795 3.960 0.003 0.000 0.219 230 G C 0.743 175.440 174.900 -0.338 0.000 1.127 230 G CA 0.691 45.680 45.100 -0.186 0.000 0.766 230 G HN 0.680 nan 8.290 nan 0.000 0.552 231 Y N 1.035 121.285 120.300 -0.083 0.000 2.557 231 Y HA 0.466 5.017 4.550 0.003 0.000 0.352 231 Y C 0.795 176.533 175.900 -0.271 0.000 0.918 231 Y CA -1.060 56.860 58.100 -0.301 0.000 1.232 231 Y CB 0.172 38.291 38.460 -0.567 0.000 1.235 231 Y HN -0.099 nan 8.280 nan 0.000 0.596 232 S N 1.778 117.507 115.700 0.048 0.000 2.715 232 S HA 0.125 4.596 4.470 0.003 0.000 0.318 232 S C 0.884 175.477 174.600 -0.011 0.000 1.242 232 S CA 0.785 58.877 58.200 -0.180 0.000 1.044 232 S CB 0.273 63.099 63.200 -0.624 0.000 0.760 232 S HN 0.633 nan 8.310 nan 0.000 0.501 233 A N 2.805 125.571 122.820 -0.090 0.000 2.674 233 A HA 0.602 4.924 4.320 0.003 0.000 0.286 233 A C 1.223 178.739 177.584 -0.113 0.000 0.980 233 A CA 0.140 52.157 52.037 -0.034 0.000 1.028 233 A CB -0.509 18.461 19.000 -0.051 0.000 1.199 233 A HN 1.617 nan 8.150 nan 0.000 0.499 234 G N 0.415 109.139 108.800 -0.127 0.000 2.199 234 G HA2 -0.311 3.650 3.960 0.003 0.000 0.254 234 G HA3 -0.311 3.650 3.960 0.003 0.000 0.254 234 G C 0.934 175.720 174.900 -0.190 0.000 0.982 234 G CA 0.455 45.475 45.100 -0.134 0.000 0.632 234 G HN 0.437 nan 8.290 nan 0.000 0.529 235 N N 0.202 118.720 118.700 -0.302 0.000 2.430 235 N HA -0.067 4.675 4.740 0.003 0.000 0.186 235 N C 2.061 177.230 175.510 -0.567 0.000 1.032 235 N CA 1.876 54.585 53.050 -0.568 0.000 0.893 235 N CB -0.088 37.812 38.487 -0.979 0.000 0.957 235 N HN 0.645 nan 8.380 nan 0.000 0.442 236 T N -1.401 112.985 114.554 -0.280 0.000 3.069 236 T HA 0.256 4.608 4.350 0.003 0.000 0.252 236 T C 1.159 175.872 174.700 0.022 0.000 1.053 236 T CA -0.060 61.994 62.100 -0.078 0.000 0.964 236 T CB 0.260 69.017 68.868 -0.185 0.000 1.005 236 T HN 0.055 nan 8.240 nan 0.000 0.532 237 L N 1.115 122.326 121.223 -0.020 0.000 3.135 237 L HA 0.407 4.748 4.340 0.003 0.000 0.279 237 L C 0.341 177.236 176.870 0.041 0.000 1.200 237 L CA -0.375 54.476 54.840 0.019 0.000 1.016 237 L CB 0.688 42.747 42.059 0.000 0.000 1.391 237 L HN 0.061 nan 8.230 nan 0.000 0.588 238 S N 0.870 116.604 115.700 0.057 0.000 2.552 238 S HA -0.033 4.439 4.470 0.003 0.000 0.289 238 S C -0.015 174.671 174.600 0.142 0.000 1.304 238 S CA 0.035 58.309 58.200 0.122 0.000 1.063 238 S CB 0.769 64.099 63.200 0.216 0.000 0.848 238 S HN 0.174 nan 8.310 nan 0.000 0.499 239 D N 1.571 122.055 120.400 0.141 0.000 2.255 239 D HA 0.113 4.754 4.640 0.003 0.000 0.249 239 D C 0.742 177.154 176.300 0.187 0.000 1.078 239 D CA -0.558 53.511 54.000 0.114 0.000 0.896 239 D CB 0.693 41.526 40.800 0.056 0.000 1.194 239 D HN 0.268 nan 8.370 nan 0.000 0.429 240 M N 2.873 122.565 119.600 0.154 0.000 2.460 240 M HA -0.063 4.419 4.480 0.003 0.000 0.263 240 M C 1.974 178.359 176.300 0.142 0.000 1.071 240 M CA 0.499 55.917 55.300 0.196 0.000 1.096 240 M CB -1.409 31.254 32.600 0.106 0.000 1.408 240 M HN 0.560 nan 8.290 nan 0.000 0.463 241 A N 0.975 123.838 122.820 0.072 0.000 2.042 241 A HA -0.166 4.156 4.320 0.003 0.000 0.222 241 A C 1.934 179.505 177.584 -0.021 0.000 1.167 241 A CA 1.689 53.753 52.037 0.045 0.000 0.649 241 A CB -0.956 18.068 19.000 0.040 0.000 0.809 241 A HN 0.678 nan 8.150 nan 0.000 0.457 242 I N -5.392 115.052 120.570 -0.210 0.000 3.928 242 I HA 0.353 4.525 4.170 0.003 0.000 0.335 242 I C -0.381 175.425 176.117 -0.518 0.000 1.325 242 I CA -0.528 60.485 61.300 -0.479 0.000 1.107 242 I CB 0.071 37.519 38.000 -0.921 0.000 1.014 242 I HN 0.087 nan 8.210 nan 0.000 0.400 243 Y N 0.670 120.944 120.300 -0.043 0.000 2.485 243 Y HA 0.344 4.896 4.550 0.003 0.000 0.345 243 Y C 0.720 176.625 175.900 0.009 0.000 0.998 243 Y CA -0.930 57.154 58.100 -0.026 0.000 1.059 243 Y CB 1.796 40.245 38.460 -0.019 0.000 1.234 243 Y HN -0.097 nan 8.280 nan 0.000 0.461 244 D N 0.437 120.960 120.400 0.205 0.000 2.259 244 D HA 0.108 4.749 4.640 0.003 0.000 0.216 244 D C 0.059 176.412 176.300 0.088 0.000 0.961 244 D CA 0.729 54.803 54.000 0.124 0.000 0.878 244 D CB 0.564 41.429 40.800 0.108 0.000 1.009 244 D HN 0.615 nan 8.370 nan 0.000 0.490 245 R N -1.682 118.858 120.500 0.067 0.000 2.747 245 R HA 0.564 4.906 4.340 0.003 0.000 0.272 245 R C -1.906 174.362 176.300 -0.054 0.000 1.032 245 R CA -0.951 55.153 56.100 0.007 0.000 0.896 245 R CB 1.169 31.471 30.300 0.004 0.000 1.253 245 R HN -0.159 nan 8.270 nan 0.000 0.461 246 V N 0.963 120.821 119.914 -0.094 0.000 2.444 246 V HA 0.361 4.483 4.120 0.003 0.000 0.294 246 V C -0.634 175.379 176.094 -0.135 0.000 1.022 246 V CA -0.789 61.420 62.300 -0.152 0.000 0.850 246 V CB 1.505 33.221 31.823 -0.178 0.000 0.992 246 V HN 0.699 nan 8.190 nan 0.000 0.426 247 E N 3.516 123.628 120.200 -0.146 0.000 2.134 247 E HA 0.550 4.902 4.350 0.003 0.000 0.278 247 E C -1.160 175.338 176.600 -0.170 0.000 0.959 247 E CA -0.627 55.692 56.400 -0.136 0.000 0.783 247 E CB 2.371 31.999 29.700 -0.121 0.000 1.095 247 E HN 0.468 nan 8.360 nan 0.000 0.399 248 V N 4.535 124.351 119.914 -0.164 0.000 2.328 248 V HA 0.234 4.355 4.120 0.003 0.000 0.278 248 V C -0.533 175.460 176.094 -0.169 0.000 1.021 248 V CA -0.805 61.382 62.300 -0.187 0.000 0.838 248 V CB 0.790 32.501 31.823 -0.186 0.000 0.999 248 V HN 0.499 nan 8.190 nan 0.000 0.447 249 L N 6.177 127.290 121.223 -0.183 0.000 2.287 249 L HA 0.621 4.962 4.340 0.003 0.000 0.287 249 L C -0.241 176.519 176.870 -0.183 0.000 1.022 249 L CA 0.077 54.815 54.840 -0.170 0.000 0.814 249 L CB 1.033 42.990 42.059 -0.170 0.000 1.217 249 L HN 0.486 nan 8.230 nan 0.000 0.420 250 K N 4.480 124.775 120.400 -0.175 0.000 2.164 250 K HA 0.847 5.168 4.320 0.003 0.000 0.258 250 K C 0.036 176.506 176.600 -0.218 0.000 0.951 250 K CA -0.217 55.945 56.287 -0.208 0.000 0.844 250 K CB 1.813 34.178 32.500 -0.224 0.000 1.099 250 K HN 0.965 nan 8.250 nan 0.000 0.435 251 G N 1.188 109.840 108.800 -0.246 0.000 2.253 251 G HA2 0.040 4.002 3.960 0.003 0.000 0.190 251 G HA3 0.040 4.002 3.960 0.003 0.000 0.190 251 G C -1.566 173.185 174.900 -0.249 0.000 1.274 251 G CA -0.312 44.643 45.100 -0.243 0.000 1.275 251 G HN 0.707 nan 8.290 nan 0.000 0.518 252 A N 0.397 123.077 122.820 -0.233 0.000 2.273 252 A HA 0.760 5.081 4.320 0.003 0.000 0.315 252 A C 0.658 178.115 177.584 -0.212 0.000 1.256 252 A CA 0.927 52.813 52.037 -0.253 0.000 0.851 252 A CB 0.872 19.706 19.000 -0.277 0.000 1.172 252 A HN 2.140 nan 8.150 nan 0.000 0.508 253 T N -0.134 114.287 114.554 -0.222 0.000 3.269 253 T HA 0.304 4.655 4.350 0.003 0.000 0.269 253 T C 1.179 175.745 174.700 -0.223 0.000 0.993 253 T CA 0.543 62.518 62.100 -0.207 0.000 0.909 253 T CB 0.109 68.847 68.868 -0.217 0.000 1.115 253 T HN 0.720 nan 8.240 nan 0.000 0.543 254 G N 1.553 110.223 108.800 -0.217 0.000 2.443 254 G HA2 -0.045 3.917 3.960 0.003 0.000 0.219 254 G HA3 -0.045 3.917 3.960 0.003 0.000 0.219 254 G C 1.221 175.986 174.900 -0.224 0.000 1.131 254 G CA 0.765 45.730 45.100 -0.226 0.000 0.775 254 G HN 0.533 nan 8.290 nan 0.000 0.547 255 L N 0.166 121.254 121.223 -0.225 0.000 1.990 255 L HA 0.017 4.359 4.340 0.003 0.000 0.213 255 L C 2.396 179.050 176.870 -0.361 0.000 1.072 255 L CA 1.778 56.459 54.840 -0.265 0.000 0.755 255 L CB -0.303 41.556 42.059 -0.332 0.000 0.889 255 L HN 0.203 nan 8.230 nan 0.000 0.432 256 L N -2.086 118.903 121.223 -0.390 0.000 2.513 256 L HA 0.034 4.376 4.340 0.003 0.000 0.222 256 L C 2.051 178.727 176.870 -0.324 0.000 1.096 256 L CA 0.557 55.121 54.840 -0.460 0.000 0.857 256 L CB -0.335 41.457 42.059 -0.446 0.000 1.026 256 L HN 0.203 nan 8.230 nan 0.000 0.469 257 T N -0.400 113.995 114.554 -0.265 0.000 2.896 257 T HA 0.172 4.523 4.350 0.003 0.000 0.263 257 T C 1.101 175.685 174.700 -0.194 0.000 1.050 257 T CA 1.003 62.973 62.100 -0.217 0.000 1.140 257 T CB 0.022 68.758 68.868 -0.220 0.000 0.877 257 T HN 0.573 nan 8.240 nan 0.000 0.457 258 G N 1.055 109.728 108.800 -0.212 0.000 2.527 258 G HA2 0.092 4.053 3.960 0.003 0.000 0.227 258 G HA3 0.092 4.053 3.960 0.003 0.000 0.227 258 G C 0.054 174.742 174.900 -0.354 0.000 1.291 258 G CA -0.507 44.476 45.100 -0.195 0.000 0.904 258 G HN 0.829 nan 8.290 nan 0.000 0.577 259 A N -0.299 122.241 122.820 -0.467 0.000 2.520 259 A HA 0.752 5.074 4.320 0.003 0.000 0.235 259 A C 1.319 178.613 177.584 -0.482 0.000 1.065 259 A CA 2.003 53.551 52.037 -0.815 0.000 0.764 259 A CB -0.006 18.437 19.000 -0.929 0.000 1.002 259 A HN 2.811 nan 8.150 nan 0.000 0.502 260 G N -0.389 108.124 108.800 -0.479 0.000 2.320 260 G HA2 0.546 4.507 3.960 0.003 0.000 0.297 260 G HA3 0.546 4.507 3.960 0.003 0.000 0.297 260 G C -0.257 174.489 174.900 -0.257 0.000 1.344 260 G CA 0.017 44.942 45.100 -0.292 0.000 0.851 260 G HN 1.882 nan 8.290 nan 0.000 0.567 261 S N -1.091 114.495 115.700 -0.190 0.000 2.608 261 S HA 0.679 5.151 4.470 0.003 0.000 0.261 261 S C 0.705 175.163 174.600 -0.237 0.000 1.314 261 S CA -0.274 57.831 58.200 -0.159 0.000 0.992 261 S CB 0.833 63.975 63.200 -0.096 0.000 0.935 261 S HN 0.744 nan 8.310 nan 0.000 0.564 262 L N 0.999 122.032 121.223 -0.316 0.000 2.642 262 L HA 0.611 4.953 4.340 0.003 0.000 0.229 262 L C 1.865 178.492 176.870 -0.404 0.000 1.179 262 L CA 0.667 55.175 54.840 -0.553 0.000 0.834 262 L CB -0.160 41.185 42.059 -1.190 0.000 1.515 262 L HN 1.113 nan 8.230 nan 0.000 0.512 263 G N -0.305 108.241 108.800 -0.423 0.000 4.890 263 G HA2 -0.152 3.809 3.960 0.003 0.000 0.221 263 G HA3 -0.152 3.809 3.960 0.003 0.000 0.221 263 G C -0.094 174.692 174.900 -0.190 0.000 1.472 263 G CA 0.291 45.289 45.100 -0.171 0.000 0.962 263 G HN 1.208 nan 8.290 nan 0.000 0.671 264 A N -1.614 121.092 122.820 -0.190 0.000 2.609 264 A HA 0.846 5.167 4.320 0.003 0.000 0.291 264 A C -0.608 176.825 177.584 -0.251 0.000 1.096 264 A CA 0.875 52.784 52.037 -0.214 0.000 0.684 264 A CB 1.439 20.320 19.000 -0.198 0.000 1.282 264 A HN 1.193 nan 8.150 nan 0.000 0.412 265 T N 0.994 115.390 114.554 -0.263 0.000 2.861 265 T HA 0.603 4.955 4.350 0.003 0.000 0.287 265 T C -0.762 173.744 174.700 -0.324 0.000 1.003 265 T CA -0.078 61.842 62.100 -0.301 0.000 0.977 265 T CB 0.708 69.420 68.868 -0.259 0.000 0.996 265 T HN 0.438 nan 8.240 nan 0.000 0.448 266 I N 3.738 124.057 120.570 -0.417 0.000 2.339 266 I HA 0.422 4.594 4.170 0.003 0.000 0.290 266 I C -0.126 175.794 176.117 -0.329 0.000 0.994 266 I CA -0.723 60.349 61.300 -0.381 0.000 1.191 266 I CB 1.299 39.014 38.000 -0.474 0.000 1.343 266 I HN 0.450 nan 8.210 nan 0.000 0.458 267 N N 7.056 125.587 118.700 -0.281 0.000 2.483 267 N HA 0.509 5.251 4.740 0.003 0.000 0.267 267 N C -1.512 173.839 175.510 -0.265 0.000 0.998 267 N CA -0.438 52.447 53.050 -0.274 0.000 0.918 267 N CB 1.037 39.398 38.487 -0.211 0.000 1.215 267 N HN 0.354 nan 8.380 nan 0.000 0.500 268 L N 3.439 124.456 121.223 -0.344 0.000 2.307 268 L HA 0.530 4.872 4.340 0.003 0.000 0.282 268 L C -0.225 176.574 176.870 -0.119 0.000 1.051 268 L CA -0.512 54.105 54.840 -0.370 0.000 0.804 268 L CB 1.012 42.612 42.059 -0.764 0.000 1.197 268 L HN 0.458 nan 8.230 nan 0.000 0.431 269 I N 3.028 123.601 120.570 0.005 0.000 2.362 269 I HA 0.389 4.560 4.170 0.003 0.000 0.289 269 I C 0.410 176.704 176.117 0.294 0.000 0.994 269 I CA -0.548 60.828 61.300 0.125 0.000 1.158 269 I CB 1.343 39.380 38.000 0.062 0.000 1.315 269 I HN 0.592 nan 8.210 nan 0.000 0.451 270 R N 4.003 124.642 120.500 0.232 0.000 2.641 270 R HA 0.215 4.556 4.340 0.003 0.000 0.269 270 R C 0.146 176.513 176.300 0.112 0.000 1.074 270 R CA -0.549 55.603 56.100 0.088 0.000 1.133 270 R CB 0.932 31.204 30.300 -0.047 0.000 1.029 270 R HN 0.438 nan 8.270 nan 0.000 0.488 271 K N 2.205 122.653 120.400 0.080 0.000 2.436 271 K HA 0.019 4.341 4.320 0.003 0.000 0.275 271 K C 0.028 176.773 176.600 0.242 0.000 0.999 271 K CA 0.554 56.940 56.287 0.165 0.000 0.980 271 K CB 0.547 33.154 32.500 0.179 0.000 0.919 271 K HN 0.294 nan 8.250 nan 0.000 0.484 272 K N 2.368 122.877 120.400 0.181 0.000 2.258 272 K HA 0.412 4.734 4.320 0.003 0.000 0.236 272 K C -2.480 174.189 176.600 0.115 0.000 1.008 272 K CA -2.119 54.268 56.287 0.166 0.000 0.869 272 K CB 1.324 33.911 32.500 0.144 0.000 1.171 272 K HN 0.301 nan 8.250 nan 0.000 0.447 273 P HA 0.072 nan 4.420 nan 0.000 0.274 273 P C -0.841 176.481 177.300 0.037 0.000 1.246 273 P CA -0.319 62.791 63.100 0.017 0.000 0.795 273 P CB 0.586 32.257 31.700 -0.048 0.000 1.006 274 T N -3.662 110.908 114.554 0.026 0.000 2.893 274 T HA 0.342 4.694 4.350 0.003 0.000 0.291 274 T C 0.895 175.638 174.700 0.072 0.000 1.028 274 T CA -0.538 61.618 62.100 0.092 0.000 0.995 274 T CB 0.778 69.695 68.868 0.083 0.000 1.051 274 T HN 0.341 nan 8.240 nan 0.000 0.470 275 H N 0.704 119.798 119.070 0.040 0.000 2.389 275 H HA 0.001 4.558 4.556 0.002 0.000 0.299 275 H C 1.152 176.517 175.328 0.062 0.000 1.081 275 H CA 1.203 57.275 56.048 0.040 0.000 1.345 275 H CB 0.404 30.189 29.762 0.039 0.000 1.393 275 H HN 0.733 nan 8.280 nan 0.000 0.520 276 E N 1.401 121.722 120.200 0.202 0.000 2.283 276 E HA -0.004 4.347 4.350 0.003 0.000 0.267 276 E C -0.779 175.931 176.600 0.184 0.000 1.045 276 E CA -0.905 55.603 56.400 0.181 0.000 0.884 276 E CB 0.852 30.651 29.700 0.166 0.000 1.106 276 E HN 0.043 nan 8.360 nan 0.000 0.408 277 F N 2.531 122.523 119.950 0.070 0.000 2.438 277 F HA 0.243 4.773 4.527 0.004 0.000 0.360 277 F C -0.005 175.852 175.800 0.094 0.000 1.118 277 F CA -0.310 57.729 58.000 0.065 0.000 1.164 277 F CB 0.344 39.376 39.000 0.052 0.000 1.131 277 F HN 0.461 nan 8.300 nan 0.000 0.527 278 K N 5.204 125.320 120.400 -0.473 0.000 2.426 278 K HA 0.945 5.267 4.320 0.003 0.000 0.251 278 K C -1.039 175.255 176.600 -0.511 0.000 0.941 278 K CA -0.983 55.063 56.287 -0.402 0.000 0.808 278 K CB 2.196 34.621 32.500 -0.125 0.000 1.265 278 K HN 0.819 nan 8.250 nan 0.000 0.432 279 G N 1.627 110.193 108.800 -0.390 0.000 2.466 279 G HA2 0.388 4.350 3.960 0.003 0.000 0.291 279 G HA3 0.388 4.350 3.960 0.003 0.000 0.291 279 G C -1.884 172.493 174.900 -0.871 0.000 1.460 279 G CA -0.783 44.089 45.100 -0.381 0.000 0.791 279 G HN 0.937 nan 8.290 nan 0.000 0.505 280 H N -2.066 116.544 119.070 -0.767 0.000 2.946 280 H HA 0.805 5.363 4.556 0.002 0.000 0.365 280 H C -1.610 173.444 175.328 -0.457 0.000 1.197 280 H CA -1.060 54.511 56.048 -0.796 0.000 1.131 280 H CB 1.656 31.193 29.762 -0.375 0.000 1.849 280 H HN 0.528 nan 8.280 nan 0.000 0.555 281 V N 0.964 120.739 119.914 -0.232 0.000 2.680 281 V HA 0.345 4.466 4.120 0.003 0.000 0.309 281 V C -0.242 175.955 176.094 0.171 0.000 1.052 281 V CA -0.676 61.636 62.300 0.020 0.000 0.908 281 V CB 1.733 33.638 31.823 0.137 0.000 1.001 281 V HN 0.904 nan 8.190 nan 0.000 0.431 282 E N 3.671 123.985 120.200 0.191 0.000 2.260 282 E HA 0.614 4.966 4.350 0.003 0.000 0.266 282 E C -1.884 174.814 176.600 0.163 0.000 0.887 282 E CA -0.503 56.008 56.400 0.185 0.000 0.777 282 E CB 1.592 31.403 29.700 0.186 0.000 1.205 282 E HN 0.649 nan 8.360 nan 0.000 0.414 283 L N 3.716 125.035 121.223 0.161 0.000 2.313 283 L HA 0.783 5.124 4.340 0.003 0.000 0.283 283 L C 0.242 177.196 176.870 0.140 0.000 1.013 283 L CA -0.852 54.081 54.840 0.156 0.000 0.816 283 L CB 1.962 44.119 42.059 0.163 0.000 1.236 283 L HN 0.659 nan 8.230 nan 0.000 0.419 284 G N 1.895 110.777 108.800 0.136 0.000 2.571 284 G HA2 0.809 4.770 3.960 0.003 0.000 0.304 284 G HA3 0.809 4.770 3.960 0.003 0.000 0.304 284 G C -1.656 173.307 174.900 0.106 0.000 1.314 284 G CA -0.481 44.690 45.100 0.117 0.000 0.975 284 G HN 0.720 nan 8.290 nan 0.000 0.485 285 A N 0.086 122.953 122.820 0.078 0.000 2.427 285 A HA 0.977 5.299 4.320 0.003 0.000 0.298 285 A C -0.066 177.509 177.584 -0.015 0.000 1.036 285 A CA -0.019 51.990 52.037 -0.047 0.000 0.701 285 A CB 1.858 20.839 19.000 -0.033 0.000 1.250 285 A HN 1.901 nan 8.150 nan 0.000 0.412 286 G N -0.131 108.585 108.800 -0.140 0.000 2.695 286 G HA2 0.556 4.517 3.960 0.003 0.000 0.290 286 G HA3 0.556 4.517 3.960 0.003 0.000 0.290 286 G C -0.420 174.361 174.900 -0.199 0.000 1.410 286 G CA -0.422 44.629 45.100 -0.082 0.000 0.844 286 G HN 0.926 nan 8.290 nan 0.000 0.478 287 S N 0.744 116.269 115.700 -0.291 0.000 2.599 287 S HA 0.129 4.601 4.470 0.003 0.000 0.303 287 S C -0.013 174.372 174.600 -0.358 0.000 1.267 287 S CA 0.825 58.647 58.200 -0.631 0.000 1.055 287 S CB -0.263 62.137 63.200 -1.334 0.000 0.790 287 S HN 0.697 nan 8.310 nan 0.000 0.500 288 W N 2.066 123.386 121.300 0.034 0.000 5.324 288 W HA -0.169 4.493 4.660 0.003 0.000 0.404 288 W C -0.173 176.346 176.519 0.001 0.000 1.566 288 W CA 0.129 57.516 57.345 0.069 0.000 0.927 288 W CB -2.815 26.737 29.460 0.153 0.000 2.757 288 W HN 0.920 nan 8.180 nan 0.000 1.382 289 D N -0.516 119.868 120.400 -0.025 0.000 2.697 289 D HA -0.218 4.424 4.640 0.003 0.000 0.238 289 D C 0.164 176.316 176.300 -0.247 0.000 1.152 289 D CA 1.341 55.214 54.000 -0.211 0.000 0.666 289 D CB -1.123 39.567 40.800 -0.182 0.000 1.037 289 D HN 0.300 nan 8.370 nan 0.000 0.423 290 N N 0.896 119.420 118.700 -0.294 0.000 2.521 290 N HA 0.156 4.898 4.740 0.003 0.000 0.236 290 N C -1.312 174.042 175.510 -0.260 0.000 1.067 290 N CA -0.039 52.928 53.050 -0.137 0.000 0.939 290 N CB 0.103 38.586 38.487 -0.007 0.000 1.201 290 N HN 0.093 nan 8.380 nan 0.000 0.511 291 Y N 1.847 122.151 120.300 0.007 0.000 2.377 291 Y HA 0.492 5.043 4.550 0.003 0.000 0.339 291 Y C 0.676 176.561 175.900 -0.024 0.000 1.011 291 Y CA -0.823 57.278 58.100 0.003 0.000 1.093 291 Y CB 1.547 40.009 38.460 0.003 0.000 1.201 291 Y HN 0.326 nan 8.280 nan 0.000 0.455 292 R N 1.564 122.164 120.500 0.167 0.000 2.643 292 R HA 0.739 5.081 4.340 0.003 0.000 0.269 292 R C -1.784 174.596 176.300 0.133 0.000 1.037 292 R CA -0.628 55.529 56.100 0.095 0.000 0.894 292 R CB 1.795 32.128 30.300 0.055 0.000 1.238 292 R HN 0.742 nan 8.270 nan 0.000 0.459 293 S N 1.748 117.529 115.700 0.136 0.000 2.548 293 S HA 0.489 4.961 4.470 0.003 0.000 0.276 293 S C -1.202 173.478 174.600 0.133 0.000 1.129 293 S CA -0.759 57.534 58.200 0.155 0.000 0.931 293 S CB 2.069 65.382 63.200 0.189 0.000 1.068 293 S HN 0.726 nan 8.310 nan 0.000 0.480 294 E N 1.627 121.899 120.200 0.120 0.000 2.308 294 E HA 0.585 4.937 4.350 0.003 0.000 0.275 294 E C -2.234 174.394 176.600 0.046 0.000 0.890 294 E CA -0.889 55.565 56.400 0.089 0.000 0.754 294 E CB 1.737 31.503 29.700 0.110 0.000 1.207 294 E HN 0.583 nan 8.360 nan 0.000 0.426 295 L N 4.016 125.238 121.223 -0.002 0.000 2.406 295 L HA 0.534 4.876 4.340 0.003 0.000 0.272 295 L C -1.808 174.989 176.870 -0.120 0.000 0.980 295 L CA -0.398 54.411 54.840 -0.051 0.000 0.831 295 L CB 1.654 43.733 42.059 0.034 0.000 1.253 295 L HN 0.541 nan 8.230 nan 0.000 0.406 296 D N 3.957 124.175 120.400 -0.303 0.000 2.620 296 D HA 0.592 5.234 4.640 0.003 0.000 0.252 296 D C -1.602 174.583 176.300 -0.191 0.000 1.207 296 D CA -0.043 53.790 54.000 -0.279 0.000 0.884 296 D CB 1.859 42.356 40.800 -0.506 0.000 1.262 296 D HN 0.262 nan 8.370 nan 0.000 0.552 297 V N 2.221 122.088 119.914 -0.078 0.000 2.656 297 V HA 0.784 4.906 4.120 0.003 0.000 0.307 297 V C -0.193 175.848 176.094 -0.088 0.000 1.051 297 V CA -0.781 61.478 62.300 -0.068 0.000 0.893 297 V CB 1.663 33.492 31.823 0.010 0.000 0.999 297 V HN 0.563 nan 8.190 nan 0.000 0.426 298 S N 2.357 117.960 115.700 -0.163 0.000 2.541 298 S HA 0.973 5.444 4.470 0.003 0.000 0.271 298 S C -0.436 174.147 174.600 -0.028 0.000 1.133 298 S CA 0.381 58.535 58.200 -0.078 0.000 0.876 298 S CB 1.970 65.139 63.200 -0.051 0.000 1.105 298 S HN 1.893 nan 8.310 nan 0.000 0.470 299 G N 2.438 111.257 108.800 0.031 0.000 2.324 299 G HA2 0.406 4.367 3.960 0.003 0.000 0.293 299 G HA3 0.406 4.367 3.960 0.003 0.000 0.293 299 G C -3.604 171.305 174.900 0.015 0.000 1.297 299 G CA -0.637 44.519 45.100 0.094 0.000 0.853 299 G HN 0.608 nan 8.290 nan 0.000 0.535 300 P HA 0.378 nan 4.420 nan 0.000 0.275 300 P C 0.353 177.614 177.300 -0.065 0.000 1.228 300 P CA -0.234 62.828 63.100 -0.064 0.000 0.786 300 P CB 1.481 33.151 31.700 -0.051 0.000 0.927 301 L N 0.851 122.007 121.223 -0.112 0.000 2.638 301 L HA 0.151 4.493 4.340 0.003 0.000 0.232 301 L C 1.071 177.880 176.870 -0.102 0.000 1.099 301 L CA 0.467 55.243 54.840 -0.105 0.000 0.883 301 L CB 0.015 41.993 42.059 -0.134 0.000 1.136 301 L HN 0.433 nan 8.230 nan 0.000 0.492 302 T N -3.932 110.554 114.554 -0.113 0.000 2.885 302 T HA 0.186 4.538 4.350 0.003 0.000 0.285 302 T C 0.882 175.490 174.700 -0.152 0.000 1.019 302 T CA -0.766 61.267 62.100 -0.112 0.000 1.010 302 T CB 1.759 70.571 68.868 -0.093 0.000 1.022 302 T HN 0.089 nan 8.240 nan 0.000 0.466 303 E N 1.179 121.255 120.200 -0.207 0.000 2.401 303 E HA -0.133 4.219 4.350 0.003 0.000 0.199 303 E C 1.519 177.866 176.600 -0.422 0.000 1.023 303 E CA 1.241 57.417 56.400 -0.373 0.000 0.859 303 E CB -0.465 28.902 29.700 -0.555 0.000 0.780 303 E HN 0.712 nan 8.360 nan 0.000 0.523 304 S N -0.669 114.882 115.700 -0.247 0.000 2.535 304 S HA 0.336 4.807 4.470 0.003 0.000 0.214 304 S C 1.652 176.204 174.600 -0.080 0.000 0.980 304 S CA 0.484 58.590 58.200 -0.156 0.000 0.907 304 S CB 0.157 63.303 63.200 -0.090 0.000 0.790 304 S HN 0.458 nan 8.310 nan 0.000 0.510 305 G N 3.109 111.852 108.800 -0.095 0.000 2.179 305 G HA2 -0.384 3.578 3.960 0.003 0.000 0.260 305 G HA3 -0.384 3.578 3.960 0.003 0.000 0.260 305 G C 0.734 175.568 174.900 -0.111 0.000 0.977 305 G CA 0.412 45.462 45.100 -0.085 0.000 0.641 305 G HN 0.763 nan 8.290 nan 0.000 0.533 306 N N 0.200 118.857 118.700 -0.071 0.000 2.585 306 N HA 0.104 4.845 4.740 0.003 0.000 0.188 306 N C 0.396 175.850 175.510 -0.094 0.000 1.102 306 N CA 1.514 54.534 53.050 -0.050 0.000 0.920 306 N CB 0.054 38.540 38.487 -0.002 0.000 0.963 306 N HN 0.681 nan 8.380 nan 0.000 0.447 307 V N -0.055 119.754 119.914 -0.175 0.000 2.733 307 V HA 0.483 4.605 4.120 0.003 0.000 0.306 307 V C -0.473 175.443 176.094 -0.297 0.000 1.084 307 V CA -0.873 61.231 62.300 -0.327 0.000 0.905 307 V CB 2.127 33.746 31.823 -0.340 0.000 1.010 307 V HN 0.102 nan 8.190 nan 0.000 0.424 308 R N 1.639 121.936 120.500 -0.338 0.000 2.707 308 R HA 0.824 5.166 4.340 0.003 0.000 0.272 308 R C -0.410 175.750 176.300 -0.234 0.000 1.011 308 R CA -0.612 55.340 56.100 -0.247 0.000 0.893 308 R CB 2.624 32.770 30.300 -0.257 0.000 1.233 308 R HN 0.954 nan 8.270 nan 0.000 0.464 309 G N 0.719 109.425 108.800 -0.156 0.000 2.672 309 G HA2 0.680 4.642 3.960 0.003 0.000 0.292 309 G HA3 0.680 4.642 3.960 0.003 0.000 0.292 309 G C -1.701 173.141 174.900 -0.096 0.000 1.375 309 G CA -0.590 44.424 45.100 -0.143 0.000 0.890 309 G HN 0.428 nan 8.290 nan 0.000 0.476 310 R N -0.626 119.803 120.500 -0.120 0.000 2.698 310 R HA 0.739 5.081 4.340 0.003 0.000 0.275 310 R C -1.308 174.889 176.300 -0.170 0.000 1.001 310 R CA -0.531 55.508 56.100 -0.102 0.000 0.896 310 R CB 2.162 32.436 30.300 -0.042 0.000 1.218 310 R HN 1.038 nan 8.270 nan 0.000 0.462 311 A N 2.726 125.489 122.820 -0.096 0.000 2.488 311 A HA 0.665 4.987 4.320 0.003 0.000 0.298 311 A C -1.631 175.965 177.584 0.020 0.000 1.044 311 A CA -0.575 51.416 52.037 -0.078 0.000 0.693 311 A CB 2.013 20.987 19.000 -0.043 0.000 1.272 311 A HN 0.375 nan 8.150 nan 0.000 0.402 312 V N 0.831 120.812 119.914 0.113 0.000 2.709 312 V HA 0.844 4.966 4.120 0.003 0.000 0.308 312 V C 0.095 176.281 176.094 0.152 0.000 1.062 312 V CA -0.151 62.230 62.300 0.135 0.000 0.901 312 V CB 1.838 33.773 31.823 0.187 0.000 1.003 312 V HN 1.578 nan 8.190 nan 0.000 0.425 313 A N 3.180 126.057 122.820 0.095 0.000 2.371 313 A HA 1.033 5.355 4.320 0.003 0.000 0.311 313 A C -0.480 177.118 177.584 0.023 0.000 1.068 313 A CA -0.165 51.909 52.037 0.062 0.000 0.744 313 A CB 1.830 20.909 19.000 0.132 0.000 1.239 313 A HN 1.702 nan 8.150 nan 0.000 0.435 314 A N 0.992 123.790 122.820 -0.036 0.000 2.520 314 A HA 0.737 5.059 4.320 0.003 0.000 0.298 314 A C -1.773 175.855 177.584 0.072 0.000 1.051 314 A CA -0.388 51.668 52.037 0.032 0.000 0.690 314 A CB 1.206 20.223 19.000 0.029 0.000 1.281 314 A HN 1.782 nan 8.150 nan 0.000 0.402 315 Y N 0.685 120.977 120.300 -0.014 0.000 2.457 315 Y HA 0.690 5.242 4.550 0.003 0.000 0.343 315 Y C -0.688 175.244 175.900 0.053 0.000 0.994 315 Y CA -0.441 57.662 58.100 0.004 0.000 1.031 315 Y CB 2.034 40.504 38.460 0.015 0.000 1.246 315 Y HN 0.840 nan 8.280 nan 0.000 0.449 316 Q N 4.101 123.519 119.800 -0.636 0.000 2.331 316 Q HA 0.394 4.736 4.340 0.003 0.000 0.272 316 Q C -2.330 173.319 176.000 -0.586 0.000 1.062 316 Q CA -0.751 54.781 55.803 -0.452 0.000 0.806 316 Q CB 1.841 30.489 28.738 -0.150 0.000 1.312 316 Q HN 0.713 nan 8.270 nan 0.000 0.431 317 D N 3.174 123.381 120.400 -0.322 0.000 2.575 317 D HA 0.300 4.942 4.640 0.003 0.000 0.250 317 D C -1.766 174.581 176.300 0.077 0.000 1.279 317 D CA -0.330 53.592 54.000 -0.130 0.000 0.925 317 D CB 1.036 41.791 40.800 -0.075 0.000 1.261 317 D HN 0.609 nan 8.370 nan 0.000 0.567 318 K N 2.244 122.714 120.400 0.117 0.000 2.464 318 K HA 0.513 4.834 4.320 0.003 0.000 0.253 318 K C -0.642 176.160 176.600 0.337 0.000 0.933 318 K CA -0.674 55.729 56.287 0.193 0.000 0.801 318 K CB 1.791 34.399 32.500 0.180 0.000 1.271 318 K HN 0.139 nan 8.250 nan 0.000 0.430 319 H N 0.521 119.692 119.070 0.169 0.000 2.469 319 H HA 0.503 5.061 4.556 0.003 0.000 0.289 319 H C 0.212 175.692 175.328 0.252 0.000 1.595 319 H CA -0.346 55.807 56.048 0.175 0.000 1.536 319 H CB 0.941 30.808 29.762 0.176 0.000 1.726 319 H HN 0.870 nan 8.280 nan 0.000 0.794 320 S N -1.010 114.866 115.700 0.293 0.000 2.672 320 S HA 0.182 4.653 4.470 0.003 0.000 0.271 320 S C 0.580 174.880 174.600 -0.500 0.000 1.171 320 S CA -0.302 57.904 58.200 0.010 0.000 0.817 320 S CB -0.123 62.979 63.200 -0.164 0.000 1.150 320 S HN 0.478 nan 8.310 nan 0.000 0.478 321 F N 0.783 119.933 119.950 -1.332 0.000 2.269 321 F HA 0.338 4.867 4.527 0.003 0.000 0.301 321 F C 0.910 176.363 175.800 -0.579 0.000 1.082 321 F CA 0.155 57.276 58.000 -1.466 0.000 1.360 321 F CB -0.643 37.345 39.000 -1.688 0.000 1.041 321 F HN 0.331 nan 8.300 nan 0.000 0.512 322 M N 2.000 120.868 119.600 -1.221 0.000 2.200 322 M HA 0.077 4.559 4.480 0.003 0.000 0.355 322 M C -0.098 175.937 176.300 -0.442 0.000 1.283 322 M CA -0.266 54.578 55.300 -0.760 0.000 1.124 322 M CB 0.414 32.484 32.600 -0.884 0.000 1.625 322 M HN 0.035 nan 8.290 nan 0.000 0.463 323 D N 2.709 122.910 120.400 -0.332 0.000 2.419 323 D HA -0.105 4.537 4.640 0.003 0.000 0.236 323 D C 0.687 176.694 176.300 -0.488 0.000 1.165 323 D CA 0.859 54.717 54.000 -0.238 0.000 0.882 323 D CB 0.482 41.230 40.800 -0.088 0.000 1.201 323 D HN 0.782 nan 8.370 nan 0.000 0.443 324 H N 0.964 119.946 119.070 -0.147 0.000 2.529 324 H HA -0.302 4.256 4.556 0.003 0.000 0.319 324 H C -1.423 173.838 175.328 -0.113 0.000 1.072 324 H CA 0.674 56.621 56.048 -0.168 0.000 1.126 324 H CB -2.652 26.983 29.762 -0.211 0.000 1.474 324 H HN 0.430 nan 8.280 nan 0.000 0.406 325 Y N 1.037 121.130 120.300 -0.346 0.000 2.361 325 Y HA 0.474 5.026 4.550 0.003 0.000 0.337 325 Y C -0.473 175.287 175.900 -0.234 0.000 0.965 325 Y CA -0.557 57.381 58.100 -0.269 0.000 1.091 325 Y CB 1.536 39.816 38.460 -0.300 0.000 1.182 325 Y HN 0.555 nan 8.280 nan 0.000 0.450 326 E N 5.266 125.012 120.200 -0.756 0.000 2.393 326 E HA 0.643 4.995 4.350 0.003 0.000 0.273 326 E C -1.751 174.477 176.600 -0.619 0.000 0.918 326 E CA -1.431 54.652 56.400 -0.528 0.000 0.773 326 E CB 2.587 32.174 29.700 -0.189 0.000 1.275 326 E HN 0.660 nan 8.360 nan 0.000 0.451 327 R N 1.251 121.602 120.500 -0.249 0.000 2.538 327 R HA 0.332 4.674 4.340 0.003 0.000 0.292 327 R C -1.327 174.962 176.300 -0.018 0.000 1.008 327 R CA -0.706 55.317 56.100 -0.129 0.000 0.896 327 R CB 1.489 31.782 30.300 -0.012 0.000 1.187 327 R HN 0.527 nan 8.270 nan 0.000 0.440 328 K N 2.664 123.069 120.400 0.009 0.000 2.240 328 K HA 0.245 4.567 4.320 0.003 0.000 0.271 328 K C -0.564 176.060 176.600 0.041 0.000 1.018 328 K CA -0.562 55.736 56.287 0.018 0.000 0.874 328 K CB 1.966 34.559 32.500 0.155 0.000 1.098 328 K HN 0.604 nan 8.250 nan 0.000 0.458 329 T N -0.804 113.727 114.554 -0.039 0.000 2.863 329 T HA 0.449 4.801 4.350 0.003 0.000 0.285 329 T C -0.552 174.198 174.700 0.083 0.000 1.009 329 T CA -0.606 61.511 62.100 0.029 0.000 0.989 329 T CB 1.435 70.313 68.868 0.016 0.000 1.004 329 T HN 0.276 nan 8.240 nan 0.000 0.455 330 S N 1.967 117.740 115.700 0.123 0.000 2.594 330 S HA 0.693 5.165 4.470 0.003 0.000 0.296 330 S C -0.890 173.691 174.600 -0.032 0.000 1.124 330 S CA -0.708 57.566 58.200 0.123 0.000 1.011 330 S CB 1.397 64.744 63.200 0.244 0.000 1.016 330 S HN 1.111 nan 8.310 nan 0.000 0.485 331 V N 4.458 124.265 119.914 -0.178 0.000 2.709 331 V HA 0.804 4.926 4.120 0.003 0.000 0.308 331 V C -2.280 173.621 176.094 -0.322 0.000 1.062 331 V CA -0.427 61.783 62.300 -0.150 0.000 0.901 331 V CB 1.477 33.273 31.823 -0.045 0.000 1.003 331 V HN 0.821 nan 8.190 nan 0.000 0.425 332 Y N 5.593 126.062 120.300 0.283 0.000 2.462 332 Y HA 0.814 5.366 4.550 0.002 0.000 0.346 332 Y C -0.803 175.274 175.900 0.295 0.000 0.976 332 Y CA -0.765 57.480 58.100 0.243 0.000 1.044 332 Y CB 2.218 40.798 38.460 0.200 0.000 1.230 332 Y HN 0.844 nan 8.280 nan 0.000 0.455 333 Y N 0.612 121.048 120.300 0.226 0.000 2.480 333 Y HA 0.722 5.274 4.550 0.003 0.000 0.329 333 Y C -1.111 174.851 175.900 0.104 0.000 1.127 333 Y CA -1.225 56.960 58.100 0.142 0.000 1.037 333 Y CB 1.966 40.469 38.460 0.071 0.000 1.320 333 Y HN 0.726 nan 8.280 nan 0.000 0.446 334 G N 5.385 113.907 108.800 -0.462 0.000 2.719 334 G HA2 0.665 4.627 3.960 0.003 0.000 0.298 334 G HA3 0.665 4.627 3.960 0.003 0.000 0.298 334 G C -2.370 172.209 174.900 -0.535 0.000 1.411 334 G CA -0.758 44.049 45.100 -0.488 0.000 0.991 334 G HN 0.870 nan 8.290 nan 0.000 0.509 335 I N 0.732 121.044 120.570 -0.430 0.000 2.841 335 I HA 0.642 4.814 4.170 0.003 0.000 0.298 335 I C -1.689 174.328 176.117 -0.166 0.000 1.304 335 I CA -1.162 59.988 61.300 -0.251 0.000 1.019 335 I CB 2.252 40.169 38.000 -0.138 0.000 1.282 335 I HN 0.422 nan 8.210 nan 0.000 0.432 336 L N 5.696 126.849 121.223 -0.116 0.000 2.401 336 L HA 0.569 4.911 4.340 0.003 0.000 0.266 336 L C -1.097 175.697 176.870 -0.127 0.000 0.991 336 L CA -0.535 54.197 54.840 -0.180 0.000 0.818 336 L CB 2.229 44.194 42.059 -0.156 0.000 1.321 336 L HN 0.510 nan 8.230 nan 0.000 0.413 337 E N 2.430 122.469 120.200 -0.269 0.000 2.244 337 E HA 0.441 4.793 4.350 0.003 0.000 0.260 337 E C -1.674 174.775 176.600 -0.252 0.000 0.884 337 E CA -0.406 55.917 56.400 -0.128 0.000 0.777 337 E CB 1.931 31.586 29.700 -0.075 0.000 1.197 337 E HN 0.248 nan 8.360 nan 0.000 0.416 338 F N 1.694 121.630 119.950 -0.024 0.000 2.436 338 F HA 0.278 4.807 4.527 0.003 0.000 0.340 338 F C 0.282 176.071 175.800 -0.018 0.000 1.113 338 F CA -0.939 57.044 58.000 -0.029 0.000 1.022 338 F CB 1.251 40.233 39.000 -0.031 0.000 1.128 338 F HN 0.212 nan 8.300 nan 0.000 0.466 339 D N 4.704 125.190 120.400 0.144 0.000 2.411 339 D HA 0.226 4.867 4.640 0.003 0.000 0.225 339 D C 1.174 177.527 176.300 0.087 0.000 1.156 339 D CA 0.039 54.097 54.000 0.096 0.000 0.874 339 D CB 1.299 42.138 40.800 0.065 0.000 1.034 339 D HN 0.489 nan 8.370 nan 0.000 0.502 340 L N 2.018 123.278 121.223 0.062 0.000 2.141 340 L HA -0.129 4.212 4.340 0.003 0.000 0.209 340 L C 0.563 177.439 176.870 0.009 0.000 1.094 340 L CA 0.979 55.830 54.840 0.019 0.000 0.763 340 L CB -0.392 41.651 42.059 -0.027 0.000 0.908 340 L HN 0.413 nan 8.230 nan 0.000 0.437 341 N N -4.059 114.651 118.700 0.018 0.000 3.179 341 N HA 0.213 4.955 4.740 0.003 0.000 0.250 341 N C -2.570 172.965 175.510 0.041 0.000 1.507 341 N CA -1.316 51.748 53.050 0.024 0.000 0.883 341 N CB 0.257 38.752 38.487 0.013 0.000 1.435 341 N HN -0.417 nan 8.380 nan 0.000 0.532 342 P HA 0.021 nan 4.420 nan 0.000 0.229 342 P C -0.519 176.818 177.300 0.062 0.000 1.150 342 P CA 1.167 64.298 63.100 0.052 0.000 0.765 342 P CB 0.076 31.803 31.700 0.045 0.000 0.783 343 D N -2.421 118.023 120.400 0.073 0.000 2.500 343 D HA 0.108 4.750 4.640 0.003 0.000 0.217 343 D C -0.206 176.195 176.300 0.169 0.000 1.159 343 D CA 0.526 54.588 54.000 0.103 0.000 0.828 343 D CB 0.676 41.550 40.800 0.123 0.000 1.039 343 D HN 0.040 nan 8.370 nan 0.000 0.512 344 T N 0.932 115.540 114.554 0.089 0.000 3.011 344 T HA 0.415 4.766 4.350 0.003 0.000 0.303 344 T C -0.547 174.175 174.700 0.036 0.000 0.997 344 T CA -0.509 61.608 62.100 0.028 0.000 1.007 344 T CB 2.198 70.995 68.868 -0.118 0.000 1.017 344 T HN -0.117 nan 8.240 nan 0.000 0.443 345 M N 4.179 123.810 119.600 0.052 0.000 2.321 345 M HA 0.691 5.172 4.480 0.003 0.000 0.315 345 M C -1.897 174.452 176.300 0.083 0.000 1.052 345 M CA -1.219 54.129 55.300 0.079 0.000 0.936 345 M CB 1.540 34.196 32.600 0.094 0.000 1.639 345 M HN 0.552 nan 8.290 nan 0.000 0.433 346 L N 4.723 126.017 121.223 0.118 0.000 2.313 346 L HA 0.632 4.973 4.340 0.003 0.000 0.283 346 L C -1.177 175.818 176.870 0.208 0.000 1.013 346 L CA 0.325 55.238 54.840 0.122 0.000 0.816 346 L CB 2.001 44.092 42.059 0.053 0.000 1.236 346 L HN 0.684 nan 8.230 nan 0.000 0.419 347 T N 5.135 119.797 114.554 0.181 0.000 2.792 347 T HA 0.622 4.973 4.350 0.003 0.000 0.280 347 T C -0.462 174.321 174.700 0.140 0.000 0.990 347 T CA -0.431 61.787 62.100 0.196 0.000 0.960 347 T CB 1.350 70.362 68.868 0.240 0.000 0.939 347 T HN 0.565 nan 8.240 nan 0.000 0.439 348 V N 0.720 120.674 119.914 0.066 0.000 2.769 348 V HA 1.099 5.221 4.120 0.003 0.000 0.312 348 V C 0.121 175.996 176.094 -0.366 0.000 1.058 348 V CA -0.604 61.616 62.300 -0.133 0.000 0.952 348 V CB 1.452 33.236 31.823 -0.065 0.000 1.019 348 V HN 1.095 nan 8.190 nan 0.000 0.445 349 G N 0.882 109.162 108.800 -0.868 0.000 2.601 349 G HA2 0.870 4.832 3.960 0.003 0.000 0.291 349 G HA3 0.870 4.832 3.960 0.003 0.000 0.291 349 G C -1.256 173.179 174.900 -0.774 0.000 1.456 349 G CA -0.252 44.278 45.100 -0.950 0.000 0.804 349 G HN 1.793 nan 8.290 nan 0.000 0.499 350 A N 0.576 123.304 122.820 -0.154 0.000 2.488 350 A HA 0.837 5.159 4.320 0.003 0.000 0.298 350 A C -1.329 176.472 177.584 0.362 0.000 1.044 350 A CA -0.311 51.796 52.037 0.116 0.000 0.693 350 A CB 1.994 21.020 19.000 0.042 0.000 1.272 350 A HN 1.323 nan 8.150 nan 0.000 0.402 351 D N -0.331 120.313 120.400 0.407 0.000 2.581 351 D HA 0.658 5.299 4.640 0.003 0.000 0.232 351 D C -1.002 175.514 176.300 0.359 0.000 1.143 351 D CA -0.484 53.760 54.000 0.407 0.000 0.881 351 D CB 1.247 42.221 40.800 0.290 0.000 1.500 351 D HN 0.641 nan 8.370 nan 0.000 0.458 352 Y N -0.322 120.103 120.300 0.210 0.000 2.513 352 Y HA 0.511 5.063 4.550 0.003 0.000 0.340 352 Y C -1.881 174.121 175.900 0.169 0.000 1.055 352 Y CA -0.618 57.603 58.100 0.203 0.000 1.020 352 Y CB 2.056 40.676 38.460 0.266 0.000 1.301 352 Y HN 0.658 nan 8.280 nan 0.000 0.453 353 Q N 4.465 123.947 119.800 -0.530 0.000 2.309 353 Q HA 0.325 4.667 4.340 0.003 0.000 0.273 353 Q C -2.470 173.255 176.000 -0.457 0.000 1.040 353 Q CA -0.751 54.821 55.803 -0.384 0.000 0.834 353 Q CB 2.008 30.660 28.738 -0.142 0.000 1.345 353 Q HN 0.766 nan 8.270 nan 0.000 0.414 354 D N 2.781 123.028 120.400 -0.255 0.000 2.549 354 D HA 0.309 4.951 4.640 0.003 0.000 0.251 354 D C -1.292 175.035 176.300 0.045 0.000 1.153 354 D CA -0.316 53.639 54.000 -0.075 0.000 0.861 354 D CB 1.141 41.964 40.800 0.039 0.000 1.207 354 D HN 0.537 nan 8.370 nan 0.000 0.543 355 N N 2.960 121.710 118.700 0.084 0.000 2.501 355 N HA 0.159 4.901 4.740 0.003 0.000 0.245 355 N C -1.106 174.488 175.510 0.141 0.000 0.974 355 N CA -0.416 52.694 53.050 0.100 0.000 0.941 355 N CB 1.654 40.194 38.487 0.088 0.000 1.122 355 N HN 0.338 nan 8.380 nan 0.000 0.507 356 D N 2.930 123.402 120.400 0.121 0.000 2.438 356 D HA 0.325 4.967 4.640 0.003 0.000 0.257 356 D C -2.516 173.827 176.300 0.071 0.000 1.148 356 D CA -1.653 52.422 54.000 0.124 0.000 0.902 356 D CB 1.937 42.810 40.800 0.122 0.000 1.062 356 D HN 0.229 nan 8.370 nan 0.000 0.518 357 P HA 0.511 nan 4.420 nan 0.000 0.286 357 P C -0.917 176.354 177.300 -0.049 0.000 1.292 357 P CA -0.776 62.284 63.100 -0.067 0.000 0.842 357 P CB 1.741 33.462 31.700 0.034 0.000 1.207 358 K N -0.982 119.304 120.400 -0.189 0.000 2.525 358 K HA 0.497 4.819 4.320 0.003 0.000 0.254 358 K C 0.242 176.792 176.600 -0.083 0.000 0.934 358 K CA -0.276 55.974 56.287 -0.062 0.000 0.802 358 K CB 1.526 33.995 32.500 -0.051 0.000 1.295 358 K HN 0.829 nan 8.250 nan 0.000 0.433 359 G N 1.167 110.004 108.800 0.062 0.000 2.160 359 G HA2 -0.258 3.704 3.960 0.003 0.000 0.244 359 G HA3 -0.258 3.704 3.960 0.003 0.000 0.244 359 G C 0.020 175.080 174.900 0.267 0.000 1.022 359 G CA 0.337 45.530 45.100 0.155 0.000 0.741 359 G HN 0.420 nan 8.290 nan 0.000 0.508 360 S N 0.146 116.010 115.700 0.275 0.000 2.549 360 S HA 0.497 4.968 4.470 0.003 0.000 0.286 360 S C 1.212 175.969 174.600 0.262 0.000 1.314 360 S CA 0.477 58.885 58.200 0.347 0.000 1.062 360 S CB 0.906 64.307 63.200 0.335 0.000 0.865 360 S HN 1.253 nan 8.310 nan 0.000 0.498 361 G N 1.167 110.107 108.800 0.233 0.000 2.547 361 G HA2 0.545 4.506 3.960 0.003 0.000 0.291 361 G HA3 0.545 4.506 3.960 0.003 0.000 0.291 361 G C -1.450 173.712 174.900 0.438 0.000 1.211 361 G CA -0.435 44.829 45.100 0.273 0.000 0.950 361 G HN 0.640 nan 8.290 nan 0.000 0.504 362 W N -0.867 120.548 121.300 0.191 0.000 3.296 362 W HA 0.466 5.128 4.660 0.003 0.000 0.314 362 W C 0.038 176.670 176.519 0.189 0.000 1.238 362 W CA -0.839 56.644 57.345 0.230 0.000 1.193 362 W CB 0.858 30.455 29.460 0.228 0.000 1.383 362 W HN 0.959 nan 8.180 nan 0.000 0.545 363 S N 3.272 119.020 115.700 0.080 0.000 3.310 363 S HA 0.208 4.679 4.470 0.003 0.000 0.381 363 S C 0.517 175.213 174.600 0.161 0.000 0.908 363 S CA 1.846 60.094 58.200 0.080 0.000 1.333 363 S CB -1.715 61.294 63.200 -0.318 0.000 0.931 363 S HN 2.057 nan 8.310 nan 0.000 0.570 364 G N 1.700 110.662 108.800 0.270 0.000 2.692 364 G HA2 -0.248 3.713 3.960 0.003 0.000 0.248 364 G HA3 -0.248 3.713 3.960 0.003 0.000 0.248 364 G C 0.707 175.645 174.900 0.062 0.000 1.340 364 G CA 0.136 45.289 45.100 0.089 0.000 0.896 364 G HN 1.043 nan 8.290 nan 0.000 0.570 365 S N -0.653 115.025 115.700 -0.036 0.000 2.483 365 S HA 0.502 4.974 4.470 0.003 0.000 0.221 365 S C 0.202 175.040 174.600 0.396 0.000 1.030 365 S CA 1.554 59.853 58.200 0.166 0.000 0.925 365 S CB -0.067 63.276 63.200 0.239 0.000 0.795 365 S HN 1.302 nan 8.310 nan 0.000 0.511 366 F N -0.312 119.719 119.950 0.134 0.000 2.688 366 F HA 0.573 5.102 4.527 0.003 0.000 0.308 366 F C -3.394 172.386 175.800 -0.033 0.000 1.117 366 F CA -2.585 55.478 58.000 0.105 0.000 0.976 366 F CB 0.502 39.462 39.000 -0.066 0.000 1.291 366 F HN -0.283 nan 8.300 nan 0.000 0.439 367 P HA 0.175 nan 4.420 nan 0.000 0.271 367 P C 0.683 177.933 177.300 -0.084 0.000 1.220 367 P CA -0.168 62.910 63.100 -0.036 0.000 0.768 367 P CB 1.528 33.236 31.700 0.014 0.000 0.848 368 L N 2.058 123.047 121.223 -0.391 0.000 2.042 368 L HA -0.122 4.220 4.340 0.003 0.000 0.210 368 L C 0.822 177.307 176.870 -0.641 0.000 1.076 368 L CA 1.669 56.106 54.840 -0.673 0.000 0.749 368 L CB -0.531 40.746 42.059 -1.303 0.000 0.893 368 L HN 0.293 nan 8.230 nan 0.000 0.432 369 F N -0.507 119.392 119.950 -0.085 0.000 2.522 369 F HA 0.288 4.817 4.527 0.003 0.000 0.324 369 F C 0.335 176.022 175.800 -0.188 0.000 1.077 369 F CA -2.128 55.804 58.000 -0.113 0.000 0.944 369 F CB 0.745 39.659 39.000 -0.144 0.000 1.175 369 F HN -0.077 nan 8.300 nan 0.000 0.468 370 D N -0.526 119.886 120.400 0.021 0.000 2.447 370 D HA 0.127 4.768 4.640 0.003 0.000 0.265 370 D C 1.229 177.424 176.300 -0.174 0.000 1.250 370 D CA -0.126 53.800 54.000 -0.124 0.000 1.046 370 D CB 0.148 40.884 40.800 -0.106 0.000 1.095 370 D HN 0.443 nan 8.370 nan 0.000 0.555 371 S N -0.876 114.696 115.700 -0.213 0.000 2.407 371 S HA -0.306 4.166 4.470 0.003 0.000 0.235 371 S C 1.464 175.946 174.600 -0.197 0.000 1.036 371 S CA 1.325 59.369 58.200 -0.260 0.000 1.013 371 S CB -0.669 62.440 63.200 -0.152 0.000 0.820 371 S HN 0.625 nan 8.310 nan 0.000 0.476 372 Q N 0.430 120.148 119.800 -0.136 0.000 2.280 372 Q HA 0.365 4.706 4.340 0.003 0.000 0.201 372 Q C 1.161 177.074 176.000 -0.144 0.000 0.890 372 Q CA 0.213 55.944 55.803 -0.121 0.000 0.947 372 Q CB 0.357 29.048 28.738 -0.078 0.000 1.081 372 Q HN 0.781 nan 8.270 nan 0.000 0.502 373 G N 1.336 110.036 108.800 -0.167 0.000 2.143 373 G HA2 -0.218 3.744 3.960 0.003 0.000 0.249 373 G HA3 -0.218 3.744 3.960 0.003 0.000 0.249 373 G C -0.207 174.649 174.900 -0.073 0.000 0.981 373 G CA -0.174 44.776 45.100 -0.249 0.000 0.665 373 G HN 0.264 nan 8.290 nan 0.000 0.528 374 N N 0.548 119.267 118.700 0.033 0.000 2.530 374 N HA 0.300 5.041 4.740 0.003 0.000 0.277 374 N C 0.623 176.280 175.510 0.244 0.000 1.168 374 N CA -0.340 52.774 53.050 0.107 0.000 0.979 374 N CB 0.540 39.054 38.487 0.045 0.000 1.141 374 N HN 0.330 nan 8.380 nan 0.000 0.459 375 R N 1.677 122.321 120.500 0.241 0.000 2.480 375 R HA 0.040 4.382 4.340 0.003 0.000 0.303 375 R C 0.020 176.367 176.300 0.079 0.000 0.985 375 R CA -0.069 56.129 56.100 0.164 0.000 1.051 375 R CB -0.035 30.358 30.300 0.155 0.000 0.935 375 R HN 0.398 nan 8.270 nan 0.000 0.410 376 N N 1.854 120.572 118.700 0.030 0.000 2.482 376 N HA -0.010 4.731 4.740 0.003 0.000 0.260 376 N C -0.568 174.947 175.510 0.007 0.000 1.236 376 N CA 0.359 53.416 53.050 0.012 0.000 0.938 376 N CB 0.748 39.238 38.487 0.005 0.000 1.128 376 N HN 0.452 nan 8.380 nan 0.000 0.448 377 D N 1.114 121.495 120.400 -0.032 0.000 2.473 377 D HA 0.370 5.011 4.640 0.003 0.000 0.253 377 D C -1.092 175.127 176.300 -0.136 0.000 1.233 377 D CA -0.524 53.451 54.000 -0.042 0.000 0.908 377 D CB 0.575 41.392 40.800 0.027 0.000 1.170 377 D HN 0.218 nan 8.370 nan 0.000 0.558 378 V N 0.556 120.286 119.914 -0.305 0.000 3.102 378 V HA 0.743 4.864 4.120 0.003 0.000 0.312 378 V C 0.322 176.327 176.094 -0.147 0.000 1.135 378 V CA -0.873 61.214 62.300 -0.355 0.000 1.022 378 V CB 1.544 32.856 31.823 -0.850 0.000 1.056 378 V HN 0.385 nan 8.190 nan 0.000 0.436 379 S N 1.070 116.754 115.700 -0.028 0.000 2.589 379 S HA 0.301 4.773 4.470 0.003 0.000 0.265 379 S C 1.186 175.824 174.600 0.063 0.000 1.342 379 S CA -0.338 57.874 58.200 0.019 0.000 1.005 379 S CB 0.553 63.787 63.200 0.058 0.000 0.909 379 S HN 0.805 nan 8.310 nan 0.000 0.555 380 R N 1.114 121.515 120.500 -0.165 0.000 2.120 380 R HA -0.101 4.241 4.340 0.003 0.000 0.234 380 R C 2.258 178.693 176.300 0.225 0.000 1.123 380 R CA 1.582 57.491 56.100 -0.318 0.000 0.975 380 R CB -0.422 29.508 30.300 -0.618 0.000 0.866 380 R HN 0.774 nan 8.270 nan 0.000 0.446 381 S N -0.224 115.568 115.700 0.153 0.000 2.603 381 S HA -0.019 4.452 4.470 0.003 0.000 0.220 381 S C 0.468 175.118 174.600 0.083 0.000 0.967 381 S CA -0.436 57.821 58.200 0.095 0.000 0.920 381 S CB -0.274 62.952 63.200 0.043 0.000 0.773 381 S HN 0.180 nan 8.310 nan 0.000 0.529 382 F N 3.632 123.613 119.950 0.052 0.000 2.572 382 F HA 0.415 4.943 4.527 0.003 0.000 0.370 382 F C 0.245 176.117 175.800 0.119 0.000 1.103 382 F CA -0.203 57.842 58.000 0.076 0.000 1.286 382 F CB 0.398 39.411 39.000 0.021 0.000 1.105 382 F HN 0.136 nan 8.300 nan 0.000 0.583 383 N N 4.996 123.491 118.700 -0.341 0.000 2.576 383 N HA 0.095 4.837 4.740 0.003 0.000 0.269 383 N C 0.344 175.894 175.510 0.066 0.000 1.058 383 N CA -0.640 52.335 53.050 -0.124 0.000 0.860 383 N CB 0.236 38.452 38.487 -0.451 0.000 1.249 383 N HN 0.664 nan 8.380 nan 0.000 0.525 384 N N 1.625 120.500 118.700 0.291 0.000 2.417 384 N HA -0.093 4.649 4.740 0.003 0.000 0.187 384 N C 0.697 176.460 175.510 0.422 0.000 1.027 384 N CA 0.760 54.014 53.050 0.341 0.000 0.891 384 N CB -0.426 38.288 38.487 0.377 0.000 0.956 384 N HN 0.438 nan 8.380 nan 0.000 0.442 385 G N -0.754 108.308 108.800 0.436 0.000 2.507 385 G HA2 0.572 4.534 3.960 0.003 0.000 0.271 385 G HA3 0.572 4.534 3.960 0.003 0.000 0.271 385 G C -0.399 174.742 174.900 0.402 0.000 1.189 385 G CA -0.070 45.247 45.100 0.361 0.000 0.859 385 G HN 0.485 nan 8.290 nan 0.000 0.542 386 A N 0.598 123.434 122.820 0.028 0.000 2.351 386 A HA 0.373 4.694 4.320 0.003 0.000 0.257 386 A C 1.503 178.811 177.584 -0.460 0.000 1.087 386 A CA -0.256 51.539 52.037 -0.403 0.000 0.798 386 A CB 0.517 18.791 19.000 -1.209 0.000 1.033 386 A HN 0.758 nan 8.150 nan 0.000 0.488 387 K N 0.900 121.028 120.400 -0.453 0.000 2.160 387 K HA -0.149 4.172 4.320 0.003 0.000 0.206 387 K C 1.251 177.840 176.600 -0.018 0.000 1.047 387 K CA 2.218 58.394 56.287 -0.184 0.000 0.930 387 K CB -0.119 32.289 32.500 -0.153 0.000 0.720 387 K HN 0.978 nan 8.250 nan 0.000 0.450 388 W N -0.076 121.262 121.300 0.064 0.000 3.278 388 W HA 0.268 4.930 4.660 0.003 0.000 0.308 388 W C 0.220 176.817 176.519 0.130 0.000 1.253 388 W CA -0.553 56.842 57.345 0.083 0.000 1.759 388 W CB -0.417 29.086 29.460 0.071 0.000 1.093 388 W HN -0.185 nan 8.180 nan 0.000 0.648 389 S N 2.269 117.909 115.700 -0.101 0.000 2.533 389 S HA 0.263 4.735 4.470 0.003 0.000 0.282 389 S C -0.189 174.502 174.600 0.152 0.000 1.304 389 S CA 0.218 58.420 58.200 0.004 0.000 1.063 389 S CB 0.907 63.992 63.200 -0.191 0.000 0.881 389 S HN 0.196 nan 8.310 nan 0.000 0.493 390 S N 5.545 121.360 115.700 0.193 0.000 2.614 390 S HA 0.394 4.866 4.470 0.003 0.000 0.275 390 S C -1.439 173.290 174.600 0.214 0.000 1.161 390 S CA -0.617 57.707 58.200 0.206 0.000 0.969 390 S CB 0.693 64.024 63.200 0.218 0.000 1.059 390 S HN 0.854 nan 8.310 nan 0.000 0.482 391 W N 5.958 127.318 121.300 0.100 0.000 1.818 391 W HA 0.343 5.004 4.660 0.003 0.000 0.334 391 W C 0.161 176.759 176.519 0.133 0.000 0.753 391 W CA -0.833 56.562 57.345 0.085 0.000 1.826 391 W CB -0.188 29.296 29.460 0.040 0.000 2.001 391 W HN 0.748 nan 8.180 nan 0.000 0.324 392 E N 2.391 122.855 120.200 0.440 0.000 2.465 392 E HA -0.058 4.293 4.350 0.003 0.000 0.260 392 E C -0.726 176.157 176.600 0.471 0.000 0.980 392 E CA 0.914 57.554 56.400 0.399 0.000 0.927 392 E CB 0.777 30.701 29.700 0.374 0.000 0.934 392 E HN 0.415 nan 8.360 nan 0.000 0.459 393 Q N 3.158 123.166 119.800 0.347 0.000 2.305 393 Q HA 0.342 4.684 4.340 0.003 0.000 0.271 393 Q C -1.335 174.775 176.000 0.184 0.000 1.046 393 Q CA -0.782 55.175 55.803 0.256 0.000 0.798 393 Q CB 1.841 30.671 28.738 0.153 0.000 1.286 393 Q HN 0.470 nan 8.270 nan 0.000 0.435 394 Y N -1.485 118.858 120.300 0.072 0.000 2.499 394 Y HA 0.878 5.430 4.550 0.003 0.000 0.347 394 Y C -0.618 175.245 175.900 -0.063 0.000 0.987 394 Y CA -1.020 57.055 58.100 -0.041 0.000 1.044 394 Y CB 1.775 40.207 38.460 -0.046 0.000 1.245 394 Y HN 0.532 nan 8.280 nan 0.000 0.461 395 T N 0.612 115.156 114.554 -0.016 0.000 2.906 395 T HA 0.871 5.223 4.350 0.003 0.000 0.295 395 T C -0.954 173.747 174.700 0.002 0.000 1.061 395 T CA -0.996 61.069 62.100 -0.059 0.000 1.000 395 T CB 2.414 71.199 68.868 -0.138 0.000 1.103 395 T HN 1.233 nan 8.240 nan 0.000 0.486 396 R N -0.163 120.372 120.500 0.059 0.000 2.663 396 R HA 0.731 5.072 4.340 0.003 0.000 0.267 396 R C -1.859 174.510 176.300 0.114 0.000 1.038 396 R CA -0.733 55.458 56.100 0.151 0.000 0.886 396 R CB 1.507 31.996 30.300 0.314 0.000 1.249 396 R HN 0.713 nan 8.270 nan 0.000 0.463 397 T N 1.332 115.996 114.554 0.184 0.000 2.956 397 T HA 0.533 4.884 4.350 0.003 0.000 0.312 397 T C -1.401 173.482 174.700 0.305 0.000 1.151 397 T CA -0.724 61.507 62.100 0.219 0.000 1.024 397 T CB 1.924 70.934 68.868 0.237 0.000 1.140 397 T HN 0.354 nan 8.240 nan 0.000 0.473 398 V N 3.972 124.083 119.914 0.329 0.000 2.577 398 V HA 0.813 4.935 4.120 0.003 0.000 0.303 398 V C -1.050 175.219 176.094 0.292 0.000 1.042 398 V CA -0.942 61.495 62.300 0.227 0.000 0.872 398 V CB 1.071 33.004 31.823 0.185 0.000 0.998 398 V HN 0.914 nan 8.190 nan 0.000 0.423 399 F N 2.393 122.433 119.950 0.150 0.000 2.643 399 F HA 1.038 5.566 4.527 0.003 0.000 0.314 399 F C -0.405 175.468 175.800 0.121 0.000 1.096 399 F CA -1.238 56.849 58.000 0.143 0.000 0.953 399 F CB 1.878 40.971 39.000 0.156 0.000 1.345 399 F HN 0.663 nan 8.300 nan 0.000 0.468 400 A N 1.910 124.945 122.820 0.359 0.000 2.520 400 A HA 0.770 5.092 4.320 0.003 0.000 0.298 400 A C -2.041 175.695 177.584 0.254 0.000 1.051 400 A CA -0.795 51.374 52.037 0.220 0.000 0.690 400 A CB 1.677 20.737 19.000 0.099 0.000 1.281 400 A HN 0.837 nan 8.150 nan 0.000 0.402 401 N N 0.091 118.916 118.700 0.210 0.000 2.454 401 N HA 0.565 5.307 4.740 0.003 0.000 0.291 401 N C -1.737 173.845 175.510 0.121 0.000 1.079 401 N CA -0.231 52.928 53.050 0.182 0.000 0.893 401 N CB 2.003 40.626 38.487 0.226 0.000 1.512 401 N HN 0.565 nan 8.380 nan 0.000 0.497 402 L N 2.643 123.915 121.223 0.081 0.000 2.342 402 L HA 0.513 4.855 4.340 0.003 0.000 0.276 402 L C -0.621 176.273 176.870 0.040 0.000 0.997 402 L CA -0.464 54.404 54.840 0.047 0.000 0.838 402 L CB 0.819 42.887 42.059 0.015 0.000 1.224 402 L HN 0.547 nan 8.230 nan 0.000 0.416 403 E N 2.761 122.990 120.200 0.049 0.000 2.221 403 E HA 0.467 4.819 4.350 0.003 0.000 0.268 403 E C -1.307 175.344 176.600 0.085 0.000 0.933 403 E CA -0.904 55.525 56.400 0.048 0.000 0.809 403 E CB 2.201 31.929 29.700 0.047 0.000 1.190 403 E HN 0.563 nan 8.360 nan 0.000 0.406 404 H N 1.281 120.306 119.070 -0.074 0.000 2.744 404 H HA 0.332 4.889 4.556 0.003 0.000 0.339 404 H C -1.457 173.777 175.328 -0.158 0.000 1.004 404 H CA -1.141 54.791 56.048 -0.192 0.000 1.257 404 H CB 1.115 30.639 29.762 -0.397 0.000 1.552 404 H HN 0.432 nan 8.280 nan 0.000 0.522 405 N N 4.427 123.028 118.700 -0.165 0.000 2.405 405 N HA 0.110 4.852 4.740 0.003 0.000 0.260 405 N C -0.894 174.306 175.510 -0.517 0.000 1.152 405 N CA 0.036 52.973 53.050 -0.189 0.000 0.948 405 N CB -0.069 38.398 38.487 -0.033 0.000 1.111 405 N HN 0.323 nan 8.380 nan 0.000 0.485 406 F N 1.071 120.852 119.950 -0.281 0.000 2.445 406 F HA 0.277 4.806 4.527 0.003 0.000 0.359 406 F C 1.178 176.938 175.800 -0.067 0.000 1.101 406 F CA -0.954 56.905 58.000 -0.234 0.000 1.177 406 F CB 0.713 39.653 39.000 -0.101 0.000 1.110 406 F HN 0.426 nan 8.300 nan 0.000 0.522 407 A N 3.532 126.403 122.820 0.085 0.000 3.051 407 A HA 0.120 4.442 4.320 0.003 0.000 0.275 407 A C 0.980 178.631 177.584 0.112 0.000 1.900 407 A CA 0.633 52.722 52.037 0.085 0.000 1.496 407 A CB -0.834 18.201 19.000 0.059 0.000 1.013 407 A HN 0.861 nan 8.150 nan 0.000 0.611 408 N N -0.478 118.308 118.700 0.144 0.000 2.126 408 N HA 0.039 4.781 4.740 0.003 0.000 0.308 408 N C 0.876 176.528 175.510 0.235 0.000 1.133 408 N CA 1.510 54.659 53.050 0.166 0.000 0.712 408 N CB -0.475 38.113 38.487 0.168 0.000 1.868 408 N HN 1.060 nan 8.380 nan 0.000 0.741 409 G N -0.510 108.427 108.800 0.228 0.000 2.232 409 G HA2 -0.222 3.739 3.960 0.003 0.000 0.226 409 G HA3 -0.222 3.739 3.960 0.003 0.000 0.226 409 G C -0.258 174.776 174.900 0.223 0.000 0.996 409 G CA 0.117 45.337 45.100 0.200 0.000 0.626 409 G HN 0.158 nan 8.290 nan 0.000 0.509 410 W N 0.549 121.901 121.300 0.087 0.000 2.359 410 W HA 0.658 5.320 4.660 0.003 0.000 0.344 410 W C 0.582 177.223 176.519 0.204 0.000 1.170 410 W CA 0.010 57.415 57.345 0.100 0.000 1.296 410 W CB 1.395 30.848 29.460 -0.012 0.000 1.197 410 W HN 0.643 nan 8.180 nan 0.000 0.618 411 V N 0.353 120.504 119.914 0.395 0.000 2.962 411 V HA 1.034 5.155 4.120 0.003 0.000 0.313 411 V C -0.575 175.741 176.094 0.369 0.000 1.099 411 V CA -1.086 61.422 62.300 0.345 0.000 0.971 411 V CB 1.686 33.615 31.823 0.175 0.000 1.028 411 V HN 0.746 nan 8.190 nan 0.000 0.430 412 G N 2.024 111.016 108.800 0.320 0.000 2.707 412 G HA2 0.612 4.574 3.960 0.003 0.000 0.299 412 G HA3 0.612 4.574 3.960 0.003 0.000 0.299 412 G C -1.414 173.478 174.900 -0.014 0.000 1.442 412 G CA -0.814 44.411 45.100 0.209 0.000 1.009 412 G HN 0.982 nan 8.290 nan 0.000 0.515 413 K N 1.501 121.707 120.400 -0.322 0.000 2.207 413 K HA 0.713 5.035 4.320 0.003 0.000 0.255 413 K C -1.034 175.462 176.600 -0.173 0.000 0.941 413 K CA -0.608 55.495 56.287 -0.306 0.000 0.825 413 K CB 2.330 34.507 32.500 -0.537 0.000 1.119 413 K HN 0.254 nan 8.250 nan 0.000 0.430 414 V N 4.569 124.467 119.914 -0.027 0.000 2.483 414 V HA 0.287 4.409 4.120 0.003 0.000 0.297 414 V C -1.042 175.106 176.094 0.090 0.000 1.027 414 V CA -0.769 61.557 62.300 0.044 0.000 0.855 414 V CB 1.652 33.509 31.823 0.057 0.000 0.995 414 V HN 0.795 nan 8.190 nan 0.000 0.424 415 Q N 4.983 124.861 119.800 0.131 0.000 2.312 415 Q HA 0.757 5.099 4.340 0.003 0.000 0.263 415 Q C -1.458 174.646 176.000 0.174 0.000 0.995 415 Q CA -0.751 55.152 55.803 0.167 0.000 0.853 415 Q CB 2.904 31.749 28.738 0.180 0.000 1.300 415 Q HN 0.533 nan 8.270 nan 0.000 0.448 416 L N 1.865 123.204 121.223 0.194 0.000 2.341 416 L HA 0.476 4.817 4.340 0.003 0.000 0.278 416 L C -0.958 176.064 176.870 0.253 0.000 1.005 416 L CA -0.322 54.637 54.840 0.198 0.000 0.818 416 L CB 1.876 44.032 42.059 0.163 0.000 1.259 416 L HN 0.584 nan 8.230 nan 0.000 0.418 417 D N 0.237 120.784 120.400 0.244 0.000 2.619 417 D HA 0.323 4.965 4.640 0.003 0.000 0.241 417 D C -1.224 175.251 176.300 0.290 0.000 1.087 417 D CA -0.295 53.870 54.000 0.274 0.000 0.851 417 D CB 1.507 42.436 40.800 0.216 0.000 1.474 417 D HN 0.381 nan 8.370 nan 0.000 0.478 418 H N 2.484 121.665 119.070 0.186 0.000 2.860 418 H HA 0.398 4.955 4.556 0.003 0.000 0.312 418 H C -1.301 174.116 175.328 0.147 0.000 0.995 418 H CA -0.728 55.411 56.048 0.152 0.000 1.311 418 H CB 1.071 30.910 29.762 0.129 0.000 1.478 418 H HN 0.222 nan 8.280 nan 0.000 0.508 419 K N 5.777 126.047 120.400 -0.217 0.000 2.292 419 K HA 0.451 4.773 4.320 0.003 0.000 0.257 419 K C -1.241 175.243 176.600 -0.194 0.000 0.940 419 K CA -0.602 55.597 56.287 -0.147 0.000 0.811 419 K CB 1.273 33.750 32.500 -0.040 0.000 1.120 419 K HN 0.516 nan 8.250 nan 0.000 0.428 420 I N 3.915 124.413 120.570 -0.119 0.000 2.382 420 I HA 0.273 4.444 4.170 0.003 0.000 0.286 420 I C -1.000 175.073 176.117 -0.073 0.000 1.002 420 I CA -0.884 60.381 61.300 -0.059 0.000 1.135 420 I CB 1.779 39.810 38.000 0.052 0.000 1.288 420 I HN 0.629 nan 8.210 nan 0.000 0.448 421 N N 4.322 122.954 118.700 -0.113 0.000 2.479 421 N HA 0.601 5.342 4.740 0.003 0.000 0.261 421 N C -0.402 174.947 175.510 -0.269 0.000 0.979 421 N CA -0.306 52.632 53.050 -0.187 0.000 0.930 421 N CB 2.014 40.418 38.487 -0.139 0.000 1.172 421 N HN 0.693 nan 8.380 nan 0.000 0.499 422 G N 0.876 109.277 108.800 -0.666 0.000 2.481 422 G HA2 0.607 4.568 3.960 0.003 0.000 0.315 422 G HA3 0.607 4.568 3.960 0.003 0.000 0.315 422 G C -1.594 172.967 174.900 -0.565 0.000 1.231 422 G CA -0.511 44.010 45.100 -0.965 0.000 0.968 422 G HN 0.437 nan 8.290 nan 0.000 0.482 423 Y N -0.669 119.519 120.300 -0.187 0.000 2.512 423 Y HA 0.742 5.294 4.550 0.003 0.000 0.348 423 Y C -0.847 175.198 175.900 0.242 0.000 0.990 423 Y CA -1.762 56.408 58.100 0.117 0.000 1.033 423 Y CB 1.935 40.537 38.460 0.236 0.000 1.259 423 Y HN 0.624 nan 8.280 nan 0.000 0.461 424 H N 2.512 121.717 119.070 0.226 0.000 3.092 424 H HA 0.725 5.282 4.556 0.003 0.000 0.308 424 H C -1.861 173.468 175.328 0.001 0.000 1.047 424 H CA -0.485 55.608 56.048 0.075 0.000 1.466 424 H CB 1.093 30.920 29.762 0.108 0.000 1.597 424 H HN 1.079 nan 8.280 nan 0.000 0.512 425 A N 7.024 129.618 122.820 -0.376 0.000 2.709 425 A HA 0.352 4.674 4.320 0.003 0.000 0.332 425 A C -2.917 174.289 177.584 -0.631 0.000 1.241 425 A CA -1.515 50.223 52.037 -0.499 0.000 0.782 425 A CB 0.647 19.053 19.000 -0.989 0.000 1.109 425 A HN 0.408 nan 8.150 nan 0.000 0.472 426 P HA 0.344 nan 4.420 nan 0.000 0.274 426 P C -0.541 176.719 177.300 -0.067 0.000 1.470 426 P CA 0.124 62.907 63.100 -0.528 0.000 1.001 426 P CB 0.479 32.038 31.700 -0.235 0.000 1.332 427 L N 2.672 123.726 121.223 -0.281 0.000 2.357 427 L HA 0.774 5.115 4.340 0.003 0.000 0.273 427 L C 1.087 178.074 176.870 0.195 0.000 1.080 427 L CA -0.181 54.541 54.840 -0.196 0.000 0.803 427 L CB 1.201 42.731 42.059 -0.881 0.000 1.174 427 L HN 0.378 nan 8.230 nan 0.000 0.443 428 G N 1.546 110.413 108.800 0.112 0.000 2.618 428 G HA2 0.678 4.640 3.960 0.003 0.000 0.280 428 G HA3 0.678 4.640 3.960 0.003 0.000 0.280 428 G C -1.352 173.624 174.900 0.125 0.000 1.458 428 G CA -0.025 45.160 45.100 0.141 0.000 1.224 428 G HN 0.812 nan 8.290 nan 0.000 0.576 429 A N 2.178 125.196 122.820 0.330 0.000 2.530 429 A HA 0.868 5.189 4.320 0.003 0.000 0.288 429 A C -0.797 176.878 177.584 0.150 0.000 1.172 429 A CA -0.804 51.395 52.037 0.268 0.000 0.733 429 A CB 1.141 20.355 19.000 0.356 0.000 1.320 429 A HN 0.685 nan 8.150 nan 0.000 0.419 430 I N 1.793 122.390 120.570 0.045 0.000 2.337 430 I HA 0.396 4.567 4.170 0.003 0.000 0.291 430 I C 0.152 176.339 176.117 0.117 0.000 1.046 430 I CA 0.314 61.595 61.300 -0.031 0.000 1.324 430 I CB 0.458 38.346 38.000 -0.187 0.000 1.409 430 I HN 0.768 nan 8.210 nan 0.000 0.494 431 M N 5.428 125.119 119.600 0.151 0.000 2.569 431 M HA 0.880 5.361 4.480 0.003 0.000 0.279 431 M C -0.301 176.150 176.300 0.252 0.000 1.253 431 M CA -0.362 55.016 55.300 0.131 0.000 0.867 431 M CB 2.496 35.056 32.600 -0.066 0.000 1.727 431 M HN 0.640 nan 8.290 nan 0.000 0.467 432 G N 1.234 110.060 108.800 0.044 0.000 2.549 432 G HA2 -0.082 3.879 3.960 0.003 0.000 0.404 432 G HA3 -0.082 3.879 3.960 0.003 0.000 0.404 432 G C -1.669 172.933 174.900 -0.497 0.000 1.292 432 G CA -0.461 44.534 45.100 -0.176 0.000 0.935 432 G HN 0.874 nan 8.290 nan 0.000 0.512 433 D N 1.082 120.928 120.400 -0.923 0.000 2.522 433 D HA 0.431 5.072 4.640 0.003 0.000 0.218 433 D C -0.400 175.251 176.300 -1.081 0.000 1.149 433 D CA 0.518 54.065 54.000 -0.755 0.000 0.981 433 D CB -0.086 40.378 40.800 -0.560 0.000 1.041 433 D HN 0.363 nan 8.370 nan 0.000 0.518 434 W N 1.689 122.866 121.300 -0.205 0.000 2.882 434 W HA 0.347 5.009 4.660 0.003 0.000 0.345 434 W C -2.027 174.086 176.519 -0.677 0.000 1.125 434 W CA -2.122 55.005 57.345 -0.363 0.000 1.167 434 W CB 0.765 30.029 29.460 -0.327 0.000 1.431 434 W HN 0.011 nan 8.180 nan 0.000 0.543 435 P HA 0.214 nan 4.420 nan 0.000 0.273 435 P C -0.477 176.856 177.300 0.056 0.000 1.250 435 P CA -0.057 62.909 63.100 -0.223 0.000 0.793 435 P CB 0.527 32.090 31.700 -0.229 0.000 1.011 436 A N 1.838 124.792 122.820 0.223 0.000 2.246 436 A HA 0.455 4.777 4.320 0.003 0.000 0.291 436 A C -1.428 176.202 177.584 0.076 0.000 1.103 436 A CA -1.317 50.820 52.037 0.167 0.000 0.844 436 A CB -0.871 18.283 19.000 0.257 0.000 1.136 436 A HN 0.407 nan 8.150 nan 0.000 0.500 437 P HA -0.082 nan 4.420 nan 0.000 0.230 437 P C 0.070 177.398 177.300 0.047 0.000 1.158 437 P CA 1.159 64.280 63.100 0.036 0.000 0.769 437 P CB -0.060 31.653 31.700 0.022 0.000 0.807 438 D N -1.468 118.966 120.400 0.057 0.000 2.395 438 D HA 0.006 4.648 4.640 0.003 0.000 0.226 438 D C 0.499 176.842 176.300 0.072 0.000 1.146 438 D CA -0.691 53.343 54.000 0.056 0.000 0.830 438 D CB -1.054 39.773 40.800 0.046 0.000 0.958 438 D HN -0.059 nan 8.370 nan 0.000 0.501 439 N N -0.256 118.498 118.700 0.091 0.000 2.900 439 N HA -0.217 4.525 4.740 0.003 0.000 0.240 439 N C -0.673 174.925 175.510 0.147 0.000 0.953 439 N CA 1.093 54.225 53.050 0.137 0.000 0.950 439 N CB -1.394 37.183 38.487 0.149 0.000 1.102 439 N HN 0.403 nan 8.380 nan 0.000 0.593 440 S N -0.979 114.770 115.700 0.081 0.000 2.600 440 S HA 0.774 5.245 4.470 0.003 0.000 0.265 440 S C 0.402 174.961 174.600 -0.068 0.000 1.325 440 S CA -0.028 58.179 58.200 0.012 0.000 1.002 440 S CB 2.144 65.321 63.200 -0.039 0.000 0.921 440 S HN 0.667 nan 8.310 nan 0.000 0.554 441 A N 0.608 123.266 122.820 -0.271 0.000 2.581 441 A HA 0.780 5.102 4.320 0.003 0.000 0.290 441 A C -1.406 175.619 177.584 -0.933 0.000 1.119 441 A CA -1.078 50.544 52.037 -0.691 0.000 0.670 441 A CB 1.247 20.099 19.000 -0.247 0.000 1.280 441 A HN 0.733 nan 8.150 nan 0.000 0.425 442 K N 0.483 120.032 120.400 -1.419 0.000 2.422 442 K HA 0.585 4.907 4.320 0.003 0.000 0.251 442 K C -1.300 175.070 176.600 -0.383 0.000 0.933 442 K CA -0.776 55.035 56.287 -0.794 0.000 0.798 442 K CB 1.948 34.013 32.500 -0.726 0.000 1.238 442 K HN 0.465 nan 8.250 nan 0.000 0.428 443 I N 2.416 122.909 120.570 -0.128 0.000 2.440 443 I HA 0.242 4.414 4.170 0.003 0.000 0.294 443 I C -0.005 176.207 176.117 0.159 0.000 0.995 443 I CA -0.871 60.462 61.300 0.055 0.000 1.306 443 I CB 1.544 39.668 38.000 0.206 0.000 1.407 443 I HN 0.267 nan 8.210 nan 0.000 0.501 444 V N 5.490 125.526 119.914 0.203 0.000 2.347 444 V HA 0.674 4.796 4.120 0.003 0.000 0.280 444 V C 0.210 176.563 176.094 0.432 0.000 1.021 444 V CA -0.594 61.860 62.300 0.256 0.000 0.847 444 V CB 1.380 33.275 31.823 0.120 0.000 0.990 444 V HN 0.879 nan 8.190 nan 0.000 0.444 445 A N 5.536 128.622 122.820 0.443 0.000 2.331 445 A HA 0.895 5.217 4.320 0.003 0.000 0.320 445 A C -0.619 177.276 177.584 0.519 0.000 1.138 445 A CA -0.533 51.821 52.037 0.529 0.000 0.790 445 A CB 1.398 20.669 19.000 0.452 0.000 1.206 445 A HN 0.762 nan 8.150 nan 0.000 0.470 446 Q N 0.693 120.724 119.800 0.385 0.000 2.482 446 Q HA 0.410 4.751 4.340 0.003 0.000 0.286 446 Q C -1.428 174.145 176.000 -0.712 0.000 1.007 446 Q CA -0.846 54.966 55.803 0.014 0.000 0.801 446 Q CB 2.968 31.718 28.738 0.019 0.000 1.455 446 Q HN 0.675 nan 8.270 nan 0.000 0.398 447 K N 1.690 121.478 120.400 -1.020 0.000 2.345 447 K HA 0.501 4.823 4.320 0.003 0.000 0.255 447 K C -1.830 174.202 176.600 -0.948 0.000 0.934 447 K CA -0.413 55.096 56.287 -1.296 0.000 0.801 447 K CB 1.008 32.351 32.500 -1.928 0.000 1.137 447 K HN 0.522 nan 8.250 nan 0.000 0.424 448 Y N 1.141 121.225 120.300 -0.359 0.000 2.329 448 Y HA 0.230 4.781 4.550 0.003 0.000 0.328 448 Y C 0.161 176.089 175.900 0.046 0.000 0.992 448 Y CA -0.843 57.249 58.100 -0.014 0.000 1.151 448 Y CB 2.059 40.538 38.460 0.032 0.000 1.150 448 Y HN 0.508 nan 8.280 nan 0.000 0.450 449 T N 0.086 114.732 114.554 0.153 0.000 2.861 449 T HA 0.966 5.318 4.350 0.003 0.000 0.287 449 T C -0.203 174.258 174.700 -0.397 0.000 1.003 449 T CA -0.585 61.399 62.100 -0.194 0.000 0.977 449 T CB 1.901 70.704 68.868 -0.108 0.000 0.996 449 T HN 1.019 nan 8.240 nan 0.000 0.448 450 G N 1.187 109.325 108.800 -1.104 0.000 2.576 450 G HA2 0.588 4.550 3.960 0.003 0.000 0.290 450 G HA3 0.588 4.550 3.960 0.003 0.000 0.290 450 G C -2.027 172.646 174.900 -0.378 0.000 1.442 450 G CA -0.801 43.995 45.100 -0.508 0.000 0.792 450 G HN 0.838 nan 8.290 nan 0.000 0.491 451 E N -1.074 119.129 120.200 0.006 0.000 2.393 451 E HA 0.712 5.063 4.350 0.003 0.000 0.273 451 E C -1.328 175.365 176.600 0.154 0.000 0.918 451 E CA -0.702 55.721 56.400 0.038 0.000 0.773 451 E CB 2.676 32.422 29.700 0.076 0.000 1.275 451 E HN 0.334 nan 8.360 nan 0.000 0.451 452 T N 2.268 116.867 114.554 0.074 0.000 2.937 452 T HA 0.353 4.705 4.350 0.003 0.000 0.297 452 T C -1.155 173.573 174.700 0.047 0.000 0.991 452 T CA -0.772 61.385 62.100 0.095 0.000 0.990 452 T CB 0.947 69.819 68.868 0.007 0.000 0.991 452 T HN 0.211 nan 8.240 nan 0.000 0.440 453 K N 2.138 122.590 120.400 0.086 0.000 2.292 453 K HA 0.764 5.085 4.320 0.003 0.000 0.257 453 K C -0.838 175.821 176.600 0.099 0.000 0.940 453 K CA -0.923 55.389 56.287 0.042 0.000 0.811 453 K CB 1.873 34.433 32.500 0.101 0.000 1.120 453 K HN 0.525 nan 8.250 nan 0.000 0.428 454 S N 1.925 117.655 115.700 0.050 0.000 2.614 454 S HA 0.324 4.795 4.470 0.003 0.000 0.288 454 S C -0.971 173.724 174.600 0.159 0.000 1.137 454 S CA -1.083 57.194 58.200 0.128 0.000 0.992 454 S CB 1.085 64.349 63.200 0.107 0.000 1.026 454 S HN 0.570 nan 8.310 nan 0.000 0.486 455 N N 1.206 120.053 118.700 0.244 0.000 2.424 455 N HA 0.563 5.305 4.740 0.003 0.000 0.271 455 N C -0.961 174.713 175.510 0.273 0.000 0.985 455 N CA -0.446 52.767 53.050 0.272 0.000 0.921 455 N CB 1.372 40.021 38.487 0.270 0.000 1.149 455 N HN 0.447 nan 8.380 nan 0.000 0.492 456 S N 1.586 117.423 115.700 0.229 0.000 2.568 456 S HA 0.564 5.036 4.470 0.003 0.000 0.302 456 S C -1.104 173.616 174.600 0.201 0.000 1.082 456 S CA -0.685 57.637 58.200 0.203 0.000 1.009 456 S CB 1.631 64.928 63.200 0.160 0.000 1.069 456 S HN 0.378 nan 8.310 nan 0.000 0.500 457 L N 2.368 123.706 121.223 0.191 0.000 2.381 457 L HA 0.634 4.976 4.340 0.003 0.000 0.274 457 L C -1.410 175.562 176.870 0.171 0.000 0.988 457 L CA -0.093 54.853 54.840 0.177 0.000 0.824 457 L CB 1.572 43.738 42.059 0.179 0.000 1.263 457 L HN 0.697 nan 8.230 nan 0.000 0.410 458 D N 5.225 125.735 120.400 0.183 0.000 2.649 458 D HA 0.447 5.089 4.640 0.003 0.000 0.249 458 D C -1.346 175.088 176.300 0.223 0.000 1.112 458 D CA -0.347 53.787 54.000 0.224 0.000 0.850 458 D CB 2.194 43.146 40.800 0.253 0.000 1.399 458 D HN 0.652 nan 8.370 nan 0.000 0.503 459 I N 2.263 122.968 120.570 0.224 0.000 2.533 459 I HA 0.622 4.793 4.170 0.003 0.000 0.290 459 I C -1.823 174.438 176.117 0.240 0.000 1.056 459 I CA -0.688 60.713 61.300 0.169 0.000 1.057 459 I CB 1.669 39.730 38.000 0.101 0.000 1.240 459 I HN 0.281 nan 8.210 nan 0.000 0.423 460 Y N 4.706 125.080 120.300 0.122 0.000 2.605 460 Y HA 0.883 5.435 4.550 0.003 0.000 0.343 460 Y C -1.902 174.086 175.900 0.146 0.000 1.036 460 Y CA -1.661 56.498 58.100 0.098 0.000 1.065 460 Y CB 1.442 39.989 38.460 0.146 0.000 1.288 460 Y HN 0.561 nan 8.280 nan 0.000 0.481 461 L N 1.954 123.385 121.223 0.347 0.000 2.436 461 L HA 0.698 5.040 4.340 0.003 0.000 0.268 461 L C -0.742 176.360 176.870 0.387 0.000 0.974 461 L CA -0.715 54.352 54.840 0.378 0.000 0.826 461 L CB 2.598 44.876 42.059 0.364 0.000 1.291 461 L HN 0.946 nan 8.230 nan 0.000 0.406 462 T N 1.272 115.962 114.554 0.227 0.000 2.952 462 T HA 0.865 5.217 4.350 0.003 0.000 0.305 462 T C -0.656 173.560 174.700 -0.807 0.000 1.064 462 T CA -0.190 61.773 62.100 -0.229 0.000 1.008 462 T CB 1.763 70.632 68.868 0.001 0.000 1.078 462 T HN 0.907 nan 8.240 nan 0.000 0.459 463 G N 3.846 111.635 108.800 -1.685 0.000 2.506 463 G HA2 0.661 4.623 3.960 0.003 0.000 0.292 463 G HA3 0.661 4.623 3.960 0.003 0.000 0.292 463 G C -3.436 170.816 174.900 -1.079 0.000 1.425 463 G CA -0.979 42.953 45.100 -1.947 0.000 0.788 463 G HN 0.612 nan 8.290 nan 0.000 0.490 464 P HA 0.556 nan 4.420 nan 0.000 0.274 464 P C -1.138 176.383 177.300 0.368 0.000 1.231 464 P CA -0.115 62.961 63.100 -0.041 0.000 0.790 464 P CB 0.838 32.528 31.700 -0.017 0.000 0.951 465 F N -1.471 118.558 119.950 0.131 0.000 2.654 465 F HA 0.541 5.070 4.527 0.003 0.000 0.308 465 F C -1.207 174.706 175.800 0.189 0.000 1.108 465 F CA -1.275 56.846 58.000 0.202 0.000 0.957 465 F CB 1.252 40.388 39.000 0.226 0.000 1.309 465 F HN 0.375 nan 8.300 nan 0.000 0.446 466 Q N 1.654 121.589 119.800 0.225 0.000 2.301 466 Q HA 0.561 4.903 4.340 0.003 0.000 0.267 466 Q C -1.502 174.762 176.000 0.440 0.000 1.035 466 Q CA -0.688 55.204 55.803 0.148 0.000 0.856 466 Q CB 2.747 31.536 28.738 0.085 0.000 1.337 466 Q HN 0.789 nan 8.270 nan 0.000 0.450 467 F N 1.711 121.818 119.950 0.263 0.000 2.362 467 F HA 0.391 4.919 4.527 0.003 0.000 0.264 467 F C 0.045 175.969 175.800 0.206 0.000 0.905 467 F CA -0.143 58.037 58.000 0.301 0.000 1.142 467 F CB 0.730 39.924 39.000 0.325 0.000 1.250 467 F HN 0.514 nan 8.300 nan 0.000 0.771 468 L N 0.587 121.903 121.223 0.156 0.000 2.935 468 L HA 0.432 4.774 4.340 0.003 0.000 0.243 468 L C 0.915 177.798 176.870 0.022 0.000 1.313 468 L CA 0.250 55.062 54.840 -0.047 0.000 0.969 468 L CB 0.537 42.511 42.059 -0.141 0.000 1.320 468 L HN 0.507 nan 8.230 nan 0.000 0.511 469 G N 0.074 108.897 108.800 0.037 0.000 2.189 469 G HA2 -0.271 3.691 3.960 0.003 0.000 0.267 469 G HA3 -0.271 3.691 3.960 0.003 0.000 0.267 469 G C 0.499 175.389 174.900 -0.018 0.000 0.975 469 G CA 0.168 45.276 45.100 0.013 0.000 0.644 469 G HN 0.437 nan 8.290 nan 0.000 0.537 470 R N -0.266 120.214 120.500 -0.033 0.000 2.828 470 R HA 0.647 4.989 4.340 0.003 0.000 0.264 470 R C -0.931 175.060 176.300 -0.515 0.000 1.022 470 R CA -0.952 55.035 56.100 -0.188 0.000 1.021 470 R CB 1.295 31.529 30.300 -0.109 0.000 1.163 470 R HN 0.147 nan 8.270 nan 0.000 0.494 471 E N 1.128 120.975 120.200 -0.588 0.000 2.092 471 E HA 0.235 4.587 4.350 0.003 0.000 0.271 471 E C -1.314 174.859 176.600 -0.712 0.000 0.919 471 E CA -0.253 55.805 56.400 -0.570 0.000 0.760 471 E CB 0.546 30.091 29.700 -0.258 0.000 1.106 471 E HN 0.442 nan 8.360 nan 0.000 0.408 472 H N 1.539 120.348 119.070 -0.435 0.000 2.754 472 H HA 0.591 5.149 4.556 0.003 0.000 0.352 472 H C -0.259 174.763 175.328 -0.509 0.000 1.213 472 H CA -1.062 54.651 56.048 -0.558 0.000 1.244 472 H CB 1.320 30.541 29.762 -0.902 0.000 1.843 472 H HN 0.480 nan 8.280 nan 0.000 0.587 473 E N 0.560 120.633 120.200 -0.211 0.000 2.416 473 E HA 0.613 4.965 4.350 0.003 0.000 0.273 473 E C -1.628 174.964 176.600 -0.014 0.000 0.935 473 E CA -1.194 55.145 56.400 -0.103 0.000 0.784 473 E CB 2.645 32.243 29.700 -0.170 0.000 1.301 473 E HN 0.306 nan 8.360 nan 0.000 0.454 474 L N 0.520 121.692 121.223 -0.084 0.000 2.465 474 L HA 0.573 4.915 4.340 0.003 0.000 0.257 474 L C -1.970 174.817 176.870 -0.137 0.000 0.988 474 L CA -0.689 54.123 54.840 -0.046 0.000 0.827 474 L CB 2.473 44.554 42.059 0.038 0.000 1.397 474 L HN 0.562 nan 8.230 nan 0.000 0.410 475 V N 3.558 123.461 119.914 -0.018 0.000 2.588 475 V HA 0.751 4.872 4.120 0.003 0.000 0.304 475 V C -0.655 175.475 176.094 0.059 0.000 1.042 475 V CA -0.595 61.729 62.300 0.040 0.000 0.877 475 V CB 1.754 33.615 31.823 0.063 0.000 0.996 475 V HN 0.678 nan 8.190 nan 0.000 0.425 476 V N 1.228 121.188 119.914 0.076 0.000 2.604 476 V HA 1.119 5.240 4.120 0.003 0.000 0.305 476 V C 0.034 176.028 176.094 -0.167 0.000 1.043 476 V CA -0.117 62.149 62.300 -0.056 0.000 0.888 476 V CB 1.443 33.260 31.823 -0.009 0.000 0.995 476 V HN 1.197 nan 8.190 nan 0.000 0.429 477 G N 1.092 109.542 108.800 -0.585 0.000 2.698 477 G HA2 0.659 4.621 3.960 0.003 0.000 0.293 477 G HA3 0.659 4.621 3.960 0.003 0.000 0.293 477 G C -1.203 173.242 174.900 -0.758 0.000 1.437 477 G CA -0.195 44.438 45.100 -0.779 0.000 0.852 477 G HN 1.065 nan 8.290 nan 0.000 0.499 478 T N -0.882 113.546 114.554 -0.210 0.000 2.900 478 T HA 0.795 5.147 4.350 0.003 0.000 0.303 478 T C -0.712 174.088 174.700 0.167 0.000 1.142 478 T CA 0.110 62.212 62.100 0.003 0.000 1.007 478 T CB 1.584 70.459 68.868 0.011 0.000 1.156 478 T HN 1.759 nan 8.240 nan 0.000 0.490 479 S N 1.463 117.271 115.700 0.180 0.000 2.537 479 S HA 0.840 5.312 4.470 0.003 0.000 0.270 479 S C -1.305 173.356 174.600 0.100 0.000 1.142 479 S CA -0.722 57.580 58.200 0.170 0.000 0.870 479 S CB 1.501 64.826 63.200 0.208 0.000 1.112 479 S HN 1.179 nan 8.310 nan 0.000 0.466 480 A N 1.472 124.345 122.820 0.089 0.000 2.343 480 A HA 0.852 5.174 4.320 0.003 0.000 0.308 480 A C -0.406 177.176 177.584 -0.004 0.000 1.092 480 A CA -0.667 51.375 52.037 0.007 0.000 0.751 480 A CB 1.796 20.857 19.000 0.102 0.000 1.203 480 A HN 0.880 nan 8.150 nan 0.000 0.452 481 S N 1.169 116.767 115.700 -0.169 0.000 2.478 481 S HA 0.747 5.218 4.470 0.003 0.000 0.312 481 S C -1.392 173.028 174.600 -0.299 0.000 1.094 481 S CA -0.227 57.914 58.200 -0.099 0.000 1.081 481 S CB 0.065 63.232 63.200 -0.055 0.000 1.007 481 S HN 0.422 nan 8.310 nan 0.000 0.475 482 F N 2.900 122.880 119.950 0.050 0.000 2.403 482 F HA 0.471 5.000 4.527 0.003 0.000 0.355 482 F C 0.685 176.525 175.800 0.068 0.000 1.119 482 F CA -0.616 57.409 58.000 0.041 0.000 1.007 482 F CB 1.566 40.595 39.000 0.048 0.000 1.194 482 F HN 0.471 nan 8.300 nan 0.000 0.443 483 S N 1.688 117.508 115.700 0.200 0.000 2.600 483 S HA 0.646 5.118 4.470 0.003 0.000 0.300 483 S C -1.402 173.344 174.600 0.243 0.000 1.087 483 S CA -0.743 57.579 58.200 0.203 0.000 0.965 483 S CB 2.027 65.313 63.200 0.143 0.000 1.089 483 S HN 0.796 nan 8.310 nan 0.000 0.496 484 H N 0.060 119.231 119.070 0.168 0.000 2.934 484 H HA 0.434 4.992 4.556 0.003 0.000 0.340 484 H C -2.085 173.399 175.328 0.261 0.000 1.008 484 H CA -0.624 55.534 56.048 0.182 0.000 1.317 484 H CB 0.911 30.761 29.762 0.147 0.000 1.670 484 H HN 0.753 nan 8.280 nan 0.000 0.516 485 W N 6.259 127.725 121.300 0.277 0.000 2.475 485 W HA 0.418 5.080 4.660 0.003 0.000 0.317 485 W C -1.428 175.157 176.519 0.109 0.000 1.046 485 W CA -0.799 56.623 57.345 0.129 0.000 1.215 485 W CB 1.065 30.585 29.460 0.099 0.000 1.335 485 W HN 0.628 nan 8.180 nan 0.000 0.471 486 E N 2.875 123.193 120.200 0.197 0.000 2.238 486 E HA 0.746 5.098 4.350 0.003 0.000 0.267 486 E C -0.480 176.096 176.600 -0.039 0.000 0.887 486 E CA -0.917 55.440 56.400 -0.071 0.000 0.769 486 E CB 2.252 31.895 29.700 -0.095 0.000 1.187 486 E HN 0.620 nan 8.360 nan 0.000 0.416 487 G N 1.823 110.531 108.800 -0.154 0.000 2.732 487 G HA2 0.410 4.371 3.960 0.003 0.000 0.296 487 G HA3 0.410 4.371 3.960 0.003 0.000 0.296 487 G C -1.443 173.395 174.900 -0.104 0.000 1.448 487 G CA -0.705 44.358 45.100 -0.061 0.000 0.911 487 G HN 0.243 nan 8.290 nan 0.000 0.528 488 K N 0.691 121.040 120.400 -0.085 0.000 2.270 488 K HA 0.727 5.049 4.320 0.003 0.000 0.255 488 K C -0.727 175.748 176.600 -0.209 0.000 0.936 488 K CA -0.675 55.431 56.287 -0.300 0.000 0.809 488 K CB 2.251 34.554 32.500 -0.327 0.000 1.131 488 K HN 0.392 nan 8.250 nan 0.000 0.427 489 S N 1.499 116.942 115.700 -0.429 0.000 2.513 489 S HA 0.480 4.952 4.470 0.003 0.000 0.299 489 S C -1.430 172.732 174.600 -0.729 0.000 1.087 489 S CA -0.701 57.351 58.200 -0.246 0.000 1.012 489 S CB 0.640 63.945 63.200 0.174 0.000 1.044 489 S HN 0.367 nan 8.310 nan 0.000 0.485 490 Y N 1.806 121.853 120.300 -0.421 0.000 2.328 490 Y HA 0.400 4.952 4.550 0.003 0.000 0.333 490 Y C 0.213 176.049 175.900 -0.107 0.000 0.958 490 Y CA -0.858 57.025 58.100 -0.361 0.000 1.167 490 Y CB 0.935 39.212 38.460 -0.306 0.000 1.151 490 Y HN 0.970 nan 8.280 nan 0.000 0.470 491 W N 0.199 121.542 121.300 0.071 0.000 2.413 491 W HA 0.366 5.028 4.660 0.003 0.000 0.288 491 W C -0.965 175.619 176.519 0.107 0.000 0.958 491 W CA -0.442 56.962 57.345 0.097 0.000 1.333 491 W CB 0.102 29.614 29.460 0.087 0.000 1.002 491 W HN 0.123 nan 8.180 nan 0.000 0.562 492 N N 2.729 121.586 118.700 0.261 0.000 2.527 492 N HA 0.289 5.031 4.740 0.003 0.000 0.236 492 N C -1.184 174.414 175.510 0.147 0.000 0.999 492 N CA -0.042 53.133 53.050 0.209 0.000 0.935 492 N CB 1.512 40.092 38.487 0.154 0.000 1.132 492 N HN -0.068 nan 8.380 nan 0.000 0.511 493 L N 1.720 123.020 121.223 0.129 0.000 2.305 493 L HA 0.361 4.702 4.340 0.003 0.000 0.281 493 L C 1.206 178.092 176.870 0.026 0.000 1.085 493 L CA -0.405 54.453 54.840 0.030 0.000 0.813 493 L CB 0.584 42.585 42.059 -0.097 0.000 1.157 493 L HN 0.110 nan 8.230 nan 0.000 0.436 494 R N 2.707 123.200 120.500 -0.012 0.000 2.537 494 R HA 0.070 4.412 4.340 0.003 0.000 0.280 494 R C 0.124 176.443 176.300 0.031 0.000 1.058 494 R CA -0.294 55.811 56.100 0.009 0.000 1.057 494 R CB 0.052 30.346 30.300 -0.010 0.000 0.973 494 R HN 0.834 nan 8.270 nan 0.000 0.438 495 N N 2.469 121.196 118.700 0.045 0.000 1.801 495 N HA -0.262 4.480 4.740 0.003 0.000 0.315 495 N C -1.033 174.537 175.510 0.099 0.000 1.326 495 N CA 0.623 53.711 53.050 0.062 0.000 0.840 495 N CB -0.048 38.458 38.487 0.032 0.000 1.126 495 N HN 0.489 nan 8.380 nan 0.000 0.499 496 Y N 1.950 122.225 120.300 -0.042 0.000 2.350 496 Y HA 0.186 4.738 4.550 0.003 0.000 0.338 496 Y C -0.716 175.166 175.900 -0.030 0.000 0.961 496 Y CA -1.537 56.527 58.100 -0.060 0.000 1.100 496 Y CB 1.222 39.629 38.460 -0.087 0.000 1.179 496 Y HN 0.466 nan 8.280 nan 0.000 0.454 497 D N 5.310 125.401 120.400 -0.516 0.000 2.344 497 D HA -0.023 4.618 4.640 0.003 0.000 0.253 497 D C 0.153 175.973 176.300 -0.800 0.000 1.255 497 D CA 0.211 53.919 54.000 -0.486 0.000 0.894 497 D CB 0.503 41.124 40.800 -0.299 0.000 1.067 497 D HN 0.834 nan 8.370 nan 0.000 0.492 498 N N 2.024 120.454 118.700 -0.450 0.000 2.235 498 N HA -0.053 4.688 4.740 0.003 0.000 0.209 498 N C -0.034 175.385 175.510 -0.151 0.000 1.122 498 N CA -0.412 52.494 53.050 -0.240 0.000 0.845 498 N CB 0.158 38.702 38.487 0.095 0.000 1.004 498 N HN 0.253 nan 8.380 nan 0.000 0.499 499 T N -2.213 112.231 114.554 -0.182 0.000 2.909 499 T HA 0.389 4.741 4.350 0.003 0.000 0.286 499 T C -0.096 174.546 174.700 -0.097 0.000 1.002 499 T CA -0.517 61.474 62.100 -0.181 0.000 1.074 499 T CB 1.908 70.676 68.868 -0.167 0.000 0.984 499 T HN 0.059 nan 8.240 nan 0.000 0.495 500 T N 0.648 115.155 114.554 -0.078 0.000 2.863 500 T HA 0.313 4.665 4.350 0.003 0.000 0.285 500 T C 0.294 175.023 174.700 0.048 0.000 1.009 500 T CA -0.782 61.353 62.100 0.058 0.000 0.989 500 T CB 1.230 70.242 68.868 0.241 0.000 1.004 500 T HN 0.598 nan 8.240 nan 0.000 0.455 501 D N 2.290 122.734 120.400 0.073 0.000 2.363 501 D HA 0.093 4.735 4.640 0.003 0.000 0.220 501 D C -0.075 176.286 176.300 0.101 0.000 0.994 501 D CA 0.761 54.798 54.000 0.062 0.000 0.890 501 D CB 0.368 41.194 40.800 0.044 0.000 0.906 501 D HN 0.551 nan 8.370 nan 0.000 0.530 502 D N -0.820 119.676 120.400 0.160 0.000 2.470 502 D HA -0.011 4.630 4.640 0.003 0.000 0.233 502 D C 0.006 176.489 176.300 0.306 0.000 1.372 502 D CA -0.613 53.507 54.000 0.199 0.000 0.994 502 D CB 0.375 41.264 40.800 0.149 0.000 1.377 502 D HN -0.206 nan 8.370 nan 0.000 0.586 503 F N 3.730 123.779 119.950 0.165 0.000 2.098 503 F HA 0.071 4.600 4.527 0.003 0.000 0.294 503 F C 1.942 177.930 175.800 0.313 0.000 1.107 503 F CA 1.110 59.241 58.000 0.219 0.000 1.234 503 F CB -0.048 39.038 39.000 0.142 0.000 1.002 503 F HN 0.447 nan 8.300 nan 0.000 0.472 504 I N 0.627 121.377 120.570 0.300 0.000 2.315 504 I HA -0.350 3.821 4.170 0.003 0.000 0.251 504 I C 0.711 176.908 176.117 0.133 0.000 1.125 504 I CA 1.421 62.831 61.300 0.183 0.000 1.392 504 I CB -0.516 37.595 38.000 0.185 0.000 1.065 504 I HN 0.218 nan 8.210 nan 0.000 0.424 505 N N -0.245 118.536 118.700 0.135 0.000 2.328 505 N HA 0.004 4.746 4.740 0.003 0.000 0.247 505 N C -0.535 175.017 175.510 0.070 0.000 1.165 505 N CA -0.149 52.955 53.050 0.090 0.000 0.873 505 N CB 0.159 38.687 38.487 0.068 0.000 1.125 505 N HN 0.355 nan 8.380 nan 0.000 0.513 506 W N 1.803 123.027 121.300 -0.127 0.000 2.368 506 W HA 0.063 4.725 4.660 0.003 0.000 0.316 506 W C -0.232 176.113 176.519 -0.290 0.000 1.375 506 W CA 0.264 57.479 57.345 -0.217 0.000 1.261 506 W CB 0.713 30.004 29.460 -0.281 0.000 1.298 506 W HN 0.031 nan 8.180 nan 0.000 0.539 507 D N 3.133 123.064 120.400 -0.782 0.000 2.431 507 D HA 0.146 4.788 4.640 0.003 0.000 0.213 507 D C 1.650 176.999 176.300 -1.584 0.000 1.130 507 D CA 0.648 54.151 54.000 -0.828 0.000 0.834 507 D CB 0.151 40.662 40.800 -0.482 0.000 0.985 507 D HN 0.742 nan 8.370 nan 0.000 0.504 508 G N 1.317 108.669 108.800 -2.413 0.000 2.143 508 G HA2 -0.237 3.725 3.960 0.003 0.000 0.248 508 G HA3 -0.237 3.725 3.960 0.003 0.000 0.248 508 G C 0.081 174.197 174.900 -1.306 0.000 0.991 508 G CA 0.095 43.855 45.100 -2.233 0.000 0.689 508 G HN 0.392 nan 8.290 nan 0.000 0.522 509 D N 0.476 120.250 120.400 -1.044 0.000 2.517 509 D HA 0.493 5.135 4.640 0.003 0.000 0.220 509 D C 0.105 176.272 176.300 -0.221 0.000 1.158 509 D CA 0.020 53.743 54.000 -0.462 0.000 0.992 509 D CB 0.056 40.663 40.800 -0.320 0.000 1.058 509 D HN 0.443 nan 8.370 nan 0.000 0.516 510 I N 0.667 121.212 120.570 -0.040 0.000 2.769 510 I HA 0.415 4.586 4.170 0.003 0.000 0.298 510 I C 0.418 176.763 176.117 0.379 0.000 1.128 510 I CA -0.763 60.656 61.300 0.199 0.000 1.031 510 I CB 1.948 40.166 38.000 0.364 0.000 1.235 510 I HN 0.207 nan 8.210 nan 0.000 0.423 511 G N 4.319 113.267 108.800 0.247 0.000 2.474 511 G HA2 0.008 3.970 3.960 0.003 0.000 0.233 511 G HA3 0.008 3.970 3.960 0.003 0.000 0.233 511 G C -0.439 174.580 174.900 0.198 0.000 1.278 511 G CA -0.234 44.974 45.100 0.180 0.000 0.861 511 G HN 0.727 nan 8.290 nan 0.000 0.567 512 K N 2.477 122.659 120.400 -0.364 0.000 2.339 512 K HA 0.269 4.591 4.320 0.003 0.000 0.286 512 K C -1.826 174.257 176.600 -0.862 0.000 1.050 512 K CA -1.253 54.312 56.287 -1.202 0.000 0.956 512 K CB 0.787 32.637 32.500 -1.082 0.000 0.990 512 K HN 0.263 nan 8.250 nan 0.000 0.475 513 P HA 0.056 nan 4.420 nan 0.000 0.276 513 P C -1.115 175.465 177.300 -1.200 0.000 1.244 513 P CA -0.417 61.853 63.100 -1.383 0.000 0.801 513 P CB 0.669 31.103 31.700 -2.111 0.000 1.006 514 D N 0.885 120.864 120.400 -0.701 0.000 2.338 514 D HA 0.038 4.679 4.640 0.003 0.000 0.255 514 D C 0.436 176.454 176.300 -0.470 0.000 1.237 514 D CA -0.190 53.515 54.000 -0.492 0.000 0.883 514 D CB 0.005 40.669 40.800 -0.228 0.000 1.087 514 D HN 0.288 nan 8.370 nan 0.000 0.485 515 W N 3.799 124.942 121.300 -0.261 0.000 2.465 515 W HA 0.117 4.778 4.660 0.003 0.000 0.268 515 W C 1.828 178.316 176.519 -0.052 0.000 1.242 515 W CA 0.435 57.641 57.345 -0.232 0.000 1.248 515 W CB -0.164 29.020 29.460 -0.460 0.000 1.118 515 W HN 0.735 nan 8.180 nan 0.000 0.587 516 G N 0.257 109.148 108.800 0.151 0.000 2.542 516 G HA2 -0.251 3.710 3.960 0.003 0.000 0.235 516 G HA3 -0.251 3.710 3.960 0.003 0.000 0.235 516 G C 0.062 175.099 174.900 0.228 0.000 1.286 516 G CA -0.094 45.091 45.100 0.141 0.000 0.904 516 G HN 0.278 nan 8.290 nan 0.000 0.577 517 T N -0.494 114.132 114.554 0.121 0.000 2.934 517 T HA 0.673 5.024 4.350 0.003 0.000 0.283 517 T C -2.620 171.939 174.700 -0.235 0.000 1.005 517 T CA -1.080 61.045 62.100 0.042 0.000 1.041 517 T CB 1.877 70.743 68.868 -0.003 0.000 1.042 517 T HN 0.516 nan 8.240 nan 0.000 0.505 518 P HA 0.264 nan 4.420 nan 0.000 0.267 518 P C 0.327 177.088 177.300 -0.897 0.000 1.205 518 P CA -0.170 62.212 63.100 -1.198 0.000 0.765 518 P CB 0.582 31.503 31.700 -1.299 0.000 0.828 519 S N 1.164 116.252 115.700 -1.020 0.000 2.496 519 S HA -0.019 4.453 4.470 0.003 0.000 0.224 519 S C 0.514 174.568 174.600 -0.910 0.000 0.996 519 S CA 0.642 58.238 58.200 -1.008 0.000 0.927 519 S CB -0.120 62.021 63.200 -1.766 0.000 0.774 519 S HN 0.535 nan 8.310 nan 0.000 0.524 520 Q N -0.448 118.770 119.800 -0.969 0.000 2.295 520 Q HA 0.334 4.676 4.340 0.003 0.000 0.268 520 Q C -2.229 173.386 176.000 -0.641 0.000 1.010 520 Q CA -0.441 54.995 55.803 -0.611 0.000 0.856 520 Q CB 1.403 29.841 28.738 -0.499 0.000 1.349 520 Q HN 0.302 nan 8.270 nan 0.000 0.412 521 Y N 3.327 123.508 120.300 -0.199 0.000 2.328 521 Y HA 0.465 5.017 4.550 0.003 0.000 0.333 521 Y C 0.041 175.829 175.900 -0.187 0.000 0.958 521 Y CA -0.569 57.420 58.100 -0.184 0.000 1.167 521 Y CB 1.202 39.574 38.460 -0.148 0.000 1.151 521 Y HN 0.429 nan 8.280 nan 0.000 0.470 522 I N 3.166 123.642 120.570 -0.157 0.000 2.396 522 I HA 0.249 4.421 4.170 0.003 0.000 0.292 522 I C -0.605 175.344 176.117 -0.281 0.000 0.999 522 I CA -0.260 60.831 61.300 -0.349 0.000 1.310 522 I CB 1.514 39.013 38.000 -0.835 0.000 1.404 522 I HN 0.581 nan 8.210 nan 0.000 0.496 523 D N 4.420 124.699 120.400 -0.202 0.000 2.381 523 D HA 0.274 4.916 4.640 0.003 0.000 0.245 523 D C -1.327 174.962 176.300 -0.017 0.000 1.297 523 D CA -0.327 53.645 54.000 -0.046 0.000 0.931 523 D CB 0.741 41.559 40.800 0.031 0.000 1.334 523 D HN 0.269 nan 8.370 nan 0.000 0.535 524 D N 1.699 122.106 120.400 0.012 0.000 2.185 524 D HA 0.451 5.092 4.640 0.003 0.000 0.247 524 D C -0.366 176.020 176.300 0.143 0.000 1.027 524 D CA -0.243 53.809 54.000 0.087 0.000 0.861 524 D CB 1.499 42.401 40.800 0.170 0.000 1.202 524 D HN 0.131 nan 8.370 nan 0.000 0.453 525 K N 1.143 121.574 120.400 0.051 0.000 2.463 525 K HA 0.475 4.797 4.320 0.003 0.000 0.255 525 K C -0.969 175.636 176.600 0.007 0.000 0.942 525 K CA -0.653 55.637 56.287 0.005 0.000 0.814 525 K CB 1.979 34.425 32.500 -0.090 0.000 1.122 525 K HN 0.269 nan 8.250 nan 0.000 0.425 526 T N 2.427 116.984 114.554 0.004 0.000 2.823 526 T HA 0.406 4.758 4.350 0.003 0.000 0.279 526 T C -0.672 173.915 174.700 -0.188 0.000 0.998 526 T CA -0.804 61.218 62.100 -0.130 0.000 0.994 526 T CB 1.367 70.169 68.868 -0.109 0.000 0.960 526 T HN 0.269 nan 8.240 nan 0.000 0.448 527 R N 2.507 122.799 120.500 -0.346 0.000 2.514 527 R HA 0.337 4.678 4.340 0.003 0.000 0.296 527 R C -1.625 174.407 176.300 -0.447 0.000 1.012 527 R CA -0.504 55.356 56.100 -0.400 0.000 0.897 527 R CB 1.892 32.013 30.300 -0.297 0.000 1.184 527 R HN 0.814 nan 8.270 nan 0.000 0.440 528 Q N 5.822 125.376 119.800 -0.411 0.000 2.310 528 Q HA 0.476 4.818 4.340 0.003 0.000 0.270 528 Q C -1.238 174.662 176.000 -0.166 0.000 1.025 528 Q CA -0.627 55.039 55.803 -0.228 0.000 0.772 528 Q CB 1.626 30.299 28.738 -0.109 0.000 1.253 528 Q HN 0.552 nan 8.270 nan 0.000 0.450 529 L N 2.433 123.613 121.223 -0.072 0.000 2.334 529 L HA 0.914 5.256 4.340 0.003 0.000 0.273 529 L C 0.187 177.093 176.870 0.060 0.000 1.013 529 L CA -0.983 53.847 54.840 -0.018 0.000 0.816 529 L CB 2.039 44.093 42.059 -0.009 0.000 1.278 529 L HN 0.803 nan 8.230 nan 0.000 0.431 530 G N 0.383 109.237 108.800 0.090 0.000 2.718 530 G HA2 0.643 4.605 3.960 0.003 0.000 0.295 530 G HA3 0.643 4.605 3.960 0.003 0.000 0.295 530 G C -1.613 173.394 174.900 0.180 0.000 1.421 530 G CA -0.299 44.888 45.100 0.145 0.000 0.902 530 G HN 0.452 nan 8.290 nan 0.000 0.501 531 S N -0.327 115.490 115.700 0.196 0.000 2.548 531 S HA 0.738 5.209 4.470 0.003 0.000 0.276 531 S C -1.427 173.302 174.600 0.215 0.000 1.129 531 S CA -0.598 57.679 58.200 0.129 0.000 0.931 531 S CB 1.302 64.543 63.200 0.068 0.000 1.068 531 S HN 0.849 nan 8.310 nan 0.000 0.480 532 Y N -0.349 119.985 120.300 0.057 0.000 2.512 532 Y HA 0.878 5.430 4.550 0.003 0.000 0.348 532 Y C -0.957 174.976 175.900 0.055 0.000 0.990 532 Y CA -1.609 56.517 58.100 0.043 0.000 1.033 532 Y CB 1.070 39.522 38.460 -0.014 0.000 1.259 532 Y HN 0.492 nan 8.280 nan 0.000 0.461 533 M N 2.571 122.272 119.600 0.168 0.000 2.263 533 M HA 0.567 5.049 4.480 0.003 0.000 0.295 533 M C -1.405 174.985 176.300 0.149 0.000 1.028 533 M CA -0.205 55.161 55.300 0.111 0.000 0.921 533 M CB 2.610 35.264 32.600 0.091 0.000 1.601 533 M HN 0.836 nan 8.290 nan 0.000 0.440 534 T N 2.254 116.879 114.554 0.119 0.000 2.840 534 T HA 0.767 5.118 4.350 0.003 0.000 0.287 534 T C -0.745 173.998 174.700 0.071 0.000 0.991 534 T CA -0.767 61.410 62.100 0.128 0.000 0.964 534 T CB 1.401 70.331 68.868 0.103 0.000 0.954 534 T HN 0.662 nan 8.240 nan 0.000 0.438 535 A N 3.179 126.034 122.820 0.059 0.000 2.292 535 A HA 0.752 5.073 4.320 0.003 0.000 0.319 535 A C 0.129 177.612 177.584 -0.169 0.000 1.206 535 A CA -0.828 51.116 52.037 -0.154 0.000 0.835 535 A CB 0.659 19.389 19.000 -0.449 0.000 1.164 535 A HN 0.799 nan 8.150 nan 0.000 0.505 536 R N 2.939 123.251 120.500 -0.314 0.000 2.272 536 R HA 0.494 4.836 4.340 0.003 0.000 0.323 536 R C -1.726 174.365 176.300 -0.348 0.000 1.002 536 R CA -0.304 55.495 56.100 -0.501 0.000 0.900 536 R CB 0.203 30.147 30.300 -0.594 0.000 1.151 536 R HN 0.587 nan 8.270 nan 0.000 0.507 537 F N 2.264 122.102 119.950 -0.188 0.000 2.396 537 F HA 0.199 4.727 4.527 0.003 0.000 0.343 537 F C 1.235 177.078 175.800 0.071 0.000 1.104 537 F CA -0.416 57.539 58.000 -0.074 0.000 1.161 537 F CB 1.041 39.950 39.000 -0.151 0.000 1.146 537 F HN 0.425 nan 8.300 nan 0.000 0.522 538 N N 3.106 122.144 118.700 0.564 0.000 2.918 538 N HA 0.152 4.893 4.740 0.003 0.000 0.247 538 N C 0.604 176.272 175.510 0.265 0.000 1.117 538 N CA -0.154 53.042 53.050 0.244 0.000 1.005 538 N CB 0.675 39.167 38.487 0.008 0.000 1.297 538 N HN 0.467 nan 8.380 nan 0.000 0.513 539 V N 1.345 121.386 119.914 0.211 0.000 2.302 539 V HA -0.051 4.071 4.120 0.003 0.000 0.243 539 V C 1.314 177.476 176.094 0.113 0.000 1.036 539 V CA 1.275 63.670 62.300 0.158 0.000 1.020 539 V CB -0.406 31.472 31.823 0.093 0.000 0.657 539 V HN 0.463 nan 8.190 nan 0.000 0.453 540 T N -0.719 113.900 114.554 0.108 0.000 2.708 540 T HA 0.305 4.656 4.350 0.003 0.000 0.256 540 T C 0.204 174.951 174.700 0.078 0.000 0.946 540 T CA -0.301 61.855 62.100 0.094 0.000 1.039 540 T CB 0.771 69.711 68.868 0.120 0.000 1.557 540 T HN 0.208 nan 8.240 nan 0.000 0.576 541 D N 0.483 120.923 120.400 0.067 0.000 2.349 541 D HA 0.158 4.800 4.640 0.003 0.000 0.214 541 D C 0.198 176.524 176.300 0.044 0.000 1.063 541 D CA 0.326 54.351 54.000 0.042 0.000 0.847 541 D CB 0.350 41.164 40.800 0.023 0.000 0.933 541 D HN 0.367 nan 8.370 nan 0.000 0.513 542 D N -0.107 120.347 120.400 0.090 0.000 2.480 542 D HA 0.049 4.691 4.640 0.003 0.000 0.243 542 D C 0.142 176.574 176.300 0.221 0.000 1.120 542 D CA -0.156 53.885 54.000 0.068 0.000 0.835 542 D CB 1.555 42.359 40.800 0.008 0.000 1.204 542 D HN 0.056 nan 8.370 nan 0.000 0.513 543 L N 2.046 123.418 121.223 0.250 0.000 2.319 543 L HA 0.438 4.779 4.340 0.003 0.000 0.281 543 L C -1.182 175.791 176.870 0.172 0.000 1.005 543 L CA -0.413 54.584 54.840 0.261 0.000 0.828 543 L CB 1.237 43.422 42.059 0.211 0.000 1.227 543 L HN -0.268 nan 8.230 nan 0.000 0.415 544 N N 4.982 123.787 118.700 0.175 0.000 2.372 544 N HA 0.415 5.156 4.740 0.003 0.000 0.285 544 N C -1.432 174.161 175.510 0.139 0.000 1.008 544 N CA -0.446 52.669 53.050 0.109 0.000 0.880 544 N CB 2.522 41.028 38.487 0.032 0.000 1.239 544 N HN 0.454 nan 8.380 nan 0.000 0.484 545 L N 3.167 124.460 121.223 0.117 0.000 2.287 545 L HA 0.525 4.867 4.340 0.003 0.000 0.287 545 L C -1.198 175.797 176.870 0.208 0.000 1.022 545 L CA -0.393 54.559 54.840 0.185 0.000 0.814 545 L CB 0.191 42.309 42.059 0.099 0.000 1.217 545 L HN 0.348 nan 8.230 nan 0.000 0.420 546 F N 6.043 126.148 119.950 0.257 0.000 2.385 546 F HA 0.500 5.028 4.527 0.003 0.000 0.360 546 F C -0.185 175.788 175.800 0.289 0.000 1.122 546 F CA -0.384 57.794 58.000 0.296 0.000 1.090 546 F CB 0.873 40.058 39.000 0.309 0.000 1.150 546 F HN 0.181 nan 8.300 nan 0.000 0.472 547 L N 3.575 125.099 121.223 0.502 0.000 2.349 547 L HA 0.862 5.204 4.340 0.003 0.000 0.278 547 L C 0.111 177.221 176.870 0.401 0.000 0.996 547 L CA -0.414 54.676 54.840 0.417 0.000 0.825 547 L CB 1.746 44.045 42.059 0.401 0.000 1.243 547 L HN 0.795 nan 8.230 nan 0.000 0.412 548 G N 1.390 110.430 108.800 0.399 0.000 2.606 548 G HA2 0.786 4.748 3.960 0.003 0.000 0.300 548 G HA3 0.786 4.748 3.960 0.003 0.000 0.300 548 G C -1.393 173.693 174.900 0.311 0.000 1.360 548 G CA -0.121 45.175 45.100 0.326 0.000 0.783 548 G HN 0.806 nan 8.290 nan 0.000 0.484 549 G N -1.224 107.719 108.800 0.238 0.000 2.576 549 G HA2 0.627 4.588 3.960 0.003 0.000 0.290 549 G HA3 0.627 4.588 3.960 0.003 0.000 0.290 549 G C -1.786 173.152 174.900 0.063 0.000 1.442 549 G CA -0.694 44.443 45.100 0.063 0.000 0.792 549 G HN 0.607 nan 8.290 nan 0.000 0.491 550 R N 0.159 120.577 120.500 -0.136 0.000 2.502 550 R HA 0.540 4.881 4.340 0.003 0.000 0.298 550 R C -0.614 175.738 176.300 0.086 0.000 1.018 550 R CA -0.618 55.510 56.100 0.046 0.000 0.899 550 R CB 1.837 32.129 30.300 -0.013 0.000 1.181 550 R HN 0.889 nan 8.270 nan 0.000 0.444 551 V N 3.850 123.903 119.914 0.233 0.000 2.488 551 V HA 0.512 4.633 4.120 0.003 0.000 0.277 551 V C -0.662 175.546 176.094 0.189 0.000 1.046 551 V CA -0.121 62.324 62.300 0.243 0.000 0.986 551 V CB 1.474 33.453 31.823 0.259 0.000 0.989 551 V HN 0.432 nan 8.190 nan 0.000 0.475 552 V N 5.113 125.154 119.914 0.211 0.000 2.555 552 V HA 0.583 4.705 4.120 0.003 0.000 0.302 552 V C -0.555 175.678 176.094 0.232 0.000 1.038 552 V CA -0.421 62.025 62.300 0.242 0.000 0.887 552 V CB 1.737 33.791 31.823 0.385 0.000 0.991 552 V HN 1.028 nan 8.190 nan 0.000 0.434 553 D N 2.243 122.766 120.400 0.204 0.000 2.620 553 D HA 0.376 5.018 4.640 0.003 0.000 0.252 553 D C -1.832 174.591 176.300 0.205 0.000 1.207 553 D CA -0.226 53.874 54.000 0.166 0.000 0.884 553 D CB 1.772 42.626 40.800 0.089 0.000 1.262 553 D HN 0.518 nan 8.370 nan 0.000 0.552 554 Y N 2.765 123.117 120.300 0.087 0.000 2.391 554 Y HA 0.502 5.053 4.550 0.003 0.000 0.341 554 Y C -0.939 174.988 175.900 0.045 0.000 0.965 554 Y CA -0.861 57.277 58.100 0.064 0.000 1.067 554 Y CB 1.467 39.999 38.460 0.121 0.000 1.199 554 Y HN 0.320 nan 8.280 nan 0.000 0.450 555 R N 5.235 125.613 120.500 -0.204 0.000 2.515 555 R HA 0.645 4.986 4.340 0.003 0.000 0.291 555 R C -2.303 173.882 176.300 -0.193 0.000 1.046 555 R CA -0.781 55.264 56.100 -0.092 0.000 0.914 555 R CB 1.666 31.932 30.300 -0.057 0.000 1.191 555 R HN 0.543 nan 8.270 nan 0.000 0.435 556 V N 3.154 123.039 119.914 -0.049 0.000 2.483 556 V HA 0.647 4.769 4.120 0.003 0.000 0.297 556 V C -0.570 175.536 176.094 0.020 0.000 1.027 556 V CA -0.109 62.176 62.300 -0.025 0.000 0.855 556 V CB 1.771 33.619 31.823 0.041 0.000 0.995 556 V HN 0.882 nan 8.190 nan 0.000 0.424 557 T N 3.551 118.110 114.554 0.009 0.000 2.902 557 T HA 0.953 5.305 4.350 0.003 0.000 0.283 557 T C 0.227 174.939 174.700 0.021 0.000 1.009 557 T CA 0.279 62.388 62.100 0.015 0.000 1.051 557 T CB 1.364 70.233 68.868 0.001 0.000 0.999 557 T HN 1.772 nan 8.240 nan 0.000 0.474 558 G N 1.287 110.101 108.800 0.024 0.000 2.578 558 G HA2 0.410 4.371 3.960 0.003 0.000 0.302 558 G HA3 0.410 4.371 3.960 0.003 0.000 0.302 558 G C 0.138 175.051 174.900 0.022 0.000 1.243 558 G CA -0.175 44.937 45.100 0.021 0.000 0.843 558 G HN 0.990 nan 8.290 nan 0.000 0.486 559 L N 0.359 121.597 121.223 0.024 0.000 2.046 559 L HA 0.233 4.575 4.340 0.003 0.000 0.208 559 L C 0.802 177.704 176.870 0.053 0.000 1.077 559 L CA 1.232 56.094 54.840 0.038 0.000 0.747 559 L CB -0.873 41.214 42.059 0.047 0.000 0.896 559 L HN 0.397 nan 8.230 nan 0.000 0.432 560 N N 0.781 119.520 118.700 0.065 0.000 2.467 560 N HA 0.189 4.931 4.740 0.003 0.000 0.262 560 N C -2.289 173.251 175.510 0.051 0.000 1.234 560 N CA -1.168 51.923 53.050 0.069 0.000 0.952 560 N CB -0.283 38.251 38.487 0.078 0.000 1.158 560 N HN 0.115 nan 8.380 nan 0.000 0.463 561 P HA -0.016 nan 4.420 nan 0.000 0.264 561 P C -0.249 177.075 177.300 0.039 0.000 1.183 561 P CA 0.410 63.535 63.100 0.041 0.000 0.763 561 P CB 0.176 31.901 31.700 0.042 0.000 0.807 562 T N 3.838 118.414 114.554 0.037 0.000 2.891 562 T HA 0.038 4.389 4.350 0.003 0.000 0.296 562 T C 0.703 175.433 174.700 0.050 0.000 1.025 562 T CA 0.556 62.680 62.100 0.040 0.000 1.149 562 T CB -0.405 68.483 68.868 0.035 0.000 1.007 562 T HN 0.173 nan 8.240 nan 0.000 0.528 563 I N 3.972 124.583 120.570 0.067 0.000 2.428 563 I HA 0.472 4.644 4.170 0.003 0.000 0.296 563 I C 0.807 176.995 176.117 0.119 0.000 0.985 563 I CA -0.465 60.891 61.300 0.094 0.000 1.260 563 I CB 0.921 38.995 38.000 0.123 0.000 1.389 563 I HN 0.263 nan 8.210 nan 0.000 0.484 564 R N 4.988 125.558 120.500 0.117 0.000 2.984 564 R HA 0.203 4.544 4.340 0.003 0.000 0.252 564 R C -1.366 174.996 176.300 0.104 0.000 1.842 564 R CA -0.434 55.728 56.100 0.105 0.000 1.389 564 R CB 0.666 31.004 30.300 0.064 0.000 1.454 564 R HN 0.537 nan 8.270 nan 0.000 0.578 565 E N 0.890 121.186 120.200 0.160 0.000 2.174 565 E HA 0.321 4.673 4.350 0.003 0.000 0.282 565 E C -0.748 175.922 176.600 0.116 0.000 0.992 565 E CA -0.223 56.245 56.400 0.113 0.000 0.803 565 E CB 2.032 31.807 29.700 0.126 0.000 1.090 565 E HN 0.176 nan 8.360 nan 0.000 0.396 566 S N 0.344 116.080 115.700 0.060 0.000 2.532 566 S HA 0.510 4.982 4.470 0.003 0.000 0.299 566 S C 0.422 175.051 174.600 0.049 0.000 1.105 566 S CA -0.033 58.205 58.200 0.063 0.000 1.018 566 S CB 1.562 64.791 63.200 0.049 0.000 1.021 566 S HN 0.720 nan 8.310 nan 0.000 0.483 567 G N 3.123 111.967 108.800 0.073 0.000 2.283 567 G HA2 -0.231 3.730 3.960 0.003 0.000 0.280 567 G HA3 -0.231 3.730 3.960 0.003 0.000 0.280 567 G C 0.048 174.996 174.900 0.081 0.000 1.029 567 G CA 0.156 45.304 45.100 0.080 0.000 0.840 567 G HN 0.603 nan 8.290 nan 0.000 0.505 568 R N -1.046 119.487 120.500 0.055 0.000 2.438 568 R HA 0.446 4.787 4.340 0.003 0.000 0.287 568 R C -0.395 175.988 176.300 0.138 0.000 1.077 568 R CA -0.456 55.633 56.100 -0.018 0.000 1.034 568 R CB 0.547 30.629 30.300 -0.363 0.000 0.993 568 R HN 0.172 nan 8.270 nan 0.000 0.459 569 F N 4.247 124.189 119.950 -0.013 0.000 2.420 569 F HA 0.418 4.947 4.527 0.003 0.000 0.342 569 F C -0.276 175.565 175.800 0.069 0.000 1.113 569 F CA -0.880 57.148 58.000 0.047 0.000 1.059 569 F CB 0.823 39.848 39.000 0.041 0.000 1.128 569 F HN 0.313 nan 8.300 nan 0.000 0.475 570 I N 8.414 128.536 120.570 -0.746 0.000 2.437 570 I HA 0.293 4.464 4.170 0.003 0.000 0.279 570 I C -2.412 173.212 176.117 -0.821 0.000 1.028 570 I CA -2.031 58.965 61.300 -0.507 0.000 1.142 570 I CB 1.404 39.260 38.000 -0.240 0.000 1.266 570 I HN 0.364 nan 8.210 nan 0.000 0.461 571 P HA 0.113 nan 4.420 nan 0.000 0.278 571 P C -1.429 175.870 177.300 -0.002 0.000 1.238 571 P CA -0.128 62.880 63.100 -0.152 0.000 0.794 571 P CB 0.828 32.688 31.700 0.266 0.000 0.955 572 Y N 2.226 122.520 120.300 -0.010 0.000 2.326 572 Y HA 0.494 5.045 4.550 0.003 0.000 0.331 572 Y C -1.193 174.792 175.900 0.143 0.000 0.962 572 Y CA -0.577 57.533 58.100 0.016 0.000 1.167 572 Y CB 1.388 39.845 38.460 -0.004 0.000 1.148 572 Y HN 0.070 nan 8.280 nan 0.000 0.463 573 V N 5.238 125.066 119.914 -0.144 0.000 2.623 573 V HA 0.892 5.014 4.120 0.003 0.000 0.304 573 V C -0.286 175.696 176.094 -0.188 0.000 1.054 573 V CA -0.356 61.926 62.300 -0.030 0.000 0.882 573 V CB 1.625 33.508 31.823 0.100 0.000 1.002 573 V HN 0.948 nan 8.190 nan 0.000 0.424 574 G N 2.623 111.388 108.800 -0.059 0.000 2.703 574 G HA2 0.858 4.820 3.960 0.003 0.000 0.294 574 G HA3 0.858 4.820 3.960 0.003 0.000 0.294 574 G C -1.407 173.646 174.900 0.256 0.000 1.451 574 G CA 0.046 45.134 45.100 -0.019 0.000 0.869 574 G HN 1.155 nan 8.290 nan 0.000 0.516 575 A N -0.548 122.423 122.820 0.252 0.000 2.515 575 A HA 0.929 5.251 4.320 0.003 0.000 0.296 575 A C -1.267 176.525 177.584 0.346 0.000 1.094 575 A CA -0.722 51.513 52.037 0.331 0.000 0.718 575 A CB 2.214 21.337 19.000 0.206 0.000 1.307 575 A HN 2.145 nan 8.150 nan 0.000 0.408 576 V N 1.531 121.667 119.914 0.370 0.000 2.612 576 V HA 0.651 4.772 4.120 0.003 0.000 0.301 576 V C -2.229 174.062 176.094 0.328 0.000 1.059 576 V CA -0.447 62.059 62.300 0.343 0.000 0.886 576 V CB 1.514 33.528 31.823 0.318 0.000 1.007 576 V HN 1.081 nan 8.190 nan 0.000 0.426 577 Y N 5.730 126.122 120.300 0.153 0.000 2.328 577 Y HA 0.592 5.143 4.550 0.003 0.000 0.333 577 Y C -0.067 175.894 175.900 0.102 0.000 0.958 577 Y CA -1.295 56.871 58.100 0.110 0.000 1.167 577 Y CB 1.222 39.736 38.460 0.090 0.000 1.151 577 Y HN 0.729 nan 8.280 nan 0.000 0.470 578 D N 7.261 127.496 120.400 -0.274 0.000 2.383 578 D HA 0.086 4.727 4.640 0.003 0.000 0.252 578 D C 0.941 176.931 176.300 -0.517 0.000 1.166 578 D CA 0.303 54.130 54.000 -0.289 0.000 0.879 578 D CB 1.677 42.383 40.800 -0.156 0.000 1.164 578 D HN 0.728 nan 8.370 nan 0.000 0.462 579 L N 1.949 123.006 121.223 -0.276 0.000 2.202 579 L HA -0.062 4.280 4.340 0.003 0.000 0.205 579 L C 0.791 177.598 176.870 -0.106 0.000 1.083 579 L CA 0.755 55.473 54.840 -0.205 0.000 0.790 579 L CB -0.242 41.783 42.059 -0.056 0.000 0.942 579 L HN 0.440 nan 8.230 nan 0.000 0.452 580 N N -3.716 114.955 118.700 -0.048 0.000 3.449 580 N HA 0.050 4.792 4.740 0.003 0.000 0.312 580 N C -0.030 175.461 175.510 -0.033 0.000 1.582 580 N CA -0.590 52.446 53.050 -0.024 0.000 0.850 580 N CB -0.052 38.450 38.487 0.024 0.000 1.822 580 N HN -0.286 nan 8.380 nan 0.000 0.577 581 D N -0.388 119.994 120.400 -0.030 0.000 2.149 581 D HA -0.149 4.492 4.640 0.003 0.000 0.194 581 D C 0.759 176.991 176.300 -0.115 0.000 1.001 581 D CA 2.196 56.162 54.000 -0.057 0.000 0.849 581 D CB -0.173 40.602 40.800 -0.042 0.000 0.939 581 D HN 0.618 nan 8.370 nan 0.000 0.449 582 T N -0.896 113.573 114.554 -0.142 0.000 2.983 582 T HA 0.011 4.363 4.350 0.003 0.000 0.250 582 T C 0.358 174.735 174.700 -0.537 0.000 1.037 582 T CA 0.481 62.342 62.100 -0.399 0.000 1.142 582 T CB 0.230 68.817 68.868 -0.468 0.000 0.876 582 T HN 0.032 nan 8.240 nan 0.000 0.455 583 Y N 0.737 120.959 120.300 -0.129 0.000 2.549 583 Y HA 0.625 5.176 4.550 0.003 0.000 0.339 583 Y C 0.039 175.897 175.900 -0.070 0.000 1.053 583 Y CA -1.047 56.996 58.100 -0.095 0.000 1.105 583 Y CB 1.847 40.277 38.460 -0.050 0.000 1.258 583 Y HN -0.114 nan 8.280 nan 0.000 0.478 584 S N 0.861 116.655 115.700 0.156 0.000 2.540 584 S HA 0.605 5.076 4.470 0.003 0.000 0.275 584 S C -1.065 173.656 174.600 0.201 0.000 1.123 584 S CA -1.026 57.245 58.200 0.118 0.000 0.907 584 S CB 1.476 64.729 63.200 0.088 0.000 1.081 584 S HN 0.489 nan 8.310 nan 0.000 0.476 585 V N 1.400 121.434 119.914 0.201 0.000 2.644 585 V HA 0.818 4.940 4.120 0.003 0.000 0.295 585 V C -0.764 175.524 176.094 0.323 0.000 1.053 585 V CA -0.682 61.761 62.300 0.238 0.000 0.987 585 V CB 0.124 32.060 31.823 0.190 0.000 1.006 585 V HN 0.933 nan 8.190 nan 0.000 0.472 586 Y N 1.391 121.766 120.300 0.125 0.000 2.524 586 Y HA 0.954 5.506 4.550 0.003 0.000 0.347 586 Y C -0.478 175.479 175.900 0.094 0.000 1.005 586 Y CA -0.948 57.219 58.100 0.113 0.000 1.025 586 Y CB 1.510 40.021 38.460 0.085 0.000 1.275 586 Y HN 1.043 nan 8.280 nan 0.000 0.460 587 A N 2.120 124.985 122.820 0.075 0.000 2.469 587 A HA 0.959 5.281 4.320 0.003 0.000 0.299 587 A C -0.855 176.770 177.584 0.069 0.000 1.098 587 A CA -0.173 51.855 52.037 -0.015 0.000 0.737 587 A CB 1.469 20.478 19.000 0.016 0.000 1.312 587 A HN 1.827 nan 8.150 nan 0.000 0.414 588 S N -0.389 115.331 115.700 0.033 0.000 2.578 588 S HA 0.576 5.048 4.470 0.003 0.000 0.272 588 S C -1.734 172.854 174.600 -0.020 0.000 1.145 588 S CA -0.528 57.655 58.200 -0.029 0.000 0.835 588 S CB 0.922 64.053 63.200 -0.115 0.000 1.104 588 S HN 1.767 nan 8.310 nan 0.000 0.458 589 Y N 2.000 122.137 120.300 -0.270 0.000 2.327 589 Y HA 0.620 5.172 4.550 0.003 0.000 0.325 589 Y C -0.328 175.373 175.900 -0.332 0.000 0.999 589 Y CA 0.126 58.019 58.100 -0.344 0.000 1.195 589 Y CB 1.485 39.773 38.460 -0.288 0.000 1.132 589 Y HN 1.139 nan 8.280 nan 0.000 0.455 590 T N 2.270 116.424 114.554 -0.666 0.000 2.916 590 T HA 0.579 4.930 4.350 0.003 0.000 0.292 590 T C -1.442 172.895 174.700 -0.604 0.000 1.064 590 T CA -0.855 60.957 62.100 -0.480 0.000 1.011 590 T CB 2.606 71.333 68.868 -0.235 0.000 1.152 590 T HN 0.595 nan 8.240 nan 0.000 0.510 591 D N -0.220 119.939 120.400 -0.401 0.000 2.602 591 D HA 0.627 5.269 4.640 0.003 0.000 0.236 591 D C -1.554 174.609 176.300 -0.228 0.000 1.209 591 D CA -0.522 53.274 54.000 -0.340 0.000 0.831 591 D CB 3.174 43.781 40.800 -0.322 0.000 1.478 591 D HN 0.688 nan 8.370 nan 0.000 0.438 592 I N 1.669 122.129 120.570 -0.185 0.000 3.102 592 I HA 0.616 4.788 4.170 0.003 0.000 0.310 592 I C -1.605 174.484 176.117 -0.046 0.000 1.246 592 I CA -0.796 60.401 61.300 -0.172 0.000 0.979 592 I CB 2.313 40.162 38.000 -0.251 0.000 1.267 592 I HN 0.424 nan 8.210 nan 0.000 0.451 593 F N 4.259 124.104 119.950 -0.174 0.000 2.664 593 F HA 0.879 5.408 4.527 0.003 0.000 0.317 593 F C -1.538 174.147 175.800 -0.191 0.000 1.108 593 F CA -1.036 56.867 58.000 -0.161 0.000 0.957 593 F CB 1.733 40.655 39.000 -0.130 0.000 1.365 593 F HN 0.364 nan 8.300 nan 0.000 0.475 594 M N 3.142 122.696 119.600 -0.077 0.000 2.234 594 M HA 0.540 5.022 4.480 0.003 0.000 0.267 594 M C -3.203 173.060 176.300 -0.061 0.000 1.022 594 M CA -2.825 52.323 55.300 -0.254 0.000 0.993 594 M CB 1.974 34.430 32.600 -0.239 0.000 1.836 594 M HN 0.349 nan 8.290 nan 0.000 0.479 595 P HA 0.296 nan 4.420 nan 0.000 0.271 595 P C -1.357 175.900 177.300 -0.073 0.000 1.218 595 P CA -0.219 62.850 63.100 -0.051 0.000 0.780 595 P CB 0.525 32.180 31.700 -0.076 0.000 0.901 596 Q N 1.774 121.551 119.800 -0.039 0.000 2.293 596 Q HA 0.135 4.476 4.340 0.003 0.000 0.251 596 Q C -0.325 175.611 176.000 -0.107 0.000 0.930 596 Q CA -0.226 55.553 55.803 -0.041 0.000 0.893 596 Q CB 0.166 28.898 28.738 -0.010 0.000 1.215 596 Q HN 0.377 nan 8.270 nan 0.000 0.425 597 D N 1.130 121.429 120.400 -0.169 0.000 2.601 597 D HA -0.136 4.505 4.640 0.003 0.000 0.229 597 D C 0.744 176.537 176.300 -0.846 0.000 1.140 597 D CA 0.500 54.139 54.000 -0.603 0.000 0.862 597 D CB 0.781 41.018 40.800 -0.938 0.000 1.192 597 D HN 0.683 nan 8.370 nan 0.000 0.480 598 S N 2.175 117.374 115.700 -0.835 0.000 2.465 598 S HA -0.175 4.297 4.470 0.003 0.000 0.241 598 S C 1.409 175.809 174.600 -0.333 0.000 1.000 598 S CA 1.009 58.954 58.200 -0.425 0.000 0.964 598 S CB -0.296 62.798 63.200 -0.177 0.000 0.763 598 S HN 0.637 nan 8.310 nan 0.000 0.512 599 W N -0.590 120.616 121.300 -0.156 0.000 3.139 599 W HA 0.416 5.078 4.660 0.003 0.000 0.260 599 W C -0.359 176.037 176.519 -0.204 0.000 1.312 599 W CA -0.895 56.342 57.345 -0.179 0.000 1.606 599 W CB -0.922 28.411 29.460 -0.212 0.000 1.118 599 W HN 0.099 nan 8.180 nan 0.000 0.675 600 Y N 3.307 123.522 120.300 -0.142 0.000 2.632 600 Y HA 0.385 4.937 4.550 0.003 0.000 0.336 600 Y C 0.569 176.466 175.900 -0.006 0.000 1.237 600 Y CA -1.140 56.820 58.100 -0.233 0.000 1.595 600 Y CB -0.454 37.768 38.460 -0.396 0.000 1.508 600 Y HN -0.109 nan 8.280 nan 0.000 0.480 601 R N 0.906 121.601 120.500 0.325 0.000 2.778 601 R HA 0.350 4.691 4.340 0.003 0.000 0.277 601 R C -0.437 175.996 176.300 0.221 0.000 0.977 601 R CA -1.149 55.081 56.100 0.217 0.000 0.950 601 R CB 1.310 31.714 30.300 0.173 0.000 1.165 601 R HN 0.462 nan 8.270 nan 0.000 0.474 602 D N -0.017 120.440 120.400 0.094 0.000 2.447 602 D HA 0.054 4.696 4.640 0.003 0.000 0.265 602 D C 0.554 176.779 176.300 -0.125 0.000 1.250 602 D CA -0.482 53.517 54.000 -0.002 0.000 1.046 602 D CB 0.261 41.047 40.800 -0.023 0.000 1.095 602 D HN 0.221 nan 8.370 nan 0.000 0.555 603 S N -1.054 114.464 115.700 -0.303 0.000 2.380 603 S HA -0.185 4.286 4.470 0.003 0.000 0.229 603 S C 1.829 176.261 174.600 -0.280 0.000 1.043 603 S CA 1.638 59.493 58.200 -0.574 0.000 1.038 603 S CB -0.482 62.377 63.200 -0.569 0.000 0.872 603 S HN 0.515 nan 8.310 nan 0.000 0.456 604 S N 0.682 116.296 115.700 -0.143 0.000 2.603 604 S HA 0.120 4.591 4.470 0.003 0.000 0.220 604 S C 0.838 175.424 174.600 -0.023 0.000 0.967 604 S CA 0.129 58.290 58.200 -0.065 0.000 0.920 604 S CB -0.234 62.941 63.200 -0.040 0.000 0.773 604 S HN 0.559 nan 8.310 nan 0.000 0.529 605 N N 0.834 119.522 118.700 -0.019 0.000 2.909 605 N HA -0.162 4.580 4.740 0.003 0.000 0.242 605 N C -0.705 174.826 175.510 0.036 0.000 0.975 605 N CA 0.992 54.058 53.050 0.026 0.000 0.921 605 N CB -1.192 37.320 38.487 0.041 0.000 1.112 605 N HN 0.450 nan 8.380 nan 0.000 0.581 606 K N 0.314 120.727 120.400 0.022 0.000 2.202 606 K HA 0.259 4.580 4.320 0.003 0.000 0.264 606 K C 0.383 177.006 176.600 0.039 0.000 1.010 606 K CA -0.777 55.526 56.287 0.027 0.000 0.940 606 K CB 1.035 33.544 32.500 0.015 0.000 0.983 606 K HN 0.114 nan 8.250 nan 0.000 0.475 607 L N 2.539 123.784 121.223 0.037 0.000 2.467 607 L HA 0.106 4.447 4.340 0.003 0.000 0.270 607 L C -0.277 176.614 176.870 0.035 0.000 1.205 607 L CA 0.197 55.061 54.840 0.039 0.000 0.828 607 L CB 0.340 42.411 42.059 0.021 0.000 1.101 607 L HN 0.435 nan 8.230 nan 0.000 0.479 608 L N 2.184 123.432 121.223 0.042 0.000 2.464 608 L HA 0.157 4.499 4.340 0.003 0.000 0.264 608 L C 0.461 177.336 176.870 0.008 0.000 1.199 608 L CA -0.481 54.375 54.840 0.027 0.000 0.818 608 L CB 0.288 42.360 42.059 0.022 0.000 1.102 608 L HN 0.624 nan 8.230 nan 0.000 0.473 609 E N 2.433 122.633 120.200 0.001 0.000 2.413 609 E HA 0.058 4.410 4.350 0.003 0.000 0.263 609 E C -2.252 174.342 176.600 -0.009 0.000 1.015 609 E CA -1.105 55.289 56.400 -0.010 0.000 0.916 609 E CB 0.358 30.051 29.700 -0.012 0.000 0.947 609 E HN 0.170 nan 8.360 nan 0.000 0.440 610 P HA -0.170 nan 4.420 nan 0.000 0.259 610 P C -0.711 176.610 177.300 0.035 0.000 1.155 610 P CA 0.439 63.558 63.100 0.031 0.000 0.759 610 P CB 0.328 32.067 31.700 0.066 0.000 0.753 611 D N 3.105 123.515 120.400 0.017 0.000 2.458 611 D HA 0.050 4.692 4.640 0.003 0.000 0.243 611 D C -0.094 176.220 176.300 0.023 0.000 1.146 611 D CA 0.794 54.796 54.000 0.003 0.000 0.877 611 D CB 0.329 41.113 40.800 -0.026 0.000 1.176 611 D HN 0.325 nan 8.370 nan 0.000 0.461 612 E N 1.231 121.441 120.200 0.017 0.000 2.392 612 E HA 0.659 5.011 4.350 0.003 0.000 0.279 612 E C -1.267 175.324 176.600 -0.015 0.000 0.964 612 E CA -0.987 55.427 56.400 0.022 0.000 0.777 612 E CB 1.688 31.416 29.700 0.047 0.000 1.249 612 E HN 0.482 nan 8.360 nan 0.000 0.449 613 G N 1.815 110.581 108.800 -0.057 0.000 2.655 613 G HA2 0.390 4.351 3.960 0.003 0.000 0.296 613 G HA3 0.390 4.351 3.960 0.003 0.000 0.296 613 G C -1.830 172.993 174.900 -0.129 0.000 1.485 613 G CA -0.744 44.319 45.100 -0.061 0.000 0.869 613 G HN 0.261 nan 8.290 nan 0.000 0.540 614 Q N 0.068 119.813 119.800 -0.093 0.000 2.245 614 Q HA 0.534 4.876 4.340 0.003 0.000 0.256 614 Q C -0.197 175.667 176.000 -0.226 0.000 0.942 614 Q CA -0.867 54.753 55.803 -0.304 0.000 0.896 614 Q CB 1.924 30.413 28.738 -0.415 0.000 1.272 614 Q HN 0.620 nan 8.270 nan 0.000 0.442 615 N N 0.933 119.427 118.700 -0.344 0.000 2.444 615 N HA 0.331 5.073 4.740 0.003 0.000 0.262 615 N C -1.690 173.707 175.510 -0.190 0.000 0.974 615 N CA -0.338 52.617 53.050 -0.157 0.000 0.933 615 N CB 0.529 38.913 38.487 -0.171 0.000 1.137 615 N HN 0.382 nan 8.380 nan 0.000 0.498 616 Y N 1.469 121.763 120.300 -0.011 0.000 2.335 616 Y HA 0.376 4.928 4.550 0.003 0.000 0.339 616 Y C 0.183 176.119 175.900 0.060 0.000 0.987 616 Y CA -0.710 57.410 58.100 0.033 0.000 1.140 616 Y CB 1.236 39.704 38.460 0.012 0.000 1.173 616 Y HN 0.472 nan 8.280 nan 0.000 0.486 617 E N 3.579 123.885 120.200 0.176 0.000 2.256 617 E HA 0.589 4.940 4.350 0.003 0.000 0.268 617 E C -1.644 174.945 176.600 -0.018 0.000 0.877 617 E CA -0.601 55.867 56.400 0.115 0.000 0.757 617 E CB 1.761 31.532 29.700 0.119 0.000 1.183 617 E HN 0.627 nan 8.360 nan 0.000 0.418 618 I N 3.142 123.681 120.570 -0.052 0.000 2.498 618 I HA 0.702 4.874 4.170 0.003 0.000 0.290 618 I C -0.409 175.509 176.117 -0.331 0.000 1.032 618 I CA -0.340 60.844 61.300 -0.193 0.000 1.073 618 I CB 1.780 39.765 38.000 -0.024 0.000 1.251 618 I HN 0.701 nan 8.210 nan 0.000 0.426 619 G N 6.435 114.822 108.800 -0.689 0.000 2.660 619 G HA2 0.609 4.571 3.960 0.003 0.000 0.290 619 G HA3 0.609 4.571 3.960 0.003 0.000 0.290 619 G C -2.224 172.644 174.900 -0.053 0.000 1.432 619 G CA -0.459 44.360 45.100 -0.469 0.000 0.807 619 G HN 0.520 nan 8.290 nan 0.000 0.485 620 I N -0.054 120.650 120.570 0.223 0.000 2.533 620 I HA 0.578 4.750 4.170 0.003 0.000 0.290 620 I C -0.909 175.408 176.117 0.333 0.000 1.056 620 I CA -0.830 60.629 61.300 0.264 0.000 1.057 620 I CB 1.866 39.953 38.000 0.146 0.000 1.240 620 I HN 0.292 nan 8.210 nan 0.000 0.423 621 K N 5.175 125.761 120.400 0.309 0.000 2.397 621 K HA 0.631 4.953 4.320 0.003 0.000 0.253 621 K C -0.583 176.090 176.600 0.121 0.000 0.932 621 K CA -0.747 55.658 56.287 0.196 0.000 0.795 621 K CB 2.203 34.749 32.500 0.077 0.000 1.159 621 K HN 0.719 nan 8.250 nan 0.000 0.424 622 G N 1.532 110.339 108.800 0.011 0.000 2.432 622 G HA2 0.475 4.436 3.960 0.003 0.000 0.331 622 G HA3 0.475 4.436 3.960 0.003 0.000 0.331 622 G C -1.313 173.230 174.900 -0.594 0.000 1.170 622 G CA -0.249 44.547 45.100 -0.506 0.000 0.943 622 G HN 0.568 nan 8.290 nan 0.000 0.483 623 E N -0.170 119.445 120.200 -0.976 0.000 2.290 623 E HA 0.586 4.938 4.350 0.003 0.000 0.274 623 E C -1.649 174.428 176.600 -0.872 0.000 0.889 623 E CA -0.673 55.327 56.400 -0.666 0.000 0.760 623 E CB 1.724 31.222 29.700 -0.337 0.000 1.206 623 E HN 0.488 nan 8.360 nan 0.000 0.419 624 Y N 2.471 122.697 120.300 -0.124 0.000 2.605 624 Y HA 0.424 4.975 4.550 0.003 0.000 0.343 624 Y C 0.118 175.980 175.900 -0.064 0.000 1.036 624 Y CA -1.304 56.735 58.100 -0.101 0.000 1.065 624 Y CB 1.319 39.722 38.460 -0.095 0.000 1.288 624 Y HN 0.482 nan 8.280 nan 0.000 0.481 625 L N 2.752 124.042 121.223 0.110 0.000 3.762 625 L HA -0.365 3.976 4.340 0.003 0.000 0.460 625 L C -0.303 176.585 176.870 0.029 0.000 1.255 625 L CA 0.895 55.770 54.840 0.059 0.000 0.783 625 L CB -0.998 41.096 42.059 0.058 0.000 1.600 625 L HN 0.900 nan 8.230 nan 0.000 0.862 626 D N -0.680 119.724 120.400 0.007 0.000 3.077 626 D HA -0.240 4.402 4.640 0.003 0.000 0.217 626 D C 1.252 177.547 176.300 -0.008 0.000 1.162 626 D CA 1.877 55.874 54.000 -0.005 0.000 0.943 626 D CB -0.883 39.918 40.800 0.003 0.000 1.122 626 D HN 1.014 nan 8.370 nan 0.000 0.413 627 G N -0.571 108.225 108.800 -0.007 0.000 2.192 627 G HA2 -0.320 3.641 3.960 0.003 0.000 0.193 627 G HA3 -0.320 3.641 3.960 0.003 0.000 0.193 627 G C 0.963 175.872 174.900 0.016 0.000 0.999 627 G CA 0.472 45.569 45.100 -0.005 0.000 0.659 627 G HN 0.415 nan 8.290 nan 0.000 0.503 628 R N -1.008 119.507 120.500 0.025 0.000 2.193 628 R HA 0.408 4.750 4.340 0.003 0.000 0.213 628 R C 0.684 177.008 176.300 0.040 0.000 1.055 628 R CA 0.906 57.023 56.100 0.029 0.000 0.995 628 R CB 0.140 30.454 30.300 0.023 0.000 0.893 628 R HN 0.393 nan 8.270 nan 0.000 0.459 629 L N 0.246 121.511 121.223 0.071 0.000 2.410 629 L HA 0.389 4.730 4.340 0.003 0.000 0.270 629 L C -1.540 175.428 176.870 0.163 0.000 0.983 629 L CA -0.487 54.416 54.840 0.105 0.000 0.822 629 L CB 2.120 44.240 42.059 0.101 0.000 1.285 629 L HN -0.092 nan 8.230 nan 0.000 0.409 630 N N 1.173 119.949 118.700 0.128 0.000 2.272 630 N HA 0.844 5.586 4.740 0.003 0.000 0.305 630 N C -1.379 174.224 175.510 0.156 0.000 1.103 630 N CA -0.581 52.536 53.050 0.112 0.000 0.791 630 N CB 2.138 40.654 38.487 0.048 0.000 1.356 630 N HN 0.703 nan 8.380 nan 0.000 0.486 631 T N -1.942 112.717 114.554 0.175 0.000 2.903 631 T HA 0.821 5.172 4.350 0.003 0.000 0.299 631 T C -0.868 173.927 174.700 0.159 0.000 1.093 631 T CA -0.846 61.371 62.100 0.196 0.000 1.002 631 T CB 1.440 70.502 68.868 0.324 0.000 1.127 631 T HN 0.446 nan 8.240 nan 0.000 0.488 632 S N 1.434 117.236 115.700 0.170 0.000 2.537 632 S HA 0.735 5.206 4.470 0.003 0.000 0.270 632 S C -1.412 173.314 174.600 0.210 0.000 1.142 632 S CA -0.993 57.323 58.200 0.193 0.000 0.870 632 S CB 1.698 64.996 63.200 0.164 0.000 1.112 632 S HN 1.138 nan 8.310 nan 0.000 0.466 633 L N 2.063 123.424 121.223 0.230 0.000 2.410 633 L HA 0.905 5.247 4.340 0.003 0.000 0.270 633 L C -1.048 175.963 176.870 0.235 0.000 0.983 633 L CA -0.587 54.380 54.840 0.212 0.000 0.822 633 L CB 1.710 43.855 42.059 0.145 0.000 1.285 633 L HN 1.186 nan 8.230 nan 0.000 0.409 634 A N 3.741 126.727 122.820 0.276 0.000 2.455 634 A HA 0.509 4.830 4.320 0.003 0.000 0.300 634 A C -2.191 175.601 177.584 0.346 0.000 1.040 634 A CA -0.396 51.808 52.037 0.279 0.000 0.697 634 A CB 1.284 20.484 19.000 0.334 0.000 1.265 634 A HN 0.673 nan 8.150 nan 0.000 0.407 635 Y N 2.671 123.050 120.300 0.131 0.000 2.323 635 Y HA 0.686 5.237 4.550 0.003 0.000 0.331 635 Y C -0.757 175.208 175.900 0.109 0.000 1.092 635 Y CA -0.845 57.292 58.100 0.062 0.000 1.150 635 Y CB 0.906 39.364 38.460 -0.004 0.000 1.200 635 Y HN 0.757 nan 8.280 nan 0.000 0.472 636 F N 1.884 121.512 119.950 -0.538 0.000 2.643 636 F HA 0.758 5.286 4.527 0.003 0.000 0.314 636 F C -1.651 173.890 175.800 -0.433 0.000 1.096 636 F CA -1.388 56.425 58.000 -0.313 0.000 0.953 636 F CB 1.869 40.795 39.000 -0.124 0.000 1.345 636 F HN 0.430 nan 8.300 nan 0.000 0.468 637 E N 1.948 122.232 120.200 0.141 0.000 2.307 637 E HA 0.524 4.876 4.350 0.003 0.000 0.280 637 E C -1.876 174.948 176.600 0.372 0.000 0.900 637 E CA -0.485 56.017 56.400 0.170 0.000 0.790 637 E CB 2.149 31.929 29.700 0.133 0.000 1.261 637 E HN 0.738 nan 8.360 nan 0.000 0.405 638 I N 3.832 124.636 120.570 0.389 0.000 2.339 638 I HA 0.258 4.430 4.170 0.003 0.000 0.290 638 I C -0.331 176.058 176.117 0.455 0.000 0.994 638 I CA -0.494 61.011 61.300 0.341 0.000 1.191 638 I CB 1.065 39.200 38.000 0.226 0.000 1.343 638 I HN 0.453 nan 8.210 nan 0.000 0.458 639 H N 5.988 125.178 119.070 0.199 0.000 2.690 639 H HA 0.227 4.784 4.556 0.003 0.000 0.280 639 H C -0.409 174.995 175.328 0.127 0.000 1.138 639 H CA -0.532 55.626 56.048 0.183 0.000 1.241 639 H CB 1.201 31.116 29.762 0.255 0.000 1.394 639 H HN 0.580 nan 8.280 nan 0.000 0.489 640 E N 3.754 124.085 120.200 0.218 0.000 2.349 640 E HA 0.068 4.419 4.350 0.003 0.000 0.265 640 E C -0.456 176.215 176.600 0.117 0.000 1.064 640 E CA -0.603 55.894 56.400 0.161 0.000 0.886 640 E CB 0.797 30.651 29.700 0.258 0.000 1.036 640 E HN 0.643 nan 8.360 nan 0.000 0.413 641 E N 3.294 123.546 120.200 0.085 0.000 2.390 641 E HA 0.190 4.542 4.350 0.003 0.000 0.277 641 E C -0.766 175.858 176.600 0.040 0.000 0.939 641 E CA -0.930 55.507 56.400 0.062 0.000 0.769 641 E CB 0.790 30.531 29.700 0.069 0.000 1.251 641 E HN 0.686 nan 8.360 nan 0.000 0.450 642 N N 0.714 119.429 118.700 0.025 0.000 2.735 642 N HA -0.227 4.514 4.740 0.003 0.000 0.248 642 N C -0.266 175.237 175.510 -0.011 0.000 1.083 642 N CA 1.052 54.106 53.050 0.007 0.000 0.703 642 N CB -1.046 37.442 38.487 0.002 0.000 1.005 642 N HN 0.651 nan 8.380 nan 0.000 0.550 643 R N 0.756 121.256 120.500 0.000 0.000 2.316 643 R HA 0.418 4.760 4.340 0.003 0.000 0.314 643 R C 0.121 176.384 176.300 -0.061 0.000 1.069 643 R CA -0.061 56.025 56.100 -0.024 0.000 0.959 643 R CB 0.470 30.781 30.300 0.018 0.000 0.987 643 R HN 0.184 nan 8.270 nan 0.000 0.446 644 A N 4.528 127.248 122.820 -0.166 0.000 2.396 644 A HA 0.149 4.470 4.320 0.003 0.000 0.279 644 A C -0.192 177.355 177.584 -0.062 0.000 1.165 644 A CA -0.281 51.644 52.037 -0.187 0.000 0.824 644 A CB 0.506 19.146 19.000 -0.599 0.000 1.100 644 A HN 0.884 nan 8.150 nan 0.000 0.516 645 E N 1.030 121.286 120.200 0.093 0.000 2.339 645 E HA 0.318 4.669 4.350 0.003 0.000 0.262 645 E C 0.960 177.712 176.600 0.253 0.000 0.934 645 E CA -0.358 56.131 56.400 0.149 0.000 0.802 645 E CB 0.976 30.714 29.700 0.063 0.000 1.275 645 E HN 0.639 nan 8.360 nan 0.000 0.427 646 E N 1.419 121.696 120.200 0.130 0.000 2.106 646 E HA -0.229 4.122 4.350 0.003 0.000 0.192 646 E C -0.389 176.041 176.600 -0.283 0.000 0.984 646 E CA 1.335 57.643 56.400 -0.153 0.000 0.806 646 E CB 0.051 29.699 29.700 -0.088 0.000 0.750 646 E HN 0.622 nan 8.360 nan 0.000 0.458 647 D N -0.784 119.551 120.400 -0.110 0.000 2.897 647 D HA -0.161 4.481 4.640 0.003 0.000 0.250 647 D C 0.413 176.667 176.300 -0.076 0.000 1.086 647 D CA 0.693 54.647 54.000 -0.078 0.000 0.799 647 D CB -1.192 39.562 40.800 -0.076 0.000 1.043 647 D HN 0.336 nan 8.370 nan 0.000 0.427 648 A N 1.302 124.094 122.820 -0.048 0.000 1.972 648 A HA -0.107 4.214 4.320 0.003 0.000 0.219 648 A C 2.323 179.900 177.584 -0.011 0.000 1.169 648 A CA 1.582 53.603 52.037 -0.027 0.000 0.635 648 A CB -0.202 18.795 19.000 -0.005 0.000 0.810 648 A HN 0.547 nan 8.150 nan 0.000 0.446 649 L N -1.599 119.627 121.223 0.005 0.000 1.970 649 L HA -0.192 4.149 4.340 0.003 0.000 0.212 649 L C 2.393 179.275 176.870 0.019 0.000 1.071 649 L CA 2.634 57.483 54.840 0.014 0.000 0.751 649 L CB -0.681 41.394 42.059 0.025 0.000 0.889 649 L HN 0.494 nan 8.230 nan 0.000 0.432 650 Y N 0.895 121.163 120.300 -0.054 0.000 2.114 650 Y HA -0.290 4.262 4.550 0.003 0.000 0.284 650 Y C 2.364 178.232 175.900 -0.053 0.000 1.143 650 Y CA 2.154 60.223 58.100 -0.052 0.000 1.135 650 Y CB -0.537 37.885 38.460 -0.064 0.000 0.980 650 Y HN 0.357 nan 8.280 nan 0.000 0.499 651 N N 0.083 118.730 118.700 -0.088 0.000 2.334 651 N HA -0.176 4.566 4.740 0.003 0.000 0.187 651 N C 1.835 177.280 175.510 -0.108 0.000 1.016 651 N CA 1.482 54.459 53.050 -0.123 0.000 0.879 651 N CB -0.607 37.823 38.487 -0.094 0.000 0.965 651 N HN 0.575 nan 8.380 nan 0.000 0.438 652 S N -0.339 115.296 115.700 -0.108 0.000 2.558 652 S HA 0.043 4.515 4.470 0.003 0.000 0.217 652 S C 0.357 174.892 174.600 -0.108 0.000 0.975 652 S CA -0.138 58.017 58.200 -0.075 0.000 0.912 652 S CB -0.085 63.090 63.200 -0.041 0.000 0.776 652 S HN 0.472 nan 8.310 nan 0.000 0.526 653 K N 0.447 120.732 120.400 -0.193 0.000 2.659 653 K HA 0.333 4.654 4.320 0.003 0.000 0.308 653 K C -3.538 172.846 176.600 -0.360 0.000 1.342 653 K CA -1.145 55.019 56.287 -0.205 0.000 1.052 653 K CB 0.512 32.946 32.500 -0.111 0.000 1.416 653 K HN -0.018 nan 8.250 nan 0.000 0.524 654 P HA 0.086 nan 4.420 nan 0.000 0.275 654 P C 0.025 177.168 177.300 -0.261 0.000 1.228 654 P CA -0.126 62.447 63.100 -0.878 0.000 0.786 654 P CB 1.441 32.792 31.700 -0.582 0.000 0.927 655 T N -3.077 111.492 114.554 0.025 0.000 3.004 655 T HA 0.103 4.454 4.350 0.003 0.000 0.266 655 T C 0.510 175.306 174.700 0.160 0.000 0.986 655 T CA -0.086 62.078 62.100 0.108 0.000 0.902 655 T CB -0.282 68.660 68.868 0.123 0.000 1.118 655 T HN 0.307 nan 8.240 nan 0.000 0.522 656 N N 2.437 121.299 118.700 0.270 0.000 2.621 656 N HA 0.386 5.128 4.740 0.003 0.000 0.237 656 N C -2.346 173.267 175.510 0.171 0.000 0.997 656 N CA -2.542 50.621 53.050 0.189 0.000 0.918 656 N CB 1.801 40.377 38.487 0.148 0.000 1.122 656 N HN -0.101 nan 8.380 nan 0.000 0.510 657 P HA -0.092 nan 4.420 nan 0.000 0.218 657 P C 0.877 178.235 177.300 0.096 0.000 1.146 657 P CA 0.892 64.046 63.100 0.090 0.000 0.813 657 P CB 0.250 31.987 31.700 0.063 0.000 0.778 658 A N -1.131 121.745 122.820 0.094 0.000 2.024 658 A HA -0.086 4.236 4.320 0.003 0.000 0.220 658 A C 1.268 178.917 177.584 0.109 0.000 1.164 658 A CA 1.034 53.124 52.037 0.088 0.000 0.643 658 A CB -0.870 18.174 19.000 0.074 0.000 0.806 658 A HN 0.328 nan 8.150 nan 0.000 0.451 659 I N -0.883 119.770 120.570 0.139 0.000 2.560 659 I HA 0.217 4.388 4.170 0.003 0.000 0.283 659 I C 0.147 176.423 176.117 0.265 0.000 1.115 659 I CA -0.234 61.169 61.300 0.173 0.000 1.066 659 I CB 1.778 39.858 38.000 0.134 0.000 1.221 659 I HN 0.059 nan 8.210 nan 0.000 0.450 660 T N 4.932 119.629 114.554 0.238 0.000 3.069 660 T HA 0.171 4.523 4.350 0.003 0.000 0.252 660 T C -0.313 174.545 174.700 0.263 0.000 1.053 660 T CA 0.281 62.505 62.100 0.207 0.000 0.964 660 T CB -0.183 68.759 68.868 0.125 0.000 1.005 660 T HN 0.512 nan 8.240 nan 0.000 0.532 661 Y N 1.894 122.275 120.300 0.136 0.000 2.477 661 Y HA 0.575 5.127 4.550 0.003 0.000 0.332 661 Y C -0.706 175.186 175.900 -0.014 0.000 1.151 661 Y CA -1.450 56.677 58.100 0.046 0.000 1.349 661 Y CB 0.095 38.549 38.460 -0.010 0.000 1.108 661 Y HN 0.199 nan 8.280 nan 0.000 0.567 662 A N 3.010 125.671 122.820 -0.266 0.000 2.269 662 A HA 0.777 5.099 4.320 0.003 0.000 0.319 662 A C -1.663 175.610 177.584 -0.519 0.000 1.110 662 A CA -0.354 51.540 52.037 -0.238 0.000 0.847 662 A CB 0.672 19.558 19.000 -0.190 0.000 1.161 662 A HN 0.605 nan 8.150 nan 0.000 0.497 663 Y N 0.136 120.414 120.300 -0.037 0.000 2.534 663 Y HA 0.550 5.102 4.550 0.003 0.000 0.329 663 Y C 0.591 176.474 175.900 -0.029 0.000 1.154 663 Y CA -0.608 57.487 58.100 -0.009 0.000 1.192 663 Y CB 1.599 40.128 38.460 0.116 0.000 1.275 663 Y HN 0.677 nan 8.280 nan 0.000 0.491 664 K N -0.024 120.458 120.400 0.136 0.000 2.375 664 K HA 0.788 5.110 4.320 0.003 0.000 0.249 664 K C -0.539 176.099 176.600 0.064 0.000 0.942 664 K CA -1.137 55.190 56.287 0.067 0.000 0.806 664 K CB 2.087 34.601 32.500 0.023 0.000 1.227 664 K HN 0.789 nan 8.250 nan 0.000 0.430 665 G N 3.243 112.065 108.800 0.036 0.000 2.339 665 G HA2 0.516 4.478 3.960 0.003 0.000 0.287 665 G HA3 0.516 4.478 3.960 0.003 0.000 0.287 665 G C -0.274 174.635 174.900 0.015 0.000 1.163 665 G CA -0.799 44.310 45.100 0.016 0.000 0.872 665 G HN 0.729 nan 8.290 nan 0.000 0.464 666 I N -1.439 119.138 120.570 0.013 0.000 3.042 666 I HA 0.706 4.878 4.170 0.003 0.000 0.310 666 I C -0.353 175.775 176.117 0.018 0.000 1.117 666 I CA -1.514 59.794 61.300 0.014 0.000 1.003 666 I CB 2.148 40.154 38.000 0.010 0.000 1.228 666 I HN 0.208 nan 8.210 nan 0.000 0.443 667 K N 2.012 122.421 120.400 0.015 0.000 2.154 667 K HA 0.798 5.119 4.320 0.003 0.000 0.264 667 K C -0.696 175.911 176.600 0.013 0.000 1.008 667 K CA -0.585 55.714 56.287 0.020 0.000 0.937 667 K CB 1.489 33.992 32.500 0.006 0.000 1.002 667 K HN 0.828 nan 8.250 nan 0.000 0.469 668 A N 2.063 124.901 122.820 0.030 0.000 2.574 668 A HA 0.489 4.810 4.320 0.003 0.000 0.297 668 A C -1.514 176.094 177.584 0.041 0.000 1.062 668 A CA -0.728 51.323 52.037 0.023 0.000 0.686 668 A CB 1.480 20.502 19.000 0.036 0.000 1.285 668 A HN 0.628 nan 8.150 nan 0.000 0.403 669 K N 0.803 121.204 120.400 0.002 0.000 2.397 669 K HA 0.641 4.962 4.320 0.003 0.000 0.253 669 K C -1.133 175.503 176.600 0.060 0.000 0.932 669 K CA -0.277 56.013 56.287 0.005 0.000 0.795 669 K CB 1.908 34.336 32.500 -0.121 0.000 1.159 669 K HN 0.693 nan 8.250 nan 0.000 0.424 670 T N 3.434 118.083 114.554 0.158 0.000 2.795 670 T HA 0.335 4.687 4.350 0.003 0.000 0.282 670 T C -0.731 174.023 174.700 0.090 0.000 0.980 670 T CA -0.489 61.693 62.100 0.136 0.000 1.012 670 T CB 1.017 70.049 68.868 0.274 0.000 0.936 670 T HN 0.381 nan 8.240 nan 0.000 0.457 671 K N 1.276 121.662 120.400 -0.023 0.000 2.259 671 K HA 0.803 5.124 4.320 0.003 0.000 0.249 671 K C 0.070 176.465 176.600 -0.342 0.000 0.942 671 K CA -0.512 55.681 56.287 -0.155 0.000 0.816 671 K CB 2.072 34.577 32.500 0.008 0.000 1.155 671 K HN 0.842 nan 8.250 nan 0.000 0.428 672 G N 0.955 109.278 108.800 -0.796 0.000 2.328 672 G HA2 0.365 4.326 3.960 0.003 0.000 0.295 672 G HA3 0.365 4.326 3.960 0.003 0.000 0.295 672 G C -2.240 171.971 174.900 -1.149 0.000 1.413 672 G CA -0.888 43.700 45.100 -0.854 0.000 0.817 672 G HN 0.519 nan 8.290 nan 0.000 0.546 673 Y N -1.621 118.510 120.300 -0.282 0.000 2.588 673 Y HA 0.883 5.435 4.550 0.003 0.000 0.343 673 Y C -0.694 175.415 175.900 0.348 0.000 1.065 673 Y CA -1.329 56.793 58.100 0.038 0.000 1.038 673 Y CB 2.279 40.850 38.460 0.185 0.000 1.297 673 Y HN 0.706 nan 8.280 nan 0.000 0.467 674 E N 1.434 121.978 120.200 0.573 0.000 2.278 674 E HA 0.772 5.124 4.350 0.003 0.000 0.272 674 E C -1.765 175.059 176.600 0.374 0.000 0.890 674 E CA -0.990 55.671 56.400 0.434 0.000 0.770 674 E CB 1.873 31.773 29.700 0.333 0.000 1.212 674 E HN 1.011 nan 8.360 nan 0.000 0.415 675 A N 4.303 127.333 122.820 0.350 0.000 2.342 675 A HA 0.699 5.020 4.320 0.003 0.000 0.323 675 A C -1.014 176.690 177.584 0.201 0.000 1.125 675 A CA -0.597 51.593 52.037 0.254 0.000 0.785 675 A CB 0.968 20.103 19.000 0.225 0.000 1.221 675 A HN 0.673 nan 8.150 nan 0.000 0.463 676 E N 1.380 121.675 120.200 0.159 0.000 2.390 676 E HA 0.711 5.063 4.350 0.003 0.000 0.277 676 E C -1.557 175.105 176.600 0.103 0.000 0.939 676 E CA -0.657 55.814 56.400 0.119 0.000 0.769 676 E CB 2.101 31.857 29.700 0.093 0.000 1.251 676 E HN 0.552 nan 8.360 nan 0.000 0.450 677 I N 1.024 121.641 120.570 0.079 0.000 2.686 677 I HA 0.531 4.703 4.170 0.003 0.000 0.295 677 I C -1.686 174.467 176.117 0.059 0.000 1.114 677 I CA -0.329 61.008 61.300 0.062 0.000 1.038 677 I CB 1.945 39.959 38.000 0.023 0.000 1.238 677 I HN 0.816 nan 8.210 nan 0.000 0.420 678 S N 4.532 120.270 115.700 0.062 0.000 2.543 678 S HA 0.927 5.398 4.470 0.003 0.000 0.273 678 S C -0.375 174.270 174.600 0.076 0.000 1.152 678 S CA -0.159 58.093 58.200 0.087 0.000 0.910 678 S CB 1.251 64.505 63.200 0.091 0.000 1.105 678 S HN 1.634 nan 8.310 nan 0.000 0.465 679 G N 1.498 110.353 108.800 0.091 0.000 2.416 679 G HA2 -0.031 3.931 3.960 0.003 0.000 0.203 679 G HA3 -0.031 3.931 3.960 0.003 0.000 0.203 679 G C -0.892 173.984 174.900 -0.039 0.000 1.227 679 G CA -0.353 44.773 45.100 0.043 0.000 1.041 679 G HN 1.028 nan 8.290 nan 0.000 0.546 680 E N 0.478 120.653 120.200 -0.042 0.000 2.070 680 E HA 0.353 4.705 4.350 0.003 0.000 0.282 680 E C 1.026 177.550 176.600 -0.127 0.000 1.104 680 E CA -0.632 55.727 56.400 -0.067 0.000 0.876 680 E CB 0.450 30.138 29.700 -0.020 0.000 1.055 680 E HN 0.327 nan 8.360 nan 0.000 0.401 681 L N 4.033 125.111 121.223 -0.241 0.000 2.131 681 L HA 0.188 4.529 4.340 0.003 0.000 0.206 681 L C 0.628 177.407 176.870 -0.152 0.000 1.087 681 L CA 1.239 55.853 54.840 -0.376 0.000 0.767 681 L CB -0.494 40.985 42.059 -0.967 0.000 0.917 681 L HN 0.611 nan 8.230 nan 0.000 0.441 682 A N -2.796 120.051 122.820 0.044 0.000 2.536 682 A HA 0.567 4.889 4.320 0.003 0.000 0.293 682 A C -2.151 175.549 177.584 0.193 0.000 1.119 682 A CA -0.543 51.594 52.037 0.167 0.000 0.654 682 A CB -0.143 19.058 19.000 0.334 0.000 1.291 682 A HN -0.099 nan 8.150 nan 0.000 0.439 683 P HA -0.080 nan 4.420 nan 0.000 0.214 683 P C 1.183 178.551 177.300 0.113 0.000 1.163 683 P CA 2.325 65.492 63.100 0.113 0.000 0.889 683 P CB 0.158 31.908 31.700 0.084 0.000 0.790 684 G N -3.188 105.709 108.800 0.162 0.000 3.518 684 G HA2 0.108 4.069 3.960 0.003 0.000 0.273 684 G HA3 0.108 4.069 3.960 0.003 0.000 0.273 684 G C -1.048 173.965 174.900 0.187 0.000 1.199 684 G CA -0.129 44.985 45.100 0.023 0.000 0.899 684 G HN 0.127 nan 8.290 nan 0.000 0.533 685 W N 1.326 122.674 121.300 0.079 0.000 2.647 685 W HA 0.574 5.235 4.660 0.003 0.000 0.328 685 W C -0.984 175.522 176.519 -0.023 0.000 1.018 685 W CA -1.452 55.966 57.345 0.122 0.000 1.245 685 W CB 1.305 30.846 29.460 0.135 0.000 1.356 685 W HN -0.093 nan 8.180 nan 0.000 0.443 686 Q N 4.296 124.159 119.800 0.105 0.000 2.365 686 Q HA 0.675 5.017 4.340 0.003 0.000 0.269 686 Q C -0.761 175.232 176.000 -0.012 0.000 1.061 686 Q CA -0.880 54.810 55.803 -0.188 0.000 0.816 686 Q CB 2.940 31.270 28.738 -0.680 0.000 1.325 686 Q HN 0.358 nan 8.270 nan 0.000 0.446 687 V N -0.092 119.861 119.914 0.065 0.000 2.962 687 V HA 0.662 4.784 4.120 0.003 0.000 0.313 687 V C -0.832 175.461 176.094 0.331 0.000 1.099 687 V CA -1.046 61.378 62.300 0.207 0.000 0.971 687 V CB 2.020 33.836 31.823 -0.012 0.000 1.028 687 V HN 0.791 nan 8.190 nan 0.000 0.430 688 Q N 1.786 121.762 119.800 0.294 0.000 2.294 688 Q HA 0.810 5.151 4.340 0.003 0.000 0.264 688 Q C -1.114 174.951 176.000 0.108 0.000 0.992 688 Q CA -0.207 55.698 55.803 0.169 0.000 0.747 688 Q CB 1.733 30.545 28.738 0.123 0.000 1.262 688 Q HN 1.442 nan 8.270 nan 0.000 0.452 689 A N 2.368 125.226 122.820 0.062 0.000 2.454 689 A HA 1.027 5.349 4.320 0.003 0.000 0.302 689 A C -0.607 177.007 177.584 0.050 0.000 1.079 689 A CA -0.211 51.842 52.037 0.027 0.000 0.731 689 A CB 1.971 20.977 19.000 0.010 0.000 1.299 689 A HN 0.876 nan 8.150 nan 0.000 0.413 690 G N -1.062 107.769 108.800 0.051 0.000 2.684 690 G HA2 0.565 4.527 3.960 0.003 0.000 0.290 690 G HA3 0.565 4.527 3.960 0.003 0.000 0.290 690 G C -2.187 172.801 174.900 0.146 0.000 1.425 690 G CA -0.422 44.736 45.100 0.097 0.000 0.822 690 G HN 1.201 nan 8.290 nan 0.000 0.482 691 Y N 0.503 120.844 120.300 0.068 0.000 2.373 691 Y HA 0.685 5.236 4.550 0.003 0.000 0.336 691 Y C -0.480 175.480 175.900 0.099 0.000 0.979 691 Y CA -0.600 57.551 58.100 0.084 0.000 1.080 691 Y CB 2.256 40.784 38.460 0.113 0.000 1.190 691 Y HN 0.553 nan 8.280 nan 0.000 0.446 692 T N 5.603 119.903 114.554 -0.423 0.000 2.841 692 T HA 0.297 4.648 4.350 0.003 0.000 0.283 692 T C -1.704 172.775 174.700 -0.368 0.000 1.000 692 T CA -0.511 61.468 62.100 -0.202 0.000 0.977 692 T CB 0.857 69.643 68.868 -0.136 0.000 0.979 692 T HN 0.679 nan 8.240 nan 0.000 0.446 693 H N 1.970 120.816 119.070 -0.373 0.000 2.569 693 H HA 0.741 5.298 4.556 0.003 0.000 0.357 693 H C -0.687 174.467 175.328 -0.291 0.000 1.153 693 H CA -0.682 55.100 56.048 -0.442 0.000 1.193 693 H CB 1.101 30.354 29.762 -0.847 0.000 1.602 693 H HN 0.661 nan 8.280 nan 0.000 0.523 694 K N 3.470 123.319 120.400 -0.919 0.000 2.587 694 K HA 0.512 4.834 4.320 0.003 0.000 0.276 694 K C -2.174 174.073 176.600 -0.589 0.000 0.956 694 K CA -0.649 55.265 56.287 -0.622 0.000 0.857 694 K CB 1.047 33.411 32.500 -0.228 0.000 1.431 694 K HN 0.523 nan 8.250 nan 0.000 0.420 695 I N 2.811 123.174 120.570 -0.346 0.000 2.571 695 I HA 0.426 4.598 4.170 0.003 0.000 0.289 695 I C -1.129 174.912 176.117 -0.127 0.000 1.115 695 I CA -0.977 60.205 61.300 -0.198 0.000 1.045 695 I CB 1.996 39.936 38.000 -0.100 0.000 1.238 695 I HN 0.746 nan 8.210 nan 0.000 0.424 696 I N 6.449 126.934 120.570 -0.141 0.000 2.362 696 I HA 0.498 4.670 4.170 0.003 0.000 0.289 696 I C -0.641 175.417 176.117 -0.099 0.000 0.994 696 I CA -0.330 60.898 61.300 -0.120 0.000 1.158 696 I CB 0.571 38.452 38.000 -0.198 0.000 1.315 696 I HN 0.607 nan 8.210 nan 0.000 0.451 697 R N 5.401 125.864 120.500 -0.062 0.000 2.637 697 R HA 0.409 4.751 4.340 0.003 0.000 0.291 697 R C -0.855 175.418 176.300 -0.044 0.000 0.963 697 R CA -1.039 55.035 56.100 -0.044 0.000 0.901 697 R CB 1.298 31.584 30.300 -0.023 0.000 1.160 697 R HN 0.547 nan 8.270 nan 0.000 0.457 698 D N 1.423 121.800 120.400 -0.039 0.000 2.341 698 D HA -0.110 4.532 4.640 0.003 0.000 0.235 698 D C 1.041 177.326 176.300 -0.025 0.000 1.265 698 D CA 0.364 54.346 54.000 -0.029 0.000 0.888 698 D CB 0.524 41.310 40.800 -0.023 0.000 1.192 698 D HN 0.489 nan 8.370 nan 0.000 0.462 699 D N -0.159 120.230 120.400 -0.019 0.000 2.347 699 D HA -0.224 4.418 4.640 0.003 0.000 0.189 699 D C 1.617 177.908 176.300 -0.015 0.000 1.020 699 D CA 2.208 56.199 54.000 -0.016 0.000 0.875 699 D CB -0.241 40.554 40.800 -0.008 0.000 0.928 699 D HN 0.401 nan 8.370 nan 0.000 0.454 700 S N -1.381 114.310 115.700 -0.014 0.000 2.631 700 S HA 0.275 4.746 4.470 0.003 0.000 0.217 700 S C 1.608 176.201 174.600 -0.012 0.000 0.958 700 S CA 0.933 59.125 58.200 -0.012 0.000 0.920 700 S CB 0.558 63.750 63.200 -0.013 0.000 0.776 700 S HN 0.434 nan 8.310 nan 0.000 0.517 701 G N 1.809 110.601 108.800 -0.013 0.000 2.189 701 G HA2 -0.370 3.592 3.960 0.003 0.000 0.267 701 G HA3 -0.370 3.592 3.960 0.003 0.000 0.267 701 G C 0.016 174.914 174.900 -0.003 0.000 0.975 701 G CA 0.517 45.612 45.100 -0.008 0.000 0.644 701 G HN 0.933 nan 8.290 nan 0.000 0.537 702 K N 1.244 121.640 120.400 -0.007 0.000 2.416 702 K HA 0.375 4.697 4.320 0.003 0.000 0.283 702 K C 0.788 177.388 176.600 -0.001 0.000 1.037 702 K CA -0.294 55.993 56.287 -0.000 0.000 0.995 702 K CB 0.418 32.911 32.500 -0.011 0.000 0.938 702 K HN 0.258 nan 8.250 nan 0.000 0.475 703 K N 1.943 122.360 120.400 0.028 0.000 2.286 703 K HA 0.179 4.501 4.320 0.003 0.000 0.256 703 K C -0.682 175.895 176.600 -0.039 0.000 0.999 703 K CA -0.355 55.939 56.287 0.012 0.000 0.908 703 K CB 0.987 33.549 32.500 0.104 0.000 0.981 703 K HN 0.379 nan 8.250 nan 0.000 0.500 704 V N 0.412 120.256 119.914 -0.117 0.000 3.077 704 V HA 0.028 4.150 4.120 0.003 0.000 0.299 704 V C -0.828 175.121 176.094 -0.241 0.000 1.276 704 V CA -0.693 61.516 62.300 -0.153 0.000 0.993 704 V CB 2.112 33.853 31.823 -0.136 0.000 1.076 704 V HN 0.959 nan 8.190 nan 0.000 0.434 705 S N 0.784 116.348 115.700 -0.228 0.000 3.641 705 S HA -0.215 4.257 4.470 0.003 0.000 0.346 705 S C 1.409 175.738 174.600 -0.450 0.000 1.074 705 S CA 1.295 59.319 58.200 -0.293 0.000 1.026 705 S CB -1.455 61.540 63.200 -0.342 0.000 0.908 705 S HN 1.459 nan 8.310 nan 0.000 0.479 706 T N -2.377 111.882 114.554 -0.492 0.000 2.929 706 T HA -0.166 4.186 4.350 0.003 0.000 0.271 706 T C 1.237 175.456 174.700 -0.800 0.000 1.085 706 T CA 1.100 62.634 62.100 -0.944 0.000 1.125 706 T CB -0.458 67.605 68.868 -1.341 0.000 0.874 706 T HN 0.762 nan 8.240 nan 0.000 0.494 707 W N 2.235 123.165 121.300 -0.616 0.000 2.425 707 W HA 0.112 4.774 4.660 0.003 0.000 0.277 707 W C 0.760 176.978 176.519 -0.500 0.000 1.231 707 W CA 0.411 57.501 57.345 -0.424 0.000 1.248 707 W CB 0.119 29.457 29.460 -0.203 0.000 1.117 707 W HN 0.383 nan 8.180 nan 0.000 0.568 708 E N 2.450 122.160 120.200 -0.817 0.000 2.229 708 E HA 0.133 4.484 4.350 0.003 0.000 0.283 708 E C -2.221 173.986 176.600 -0.654 0.000 1.030 708 E CA -2.242 53.614 56.400 -0.906 0.000 0.836 708 E CB 1.179 30.176 29.700 -1.172 0.000 1.068 708 E HN -0.195 nan 8.360 nan 0.000 0.401 709 P HA -0.015 nan 4.420 nan 0.000 0.272 709 P C -0.032 177.034 177.300 -0.390 0.000 1.223 709 P CA 0.166 62.990 63.100 -0.459 0.000 0.784 709 P CB 0.732 32.134 31.700 -0.497 0.000 0.923 710 Q N 0.359 119.986 119.800 -0.289 0.000 2.172 710 Q HA -0.057 4.285 4.340 0.003 0.000 0.200 710 Q C -0.352 175.519 176.000 -0.215 0.000 0.964 710 Q CA 1.362 57.017 55.803 -0.248 0.000 0.855 710 Q CB -0.019 28.671 28.738 -0.080 0.000 0.918 710 Q HN 0.614 nan 8.270 nan 0.000 0.444 711 D N 0.158 120.433 120.400 -0.208 0.000 2.780 711 D HA 0.237 4.879 4.640 0.003 0.000 0.242 711 D C -0.926 175.108 176.300 -0.443 0.000 1.135 711 D CA -0.459 53.418 54.000 -0.205 0.000 0.859 711 D CB 1.401 42.287 40.800 0.144 0.000 1.530 711 D HN 0.015 nan 8.370 nan 0.000 0.493 712 Q N 1.005 120.488 119.800 -0.528 0.000 2.482 712 Q HA 0.756 5.097 4.340 0.003 0.000 0.286 712 Q C -1.989 173.756 176.000 -0.425 0.000 1.007 712 Q CA -1.260 54.258 55.803 -0.475 0.000 0.801 712 Q CB 2.212 30.687 28.738 -0.437 0.000 1.455 712 Q HN 0.413 nan 8.270 nan 0.000 0.398 713 L N 0.335 121.447 121.223 -0.185 0.000 2.482 713 L HA 0.781 5.123 4.340 0.003 0.000 0.263 713 L C -1.872 174.953 176.870 -0.075 0.000 0.957 713 L CA 0.112 54.938 54.840 -0.025 0.000 0.836 713 L CB 2.789 44.959 42.059 0.184 0.000 1.324 713 L HN 0.804 nan 8.230 nan 0.000 0.406 714 S N 5.053 120.709 115.700 -0.075 0.000 2.546 714 S HA 0.816 5.288 4.470 0.003 0.000 0.272 714 S C -1.513 172.941 174.600 -0.243 0.000 1.140 714 S CA -0.504 57.572 58.200 -0.205 0.000 0.920 714 S CB 1.823 64.939 63.200 -0.139 0.000 1.083 714 S HN 0.813 nan 8.310 nan 0.000 0.476 715 L N 3.257 124.173 121.223 -0.513 0.000 2.528 715 L HA 0.650 4.991 4.340 0.003 0.000 0.267 715 L C -2.318 174.138 176.870 -0.691 0.000 0.961 715 L CA -0.439 54.182 54.840 -0.365 0.000 0.866 715 L CB 1.004 42.984 42.059 -0.131 0.000 1.248 715 L HN 0.711 nan 8.230 nan 0.000 0.404 716 Y N 2.890 123.177 120.300 -0.022 0.000 2.361 716 Y HA 0.716 5.267 4.550 0.003 0.000 0.337 716 Y C 0.116 176.173 175.900 0.261 0.000 0.965 716 Y CA -0.664 57.419 58.100 -0.027 0.000 1.091 716 Y CB 2.514 40.775 38.460 -0.332 0.000 1.182 716 Y HN 0.500 nan 8.280 nan 0.000 0.450 717 T N 2.228 117.126 114.554 0.573 0.000 2.916 717 T HA 0.731 5.082 4.350 0.003 0.000 0.305 717 T C -1.178 173.900 174.700 0.630 0.000 1.119 717 T CA -0.608 61.840 62.100 0.580 0.000 1.008 717 T CB 0.966 70.114 68.868 0.466 0.000 1.129 717 T HN 0.700 nan 8.240 nan 0.000 0.480 718 S N 2.693 118.704 115.700 0.518 0.000 2.588 718 S HA 0.784 5.256 4.470 0.003 0.000 0.275 718 S C -1.946 172.835 174.600 0.303 0.000 1.130 718 S CA -0.744 57.651 58.200 0.324 0.000 0.855 718 S CB 1.948 65.276 63.200 0.213 0.000 1.116 718 S HN 0.741 nan 8.310 nan 0.000 0.472 719 Y N 1.129 121.404 120.300 -0.042 0.000 2.332 719 Y HA 0.481 5.033 4.550 0.003 0.000 0.325 719 Y C -0.824 174.910 175.900 -0.276 0.000 1.054 719 Y CA -0.775 57.191 58.100 -0.223 0.000 1.119 719 Y CB 1.517 39.656 38.460 -0.534 0.000 1.168 719 Y HN 0.790 nan 8.280 nan 0.000 0.439 720 K N 6.395 126.309 120.400 -0.811 0.000 2.312 720 K HA 0.222 4.543 4.320 0.003 0.000 0.287 720 K C -0.726 175.242 176.600 -1.053 0.000 1.062 720 K CA -0.083 55.806 56.287 -0.664 0.000 0.934 720 K CB 0.322 32.596 32.500 -0.377 0.000 1.027 720 K HN 0.582 nan 8.250 nan 0.000 0.478 721 F N 2.027 121.654 119.950 -0.539 0.000 2.435 721 F HA 0.150 4.679 4.527 0.003 0.000 0.316 721 F C 1.392 177.063 175.800 -0.215 0.000 1.220 721 F CA 0.263 58.066 58.000 -0.328 0.000 1.241 721 F CB 0.500 39.444 39.000 -0.092 0.000 1.234 721 F HN 0.198 nan 8.300 nan 0.000 0.569 722 K N -0.068 120.399 120.400 0.111 0.000 2.352 722 K HA 0.549 4.871 4.320 0.003 0.000 0.240 722 K C 0.526 177.164 176.600 0.063 0.000 1.017 722 K CA -0.212 56.102 56.287 0.046 0.000 0.851 722 K CB 1.737 34.261 32.500 0.039 0.000 1.261 722 K HN 0.759 nan 8.250 nan 0.000 0.451 723 G N 0.961 109.780 108.800 0.032 0.000 2.652 723 G HA2 -0.438 3.523 3.960 0.003 0.000 0.318 723 G HA3 -0.438 3.523 3.960 0.003 0.000 0.318 723 G C 0.943 175.854 174.900 0.017 0.000 1.295 723 G CA 0.914 46.028 45.100 0.024 0.000 0.999 723 G HN 0.711 nan 8.290 nan 0.000 0.548 724 A N -0.891 121.937 122.820 0.013 0.000 2.032 724 A HA 0.197 4.519 4.320 0.003 0.000 0.221 724 A C 2.142 179.724 177.584 -0.003 0.000 1.165 724 A CA 2.172 54.211 52.037 0.002 0.000 0.645 724 A CB -0.279 18.717 19.000 -0.006 0.000 0.807 724 A HN 1.017 nan 8.150 nan 0.000 0.453 725 L N -0.024 121.191 121.223 -0.013 0.000 3.141 725 L HA 0.148 4.490 4.340 0.003 0.000 0.267 725 L C 0.543 177.425 176.870 0.020 0.000 1.281 725 L CA 0.194 55.007 54.840 -0.045 0.000 1.037 725 L CB 0.360 42.250 42.059 -0.281 0.000 1.407 725 L HN 0.440 nan 8.230 nan 0.000 0.566 726 D N -1.195 119.212 120.400 0.011 0.000 2.363 726 D HA -0.153 4.488 4.640 0.003 0.000 0.226 726 D C 1.464 177.717 176.300 -0.080 0.000 1.020 726 D CA 0.718 54.713 54.000 -0.008 0.000 0.892 726 D CB 0.241 41.027 40.800 -0.023 0.000 0.900 726 D HN 0.116 nan 8.370 nan 0.000 0.531 727 K N -0.845 119.459 120.400 -0.159 0.000 2.367 727 K HA 0.233 4.554 4.320 0.003 0.000 0.194 727 K C -0.107 176.247 176.600 -0.411 0.000 1.027 727 K CA -0.387 55.666 56.287 -0.391 0.000 1.075 727 K CB 0.468 32.567 32.500 -0.668 0.000 0.845 727 K HN 0.121 nan 8.250 nan 0.000 0.529 728 L N 0.861 122.046 121.223 -0.062 0.000 2.312 728 L HA 0.294 4.635 4.340 0.003 0.000 0.281 728 L C -0.896 176.104 176.870 0.218 0.000 1.070 728 L CA 0.457 55.406 54.840 0.183 0.000 0.805 728 L CB 1.580 43.780 42.059 0.236 0.000 1.174 728 L HN -0.145 nan 8.230 nan 0.000 0.434 729 T N 4.594 119.242 114.554 0.155 0.000 2.809 729 T HA 0.590 4.942 4.350 0.003 0.000 0.284 729 T C -0.738 174.035 174.700 0.122 0.000 0.992 729 T CA -0.354 61.794 62.100 0.080 0.000 0.957 729 T CB 1.418 70.275 68.868 -0.019 0.000 0.942 729 T HN 0.390 nan 8.240 nan 0.000 0.439 730 V N 2.360 122.352 119.914 0.130 0.000 2.667 730 V HA 0.994 5.116 4.120 0.003 0.000 0.308 730 V C 0.447 176.605 176.094 0.107 0.000 1.048 730 V CA -0.211 62.181 62.300 0.154 0.000 0.928 730 V CB 2.047 34.045 31.823 0.292 0.000 1.004 730 V HN 1.100 nan 8.190 nan 0.000 0.444 731 G N 1.240 110.114 108.800 0.124 0.000 2.576 731 G HA2 0.776 4.738 3.960 0.003 0.000 0.290 731 G HA3 0.776 4.738 3.960 0.003 0.000 0.290 731 G C -0.707 174.360 174.900 0.279 0.000 1.442 731 G CA 0.123 45.341 45.100 0.197 0.000 0.792 731 G HN 1.255 nan 8.290 nan 0.000 0.491 732 G N -2.042 107.028 108.800 0.450 0.000 2.428 732 G HA2 0.914 4.875 3.960 0.003 0.000 0.304 732 G HA3 0.914 4.875 3.960 0.003 0.000 0.304 732 G C -0.531 174.629 174.900 0.434 0.000 1.303 732 G CA 0.374 45.735 45.100 0.435 0.000 0.825 732 G HN 2.066 nan 8.290 nan 0.000 0.484 733 G N -1.837 107.126 108.800 0.270 0.000 2.579 733 G HA2 0.865 4.827 3.960 0.003 0.000 0.292 733 G HA3 0.865 4.827 3.960 0.003 0.000 0.292 733 G C -1.181 173.700 174.900 -0.030 0.000 1.484 733 G CA 0.509 45.637 45.100 0.047 0.000 0.813 733 G HN 1.996 nan 8.290 nan 0.000 0.515 734 A N 0.466 123.147 122.820 -0.233 0.000 2.475 734 A HA 0.929 5.250 4.320 0.003 0.000 0.301 734 A C -0.497 177.004 177.584 -0.139 0.000 1.059 734 A CA -0.699 51.338 52.037 0.001 0.000 0.710 734 A CB 2.069 21.189 19.000 0.200 0.000 1.288 734 A HN 0.914 nan 8.150 nan 0.000 0.408 735 R N 0.996 121.494 120.500 -0.004 0.000 2.599 735 R HA 0.550 4.892 4.340 0.003 0.000 0.295 735 R C -1.899 174.321 176.300 -0.133 0.000 0.963 735 R CA -0.428 55.605 56.100 -0.111 0.000 0.883 735 R CB 1.458 31.666 30.300 -0.154 0.000 1.171 735 R HN 0.816 nan 8.270 nan 0.000 0.450 736 W N 4.793 125.772 121.300 -0.535 0.000 2.761 736 W HA 0.334 4.996 4.660 0.003 0.000 0.340 736 W C -1.430 174.654 176.519 -0.725 0.000 1.072 736 W CA -0.391 56.402 57.345 -0.921 0.000 1.215 736 W CB 1.476 29.987 29.460 -1.581 0.000 1.420 736 W HN 0.619 nan 8.180 nan 0.000 0.519 737 Q N 3.970 122.689 119.800 -1.801 0.000 2.456 737 Q HA 0.720 5.062 4.340 0.003 0.000 0.284 737 Q C -0.161 174.607 176.000 -2.054 0.000 1.061 737 Q CA -1.064 53.681 55.803 -1.764 0.000 0.799 737 Q CB 1.829 29.944 28.738 -1.038 0.000 1.445 737 Q HN 0.665 nan 8.270 nan 0.000 0.411 738 G N 1.162 109.077 108.800 -1.476 0.000 2.570 738 G HA2 0.190 4.151 3.960 0.003 0.000 0.276 738 G HA3 0.190 4.151 3.960 0.003 0.000 0.276 738 G C -0.623 174.070 174.900 -0.346 0.000 1.346 738 G CA -0.820 43.830 45.100 -0.750 0.000 1.034 738 G HN 0.595 nan 8.290 nan 0.000 0.512 739 K N -0.198 120.155 120.400 -0.078 0.000 2.543 739 K HA 0.163 4.485 4.320 0.003 0.000 0.279 739 K C 0.289 176.936 176.600 0.079 0.000 1.001 739 K CA 0.745 57.081 56.287 0.083 0.000 1.088 739 K CB 0.160 32.780 32.500 0.200 0.000 0.863 739 K HN 0.598 nan 8.250 nan 0.000 0.488 740 S N 2.517 118.259 115.700 0.070 0.000 2.595 740 S HA 0.793 5.264 4.470 0.003 0.000 0.281 740 S C -1.530 173.289 174.600 0.364 0.000 1.117 740 S CA -1.131 57.055 58.200 -0.024 0.000 0.873 740 S CB 1.221 64.113 63.200 -0.514 0.000 1.108 740 S HN 0.749 nan 8.310 nan 0.000 0.477 741 W N 0.004 121.469 121.300 0.275 0.000 3.275 741 W HA 0.765 5.427 4.660 0.003 0.000 0.306 741 W C -2.038 174.675 176.519 0.324 0.000 1.259 741 W CA -0.599 56.955 57.345 0.347 0.000 1.194 741 W CB 0.799 30.365 29.460 0.177 0.000 1.375 741 W HN 0.676 nan 8.180 nan 0.000 0.564 742 Q N 2.164 122.237 119.800 0.456 0.000 2.389 742 Q HA 0.520 4.862 4.340 0.003 0.000 0.277 742 Q C -1.525 174.700 176.000 0.375 0.000 1.082 742 Q CA -1.196 54.756 55.803 0.249 0.000 0.810 742 Q CB 2.745 31.480 28.738 -0.004 0.000 1.374 742 Q HN 0.762 nan 8.270 nan 0.000 0.422 743 M N 2.229 122.023 119.600 0.324 0.000 2.101 743 M HA 0.413 4.895 4.480 0.003 0.000 0.340 743 M C -0.942 175.670 176.300 0.520 0.000 1.057 743 M CA -0.717 54.810 55.300 0.379 0.000 0.984 743 M CB 1.118 33.840 32.600 0.203 0.000 1.560 743 M HN 0.375 nan 8.290 nan 0.000 0.435 744 V N 3.827 124.112 119.914 0.618 0.000 2.823 744 V HA 0.616 4.738 4.120 0.003 0.000 0.312 744 V C -1.894 174.413 176.094 0.354 0.000 1.072 744 V CA -0.786 61.819 62.300 0.508 0.000 0.937 744 V CB 1.939 33.962 31.823 0.334 0.000 1.013 744 V HN 0.737 nan 8.190 nan 0.000 0.430 745 Y N 4.534 124.684 120.300 -0.250 0.000 2.367 745 Y HA 0.482 5.034 4.550 0.003 0.000 0.342 745 Y C 0.418 176.099 175.900 -0.365 0.000 0.979 745 Y CA -0.378 57.275 58.100 -0.746 0.000 1.161 745 Y CB 0.997 38.680 38.460 -1.295 0.000 1.155 745 Y HN 0.922 nan 8.280 nan 0.000 0.503 746 N N 5.892 124.068 118.700 -0.874 0.000 2.415 746 N HA -0.023 4.718 4.740 0.003 0.000 0.246 746 N C 0.383 175.235 175.510 -1.098 0.000 1.078 746 N CA 0.361 52.743 53.050 -1.113 0.000 0.942 746 N CB 0.316 38.045 38.487 -1.263 0.000 1.140 746 N HN 0.904 nan 8.380 nan 0.000 0.501 747 N N 4.451 122.755 118.700 -0.660 0.000 2.080 747 N HA -0.023 4.718 4.740 0.003 0.000 0.189 747 N C -1.157 174.132 175.510 -0.369 0.000 1.036 747 N CA 1.009 53.830 53.050 -0.381 0.000 0.846 747 N CB -0.518 37.877 38.487 -0.153 0.000 1.015 747 N HN 0.486 nan 8.380 nan 0.000 0.423 748 P HA -0.086 nan 4.420 nan 0.000 0.217 748 P C 0.808 177.926 177.300 -0.304 0.000 1.148 748 P CA 1.414 64.332 63.100 -0.303 0.000 0.828 748 P CB -0.016 31.504 31.700 -0.300 0.000 0.783 749 R N -1.728 118.525 120.500 -0.412 0.000 2.362 749 R HA 0.249 4.591 4.340 0.003 0.000 0.227 749 R C 0.145 176.222 176.300 -0.372 0.000 0.905 749 R CA 0.060 55.946 56.100 -0.358 0.000 1.067 749 R CB -0.070 30.008 30.300 -0.370 0.000 1.078 749 R HN -0.043 nan 8.270 nan 0.000 0.516 750 S N 1.466 116.878 115.700 -0.480 0.000 3.697 750 S HA -0.177 4.294 4.470 0.003 0.000 0.388 750 S C -0.464 173.885 174.600 -0.419 0.000 0.941 750 S CA 1.190 59.157 58.200 -0.388 0.000 1.247 750 S CB -1.012 62.107 63.200 -0.134 0.000 0.904 750 S HN 0.667 nan 8.310 nan 0.000 0.518 751 R N -1.137 118.847 120.500 -0.860 0.000 2.664 751 R HA 0.392 4.734 4.340 0.003 0.000 0.260 751 R C -1.527 174.452 176.300 -0.536 0.000 1.062 751 R CA -1.050 54.783 56.100 -0.444 0.000 0.902 751 R CB 0.294 30.434 30.300 -0.266 0.000 1.258 751 R HN 0.167 nan 8.270 nan 0.000 0.465 752 W N 1.898 123.170 121.300 -0.045 0.000 2.251 752 W HA 0.358 5.020 4.660 0.003 0.000 0.329 752 W C 0.153 176.660 176.519 -0.021 0.000 1.234 752 W CA 0.047 57.413 57.345 0.035 0.000 1.228 752 W CB 0.967 30.496 29.460 0.115 0.000 1.135 752 W HN 0.422 nan 8.180 nan 0.000 0.576 753 E N 1.474 121.838 120.200 0.273 0.000 2.288 753 E HA 0.275 4.627 4.350 0.003 0.000 0.268 753 E C -1.175 175.526 176.600 0.169 0.000 0.885 753 E CA -1.462 55.006 56.400 0.113 0.000 0.767 753 E CB 2.237 31.904 29.700 -0.054 0.000 1.220 753 E HN 0.200 nan 8.360 nan 0.000 0.427 754 K N 1.891 122.313 120.400 0.036 0.000 2.276 754 K HA 0.282 4.604 4.320 0.003 0.000 0.283 754 K C -1.419 175.150 176.600 -0.051 0.000 1.044 754 K CA -0.059 56.274 56.287 0.076 0.000 0.944 754 K CB 0.425 32.929 32.500 0.008 0.000 1.012 754 K HN 0.310 nan 8.250 nan 0.000 0.472 755 F N 2.092 122.131 119.950 0.149 0.000 2.467 755 F HA 0.311 4.840 4.527 0.003 0.000 0.336 755 F C -0.239 175.682 175.800 0.202 0.000 1.123 755 F CA -0.407 57.652 58.000 0.099 0.000 0.964 755 F CB 2.158 41.150 39.000 -0.014 0.000 1.136 755 F HN 0.403 nan 8.300 nan 0.000 0.447 756 S N 2.416 118.309 115.700 0.320 0.000 2.472 756 S HA 0.447 4.918 4.470 0.003 0.000 0.303 756 S C -0.916 173.893 174.600 0.349 0.000 1.099 756 S CA -0.753 57.654 58.200 0.344 0.000 1.077 756 S CB 1.722 65.044 63.200 0.203 0.000 1.031 756 S HN 0.528 nan 8.310 nan 0.000 0.487 757 Q N 2.211 122.244 119.800 0.390 0.000 2.325 757 Q HA 0.333 4.674 4.340 0.003 0.000 0.262 757 Q C -0.858 175.255 176.000 0.189 0.000 0.968 757 Q CA -0.258 55.724 55.803 0.297 0.000 0.877 757 Q CB 0.597 29.502 28.738 0.278 0.000 1.253 757 Q HN 0.596 nan 8.270 nan 0.000 0.448 758 E N 2.050 122.355 120.200 0.175 0.000 2.390 758 E HA 0.099 4.451 4.350 0.003 0.000 0.261 758 E C -0.735 175.960 176.600 0.159 0.000 1.076 758 E CA -0.088 56.403 56.400 0.152 0.000 0.905 758 E CB 0.425 30.219 29.700 0.157 0.000 0.984 758 E HN 0.765 nan 8.360 nan 0.000 0.427 759 D N 1.542 121.992 120.400 0.082 0.000 2.648 759 D HA -0.121 4.521 4.640 0.003 0.000 0.229 759 D C -0.943 175.424 176.300 0.111 0.000 1.119 759 D CA 0.463 54.428 54.000 -0.058 0.000 0.850 759 D CB 0.086 40.937 40.800 0.086 0.000 1.169 759 D HN 0.357 nan 8.370 nan 0.000 0.489 760 Y N -0.291 119.825 120.300 -0.306 0.000 2.571 760 Y HA 0.595 5.147 4.550 0.003 0.000 0.341 760 Y C -1.625 174.166 175.900 -0.183 0.000 1.076 760 Y CA -2.134 55.894 58.100 -0.119 0.000 1.029 760 Y CB 0.595 38.988 38.460 -0.113 0.000 1.308 760 Y HN 0.385 nan 8.280 nan 0.000 0.461 761 W N 3.079 124.443 121.300 0.107 0.000 2.438 761 W HA 0.732 5.394 4.660 0.003 0.000 0.324 761 W C -1.033 175.512 176.519 0.043 0.000 1.119 761 W CA -0.711 56.667 57.345 0.055 0.000 1.221 761 W CB 1.655 31.182 29.460 0.112 0.000 1.253 761 W HN 0.420 nan 8.180 nan 0.000 0.555 762 L N 4.154 125.518 121.223 0.235 0.000 2.343 762 L HA 0.498 4.840 4.340 0.003 0.000 0.278 762 L C -0.646 176.378 176.870 0.258 0.000 0.996 762 L CA -0.970 54.001 54.840 0.219 0.000 0.831 762 L CB 1.075 43.184 42.059 0.084 0.000 1.232 762 L HN 0.087 nan 8.230 nan 0.000 0.413 763 V N 2.403 122.494 119.914 0.295 0.000 2.547 763 V HA 0.446 4.567 4.120 0.003 0.000 0.299 763 V C -0.701 175.506 176.094 0.187 0.000 1.040 763 V CA -0.539 61.907 62.300 0.244 0.000 0.913 763 V CB 2.182 34.189 31.823 0.307 0.000 0.992 763 V HN 0.794 nan 8.190 nan 0.000 0.449 764 D N 3.537 124.055 120.400 0.197 0.000 2.547 764 D HA 0.780 5.421 4.640 0.003 0.000 0.231 764 D C -0.882 175.547 176.300 0.214 0.000 1.099 764 D CA -0.616 53.500 54.000 0.194 0.000 0.901 764 D CB 1.910 42.860 40.800 0.249 0.000 1.478 764 D HN 0.309 nan 8.370 nan 0.000 0.471 765 L N -0.053 121.268 121.223 0.162 0.000 2.327 765 L HA 0.728 5.069 4.340 0.003 0.000 0.258 765 L C -0.822 176.119 176.870 0.118 0.000 1.024 765 L CA -1.053 53.876 54.840 0.147 0.000 0.825 765 L CB 2.164 44.259 42.059 0.060 0.000 1.386 765 L HN 0.394 nan 8.230 nan 0.000 0.417 766 M N 1.794 121.448 119.600 0.090 0.000 2.465 766 M HA 0.818 5.300 4.480 0.003 0.000 0.284 766 M C -2.266 174.033 176.300 -0.000 0.000 1.212 766 M CA -0.316 54.990 55.300 0.010 0.000 0.910 766 M CB 2.362 34.939 32.600 -0.040 0.000 1.725 766 M HN 0.745 nan 8.290 nan 0.000 0.477 767 A N 3.704 126.505 122.820 -0.032 0.000 2.577 767 A HA 0.815 5.137 4.320 0.003 0.000 0.297 767 A C -1.724 175.865 177.584 0.008 0.000 1.060 767 A CA -0.735 51.312 52.037 0.016 0.000 0.697 767 A CB 1.787 20.810 19.000 0.038 0.000 1.281 767 A HN 0.902 nan 8.150 nan 0.000 0.402 768 R N 0.985 121.515 120.500 0.050 0.000 2.574 768 R HA 0.618 4.959 4.340 0.003 0.000 0.288 768 R C -2.341 174.032 176.300 0.123 0.000 1.004 768 R CA -0.474 55.657 56.100 0.050 0.000 0.895 768 R CB 1.561 31.854 30.300 -0.011 0.000 1.191 768 R HN 0.851 nan 8.270 nan 0.000 0.444 769 Y N 2.559 122.856 120.300 -0.005 0.000 2.338 769 Y HA 0.228 4.780 4.550 0.002 0.000 0.333 769 Y C -0.705 175.194 175.900 -0.002 0.000 0.968 769 Y CA -0.680 57.419 58.100 -0.003 0.000 1.123 769 Y CB 1.992 40.449 38.460 -0.005 0.000 1.165 769 Y HN 0.542 nan 8.280 nan 0.000 0.452 770 Q N 6.117 125.667 119.800 -0.415 0.000 2.837 770 Q HA 0.269 4.611 4.340 0.003 0.000 0.235 770 Q C 0.278 176.127 176.000 -0.252 0.000 1.348 770 Q CA 0.435 56.083 55.803 -0.258 0.000 0.990 770 Q CB -0.391 28.191 28.738 -0.260 0.000 1.570 770 Q HN 0.924 nan 8.270 nan 0.000 0.575 771 I N -0.431 120.130 120.570 -0.015 0.000 2.335 771 I HA -0.159 4.013 4.170 0.003 0.000 0.251 771 I C 0.830 176.966 176.117 0.031 0.000 1.129 771 I CA 0.788 62.153 61.300 0.109 0.000 1.402 771 I CB -0.071 38.013 38.000 0.139 0.000 1.069 771 I HN 0.323 nan 8.210 nan 0.000 0.424 772 T N -1.058 113.494 114.554 -0.003 0.000 2.841 772 T HA 0.182 4.534 4.350 0.003 0.000 0.296 772 T C -0.114 174.582 174.700 -0.006 0.000 1.166 772 T CA -0.601 61.499 62.100 -0.000 0.000 1.007 772 T CB 1.973 70.843 68.868 0.003 0.000 1.253 772 T HN -0.061 nan 8.240 nan 0.000 0.511 773 D N 0.614 121.018 120.400 0.006 0.000 2.178 773 D HA -0.050 4.591 4.640 0.003 0.000 0.201 773 D C 1.498 177.826 176.300 0.046 0.000 0.980 773 D CA 0.960 54.968 54.000 0.014 0.000 0.842 773 D CB 0.246 41.056 40.800 0.017 0.000 0.948 773 D HN 0.180 nan 8.370 nan 0.000 0.472 774 K N -0.587 119.864 120.400 0.086 0.000 2.373 774 K HA 0.271 4.593 4.320 0.003 0.000 0.200 774 K C -0.098 176.614 176.600 0.187 0.000 1.054 774 K CA -0.265 56.125 56.287 0.171 0.000 1.065 774 K CB 1.024 33.708 32.500 0.306 0.000 0.886 774 K HN 0.122 nan 8.250 nan 0.000 0.546 775 L N 1.684 122.960 121.223 0.088 0.000 2.356 775 L HA 0.346 4.688 4.340 0.003 0.000 0.277 775 L C -0.800 176.098 176.870 0.046 0.000 0.996 775 L CA -0.177 54.705 54.840 0.070 0.000 0.822 775 L CB 1.923 43.982 42.059 -0.001 0.000 1.256 775 L HN 0.151 nan 8.230 nan 0.000 0.413 776 S N 3.408 119.141 115.700 0.056 0.000 2.536 776 S HA 0.976 5.448 4.470 0.003 0.000 0.287 776 S C -0.768 173.871 174.600 0.066 0.000 1.101 776 S CA -0.477 57.748 58.200 0.042 0.000 0.950 776 S CB 1.899 65.101 63.200 0.005 0.000 1.056 776 S HN 0.889 nan 8.310 nan 0.000 0.481 777 A N 1.824 124.698 122.820 0.089 0.000 2.350 777 A HA 0.891 5.213 4.320 0.003 0.000 0.324 777 A C -0.153 177.480 177.584 0.082 0.000 1.118 777 A CA -0.708 51.388 52.037 0.097 0.000 0.783 777 A CB 1.485 20.555 19.000 0.116 0.000 1.236 777 A HN 0.850 nan 8.150 nan 0.000 0.457 778 S N -0.533 115.200 115.700 0.056 0.000 2.632 778 S HA 0.770 5.242 4.470 0.003 0.000 0.289 778 S C -1.141 173.420 174.600 -0.065 0.000 1.115 778 S CA -0.567 57.632 58.200 -0.002 0.000 0.889 778 S CB 1.867 65.049 63.200 -0.030 0.000 1.116 778 S HN 1.422 nan 8.310 nan 0.000 0.486 779 V N 1.803 121.621 119.914 -0.159 0.000 2.888 779 V HA 0.633 4.754 4.120 0.003 0.000 0.309 779 V C -1.940 173.996 176.094 -0.264 0.000 1.114 779 V CA -0.659 61.414 62.300 -0.379 0.000 0.940 779 V CB 2.196 33.647 31.823 -0.619 0.000 1.021 779 V HN 0.930 nan 8.190 nan 0.000 0.426 780 N N 3.516 122.049 118.700 -0.278 0.000 2.354 780 N HA 0.689 5.431 4.740 0.003 0.000 0.287 780 N C -1.171 174.256 175.510 -0.138 0.000 1.016 780 N CA -0.355 52.616 53.050 -0.130 0.000 0.871 780 N CB 2.235 40.700 38.487 -0.037 0.000 1.299 780 N HN 0.525 nan 8.380 nan 0.000 0.482 781 V N 2.056 121.929 119.914 -0.068 0.000 2.435 781 V HA 0.531 4.653 4.120 0.003 0.000 0.290 781 V C -0.391 175.724 176.094 0.036 0.000 1.030 781 V CA -0.807 61.464 62.300 -0.048 0.000 0.881 781 V CB 1.320 33.101 31.823 -0.070 0.000 0.983 781 V HN 0.606 nan 8.190 nan 0.000 0.445 782 N N 3.512 122.243 118.700 0.051 0.000 2.284 782 N HA 0.365 5.107 4.740 0.003 0.000 0.300 782 N C -0.101 175.482 175.510 0.123 0.000 1.047 782 N CA -0.528 52.594 53.050 0.120 0.000 0.821 782 N CB 1.314 39.891 38.487 0.150 0.000 1.337 782 N HN 0.758 nan 8.380 nan 0.000 0.482 783 N N 0.964 119.760 118.700 0.160 0.000 2.726 783 N HA -0.151 4.590 4.740 0.003 0.000 0.253 783 N C 0.286 175.859 175.510 0.104 0.000 1.059 783 N CA 0.271 53.432 53.050 0.186 0.000 0.701 783 N CB -1.097 37.532 38.487 0.236 0.000 0.899 783 N HN 0.352 nan 8.380 nan 0.000 0.548 784 V N -0.226 119.695 119.914 0.012 0.000 2.453 784 V HA -0.211 3.911 4.120 0.003 0.000 0.252 784 V C 1.641 177.562 176.094 -0.289 0.000 1.068 784 V CA 2.079 64.248 62.300 -0.219 0.000 1.070 784 V CB -0.605 30.942 31.823 -0.459 0.000 0.664 784 V HN 0.463 nan 8.190 nan 0.000 0.461 785 F N -0.210 119.799 119.950 0.098 0.000 2.713 785 F HA 0.314 4.843 4.527 0.003 0.000 0.294 785 F C 1.056 176.917 175.800 0.101 0.000 1.152 785 F CA -0.397 57.657 58.000 0.090 0.000 1.385 785 F CB -0.628 38.425 39.000 0.089 0.000 0.981 785 F HN 0.085 nan 8.300 nan 0.000 0.514 786 D N 1.357 121.874 120.400 0.195 0.000 2.782 786 D HA -0.284 4.358 4.640 0.003 0.000 0.230 786 D C 0.499 176.905 176.300 0.178 0.000 1.165 786 D CA 0.601 54.694 54.000 0.156 0.000 0.664 786 D CB -0.628 40.237 40.800 0.107 0.000 1.056 786 D HN 0.148 nan 8.370 nan 0.000 0.423 787 K N 0.480 121.035 120.400 0.259 0.000 2.504 787 K HA 0.019 4.340 4.320 0.003 0.000 0.278 787 K C -0.019 176.731 176.600 0.251 0.000 1.025 787 K CA 0.580 57.033 56.287 0.277 0.000 1.093 787 K CB 0.333 33.038 32.500 0.342 0.000 0.873 787 K HN 0.193 nan 8.250 nan 0.000 0.483 788 T N 4.110 118.744 114.554 0.134 0.000 2.799 788 T HA 0.565 4.917 4.350 0.003 0.000 0.286 788 T C -0.841 173.873 174.700 0.022 0.000 0.973 788 T CA -0.432 61.659 62.100 -0.014 0.000 1.035 788 T CB 0.179 68.978 68.868 -0.114 0.000 0.932 788 T HN 0.545 nan 8.240 nan 0.000 0.469 789 Y N 1.277 121.446 120.300 -0.219 0.000 2.656 789 Y HA 0.661 5.213 4.550 0.003 0.000 0.334 789 Y C -2.165 173.495 175.900 -0.399 0.000 1.179 789 Y CA -1.990 55.884 58.100 -0.376 0.000 1.050 789 Y CB 0.811 38.918 38.460 -0.589 0.000 1.308 789 Y HN 0.573 nan 8.280 nan 0.000 0.456 790 Y N 0.585 120.975 120.300 0.151 0.000 2.323 790 Y HA 0.443 4.995 4.550 0.003 0.000 0.331 790 Y C 1.174 177.282 175.900 0.348 0.000 1.092 790 Y CA 0.005 58.202 58.100 0.163 0.000 1.150 790 Y CB 2.172 40.749 38.460 0.194 0.000 1.200 790 Y HN 0.782 nan 8.280 nan 0.000 0.472 791 T N -2.306 112.480 114.554 0.386 0.000 3.023 791 T HA 0.201 4.553 4.350 0.003 0.000 0.253 791 T C -0.073 174.917 174.700 0.484 0.000 1.038 791 T CA -0.070 62.290 62.100 0.433 0.000 0.962 791 T CB -0.273 68.732 68.868 0.228 0.000 1.018 791 T HN 0.585 nan 8.240 nan 0.000 0.521 792 N N 0.106 118.970 118.700 0.273 0.000 2.521 792 N HA 0.488 5.229 4.740 0.003 0.000 0.269 792 N C -2.103 173.063 175.510 -0.574 0.000 1.079 792 N CA -0.782 52.127 53.050 -0.234 0.000 0.980 792 N CB 1.304 39.670 38.487 -0.202 0.000 1.667 792 N HN 0.242 nan 8.380 nan 0.000 0.498 793 I N 2.805 122.728 120.570 -1.079 0.000 2.571 793 I HA 0.597 4.769 4.170 0.003 0.000 0.286 793 I C 0.766 176.419 176.117 -0.774 0.000 1.134 793 I CA -0.357 60.379 61.300 -0.940 0.000 1.052 793 I CB 1.960 39.386 38.000 -0.956 0.000 1.237 793 I HN 0.965 nan 8.210 nan 0.000 0.435 794 G N 4.807 113.262 108.800 -0.575 0.000 2.284 794 G HA2 -0.259 3.703 3.960 0.003 0.000 0.201 794 G HA3 -0.259 3.703 3.960 0.003 0.000 0.201 794 G C 0.058 174.824 174.900 -0.223 0.000 0.998 794 G CA -0.531 44.355 45.100 -0.357 0.000 0.651 794 G HN 0.502 nan 8.290 nan 0.000 0.489 795 F N 3.030 122.782 119.950 -0.330 0.000 2.490 795 F HA 0.524 5.053 4.527 0.003 0.000 0.357 795 F C 0.953 176.690 175.800 -0.105 0.000 1.166 795 F CA -0.491 57.382 58.000 -0.212 0.000 1.116 795 F CB -0.565 38.362 39.000 -0.122 0.000 1.171 795 F HN 0.321 nan 8.300 nan 0.000 0.576 796 Y N 3.767 123.643 120.300 -0.705 0.000 3.037 796 Y HA -0.304 4.247 4.550 0.003 0.000 0.204 796 Y C 1.021 176.698 175.900 -0.371 0.000 1.275 796 Y CA 0.823 58.582 58.100 -0.569 0.000 1.066 796 Y CB -2.515 35.493 38.460 -0.753 0.000 1.305 796 Y HN 0.793 nan 8.280 nan 0.000 0.499 797 T N -0.696 113.739 114.554 -0.198 0.000 3.886 797 T HA -0.051 4.301 4.350 0.003 0.000 0.371 797 T C 0.096 174.612 174.700 -0.307 0.000 0.760 797 T CA 0.937 62.917 62.100 -0.199 0.000 1.966 797 T CB -1.477 67.348 68.868 -0.072 0.000 1.793 797 T HN 1.216 nan 8.240 nan 0.000 0.798 798 S N -1.497 113.967 115.700 -0.393 0.000 2.688 798 S HA 0.948 5.419 4.470 0.003 0.000 0.275 798 S C -0.877 173.339 174.600 -0.640 0.000 1.175 798 S CA -0.499 57.426 58.200 -0.459 0.000 0.818 798 S CB 2.332 65.375 63.200 -0.261 0.000 1.157 798 S HN 1.522 nan 8.310 nan 0.000 0.482 799 A N 0.246 122.543 122.820 -0.872 0.000 2.587 799 A HA 0.917 5.239 4.320 0.003 0.000 0.293 799 A C -0.831 176.282 177.584 -0.786 0.000 1.087 799 A CA -0.723 50.783 52.037 -0.886 0.000 0.692 799 A CB 1.634 20.005 19.000 -1.048 0.000 1.291 799 A HN 1.044 nan 8.150 nan 0.000 0.407 800 S N -0.373 115.104 115.700 -0.372 0.000 2.548 800 S HA 0.638 5.109 4.470 0.003 0.000 0.276 800 S C -1.585 172.996 174.600 -0.031 0.000 1.129 800 S CA -0.261 57.861 58.200 -0.132 0.000 0.931 800 S CB 0.763 63.933 63.200 -0.050 0.000 1.068 800 S HN 0.472 nan 8.310 nan 0.000 0.480 801 Y N 1.195 121.578 120.300 0.137 0.000 2.307 801 Y HA 0.547 5.098 4.550 0.003 0.000 0.324 801 Y C 1.251 177.017 175.900 -0.223 0.000 1.238 801 Y CA -0.070 57.971 58.100 -0.099 0.000 1.280 801 Y CB 0.583 39.010 38.460 -0.055 0.000 1.248 801 Y HN 0.771 nan 8.280 nan 0.000 0.508 802 G N 0.755 109.251 108.800 -0.507 0.000 2.572 802 G HA2 0.131 4.092 3.960 0.003 0.000 0.261 802 G HA3 0.131 4.092 3.960 0.003 0.000 0.261 802 G C -0.914 173.665 174.900 -0.535 0.000 1.197 802 G CA -0.733 43.958 45.100 -0.680 0.000 0.870 802 G HN 0.544 nan 8.290 nan 0.000 0.548 803 D N 1.465 121.720 120.400 -0.243 0.000 2.450 803 D HA 0.220 4.862 4.640 0.003 0.000 0.247 803 D C -1.664 174.468 176.300 -0.280 0.000 1.162 803 D CA -0.373 53.426 54.000 -0.335 0.000 0.879 803 D CB 0.994 41.852 40.800 0.096 0.000 1.163 803 D HN 0.025 nan 8.370 nan 0.000 0.472 804 P HA 0.009 nan 4.420 nan 0.000 0.271 804 P C 0.026 177.426 177.300 0.167 0.000 1.244 804 P CA -0.407 62.623 63.100 -0.118 0.000 0.793 804 P CB 0.487 32.119 31.700 -0.114 0.000 0.984 805 R N 1.867 122.453 120.500 0.143 0.000 2.494 805 R HA -0.033 4.308 4.340 0.003 0.000 0.291 805 R C -0.204 176.137 176.300 0.069 0.000 0.953 805 R CA 0.748 56.913 56.100 0.108 0.000 1.098 805 R CB -0.838 29.497 30.300 0.058 0.000 0.911 805 R HN 0.661 nan 8.270 nan 0.000 0.407 806 N N 2.573 121.279 118.700 0.010 0.000 2.416 806 N HA 0.467 5.209 4.740 0.003 0.000 0.276 806 N C -1.786 173.652 175.510 -0.120 0.000 1.261 806 N CA -0.945 51.997 53.050 -0.180 0.000 0.790 806 N CB 1.294 39.693 38.487 -0.147 0.000 1.554 806 N HN 0.222 nan 8.380 nan 0.000 0.481 807 L N 0.052 121.176 121.223 -0.165 0.000 2.341 807 L HA 0.709 5.050 4.340 0.003 0.000 0.267 807 L C -0.877 175.941 176.870 -0.086 0.000 1.009 807 L CA -0.715 54.056 54.840 -0.116 0.000 0.819 807 L CB 1.936 43.980 42.059 -0.024 0.000 1.323 807 L HN 0.794 nan 8.230 nan 0.000 0.425 808 M N 2.512 122.020 119.600 -0.154 0.000 2.165 808 M HA 0.548 5.030 4.480 0.003 0.000 0.283 808 M C -1.908 174.291 176.300 -0.169 0.000 0.978 808 M CA -0.186 55.073 55.300 -0.070 0.000 0.948 808 M CB 1.067 33.647 32.600 -0.034 0.000 1.599 808 M HN 0.204 nan 8.290 nan 0.000 0.450 809 F N 2.337 122.263 119.950 -0.040 0.000 2.405 809 F HA 0.674 5.203 4.527 0.002 0.000 0.355 809 F C 0.514 176.315 175.800 0.001 0.000 1.121 809 F CA -0.219 57.769 58.000 -0.019 0.000 1.112 809 F CB 1.637 40.622 39.000 -0.025 0.000 1.126 809 F HN 0.537 nan 8.300 nan 0.000 0.481 810 S N 1.276 117.067 115.700 0.151 0.000 2.526 810 S HA 0.760 5.232 4.470 0.003 0.000 0.293 810 S C -0.775 173.891 174.600 0.111 0.000 1.092 810 S CA -0.609 57.656 58.200 0.107 0.000 0.980 810 S CB 1.379 64.609 63.200 0.050 0.000 1.048 810 S HN 0.589 nan 8.310 nan 0.000 0.483 811 T N 2.834 117.456 114.554 0.114 0.000 2.848 811 T HA 0.537 4.888 4.350 0.003 0.000 0.285 811 T C -0.603 174.173 174.700 0.125 0.000 0.995 811 T CA -0.742 61.424 62.100 0.111 0.000 0.970 811 T CB 1.380 70.317 68.868 0.114 0.000 0.976 811 T HN 0.526 nan 8.240 nan 0.000 0.441 812 R N 1.772 122.339 120.500 0.112 0.000 2.494 812 R HA 0.524 4.866 4.340 0.003 0.000 0.305 812 R C -1.821 174.596 176.300 0.195 0.000 0.959 812 R CA -0.825 55.349 56.100 0.124 0.000 0.864 812 R CB 1.312 31.626 30.300 0.024 0.000 1.159 812 R HN 0.689 nan 8.270 nan 0.000 0.446 813 W N 5.496 126.788 121.300 -0.013 0.000 2.362 813 W HA 0.354 5.015 4.660 0.002 0.000 0.316 813 W C -1.573 174.845 176.519 -0.168 0.000 1.024 813 W CA -1.443 55.880 57.345 -0.036 0.000 1.270 813 W CB 0.975 30.453 29.460 0.030 0.000 1.273 813 W HN 0.576 nan 8.180 nan 0.000 0.424 814 D N 6.553 126.970 120.400 0.028 0.000 2.280 814 D HA 0.301 4.943 4.640 0.003 0.000 0.243 814 D C 0.057 176.194 176.300 -0.272 0.000 1.129 814 D CA 0.039 53.858 54.000 -0.301 0.000 0.848 814 D CB 0.575 41.308 40.800 -0.112 0.000 1.107 814 D HN 0.079 nan 8.370 nan 0.000 0.471 815 F N 0.000 119.821 119.950 -0.214 0.000 2.286 815 F HA 0.000 4.529 4.527 0.003 0.000 0.279 815 F CA 0.000 57.980 58.000 -0.033 0.000 1.383 815 F CB 0.000 38.952 39.000 -0.080 0.000 1.145 815 F HN 0.000 nan 8.300 nan 0.000 0.574