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 1f8v_1_A DATA FIRST_RESID 7 DATA SEQUENCE NRRNKARKVV SRSTALVPMA PASQRTGPAP RKPRKRNQAL VRNPRLTDAG DATA SEQUENCE LAFLKCAFAA PDFSVDPGKG IPDNFHGRTL AIKDCNTTSV VFTPNTDTYI DATA SEQUENCE VVAPVPGFAY FRAEVAVGAQ PTTFVGVPYP TYATNFGAGS QNGLPAVNNY DATA SEQUENCE SKFRYASMAC GLYPTSNMMQ FSGSVQVWRV DLNLSEAVNP AVTAITPAPG DATA SEQUENCE VFANFVDKRI NGLRGIRPLA PRDNYSGNFI DGAYTFAFDK STDFEWCDFV DATA SEQUENCE RSLEFSESNV LGAATAMKLL APGGGTDTTL TGLGNVNTLV YKISTPTGAV DATA SEQUENCE NTAILRTWNC IELQPYTDSA LFQFSGVSPP FDPLALECYH NLKMRFPVAV DATA SEQUENCE SSREN 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 7 N HA 0.000 nan 4.740 nan 0.000 0.220 7 N C 0.000 175.510 175.510 0.001 0.000 1.280 7 N CA 0.000 53.050 53.050 0.001 0.000 0.885 7 N CB 0.000 38.487 38.487 0.001 0.000 1.341 8 R N 1.479 121.980 120.500 0.001 0.000 2.732 8 R HA 0.522 4.862 4.340 0.000 0.000 0.278 8 R C 1.150 177.450 176.300 0.001 0.000 0.976 8 R CA -0.692 55.409 56.100 0.001 0.000 0.963 8 R CB 1.452 31.753 30.300 0.001 0.000 1.150 8 R HN 0.087 nan 8.270 nan 0.000 0.478 9 R N 0.532 121.032 120.500 0.001 0.000 2.094 9 R HA 0.004 4.344 4.340 0.000 0.000 0.214 9 R C 0.583 176.883 176.300 0.001 0.000 1.174 9 R CA 1.187 57.287 56.100 0.001 0.000 0.919 9 R CB -0.304 29.996 30.300 0.001 0.000 0.795 9 R HN 0.391 nan 8.270 nan 0.000 0.465 10 N N 1.812 120.513 118.700 0.001 0.000 2.542 10 N HA -0.040 4.700 4.740 0.000 0.000 0.234 10 N C -1.230 174.280 175.510 0.001 0.000 1.257 10 N CA 0.133 53.184 53.050 0.001 0.000 0.883 10 N CB -0.262 38.226 38.487 0.001 0.000 1.197 10 N HN 0.156 nan 8.380 nan 0.000 0.488 11 K N -0.838 119.562 120.400 0.001 0.000 2.185 11 K HA 0.542 4.862 4.320 0.000 0.000 0.271 11 K C -0.026 176.574 176.600 0.001 0.000 1.013 11 K CA -0.844 55.443 56.287 0.001 0.000 0.943 11 K CB 1.035 33.535 32.500 0.001 0.000 0.998 11 K HN 0.005 nan 8.250 nan 0.000 0.468 12 A N 2.969 125.790 122.820 0.001 0.000 2.407 12 A HA 0.180 4.500 4.320 0.000 0.000 0.248 12 A C -0.300 177.284 177.584 0.001 0.000 1.082 12 A CA -0.710 51.328 52.037 0.001 0.000 0.785 12 A CB 0.182 19.183 19.000 0.001 0.000 1.020 12 A HN 0.683 nan 8.150 nan 0.000 0.489 13 R N 2.290 122.791 120.500 0.001 0.000 2.254 13 R HA 0.292 4.632 4.340 0.000 0.000 0.318 13 R C -0.412 175.889 176.300 0.001 0.000 1.031 13 R CA -0.256 55.845 56.100 0.001 0.000 0.905 13 R CB 0.580 30.880 30.300 0.001 0.000 1.050 13 R HN 0.680 nan 8.270 nan 0.000 0.456 14 K N 1.342 121.742 120.400 0.001 0.000 2.098 14 K HA 0.425 4.745 4.320 0.000 0.000 0.257 14 K C -0.257 176.343 176.600 0.001 0.000 0.999 14 K CA -0.811 55.476 56.287 0.001 0.000 0.924 14 K CB 1.357 33.858 32.500 0.001 0.000 1.028 14 K HN 0.175 nan 8.250 nan 0.000 0.466 15 V N 2.202 122.117 119.914 0.001 0.000 2.398 15 V HA 0.025 4.145 4.120 0.000 0.000 0.282 15 V C -0.273 175.821 176.094 0.001 0.000 1.014 15 V CA -1.128 61.173 62.300 0.001 0.000 0.838 15 V CB 1.392 33.216 31.823 0.001 0.000 1.018 15 V HN 0.585 nan 8.190 nan 0.000 0.432 16 V N 3.295 123.209 119.914 0.001 0.000 3.121 16 V HA -0.174 3.946 4.120 0.000 0.000 0.277 16 V C 1.008 177.102 176.094 0.001 0.000 1.474 16 V CA 0.999 63.299 62.300 0.001 0.000 1.468 16 V CB -0.248 31.575 31.823 0.001 0.000 0.819 16 V HN 0.902 nan 8.190 nan 0.000 0.450 17 S N 4.135 119.836 115.700 0.000 0.000 2.562 17 S HA 0.336 4.806 4.470 0.000 0.000 0.275 17 S C 0.972 175.572 174.600 0.000 0.000 1.281 17 S CA -0.577 57.623 58.200 0.000 0.000 1.045 17 S CB 1.247 64.447 63.200 0.000 0.000 0.962 17 S HN 0.841 nan 8.310 nan 0.000 0.503 18 R N 2.423 122.923 120.500 0.000 0.000 2.340 18 R HA -0.044 4.296 4.340 0.000 0.000 0.199 18 R C 0.070 176.370 176.300 0.000 0.000 0.998 18 R CA 1.331 57.431 56.100 0.000 0.000 0.874 18 R CB -0.772 29.528 30.300 0.000 0.000 0.721 18 R HN 0.590 nan 8.270 nan 0.000 0.473 19 S N 0.138 115.839 115.700 0.000 0.000 2.448 19 S HA 0.059 4.529 4.470 0.000 0.000 0.279 19 S C 0.730 175.330 174.600 0.000 0.000 1.195 19 S CA -0.156 58.044 58.200 0.000 0.000 1.051 19 S CB 1.649 64.849 63.200 0.000 0.000 0.948 19 S HN 0.584 nan 8.310 nan 0.000 0.493 20 T N 0.667 115.221 114.554 0.000 0.000 3.072 20 T HA 0.032 4.382 4.350 0.000 0.000 0.266 20 T C 1.484 176.184 174.700 0.000 0.000 1.127 20 T CA 0.630 62.730 62.100 0.000 0.000 1.107 20 T CB -0.031 68.837 68.868 0.000 0.000 0.910 20 T HN 0.606 nan 8.240 nan 0.000 0.513 21 A N 0.774 123.594 122.820 0.000 0.000 2.085 21 A HA 0.519 4.839 4.320 0.000 0.000 0.208 21 A C 1.949 179.533 177.584 0.000 0.000 1.191 21 A CA -0.025 52.012 52.037 0.000 0.000 0.799 21 A CB -0.119 18.881 19.000 0.000 0.000 0.877 21 A HN 0.475 nan 8.150 nan 0.000 0.473 22 L N -0.079 121.145 121.223 0.000 0.000 2.616 22 L HA 0.206 4.546 4.340 0.000 0.000 0.229 22 L C -0.619 176.251 176.870 0.000 0.000 1.110 22 L CA 0.120 54.961 54.840 0.000 0.000 0.884 22 L CB 0.768 42.827 42.059 0.000 0.000 1.115 22 L HN 0.058 nan 8.230 nan 0.000 0.481 23 V N 0.141 120.056 119.914 0.000 0.000 2.531 23 V HA 0.382 4.502 4.120 0.000 0.000 0.301 23 V C -2.175 173.919 176.094 0.000 0.000 1.034 23 V CA -1.637 60.663 62.300 0.000 0.000 0.865 23 V CB 1.516 33.339 31.823 0.000 0.000 0.995 23 V HN -0.023 nan 8.190 nan 0.000 0.424 24 P HA 0.221 nan 4.420 nan 0.000 0.269 24 P C -0.225 177.075 177.300 0.000 0.000 1.215 24 P CA -0.416 62.684 63.100 0.000 0.000 0.780 24 P CB 0.360 32.060 31.700 0.000 0.000 0.898 25 M N 1.400 121.000 119.600 0.000 0.000 2.228 25 M HA 0.487 4.967 4.480 0.000 0.000 0.351 25 M C -0.353 175.947 176.300 0.000 0.000 1.233 25 M CA 0.160 55.460 55.300 0.000 0.000 1.129 25 M CB 0.568 33.169 32.600 0.000 0.000 1.604 25 M HN 0.313 nan 8.290 nan 0.000 0.457 26 A N 4.798 127.618 122.820 0.000 0.000 2.282 26 A HA 0.855 5.175 4.320 0.000 0.000 0.319 26 A C -2.440 175.145 177.584 0.001 0.000 1.121 26 A CA -1.568 50.470 52.037 0.000 0.000 0.836 26 A CB -0.152 18.849 19.000 0.000 0.000 1.146 26 A HN 0.772 nan 8.150 nan 0.000 0.494 27 P HA 0.369 nan 4.420 nan 0.000 0.276 27 P C -0.175 177.125 177.300 0.001 0.000 1.230 27 P CA 0.082 63.183 63.100 0.001 0.000 0.776 27 P CB 0.917 32.617 31.700 0.001 0.000 0.888 28 A N 3.433 126.253 122.820 0.001 0.000 2.483 28 A HA 0.228 4.548 4.320 0.000 0.000 0.238 28 A C 0.629 178.213 177.584 0.001 0.000 1.070 28 A CA -0.012 52.026 52.037 0.001 0.000 0.770 28 A CB -0.400 18.601 19.000 0.001 0.000 1.008 28 A HN 0.558 nan 8.150 nan 0.000 0.497 29 S N 1.413 117.113 115.700 0.001 0.000 2.549 29 S HA 0.329 4.799 4.470 0.000 0.000 0.279 29 S C 0.230 174.830 174.600 0.001 0.000 1.321 29 S CA -0.148 58.053 58.200 0.001 0.000 1.054 29 S CB 0.512 63.713 63.200 0.001 0.000 0.899 29 S HN 0.726 nan 8.310 nan 0.000 0.497 30 Q N 0.869 120.669 119.800 0.001 0.000 2.572 30 Q HA 0.737 5.077 4.340 0.000 0.000 0.284 30 Q C -0.438 175.562 176.000 0.001 0.000 1.091 30 Q CA -1.171 54.632 55.803 0.001 0.000 0.840 30 Q CB 1.621 30.360 28.738 0.001 0.000 1.433 30 Q HN 0.764 nan 8.270 nan 0.000 0.471 31 R N -1.486 119.015 120.500 0.001 0.000 2.817 31 R HA 0.682 5.022 4.340 0.000 0.000 0.268 31 R C -1.321 174.979 176.300 0.001 0.000 1.027 31 R CA -0.744 55.357 56.100 0.001 0.000 0.928 31 R CB 1.376 31.676 30.300 0.001 0.000 1.228 31 R HN 0.345 nan 8.270 nan 0.000 0.469 32 T N 0.938 115.493 114.554 0.001 0.000 2.771 32 T HA 0.657 5.007 4.350 0.000 0.000 0.281 32 T C -0.158 174.543 174.700 0.001 0.000 0.982 32 T CA 0.540 62.641 62.100 0.001 0.000 0.978 32 T CB 1.213 70.082 68.868 0.001 0.000 0.930 32 T HN 1.049 nan 8.240 nan 0.000 0.447 33 G N 5.080 113.881 108.800 0.001 0.000 2.755 33 G HA2 -0.095 3.865 3.960 0.000 0.000 0.686 33 G HA3 -0.095 3.865 3.960 0.000 0.000 0.686 33 G C -3.011 171.890 174.900 0.001 0.000 1.427 33 G CA -1.408 43.693 45.100 0.001 0.000 0.873 33 G HN 0.629 nan 8.290 nan 0.000 0.580 34 P HA 0.507 nan 4.420 nan 0.000 0.272 34 P C 0.468 177.769 177.300 0.001 0.000 1.230 34 P CA 0.481 63.581 63.100 0.001 0.000 0.788 34 P CB 0.592 32.292 31.700 0.001 0.000 0.949 35 A N 2.849 125.670 122.820 0.001 0.000 2.296 35 A HA 0.527 4.847 4.320 0.000 0.000 0.264 35 A C -1.990 175.596 177.584 0.002 0.000 1.097 35 A CA -1.102 50.936 52.037 0.002 0.000 0.811 35 A CB -1.558 17.443 19.000 0.002 0.000 1.072 35 A HN 0.445 nan 8.150 nan 0.000 0.495 36 P HA 0.150 nan 4.420 nan 0.000 0.266 36 P C -0.350 176.952 177.300 0.003 0.000 1.195 36 P CA -0.027 63.075 63.100 0.003 0.000 0.768 36 P CB 0.329 32.031 31.700 0.003 0.000 0.838 37 R N 1.952 122.453 120.500 0.003 0.000 2.756 37 R HA 0.087 4.427 4.340 0.000 0.000 0.264 37 R C 0.231 176.532 176.300 0.003 0.000 1.026 37 R CA -0.188 55.913 56.100 0.003 0.000 1.121 37 R CB -0.045 30.257 30.300 0.003 0.000 0.999 37 R HN 0.431 nan 8.270 nan 0.000 0.449 38 K N 2.283 122.685 120.400 0.003 0.000 2.489 38 K HA 0.056 4.376 4.320 0.000 0.000 0.278 38 K C -2.018 174.584 176.600 0.004 0.000 1.000 38 K CA -0.704 55.584 56.287 0.003 0.000 1.012 38 K CB -0.330 32.172 32.500 0.003 0.000 0.903 38 K HN 0.352 nan 8.250 nan 0.000 0.485 39 P HA -0.138 nan 4.420 nan 0.000 0.265 39 P C -0.830 176.473 177.300 0.005 0.000 1.167 39 P CA 0.191 63.294 63.100 0.005 0.000 0.760 39 P CB 0.368 32.070 31.700 0.005 0.000 0.783 40 R N 2.534 123.038 120.500 0.005 0.000 2.543 40 R HA 0.227 4.567 4.340 0.000 0.000 0.277 40 R C -0.002 176.301 176.300 0.006 0.000 1.074 40 R CA -0.149 55.954 56.100 0.006 0.000 1.076 40 R CB 0.351 30.655 30.300 0.007 0.000 0.993 40 R HN 0.282 nan 8.270 nan 0.000 0.459 41 K N 2.828 123.231 120.400 0.005 0.000 2.219 41 K HA 0.072 4.392 4.320 0.000 0.000 0.258 41 K C 0.287 176.891 176.600 0.006 0.000 1.008 41 K CA -0.526 55.764 56.287 0.005 0.000 0.928 41 K CB 0.596 33.099 32.500 0.005 0.000 0.983 41 K HN 0.609 nan 8.250 nan 0.000 0.484 42 R N 1.006 121.510 120.500 0.006 0.000 2.323 42 R HA -0.018 4.322 4.340 0.000 0.000 0.198 42 R C 0.957 177.261 176.300 0.007 0.000 0.988 42 R CA 0.307 56.411 56.100 0.007 0.000 1.041 42 R CB -0.016 30.288 30.300 0.006 0.000 0.926 42 R HN 0.565 nan 8.270 nan 0.000 0.476 43 N N 0.066 118.769 118.700 0.006 0.000 2.416 43 N HA -0.104 4.636 4.740 0.000 0.000 0.177 43 N C 0.236 175.750 175.510 0.007 0.000 1.036 43 N CA 0.455 53.509 53.050 0.006 0.000 0.901 43 N CB 0.141 38.631 38.487 0.005 0.000 0.976 43 N HN 0.145 nan 8.380 nan 0.000 0.444 44 Q N 1.187 120.991 119.800 0.007 0.000 3.047 44 Q HA 0.281 4.621 4.340 0.000 0.000 0.273 44 Q C -0.441 175.565 176.000 0.010 0.000 1.243 44 Q CA -0.185 55.623 55.803 0.008 0.000 0.929 44 Q CB -0.229 28.513 28.738 0.008 0.000 1.721 44 Q HN 0.252 nan 8.270 nan 0.000 0.471 45 A N 1.126 123.952 122.820 0.010 0.000 2.410 45 A HA 0.253 4.573 4.320 0.000 0.000 0.292 45 A C -0.660 176.931 177.584 0.012 0.000 1.232 45 A CA -0.356 51.688 52.037 0.011 0.000 0.893 45 A CB 0.052 19.057 19.000 0.009 0.000 1.131 45 A HN 0.420 nan 8.150 nan 0.000 0.530 46 L N 4.568 125.801 121.223 0.016 0.000 2.262 46 L HA 0.380 4.720 4.340 0.000 0.000 0.288 46 L C -0.120 176.762 176.870 0.019 0.000 1.035 46 L CA 0.169 55.021 54.840 0.019 0.000 0.820 46 L CB 1.439 43.512 42.059 0.023 0.000 1.204 46 L HN 0.464 nan 8.230 nan 0.000 0.424 47 V N 4.857 124.782 119.914 0.017 0.000 2.567 47 V HA 0.532 4.652 4.120 0.000 0.000 0.289 47 V C 0.207 176.311 176.094 0.017 0.000 1.049 47 V CA -0.778 61.531 62.300 0.015 0.000 0.969 47 V CB 1.588 33.418 31.823 0.011 0.000 0.995 47 V HN 0.713 nan 8.190 nan 0.000 0.471 48 R N 3.401 123.910 120.500 0.015 0.000 2.670 48 R HA 0.435 4.775 4.340 0.000 0.000 0.289 48 R C -0.699 175.602 176.300 0.003 0.000 0.965 48 R CA -0.636 55.471 56.100 0.012 0.000 0.899 48 R CB 1.237 31.546 30.300 0.015 0.000 1.173 48 R HN 0.914 nan 8.270 nan 0.000 0.456 49 N N 5.141 123.838 118.700 -0.004 0.000 2.457 49 N HA 0.235 4.975 4.740 0.000 0.000 0.250 49 N C -2.555 172.944 175.510 -0.018 0.000 0.982 49 N CA -1.713 51.332 53.050 -0.009 0.000 0.941 49 N CB 1.710 40.193 38.487 -0.008 0.000 1.120 49 N HN 0.413 nan 8.380 nan 0.000 0.505 50 P HA 0.183 nan 4.420 nan 0.000 0.268 50 P C -0.931 176.356 177.300 -0.021 0.000 1.541 50 P CA -0.279 62.809 63.100 -0.020 0.000 1.093 50 P CB -0.100 31.594 31.700 -0.010 0.000 1.551 51 R N 2.255 122.736 120.500 -0.032 0.000 2.561 51 R HA 0.594 4.934 4.340 0.000 0.000 0.297 51 R C -0.971 175.306 176.300 -0.038 0.000 0.969 51 R CA -1.440 54.643 56.100 -0.029 0.000 0.879 51 R CB 0.061 30.344 30.300 -0.028 0.000 1.178 51 R HN 0.091 nan 8.270 nan 0.000 0.445 52 L N 2.431 123.639 121.223 -0.024 0.000 2.290 52 L HA 0.440 4.780 4.340 0.000 0.000 0.284 52 L C 0.135 176.991 176.870 -0.024 0.000 1.078 52 L CA 0.504 55.331 54.840 -0.021 0.000 0.815 52 L CB 1.346 43.405 42.059 0.001 0.000 1.162 52 L HN 0.989 nan 8.230 nan 0.000 0.435 53 T N -0.405 114.128 114.554 -0.037 0.000 2.849 53 T HA 0.143 4.493 4.350 0.000 0.000 0.284 53 T C 0.899 175.589 174.700 -0.018 0.000 1.004 53 T CA -0.089 61.991 62.100 -0.033 0.000 1.021 53 T CB 0.773 69.612 68.868 -0.049 0.000 1.013 53 T HN 0.684 nan 8.240 nan 0.000 0.527 54 D N 1.248 121.639 120.400 -0.016 0.000 2.104 54 D HA -0.106 4.534 4.640 0.000 0.000 0.194 54 D C 2.256 178.548 176.300 -0.013 0.000 0.994 54 D CA 1.804 55.795 54.000 -0.016 0.000 0.830 54 D CB -0.515 40.276 40.800 -0.015 0.000 0.959 54 D HN 0.730 nan 8.370 nan 0.000 0.452 55 A N -0.189 122.625 122.820 -0.010 0.000 1.969 55 A HA 0.073 4.393 4.320 0.000 0.000 0.218 55 A C 2.327 179.926 177.584 0.026 0.000 1.169 55 A CA 1.730 53.766 52.037 -0.001 0.000 0.635 55 A CB -1.151 17.844 19.000 -0.007 0.000 0.810 55 A HN 0.378 nan 8.150 nan 0.000 0.445 56 G N -0.529 108.278 108.800 0.012 0.000 2.408 56 G HA2 -0.142 3.818 3.960 0.000 0.000 0.217 56 G HA3 -0.142 3.818 3.960 0.000 0.000 0.217 56 G C 1.510 176.506 174.900 0.160 0.000 1.150 56 G CA 0.854 45.991 45.100 0.062 0.000 0.776 56 G HN 0.390 nan 8.290 nan 0.000 0.542 57 L N 0.553 121.818 121.223 0.069 0.000 2.056 57 L HA 0.021 4.361 4.340 0.000 0.000 0.207 57 L C 3.204 180.076 176.870 0.004 0.000 1.078 57 L CA 1.623 56.487 54.840 0.041 0.000 0.749 57 L CB -0.558 41.499 42.059 -0.002 0.000 0.901 57 L HN 0.335 nan 8.230 nan 0.000 0.433 58 A N -0.246 122.563 122.820 -0.018 0.000 1.933 58 A HA -0.306 4.014 4.320 0.000 0.000 0.218 58 A C 2.091 179.662 177.584 -0.021 0.000 1.175 58 A CA 1.671 53.662 52.037 -0.078 0.000 0.628 58 A CB -0.933 18.029 19.000 -0.064 0.000 0.814 58 A HN 0.546 nan 8.150 nan 0.000 0.444 59 F N 0.193 120.082 119.950 -0.101 0.000 2.161 59 F HA -0.154 4.373 4.527 0.000 0.000 0.300 59 F C 1.644 177.401 175.800 -0.073 0.000 1.089 59 F CA 1.493 59.423 58.000 -0.116 0.000 1.282 59 F CB -0.253 38.659 39.000 -0.147 0.000 1.010 59 F HN 0.137 nan 8.300 nan 0.000 0.485 60 L N 1.073 122.195 121.223 -0.168 0.000 2.056 60 L HA -0.133 4.207 4.340 0.000 0.000 0.207 60 L C 2.359 179.180 176.870 -0.083 0.000 1.078 60 L CA 1.568 56.313 54.840 -0.158 0.000 0.749 60 L CB -1.144 40.975 42.059 0.099 0.000 0.901 60 L HN 0.135 nan 8.230 nan 0.000 0.433 61 K N -1.434 118.921 120.400 -0.076 0.000 2.002 61 K HA -0.198 4.122 4.320 0.000 0.000 0.209 61 K C 2.289 178.870 176.600 -0.032 0.000 1.048 61 K CA 1.670 57.945 56.287 -0.020 0.000 0.930 61 K CB -1.218 31.093 32.500 -0.315 0.000 0.714 61 K HN 0.353 nan 8.250 nan 0.000 0.438 62 C N 1.463 120.688 119.300 -0.125 0.000 2.413 62 C HA -0.112 4.348 4.460 0.000 0.000 0.276 62 C C 2.975 177.847 174.990 -0.196 0.000 1.248 62 C CA 1.126 60.078 59.018 -0.111 0.000 1.742 62 C CB -0.989 26.697 27.740 -0.089 0.000 2.017 62 C HN 0.543 nan 8.230 nan 0.000 0.481 63 A N -0.603 121.981 122.820 -0.393 0.000 1.858 63 A HA -0.005 4.315 4.320 0.000 0.000 0.216 63 A C 1.857 178.999 177.584 -0.737 0.000 1.190 63 A CA 1.986 53.651 52.037 -0.620 0.000 0.617 63 A CB -0.812 17.576 19.000 -1.021 0.000 0.827 63 A HN 0.621 nan 8.150 nan 0.000 0.443 64 F N -0.957 118.774 119.950 -0.364 0.000 2.343 64 F HA 0.369 4.896 4.527 0.000 0.000 0.286 64 F C 1.943 177.586 175.800 -0.262 0.000 1.057 64 F CA 0.612 58.276 58.000 -0.559 0.000 1.365 64 F CB 0.045 38.568 39.000 -0.794 0.000 1.114 64 F HN 0.157 nan 8.300 nan 0.000 0.545 65 A N 0.419 123.249 122.820 0.015 0.000 3.282 65 A HA 0.664 4.984 4.320 0.000 0.000 0.287 65 A C 1.608 179.148 177.584 -0.072 0.000 1.366 65 A CA 0.367 52.381 52.037 -0.037 0.000 1.069 65 A CB -1.011 17.988 19.000 -0.000 0.000 1.109 65 A HN 0.260 nan 8.150 nan 0.000 0.638 66 A N 2.177 124.887 122.820 -0.184 0.000 1.915 66 A HA -0.124 4.196 4.320 0.000 0.000 0.220 66 A C 0.156 177.472 177.584 -0.448 0.000 1.198 66 A CA 2.299 54.099 52.037 -0.394 0.000 0.647 66 A CB -1.105 17.413 19.000 -0.803 0.000 0.825 66 A HN 0.535 nan 8.150 nan 0.000 0.456 67 P HA 0.127 nan 4.420 nan 0.000 0.257 67 P C -0.588 176.547 177.300 -0.275 0.000 1.281 67 P CA 0.476 63.409 63.100 -0.278 0.000 0.826 67 P CB 0.184 31.728 31.700 -0.259 0.000 1.237 68 D N -0.563 119.542 120.400 -0.492 0.000 2.328 68 D HA 0.160 4.800 4.640 0.000 0.000 0.226 68 D C 0.186 175.809 176.300 -1.128 0.000 1.066 68 D CA 0.453 53.961 54.000 -0.821 0.000 0.861 68 D CB -0.251 39.946 40.800 -1.006 0.000 0.912 68 D HN 0.204 nan 8.370 nan 0.000 0.521 69 F N -0.964 118.962 119.950 -0.040 0.000 2.654 69 F HA 0.293 4.820 4.527 0.000 0.000 0.334 69 F C 1.737 177.536 175.800 -0.001 0.000 1.078 69 F CA -1.024 56.964 58.000 -0.020 0.000 0.986 69 F CB 0.965 39.953 39.000 -0.020 0.000 1.362 69 F HN -0.400 nan 8.300 nan 0.000 0.498 70 S N -0.328 115.494 115.700 0.204 0.000 2.383 70 S HA 0.061 4.531 4.470 0.000 0.000 0.227 70 S C 0.203 174.867 174.600 0.107 0.000 1.026 70 S CA 0.678 58.945 58.200 0.112 0.000 0.981 70 S CB -0.015 63.237 63.200 0.086 0.000 0.818 70 S HN 0.266 nan 8.310 nan 0.000 0.472 71 V N 1.630 121.622 119.914 0.130 0.000 2.851 71 V HA 0.265 4.385 4.120 0.000 0.000 0.307 71 V C -0.862 175.297 176.094 0.108 0.000 1.129 71 V CA -1.253 61.105 62.300 0.096 0.000 0.932 71 V CB 2.024 33.878 31.823 0.053 0.000 1.024 71 V HN 0.090 nan 8.190 nan 0.000 0.426 72 D N 6.100 126.567 120.400 0.111 0.000 2.502 72 D HA 0.032 4.672 4.640 0.000 0.000 0.249 72 D C -1.145 175.170 176.300 0.024 0.000 1.188 72 D CA -0.645 53.417 54.000 0.103 0.000 0.890 72 D CB 1.773 42.645 40.800 0.120 0.000 1.140 72 D HN 0.352 nan 8.370 nan 0.000 0.505 73 P HA 0.017 nan 4.420 nan 0.000 0.222 73 P C 0.733 177.988 177.300 -0.075 0.000 1.153 73 P CA -0.022 63.002 63.100 -0.126 0.000 0.798 73 P CB 0.060 31.556 31.700 -0.339 0.000 0.796 74 G N 1.234 110.009 108.800 -0.042 0.000 2.349 74 G HA2 -0.061 3.899 3.960 0.000 0.000 0.232 74 G HA3 -0.061 3.899 3.960 0.000 0.000 0.232 74 G C 0.700 175.599 174.900 -0.001 0.000 1.240 74 G CA -0.048 45.045 45.100 -0.013 0.000 0.870 74 G HN 0.181 nan 8.290 nan 0.000 0.528 75 K N 0.983 121.390 120.400 0.012 0.000 2.558 75 K HA 0.309 4.629 4.320 0.000 0.000 0.215 75 K C 0.818 177.423 176.600 0.008 0.000 1.298 75 K CA 0.415 56.709 56.287 0.011 0.000 1.008 75 K CB 1.482 33.988 32.500 0.010 0.000 1.073 75 K HN 1.125 nan 8.250 nan 0.000 0.606 76 G N 1.512 110.313 108.800 0.002 0.000 2.343 76 G HA2 -0.025 3.935 3.960 0.000 0.000 0.465 76 G HA3 -0.025 3.935 3.960 0.000 0.000 0.465 76 G C -1.512 173.304 174.900 -0.140 0.000 1.282 76 G CA -1.127 43.941 45.100 -0.053 0.000 0.996 76 G HN -0.008 nan 8.290 nan 0.000 0.521 77 I N 2.327 122.707 120.570 -0.316 0.000 2.371 77 I HA 0.351 4.521 4.170 0.000 0.000 0.290 77 I C -1.522 174.298 176.117 -0.495 0.000 1.028 77 I CA -1.880 59.005 61.300 -0.692 0.000 1.345 77 I CB 1.885 39.389 38.000 -0.827 0.000 1.407 77 I HN 0.247 nan 8.210 nan 0.000 0.501 78 P HA 0.115 nan 4.420 nan 0.000 0.220 78 P C -1.301 175.922 177.300 -0.128 0.000 1.806 78 P CA -0.196 62.723 63.100 -0.301 0.000 0.976 78 P CB -0.328 31.171 31.700 -0.335 0.000 1.952 79 D N -0.358 120.044 120.400 0.002 0.000 2.624 79 D HA 0.122 4.762 4.640 0.000 0.000 0.257 79 D C 0.712 177.165 176.300 0.254 0.000 1.167 79 D CA -0.773 53.369 54.000 0.237 0.000 1.086 79 D CB -0.261 40.614 40.800 0.125 0.000 1.210 79 D HN -0.258 nan 8.370 nan 0.000 0.631 80 N N -0.987 117.760 118.700 0.078 0.000 2.515 80 N HA 0.008 4.748 4.740 0.000 0.000 0.191 80 N C 0.879 176.446 175.510 0.095 0.000 1.182 80 N CA -0.105 52.892 53.050 -0.089 0.000 0.879 80 N CB -0.531 37.763 38.487 -0.320 0.000 0.984 80 N HN 0.323 nan 8.380 nan 0.000 0.453 81 F N 1.730 121.746 119.950 0.110 0.000 2.102 81 F HA -0.169 4.358 4.527 0.000 0.000 0.298 81 F C 0.929 176.833 175.800 0.175 0.000 1.105 81 F CA 1.077 59.183 58.000 0.176 0.000 1.239 81 F CB -0.480 38.695 39.000 0.292 0.000 0.991 81 F HN 0.195 nan 8.300 nan 0.000 0.474 82 H N 0.142 119.249 119.070 0.062 0.000 2.284 82 H HA -0.048 4.508 4.556 0.000 0.000 0.322 82 H C -0.078 175.122 175.328 -0.213 0.000 0.973 82 H CA 0.093 56.124 56.048 -0.028 0.000 1.076 82 H CB -1.066 28.669 29.762 -0.046 0.000 1.596 82 H HN 0.569 nan 8.280 nan 0.000 0.361 83 G N 1.258 109.892 108.800 -0.277 0.000 2.921 83 G HA2 0.465 4.425 3.960 0.000 0.000 0.291 83 G HA3 0.465 4.425 3.960 0.000 0.000 0.291 83 G C -0.915 174.009 174.900 0.040 0.000 1.370 83 G CA -0.784 44.089 45.100 -0.378 0.000 0.847 83 G HN 0.508 nan 8.290 nan 0.000 0.532 84 R N -0.157 120.378 120.500 0.059 0.000 2.296 84 R HA 0.526 4.866 4.340 0.000 0.000 0.323 84 R C -0.010 176.461 176.300 0.285 0.000 1.067 84 R CA 0.463 56.644 56.100 0.134 0.000 0.946 84 R CB 0.130 30.486 30.300 0.094 0.000 0.991 84 R HN 0.710 nan 8.270 nan 0.000 0.448 85 T N 1.193 115.899 114.554 0.253 0.000 2.838 85 T HA 0.528 4.878 4.350 0.000 0.000 0.292 85 T C -1.261 173.558 174.700 0.198 0.000 1.113 85 T CA -1.020 61.247 62.100 0.279 0.000 1.008 85 T CB 1.474 70.518 68.868 0.293 0.000 1.259 85 T HN 0.314 nan 8.240 nan 0.000 0.520 86 L N 1.325 122.688 121.223 0.233 0.000 2.406 86 L HA 0.799 5.139 4.340 0.000 0.000 0.272 86 L C -0.507 176.447 176.870 0.140 0.000 0.980 86 L CA -0.974 53.994 54.840 0.213 0.000 0.831 86 L CB 1.119 43.398 42.059 0.366 0.000 1.253 86 L HN 1.137 nan 8.230 nan 0.000 0.406 87 A N 6.256 129.123 122.820 0.078 0.000 2.271 87 A HA 0.695 5.016 4.320 0.000 0.000 0.317 87 A C -0.433 177.138 177.584 -0.021 0.000 1.245 87 A CA -0.390 51.656 52.037 0.015 0.000 0.857 87 A CB 0.163 19.170 19.000 0.012 0.000 1.175 87 A HN 0.651 nan 8.150 nan 0.000 0.512 88 I N 2.355 122.881 120.570 -0.073 0.000 2.325 88 I HA 0.231 4.401 4.170 0.000 0.000 0.291 88 I C -0.239 175.836 176.117 -0.070 0.000 1.019 88 I CA -0.224 61.017 61.300 -0.099 0.000 1.302 88 I CB 1.331 39.223 38.000 -0.180 0.000 1.401 88 I HN 0.523 nan 8.210 nan 0.000 0.485 89 K N 4.789 125.169 120.400 -0.034 0.000 2.521 89 K HA 0.423 4.743 4.320 0.000 0.000 0.248 89 K C -1.232 175.399 176.600 0.052 0.000 0.978 89 K CA -0.461 55.842 56.287 0.026 0.000 0.947 89 K CB 0.927 33.447 32.500 0.034 0.000 1.165 89 K HN 0.338 nan 8.250 nan 0.000 0.445 90 D N 0.585 121.038 120.400 0.089 0.000 2.570 90 D HA 0.502 5.142 4.640 0.000 0.000 0.244 90 D C -1.506 174.944 176.300 0.250 0.000 1.178 90 D CA -0.580 53.497 54.000 0.129 0.000 0.881 90 D CB 1.925 42.744 40.800 0.032 0.000 1.453 90 D HN 0.458 nan 8.370 nan 0.000 0.447 91 C N 2.288 121.705 119.300 0.196 0.000 2.607 91 C HA 0.570 5.030 4.460 0.000 0.000 0.350 91 C C -1.081 173.859 174.990 -0.084 0.000 1.101 91 C CA -0.743 58.250 59.018 -0.042 0.000 1.282 91 C CB 0.058 27.491 27.740 -0.511 0.000 1.825 91 C HN 0.608 nan 8.230 nan 0.000 0.460 92 N N 3.339 121.909 118.700 -0.216 0.000 2.437 92 N HA 0.429 5.169 4.740 0.000 0.000 0.243 92 N C -0.395 174.930 175.510 -0.309 0.000 1.041 92 N CA 0.215 53.039 53.050 -0.376 0.000 0.940 92 N CB 0.855 38.867 38.487 -0.792 0.000 1.133 92 N HN 0.731 nan 8.380 nan 0.000 0.506 93 T N 2.388 116.796 114.554 -0.242 0.000 2.770 93 T HA 0.451 4.801 4.350 0.000 0.000 0.297 93 T C -0.199 174.416 174.700 -0.142 0.000 0.997 93 T CA -0.700 61.272 62.100 -0.214 0.000 0.949 93 T CB 0.669 69.412 68.868 -0.208 0.000 0.941 93 T HN 0.551 nan 8.240 nan 0.000 0.457 94 T N -0.360 114.123 114.554 -0.118 0.000 2.883 94 T HA 0.650 5.000 4.350 0.000 0.000 0.301 94 T C -0.435 174.224 174.700 -0.068 0.000 1.158 94 T CA -0.933 61.119 62.100 -0.081 0.000 1.007 94 T CB 1.594 70.428 68.868 -0.057 0.000 1.186 94 T HN 0.261 nan 8.240 nan 0.000 0.499 95 S N 0.957 116.624 115.700 -0.055 0.000 2.525 95 S HA 0.719 5.189 4.470 0.000 0.000 0.278 95 S C 0.297 174.850 174.600 -0.078 0.000 1.234 95 S CA -0.657 57.514 58.200 -0.049 0.000 1.058 95 S CB 0.895 64.074 63.200 -0.034 0.000 0.983 95 S HN 1.141 nan 8.310 nan 0.000 0.495 96 V N 0.471 120.317 119.914 -0.114 0.000 3.102 96 V HA 0.928 5.048 4.120 0.000 0.000 0.312 96 V C -0.977 174.937 176.094 -0.300 0.000 1.135 96 V CA -0.852 61.307 62.300 -0.234 0.000 1.022 96 V CB 1.793 33.395 31.823 -0.369 0.000 1.056 96 V HN 0.540 nan 8.190 nan 0.000 0.436 97 V N 1.209 120.875 119.914 -0.414 0.000 2.709 97 V HA 0.581 4.701 4.120 0.000 0.000 0.308 97 V C -1.064 174.720 176.094 -0.516 0.000 1.062 97 V CA -0.300 61.801 62.300 -0.333 0.000 0.901 97 V CB 1.751 33.495 31.823 -0.132 0.000 1.003 97 V HN 0.798 nan 8.190 nan 0.000 0.425 98 F N 1.059 121.004 119.950 -0.007 0.000 2.404 98 F HA 0.430 4.957 4.527 0.000 0.000 0.354 98 F C 1.149 176.926 175.800 -0.038 0.000 1.122 98 F CA -0.485 57.499 58.000 -0.026 0.000 1.080 98 F CB 1.519 40.476 39.000 -0.071 0.000 1.131 98 F HN 0.405 nan 8.300 nan 0.000 0.471 99 T N 5.600 120.222 114.554 0.113 0.000 2.871 99 T HA 0.067 4.417 4.350 0.000 0.000 0.296 99 T C -2.340 172.396 174.700 0.059 0.000 0.998 99 T CA -0.781 61.357 62.100 0.064 0.000 1.162 99 T CB 0.044 68.945 68.868 0.056 0.000 0.947 99 T HN 0.193 nan 8.240 nan 0.000 0.536 100 P HA -0.012 nan 4.420 nan 0.000 0.266 100 P C 0.487 177.794 177.300 0.013 0.000 1.195 100 P CA 0.094 63.200 63.100 0.011 0.000 0.768 100 P CB 0.171 31.873 31.700 0.002 0.000 0.838 101 N N 0.181 118.882 118.700 0.002 0.000 2.727 101 N HA -0.169 4.571 4.740 0.000 0.000 0.251 101 N C -0.996 174.528 175.510 0.022 0.000 1.040 101 N CA 0.542 53.596 53.050 0.006 0.000 0.712 101 N CB -0.852 37.638 38.487 0.006 0.000 0.912 101 N HN 0.683 nan 8.380 nan 0.000 0.545 102 T N -2.455 112.116 114.554 0.027 0.000 2.821 102 T HA 0.413 4.763 4.350 0.000 0.000 0.306 102 T C -1.578 173.145 174.700 0.038 0.000 1.313 102 T CA -0.909 61.221 62.100 0.050 0.000 1.012 102 T CB 2.176 71.089 68.868 0.075 0.000 1.298 102 T HN -0.018 nan 8.240 nan 0.000 0.502 103 D N 1.457 121.893 120.400 0.061 0.000 2.381 103 D HA 0.562 5.202 4.640 0.000 0.000 0.235 103 D C -0.646 175.659 176.300 0.008 0.000 1.068 103 D CA 0.013 54.008 54.000 -0.008 0.000 0.832 103 D CB 1.722 42.563 40.800 0.069 0.000 1.101 103 D HN 0.623 nan 8.370 nan 0.000 0.515 104 T N 2.466 116.981 114.554 -0.065 0.000 2.824 104 T HA 0.380 4.730 4.350 0.000 0.000 0.280 104 T C -0.520 174.136 174.700 -0.073 0.000 0.995 104 T CA -0.444 61.717 62.100 0.101 0.000 1.009 104 T CB 0.568 69.648 68.868 0.353 0.000 0.955 104 T HN 0.103 nan 8.240 nan 0.000 0.452 105 Y N 2.466 122.920 120.300 0.257 0.000 2.328 105 Y HA 0.472 5.022 4.550 0.000 0.000 0.337 105 Y C 0.024 176.103 175.900 0.299 0.000 0.966 105 Y CA -1.372 56.887 58.100 0.264 0.000 1.136 105 Y CB 0.905 39.595 38.460 0.382 0.000 1.170 105 Y HN 0.395 nan 8.280 nan 0.000 0.470 106 I N 5.362 126.121 120.570 0.314 0.000 2.330 106 I HA 0.245 4.415 4.170 0.000 0.000 0.286 106 I C -0.564 175.696 176.117 0.238 0.000 1.025 106 I CA -0.708 60.746 61.300 0.258 0.000 1.197 106 I CB 0.952 38.969 38.000 0.028 0.000 1.358 106 I HN 0.271 nan 8.210 nan 0.000 0.467 107 V N 7.563 127.650 119.914 0.288 0.000 2.347 107 V HA 0.290 4.410 4.120 0.000 0.000 0.280 107 V C 0.256 176.516 176.094 0.277 0.000 1.021 107 V CA -0.664 61.724 62.300 0.147 0.000 0.847 107 V CB 1.977 33.739 31.823 -0.102 0.000 0.990 107 V HN 0.385 nan 8.190 nan 0.000 0.444 108 V N 5.271 125.306 119.914 0.202 0.000 2.304 108 V HA 0.678 4.798 4.120 0.000 0.000 0.262 108 V C 0.575 176.761 176.094 0.154 0.000 1.061 108 V CA -0.258 62.189 62.300 0.246 0.000 0.872 108 V CB 0.794 32.738 31.823 0.202 0.000 1.077 108 V HN 0.921 nan 8.190 nan 0.000 0.480 109 A N 7.153 130.093 122.820 0.200 0.000 2.337 109 A HA 0.882 5.202 4.320 0.000 0.000 0.331 109 A C -2.357 175.278 177.584 0.084 0.000 1.137 109 A CA -2.014 50.050 52.037 0.046 0.000 0.807 109 A CB 1.310 20.255 19.000 -0.093 0.000 1.250 109 A HN 0.555 nan 8.150 nan 0.000 0.468 110 P HA 0.167 nan 4.420 nan 0.000 0.231 110 P C -0.812 176.506 177.300 0.030 0.000 1.756 110 P CA 0.272 63.121 63.100 -0.418 0.000 0.990 110 P CB -0.263 30.883 31.700 -0.924 0.000 1.973 111 V N 3.815 123.917 119.914 0.313 0.000 2.311 111 V HA 0.233 4.353 4.120 0.000 0.000 0.275 111 V C -2.060 174.290 176.094 0.427 0.000 1.022 111 V CA -2.288 60.253 62.300 0.403 0.000 0.830 111 V CB 1.228 33.356 31.823 0.509 0.000 1.012 111 V HN 0.135 nan 8.190 nan 0.000 0.452 112 P HA 0.142 nan 4.420 nan 0.000 0.261 112 P C 1.078 178.330 177.300 -0.079 0.000 1.173 112 P CA 1.567 64.632 63.100 -0.057 0.000 0.760 112 P CB 0.502 31.888 31.700 -0.523 0.000 0.783 113 G N 1.601 110.470 108.800 0.115 0.000 2.234 113 G HA2 -0.230 3.730 3.960 0.000 0.000 0.235 113 G HA3 -0.230 3.730 3.960 0.000 0.000 0.235 113 G C -0.165 174.785 174.900 0.084 0.000 0.997 113 G CA -0.553 44.645 45.100 0.162 0.000 0.623 113 G HN 0.422 nan 8.290 nan 0.000 0.514 114 F N 0.637 120.812 119.950 0.376 0.000 2.469 114 F HA 0.722 5.249 4.527 0.000 0.000 0.332 114 F C 1.286 177.291 175.800 0.342 0.000 1.103 114 F CA -0.098 58.046 58.000 0.241 0.000 0.979 114 F CB 1.963 40.959 39.000 -0.007 0.000 1.137 114 F HN 0.096 nan 8.300 nan 0.000 0.463 115 A N 3.481 126.425 122.820 0.207 0.000 1.898 115 A HA 0.170 4.490 4.320 0.000 0.000 0.214 115 A C -0.307 177.452 177.584 0.292 0.000 1.183 115 A CA 1.401 53.486 52.037 0.081 0.000 0.622 115 A CB -0.376 18.444 19.000 -0.299 0.000 0.824 115 A HN 0.831 nan 8.150 nan 0.000 0.444 116 Y N -5.644 114.654 120.300 -0.002 0.000 2.852 116 Y HA 0.630 5.180 4.550 0.000 0.000 0.350 116 Y C -1.564 174.202 175.900 -0.224 0.000 1.272 116 Y CA -2.534 55.594 58.100 0.047 0.000 1.086 116 Y CB 0.276 38.768 38.460 0.053 0.000 1.408 116 Y HN -0.090 nan 8.280 nan 0.000 0.447 117 F N 1.425 121.510 119.950 0.226 0.000 2.529 117 F HA 0.721 5.248 4.527 0.000 0.000 0.320 117 F C 0.026 176.049 175.800 0.372 0.000 1.118 117 F CA -0.744 57.350 58.000 0.157 0.000 0.915 117 F CB 2.316 41.381 39.000 0.109 0.000 1.161 117 F HN 0.518 nan 8.300 nan 0.000 0.445 118 R N 1.698 122.457 120.500 0.432 0.000 2.732 118 R HA 0.945 5.285 4.340 0.000 0.000 0.278 118 R C -1.503 175.018 176.300 0.369 0.000 0.976 118 R CA -0.892 55.477 56.100 0.449 0.000 0.963 118 R CB 1.848 32.368 30.300 0.367 0.000 1.150 118 R HN 0.824 nan 8.270 nan 0.000 0.478 119 A N 2.465 125.504 122.820 0.366 0.000 2.517 119 A HA 0.348 4.668 4.320 0.000 0.000 0.297 119 A C -1.593 176.143 177.584 0.254 0.000 1.050 119 A CA -0.652 51.490 52.037 0.174 0.000 0.694 119 A CB 1.794 20.722 19.000 -0.120 0.000 1.277 119 A HN 0.767 nan 8.150 nan 0.000 0.400 120 E N 1.068 121.359 120.200 0.152 0.000 2.212 120 E HA 0.750 5.100 4.350 0.000 0.000 0.268 120 E C -1.526 175.152 176.600 0.129 0.000 0.902 120 E CA -0.552 55.946 56.400 0.163 0.000 0.779 120 E CB 2.034 31.801 29.700 0.111 0.000 1.172 120 E HN 0.579 nan 8.360 nan 0.000 0.409 121 V N 1.814 121.823 119.914 0.159 0.000 3.216 121 V HA 0.596 4.716 4.120 0.000 0.000 0.302 121 V C -0.977 175.183 176.094 0.111 0.000 1.286 121 V CA -0.530 61.846 62.300 0.127 0.000 1.048 121 V CB 2.115 34.039 31.823 0.167 0.000 1.081 121 V HN 0.916 nan 8.190 nan 0.000 0.442 122 A N 1.822 124.691 122.820 0.081 0.000 2.498 122 A HA 0.462 4.782 4.320 0.000 0.000 0.239 122 A C 0.031 177.662 177.584 0.079 0.000 1.068 122 A CA 0.060 52.136 52.037 0.064 0.000 0.766 122 A CB 0.162 19.190 19.000 0.046 0.000 1.003 122 A HN 1.028 nan 8.150 nan 0.000 0.497 123 V N 2.868 122.818 119.914 0.060 0.000 2.506 123 V HA 0.326 4.446 4.120 0.000 0.000 0.296 123 V C 1.648 177.781 176.094 0.066 0.000 1.004 123 V CA 2.021 64.356 62.300 0.059 0.000 1.150 123 V CB -0.359 31.483 31.823 0.032 0.000 0.911 123 V HN 1.924 nan 8.190 nan 0.000 0.476 124 G N 3.603 112.459 108.800 0.094 0.000 2.232 124 G HA2 -0.102 3.858 3.960 0.000 0.000 0.226 124 G HA3 -0.102 3.858 3.960 0.000 0.000 0.226 124 G C 0.451 175.410 174.900 0.100 0.000 0.996 124 G CA 0.159 45.312 45.100 0.088 0.000 0.626 124 G HN 1.429 nan 8.290 nan 0.000 0.509 125 A N 0.007 122.892 122.820 0.108 0.000 2.296 125 A HA 0.683 5.003 4.320 0.000 0.000 0.264 125 A C 0.468 178.116 177.584 0.108 0.000 1.097 125 A CA 0.197 52.288 52.037 0.090 0.000 0.811 125 A CB 0.439 19.482 19.000 0.072 0.000 1.072 125 A HN 0.290 nan 8.150 nan 0.000 0.495 126 Q N 0.984 120.816 119.800 0.052 0.000 2.331 126 Q HA 0.359 4.699 4.340 0.000 0.000 0.257 126 Q C -2.290 173.676 176.000 -0.056 0.000 0.957 126 Q CA -1.795 54.015 55.803 0.012 0.000 0.923 126 Q CB 1.331 30.073 28.738 0.008 0.000 1.212 126 Q HN 0.541 nan 8.270 nan 0.000 0.443 127 P HA 0.185 nan 4.420 nan 0.000 0.272 127 P C -0.245 176.865 177.300 -0.316 0.000 1.223 127 P CA -0.066 62.852 63.100 -0.304 0.000 0.784 127 P CB 1.414 32.783 31.700 -0.552 0.000 0.923 128 T N -0.817 113.475 114.554 -0.437 0.000 3.280 128 T HA 0.097 4.447 4.350 0.000 0.000 0.256 128 T C 0.171 174.614 174.700 -0.428 0.000 0.995 128 T CA 0.692 62.613 62.100 -0.299 0.000 1.144 128 T CB -0.155 68.621 68.868 -0.154 0.000 1.140 128 T HN 0.404 nan 8.240 nan 0.000 0.423 129 T N 2.901 117.164 114.554 -0.485 0.000 2.779 129 T HA 0.651 5.001 4.350 0.000 0.000 0.280 129 T C -1.331 173.077 174.700 -0.487 0.000 0.987 129 T CA -0.365 61.531 62.100 -0.340 0.000 0.966 129 T CB 0.490 69.278 68.868 -0.133 0.000 0.933 129 T HN 0.059 nan 8.240 nan 0.000 0.442 130 F N 2.011 121.997 119.950 0.060 0.000 2.426 130 F HA 0.515 5.042 4.527 0.000 0.000 0.348 130 F C 0.109 176.032 175.800 0.204 0.000 1.124 130 F CA -1.189 56.896 58.000 0.142 0.000 1.008 130 F CB 0.981 40.077 39.000 0.160 0.000 1.139 130 F HN 0.174 nan 8.300 nan 0.000 0.452 131 V N 2.842 122.918 119.914 0.271 0.000 2.465 131 V HA 0.558 4.678 4.120 0.000 0.000 0.279 131 V C 0.732 176.814 176.094 -0.021 0.000 1.045 131 V CA -0.891 61.492 62.300 0.140 0.000 0.938 131 V CB 1.210 33.055 31.823 0.036 0.000 0.986 131 V HN 0.920 nan 8.190 nan 0.000 0.467 132 G N 3.334 111.976 108.800 -0.265 0.000 2.483 132 G HA2 0.437 4.397 3.960 0.000 0.000 0.248 132 G HA3 0.437 4.397 3.960 0.000 0.000 0.248 132 G C -0.609 174.051 174.900 -0.401 0.000 1.248 132 G CA -0.195 44.353 45.100 -0.920 0.000 0.838 132 G HN 0.608 nan 8.290 nan 0.000 0.566 133 V N 5.189 124.789 119.914 -0.524 0.000 2.349 133 V HA 0.340 4.460 4.120 0.000 0.000 0.284 133 V C -1.887 174.044 176.094 -0.271 0.000 1.014 133 V CA -1.435 60.590 62.300 -0.458 0.000 0.826 133 V CB 1.736 32.981 31.823 -0.962 0.000 1.009 133 V HN 0.697 nan 8.190 nan 0.000 0.431 134 P HA 0.286 nan 4.420 nan 0.000 0.278 134 P C -0.950 176.261 177.300 -0.148 0.000 1.258 134 P CA -0.459 62.420 63.100 -0.369 0.000 0.811 134 P CB 0.964 32.293 31.700 -0.618 0.000 1.063 135 Y N 1.017 121.237 120.300 -0.134 0.000 2.336 135 Y HA 0.116 4.666 4.550 0.000 0.000 0.331 135 Y C -0.829 175.053 175.900 -0.031 0.000 1.211 135 Y CA -1.315 56.759 58.100 -0.043 0.000 1.346 135 Y CB 0.009 38.472 38.460 0.006 0.000 1.271 135 Y HN 0.370 nan 8.280 nan 0.000 0.538 136 P HA -0.144 nan 4.420 nan 0.000 0.225 136 P C 1.042 178.393 177.300 0.086 0.000 1.148 136 P CA 1.619 64.757 63.100 0.063 0.000 0.779 136 P CB 0.001 31.720 31.700 0.031 0.000 0.780 137 T N -5.669 108.958 114.554 0.121 0.000 3.113 137 T HA -0.086 4.264 4.350 0.000 0.000 0.256 137 T C 1.590 176.308 174.700 0.030 0.000 1.131 137 T CA -0.018 62.108 62.100 0.045 0.000 1.074 137 T CB -1.188 67.675 68.868 -0.009 0.000 0.944 137 T HN 0.054 nan 8.240 nan 0.000 0.516 138 Y N 2.703 123.000 120.300 -0.004 0.000 2.030 138 Y HA -0.257 4.293 4.550 0.000 0.000 0.272 138 Y C 2.756 178.660 175.900 0.007 0.000 1.185 138 Y CA 1.992 60.118 58.100 0.043 0.000 1.120 138 Y CB -0.838 37.599 38.460 -0.038 0.000 0.955 138 Y HN 0.307 nan 8.280 nan 0.000 0.495 139 A N -0.651 122.355 122.820 0.310 0.000 1.892 139 A HA -0.269 4.051 4.320 0.000 0.000 0.218 139 A C 2.193 179.766 177.584 -0.018 0.000 1.188 139 A CA 2.584 54.727 52.037 0.176 0.000 0.631 139 A CB -1.500 17.564 19.000 0.107 0.000 0.822 139 A HN 0.578 nan 8.150 nan 0.000 0.447 140 T N 0.114 114.633 114.554 -0.059 0.000 2.737 140 T HA -0.176 4.174 4.350 0.000 0.000 0.269 140 T C 1.689 176.247 174.700 -0.237 0.000 1.040 140 T CA 1.952 63.983 62.100 -0.115 0.000 1.142 140 T CB -0.496 68.323 68.868 -0.082 0.000 0.861 140 T HN 0.729 nan 8.240 nan 0.000 0.456 141 N N -0.293 118.153 118.700 -0.422 0.000 2.278 141 N HA 0.120 4.861 4.740 0.000 0.000 0.181 141 N C 0.897 175.846 175.510 -0.934 0.000 1.023 141 N CA 0.740 53.343 53.050 -0.746 0.000 0.862 141 N CB 0.070 37.750 38.487 -1.344 0.000 1.003 141 N HN 0.347 nan 8.380 nan 0.000 0.431 142 F N 0.071 119.851 119.950 -0.284 0.000 2.661 142 F HA 0.448 4.975 4.527 0.000 0.000 0.306 142 F C 0.979 176.666 175.800 -0.188 0.000 1.094 142 F CA -0.295 57.502 58.000 -0.339 0.000 1.254 142 F CB 0.766 39.393 39.000 -0.621 0.000 1.040 142 F HN -0.062 nan 8.300 nan 0.000 0.562 143 G N 0.902 109.687 108.800 -0.025 0.000 2.662 143 G HA2 0.304 4.264 3.960 0.000 0.000 0.686 143 G HA3 0.304 4.264 3.960 0.000 0.000 0.686 143 G C -1.064 173.911 174.900 0.125 0.000 1.271 143 G CA -0.773 44.341 45.100 0.024 0.000 0.816 143 G HN 0.573 nan 8.290 nan 0.000 0.608 144 A N -0.451 122.409 122.820 0.068 0.000 2.387 144 A HA 1.284 5.604 4.320 0.000 0.000 0.298 144 A C 1.280 178.889 177.584 0.043 0.000 1.165 144 A CA 1.092 53.169 52.037 0.066 0.000 0.814 144 A CB 1.111 20.132 19.000 0.036 0.000 1.357 144 A HN 3.145 nan 8.150 nan 0.000 0.443 145 G N -0.683 108.134 108.800 0.027 0.000 2.741 145 G HA2 0.031 3.991 3.960 0.000 0.000 0.222 145 G HA3 0.031 3.991 3.960 0.000 0.000 0.222 145 G C 0.907 175.821 174.900 0.022 0.000 1.364 145 G CA 0.689 45.799 45.100 0.017 0.000 0.866 145 G HN 2.149 nan 8.290 nan 0.000 0.555 146 S N -1.348 114.362 115.700 0.016 0.000 2.419 146 S HA -0.128 4.342 4.470 0.000 0.000 0.235 146 S C 1.802 176.421 174.600 0.030 0.000 1.019 146 S CA 2.105 60.316 58.200 0.019 0.000 0.982 146 S CB -0.066 63.142 63.200 0.013 0.000 0.789 146 S HN 0.665 nan 8.310 nan 0.000 0.490 147 Q N 2.246 122.065 119.800 0.032 0.000 2.451 147 Q HA 0.175 4.515 4.340 0.000 0.000 0.206 147 Q C 0.023 176.058 176.000 0.059 0.000 0.947 147 Q CA 0.068 55.895 55.803 0.038 0.000 0.937 147 Q CB -1.021 27.733 28.738 0.026 0.000 1.025 147 Q HN 0.969 nan 8.270 nan 0.000 0.511 148 N N -0.155 118.594 118.700 0.082 0.000 2.131 148 N HA 0.031 4.771 4.740 0.000 0.000 0.276 148 N C 0.988 176.605 175.510 0.180 0.000 1.295 148 N CA 1.326 54.469 53.050 0.156 0.000 0.818 148 N CB 0.227 38.828 38.487 0.191 0.000 1.049 148 N HN 0.148 nan 8.380 nan 0.000 0.484 149 G N 1.035 109.940 108.800 0.176 0.000 2.268 149 G HA2 -0.272 3.688 3.960 0.000 0.000 0.240 149 G HA3 -0.272 3.688 3.960 0.000 0.000 0.240 149 G C 0.045 174.960 174.900 0.025 0.000 1.010 149 G CA 0.306 45.470 45.100 0.107 0.000 0.618 149 G HN 0.590 nan 8.290 nan 0.000 0.516 150 L N 1.018 122.265 121.223 0.040 0.000 2.456 150 L HA 0.342 4.682 4.340 0.000 0.000 0.257 150 L C -0.562 176.316 176.870 0.014 0.000 1.162 150 L CA -1.747 53.116 54.840 0.038 0.000 0.808 150 L CB 0.670 42.760 42.059 0.052 0.000 1.136 150 L HN -0.132 nan 8.230 nan 0.000 0.466 151 P HA -0.262 nan 4.420 nan 0.000 0.218 151 P C 1.162 178.524 177.300 0.102 0.000 1.152 151 P CA 1.750 64.924 63.100 0.124 0.000 0.857 151 P CB 0.127 31.916 31.700 0.148 0.000 0.787 152 A N -0.786 122.066 122.820 0.054 0.000 1.930 152 A HA -0.119 4.201 4.320 0.000 0.000 0.217 152 A C 2.043 179.605 177.584 -0.037 0.000 1.175 152 A CA 2.252 54.308 52.037 0.032 0.000 0.627 152 A CB -1.326 17.689 19.000 0.026 0.000 0.815 152 A HN 0.246 nan 8.150 nan 0.000 0.443 153 V N -3.455 116.415 119.914 -0.073 0.000 3.605 153 V HA 0.223 4.343 4.120 0.000 0.000 0.284 153 V C 0.422 176.376 176.094 -0.233 0.000 1.386 153 V CA -0.025 62.200 62.300 -0.125 0.000 1.053 153 V CB -0.901 30.891 31.823 -0.052 0.000 0.857 153 V HN 0.373 nan 8.190 nan 0.000 0.436 154 N N 2.533 121.062 118.700 -0.285 0.000 2.508 154 N HA 0.144 4.884 4.740 0.000 0.000 0.264 154 N C 0.367 175.388 175.510 -0.816 0.000 1.216 154 N CA 0.270 53.093 53.050 -0.379 0.000 0.943 154 N CB 0.857 39.147 38.487 -0.329 0.000 1.113 154 N HN 0.310 nan 8.380 nan 0.000 0.447 155 N N 1.369 119.643 118.700 -0.711 0.000 2.236 155 N HA 0.085 4.825 4.740 0.000 0.000 0.196 155 N C -1.026 173.955 175.510 -0.881 0.000 1.114 155 N CA 0.232 52.689 53.050 -0.988 0.000 0.859 155 N CB 0.302 38.252 38.487 -0.896 0.000 0.982 155 N HN 0.479 nan 8.380 nan 0.000 0.493 156 Y N -1.183 119.117 120.300 0.001 0.000 2.581 156 Y HA 0.303 4.853 4.550 0.000 0.000 0.345 156 Y C 1.041 177.364 175.900 0.705 0.000 1.036 156 Y CA -1.045 57.340 58.100 0.475 0.000 1.042 156 Y CB 1.479 40.270 38.460 0.551 0.000 1.289 156 Y HN -0.120 nan 8.280 nan 0.000 0.471 157 S N -0.700 115.520 115.700 0.867 0.000 2.666 157 S HA 0.439 4.909 4.470 0.000 0.000 0.239 157 S C -0.141 174.848 174.600 0.648 0.000 1.031 157 S CA -0.213 58.400 58.200 0.689 0.000 1.015 157 S CB 0.482 63.853 63.200 0.285 0.000 0.981 157 S HN 0.617 nan 8.310 nan 0.000 0.547 158 K N 0.149 120.939 120.400 0.650 0.000 2.610 158 K HA 0.503 4.823 4.320 0.000 0.000 0.278 158 K C -2.169 174.737 176.600 0.509 0.000 0.964 158 K CA -0.706 55.794 56.287 0.354 0.000 0.859 158 K CB 1.904 34.460 32.500 0.092 0.000 1.434 158 K HN 0.301 nan 8.250 nan 0.000 0.410 159 F N 0.068 120.149 119.950 0.218 0.000 2.686 159 F HA 0.703 5.230 4.527 0.000 0.000 0.311 159 F C -1.507 174.291 175.800 -0.004 0.000 1.128 159 F CA -0.978 57.106 58.000 0.140 0.000 0.946 159 F CB 1.491 40.407 39.000 -0.140 0.000 1.336 159 F HN 0.468 nan 8.300 nan 0.000 0.457 160 R N 1.704 122.071 120.500 -0.221 0.000 2.594 160 R HA 0.380 4.720 4.340 0.000 0.000 0.265 160 R C -2.569 173.678 176.300 -0.088 0.000 1.070 160 R CA -0.780 55.113 56.100 -0.345 0.000 0.909 160 R CB 1.309 31.057 30.300 -0.919 0.000 1.243 160 R HN 0.926 nan 8.270 nan 0.000 0.455 161 Y N 1.410 121.709 120.300 -0.002 0.000 2.336 161 Y HA 0.380 4.930 4.550 0.000 0.000 0.335 161 Y C 1.199 177.178 175.900 0.131 0.000 1.046 161 Y CA 0.381 58.533 58.100 0.086 0.000 1.198 161 Y CB 2.061 40.605 38.460 0.139 0.000 1.182 161 Y HN 0.887 nan 8.280 nan 0.000 0.502 162 A N 2.464 125.381 122.820 0.161 0.000 2.044 162 A HA 0.211 4.531 4.320 0.000 0.000 0.213 162 A C 0.658 178.353 177.584 0.186 0.000 1.169 162 A CA 0.934 53.038 52.037 0.112 0.000 0.724 162 A CB 0.067 19.055 19.000 -0.021 0.000 0.840 162 A HN 0.569 nan 8.150 nan 0.000 0.463 163 S N -1.750 114.080 115.700 0.216 0.000 2.578 163 S HA 0.643 5.113 4.470 0.000 0.000 0.272 163 S C -1.072 173.709 174.600 0.302 0.000 1.145 163 S CA -0.303 58.014 58.200 0.195 0.000 0.835 163 S CB 0.963 64.189 63.200 0.043 0.000 1.104 163 S HN 0.735 nan 8.310 nan 0.000 0.458 164 M N 2.149 121.916 119.600 0.277 0.000 2.346 164 M HA 0.667 5.147 4.480 0.000 0.000 0.287 164 M C -1.960 174.504 176.300 0.274 0.000 1.100 164 M CA -0.109 55.386 55.300 0.326 0.000 0.950 164 M CB 1.620 34.400 32.600 0.300 0.000 1.815 164 M HN 1.505 nan 8.290 nan 0.000 0.497 165 A N 2.588 125.619 122.820 0.351 0.000 2.609 165 A HA 0.916 5.236 4.320 0.000 0.000 0.291 165 A C -2.014 175.850 177.584 0.467 0.000 1.096 165 A CA -0.664 51.542 52.037 0.282 0.000 0.684 165 A CB 1.717 20.808 19.000 0.152 0.000 1.282 165 A HN 1.084 nan 8.150 nan 0.000 0.412 166 C N -0.112 119.369 119.300 0.303 0.000 2.888 166 C HA 0.924 5.384 4.460 0.000 0.000 0.308 166 C C 0.070 175.241 174.990 0.302 0.000 1.213 166 C CA 0.560 59.748 59.018 0.282 0.000 1.461 166 C CB 0.940 28.664 27.740 -0.026 0.000 1.934 166 C HN 1.827 nan 8.230 nan 0.000 0.474 167 G N 3.802 112.787 108.800 0.309 0.000 2.687 167 G HA2 0.610 4.570 3.960 0.000 0.000 0.301 167 G HA3 0.610 4.570 3.960 0.000 0.000 0.301 167 G C -1.985 172.728 174.900 -0.312 0.000 1.416 167 G CA -0.386 44.821 45.100 0.178 0.000 1.005 167 G HN 0.916 nan 8.290 nan 0.000 0.509 168 L N 2.163 123.053 121.223 -0.554 0.000 2.294 168 L HA 0.641 4.981 4.340 0.000 0.000 0.283 168 L C -1.425 175.036 176.870 -0.682 0.000 1.015 168 L CA -1.081 53.487 54.840 -0.452 0.000 0.831 168 L CB 0.623 42.537 42.059 -0.242 0.000 1.217 168 L HN 0.501 nan 8.230 nan 0.000 0.420 169 Y N 6.175 126.440 120.300 -0.058 0.000 2.593 169 Y HA 0.475 5.025 4.550 0.000 0.000 0.331 169 Y C -2.076 173.765 175.900 -0.098 0.000 0.986 169 Y CA -2.876 55.179 58.100 -0.075 0.000 1.262 169 Y CB 0.381 38.817 38.460 -0.040 0.000 1.098 169 Y HN 0.547 nan 8.280 nan 0.000 0.506 170 P HA -0.026 nan 4.420 nan 0.000 0.265 170 P C 0.642 177.943 177.300 0.002 0.000 1.187 170 P CA 0.444 63.437 63.100 -0.179 0.000 0.766 170 P CB 0.713 32.112 31.700 -0.501 0.000 0.820 171 T N -2.388 112.226 114.554 0.101 0.000 3.170 171 T HA 0.234 4.584 4.350 0.000 0.000 0.288 171 T C 0.407 175.178 174.700 0.119 0.000 0.992 171 T CA -0.271 61.885 62.100 0.093 0.000 0.909 171 T CB -0.256 68.665 68.868 0.088 0.000 1.133 171 T HN 0.178 nan 8.240 nan 0.000 0.530 172 S N 3.297 119.100 115.700 0.171 0.000 2.652 172 S HA 0.441 4.911 4.470 0.000 0.000 0.270 172 S C 0.468 175.165 174.600 0.161 0.000 1.243 172 S CA -1.009 57.312 58.200 0.203 0.000 0.999 172 S CB 0.669 64.074 63.200 0.341 0.000 0.973 172 S HN 0.725 nan 8.310 nan 0.000 0.544 173 N N -0.145 118.664 118.700 0.183 0.000 2.413 173 N HA 0.154 4.894 4.740 0.000 0.000 0.266 173 N C 0.081 175.763 175.510 0.286 0.000 1.238 173 N CA -0.589 52.560 53.050 0.165 0.000 0.972 173 N CB 0.269 38.830 38.487 0.124 0.000 1.210 173 N HN 0.300 nan 8.380 nan 0.000 0.547 174 M N -0.166 119.583 119.600 0.249 0.000 2.686 174 M HA 0.064 4.544 4.480 0.000 0.000 0.246 174 M C 1.732 178.229 176.300 0.329 0.000 1.096 174 M CA 1.069 56.593 55.300 0.373 0.000 1.076 174 M CB -0.251 32.485 32.600 0.227 0.000 1.504 174 M HN 0.650 nan 8.290 nan 0.000 0.524 175 M N -0.600 119.124 119.600 0.206 0.000 2.638 175 M HA -0.018 4.462 4.480 0.000 0.000 0.256 175 M C 1.659 177.971 176.300 0.020 0.000 1.282 175 M CA 0.739 56.081 55.300 0.069 0.000 1.155 175 M CB 0.089 32.719 32.600 0.051 0.000 1.345 175 M HN 0.377 nan 8.290 nan 0.000 0.523 176 Q N 0.719 120.583 119.800 0.106 0.000 2.297 176 Q HA 0.007 4.347 4.340 0.000 0.000 0.204 176 Q C 0.799 176.843 176.000 0.073 0.000 0.962 176 Q CA 0.629 56.479 55.803 0.078 0.000 0.879 176 Q CB -0.704 28.099 28.738 0.108 0.000 0.947 176 Q HN 0.548 nan 8.270 nan 0.000 0.462 177 F N 0.073 120.052 119.950 0.048 0.000 2.291 177 F HA 0.710 5.237 4.527 0.000 0.000 0.305 177 F C -0.162 175.640 175.800 0.002 0.000 1.171 177 F CA -0.744 57.269 58.000 0.021 0.000 1.090 177 F CB 1.325 40.410 39.000 0.142 0.000 1.436 177 F HN -0.062 nan 8.300 nan 0.000 0.509 178 S N -0.288 115.183 115.700 -0.381 0.000 2.678 178 S HA 0.542 5.012 4.470 0.000 0.000 0.290 178 S C -0.680 173.900 174.600 -0.034 0.000 1.047 178 S CA 0.003 57.941 58.200 -0.438 0.000 0.851 178 S CB 0.483 63.477 63.200 -0.343 0.000 1.058 178 S HN 2.335 nan 8.310 nan 0.000 0.451 179 G N 1.971 110.811 108.800 0.066 0.000 2.318 179 G HA2 0.400 4.360 3.960 0.000 0.000 0.367 179 G HA3 0.400 4.360 3.960 0.000 0.000 0.367 179 G C -0.579 174.445 174.900 0.206 0.000 1.260 179 G CA 0.395 45.543 45.100 0.080 0.000 1.055 179 G HN 2.109 nan 8.290 nan 0.000 0.484 180 S N -1.914 113.873 115.700 0.145 0.000 2.661 180 S HA 0.882 5.352 4.470 0.000 0.000 0.285 180 S C -0.838 173.852 174.600 0.150 0.000 1.138 180 S CA -0.129 58.165 58.200 0.156 0.000 0.855 180 S CB 2.037 65.281 63.200 0.073 0.000 1.136 180 S HN 1.934 nan 8.310 nan 0.000 0.484 181 V N 0.445 120.437 119.914 0.131 0.000 2.709 181 V HA 0.675 4.795 4.120 0.000 0.000 0.308 181 V C -0.827 175.345 176.094 0.129 0.000 1.062 181 V CA -0.596 61.776 62.300 0.119 0.000 0.901 181 V CB 1.302 33.204 31.823 0.132 0.000 1.003 181 V HN 0.974 nan 8.190 nan 0.000 0.425 182 Q N 1.852 121.724 119.800 0.120 0.000 2.315 182 Q HA 0.806 5.146 4.340 0.000 0.000 0.273 182 Q C -1.740 174.314 176.000 0.091 0.000 1.053 182 Q CA -0.641 55.273 55.803 0.186 0.000 0.817 182 Q CB 3.201 32.103 28.738 0.273 0.000 1.326 182 Q HN 0.653 nan 8.270 nan 0.000 0.423 183 V N 1.554 121.551 119.914 0.138 0.000 2.876 183 V HA 0.784 4.904 4.120 0.000 0.000 0.312 183 V C -1.248 174.938 176.094 0.153 0.000 1.085 183 V CA -0.773 61.406 62.300 -0.202 0.000 0.945 183 V CB 1.470 32.971 31.823 -0.537 0.000 1.017 183 V HN 0.929 nan 8.190 nan 0.000 0.428 184 W N 2.339 123.521 121.300 -0.197 0.000 3.057 184 W HA 0.808 5.468 4.660 0.000 0.000 0.328 184 W C -1.560 174.874 176.519 -0.141 0.000 1.232 184 W CA -1.114 56.155 57.345 -0.126 0.000 1.187 184 W CB 1.095 30.517 29.460 -0.064 0.000 1.417 184 W HN 0.447 nan 8.180 nan 0.000 0.569 185 R N 1.597 122.174 120.500 0.128 0.000 2.664 185 R HA 0.773 5.113 4.340 0.000 0.000 0.286 185 R C -0.717 175.621 176.300 0.063 0.000 0.967 185 R CA -1.222 54.854 56.100 -0.040 0.000 0.933 185 R CB 2.256 32.461 30.300 -0.158 0.000 1.146 185 R HN 0.613 nan 8.270 nan 0.000 0.468 186 V N -1.810 118.085 119.914 -0.032 0.000 2.823 186 V HA 0.421 4.541 4.120 0.000 0.000 0.312 186 V C -0.784 175.264 176.094 -0.076 0.000 1.072 186 V CA -1.106 61.194 62.300 0.001 0.000 0.937 186 V CB 2.352 34.184 31.823 0.014 0.000 1.013 186 V HN 0.604 nan 8.190 nan 0.000 0.430 187 D N 4.070 124.435 120.400 -0.058 0.000 2.494 187 D HA 0.371 5.011 4.640 0.000 0.000 0.217 187 D C -0.403 175.848 176.300 -0.082 0.000 1.153 187 D CA 0.017 53.969 54.000 -0.080 0.000 0.954 187 D CB 1.207 41.975 40.800 -0.053 0.000 1.034 187 D HN 0.330 nan 8.370 nan 0.000 0.518 188 L N 2.998 124.156 121.223 -0.109 0.000 2.319 188 L HA 0.218 4.558 4.340 0.000 0.000 0.280 188 L C 0.400 177.198 176.870 -0.120 0.000 1.099 188 L CA 0.133 54.902 54.840 -0.117 0.000 0.828 188 L CB 0.281 42.253 42.059 -0.146 0.000 1.150 188 L HN 0.127 nan 8.230 nan 0.000 0.442 189 N N 2.978 121.609 118.700 -0.115 0.000 2.235 189 N HA 0.379 5.119 4.740 0.000 0.000 0.293 189 N C -1.000 174.423 175.510 -0.145 0.000 1.083 189 N CA -0.687 52.292 53.050 -0.119 0.000 0.801 189 N CB 2.419 40.855 38.487 -0.084 0.000 1.559 189 N HN 0.191 nan 8.380 nan 0.000 0.472 190 L N 0.987 122.101 121.223 -0.181 0.000 2.472 190 L HA 0.401 4.741 4.340 0.000 0.000 0.260 190 L C 1.037 177.835 176.870 -0.120 0.000 1.209 190 L CA 0.453 55.163 54.840 -0.216 0.000 0.817 190 L CB 0.570 42.468 42.059 -0.269 0.000 1.106 190 L HN 0.832 nan 8.230 nan 0.000 0.479 191 S N 0.114 115.758 115.700 -0.094 0.000 2.688 191 S HA 0.768 5.238 4.470 0.000 0.000 0.275 191 S C -1.012 173.575 174.600 -0.023 0.000 1.175 191 S CA -0.890 57.282 58.200 -0.047 0.000 0.818 191 S CB 1.845 65.023 63.200 -0.036 0.000 1.157 191 S HN 0.545 nan 8.310 nan 0.000 0.482 192 E N -0.652 119.546 120.200 -0.003 0.000 2.416 192 E HA 0.764 5.114 4.350 0.000 0.000 0.273 192 E C -1.273 175.340 176.600 0.022 0.000 0.935 192 E CA -1.317 55.093 56.400 0.017 0.000 0.784 192 E CB 2.345 32.060 29.700 0.024 0.000 1.301 192 E HN 0.970 nan 8.360 nan 0.000 0.454 193 A N 1.013 123.855 122.820 0.036 0.000 2.455 193 A HA 0.570 4.890 4.320 0.000 0.000 0.300 193 A C -1.274 176.340 177.584 0.050 0.000 1.040 193 A CA -0.593 51.466 52.037 0.036 0.000 0.697 193 A CB 1.362 20.384 19.000 0.037 0.000 1.265 193 A HN 0.271 nan 8.150 nan 0.000 0.407 194 V N 3.775 123.715 119.914 0.043 0.000 2.370 194 V HA 0.446 4.566 4.120 0.000 0.000 0.279 194 V C -0.322 175.808 176.094 0.060 0.000 1.029 194 V CA -0.592 61.739 62.300 0.052 0.000 0.870 194 V CB 0.985 32.824 31.823 0.027 0.000 0.984 194 V HN 0.878 nan 8.190 nan 0.000 0.451 195 N N 4.733 123.491 118.700 0.096 0.000 2.357 195 N HA 0.567 5.307 4.740 0.000 0.000 0.284 195 N C -3.059 172.550 175.510 0.163 0.000 1.236 195 N CA -1.338 51.773 53.050 0.101 0.000 0.774 195 N CB 3.038 41.580 38.487 0.092 0.000 1.534 195 N HN 0.256 nan 8.380 nan 0.000 0.478 196 P HA 0.438 nan 4.420 nan 0.000 0.277 196 P C -1.313 176.198 177.300 0.352 0.000 1.240 196 P CA -0.322 62.931 63.100 0.255 0.000 0.798 196 P CB 0.844 32.625 31.700 0.134 0.000 0.979 197 A N 1.703 124.810 122.820 0.478 0.000 2.556 197 A HA 0.544 4.864 4.320 0.000 0.000 0.294 197 A C -0.963 176.738 177.584 0.196 0.000 1.091 197 A CA -0.729 51.487 52.037 0.298 0.000 0.704 197 A CB 1.015 20.047 19.000 0.053 0.000 1.300 197 A HN 0.274 nan 8.150 nan 0.000 0.406 198 V N 1.624 121.487 119.914 -0.084 0.000 2.521 198 V HA 0.198 4.318 4.120 0.000 0.000 0.286 198 V C 1.207 177.173 176.094 -0.214 0.000 1.034 198 V CA 0.885 62.943 62.300 -0.404 0.000 1.045 198 V CB 0.797 32.385 31.823 -0.391 0.000 0.974 198 V HN 1.054 nan 8.190 nan 0.000 0.480 199 T N 3.363 117.802 114.554 -0.190 0.000 3.010 199 T HA 0.383 4.733 4.350 0.000 0.000 0.252 199 T C 0.457 175.110 174.700 -0.079 0.000 1.047 199 T CA 0.980 63.053 62.100 -0.045 0.000 1.140 199 T CB 0.347 69.241 68.868 0.044 0.000 0.885 199 T HN 0.858 nan 8.240 nan 0.000 0.464 200 A N 0.719 123.456 122.820 -0.139 0.000 2.547 200 A HA 0.619 4.939 4.320 0.000 0.000 0.297 200 A C 0.422 177.921 177.584 -0.142 0.000 1.056 200 A CA -0.715 51.260 52.037 -0.103 0.000 0.688 200 A CB 0.716 19.680 19.000 -0.060 0.000 1.282 200 A HN 0.384 nan 8.150 nan 0.000 0.400 201 I N -1.328 119.182 120.570 -0.099 0.000 3.684 201 I HA 0.236 4.406 4.170 0.000 0.000 0.304 201 I C 0.026 176.112 176.117 -0.053 0.000 1.278 201 I CA 0.587 61.834 61.300 -0.088 0.000 1.272 201 I CB -0.087 37.877 38.000 -0.061 0.000 1.029 201 I HN 0.300 nan 8.210 nan 0.000 0.458 202 T N 3.862 118.389 114.554 -0.044 0.000 2.881 202 T HA 0.513 4.863 4.350 0.000 0.000 0.290 202 T C -2.558 172.135 174.700 -0.013 0.000 1.000 202 T CA -0.839 61.249 62.100 -0.020 0.000 0.978 202 T CB 2.288 71.148 68.868 -0.014 0.000 0.997 202 T HN 0.127 nan 8.240 nan 0.000 0.443 203 P HA 0.576 nan 4.420 nan 0.000 0.292 203 P C -0.569 176.744 177.300 0.022 0.000 1.283 203 P CA -0.627 62.480 63.100 0.012 0.000 0.835 203 P CB 0.726 32.438 31.700 0.018 0.000 1.017 204 A N 4.617 127.451 122.820 0.023 0.000 2.586 204 A HA 0.130 4.450 4.320 0.000 0.000 0.231 204 A C -0.918 176.706 177.584 0.067 0.000 1.055 204 A CA -0.455 51.606 52.037 0.041 0.000 0.756 204 A CB -1.195 17.826 19.000 0.034 0.000 0.988 204 A HN 0.552 nan 8.150 nan 0.000 0.509 205 P HA 0.265 nan 4.420 nan 0.000 0.256 205 P C 0.566 177.958 177.300 0.154 0.000 1.335 205 P CA 1.067 64.252 63.100 0.143 0.000 0.808 205 P CB -0.626 31.185 31.700 0.184 0.000 1.305 206 G N -1.110 107.729 108.800 0.065 0.000 2.603 206 G HA2 -0.072 3.888 3.960 0.000 0.000 0.686 206 G HA3 -0.072 3.888 3.960 0.000 0.000 0.686 206 G C -1.247 173.576 174.900 -0.128 0.000 1.286 206 G CA -0.727 44.310 45.100 -0.105 0.000 0.871 206 G HN 0.056 nan 8.290 nan 0.000 0.568 207 V N 0.660 120.412 119.914 -0.270 0.000 2.472 207 V HA 0.807 4.927 4.120 0.000 0.000 0.290 207 V C -0.030 175.848 176.094 -0.359 0.000 1.037 207 V CA -0.357 61.863 62.300 -0.133 0.000 0.908 207 V CB 1.229 33.024 31.823 -0.046 0.000 0.985 207 V HN 0.644 nan 8.190 nan 0.000 0.454 208 F N 1.746 121.736 119.950 0.067 0.000 2.618 208 F HA 0.926 5.453 4.527 0.000 0.000 0.332 208 F C 0.361 176.223 175.800 0.103 0.000 1.061 208 F CA -0.625 57.434 58.000 0.098 0.000 0.974 208 F CB 2.036 41.083 39.000 0.078 0.000 1.310 208 F HN 0.629 nan 8.300 nan 0.000 0.491 209 A N 0.713 123.750 122.820 0.362 0.000 2.612 209 A HA 0.538 4.859 4.320 0.000 0.000 0.293 209 A C -1.727 175.946 177.584 0.147 0.000 1.075 209 A CA -0.972 51.159 52.037 0.157 0.000 0.680 209 A CB 1.430 20.461 19.000 0.052 0.000 1.279 209 A HN 0.697 nan 8.150 nan 0.000 0.411 210 N N 0.651 119.305 118.700 -0.076 0.000 2.422 210 N HA 0.591 5.331 4.740 0.000 0.000 0.266 210 N C -1.543 173.823 175.510 -0.240 0.000 1.007 210 N CA 0.361 53.394 53.050 -0.028 0.000 0.941 210 N CB 0.878 39.349 38.487 -0.026 0.000 1.115 210 N HN 0.454 nan 8.380 nan 0.000 0.492 211 F N 0.194 120.179 119.950 0.058 0.000 2.594 211 F HA 0.406 4.933 4.527 0.000 0.000 0.335 211 F C 0.564 176.391 175.800 0.046 0.000 1.058 211 F CA -1.079 56.951 58.000 0.050 0.000 0.981 211 F CB 1.127 40.159 39.000 0.053 0.000 1.289 211 F HN 0.061 nan 8.300 nan 0.000 0.490 212 V N 0.637 120.692 119.914 0.235 0.000 2.532 212 V HA 0.703 4.823 4.120 0.000 0.000 0.295 212 V C -1.163 175.018 176.094 0.144 0.000 1.041 212 V CA -0.360 62.027 62.300 0.145 0.000 0.926 212 V CB 1.328 33.210 31.823 0.097 0.000 0.992 212 V HN 0.812 nan 8.190 nan 0.000 0.457 213 D N 3.124 123.590 120.400 0.109 0.000 2.419 213 D HA 0.551 5.191 4.640 0.000 0.000 0.234 213 D C -0.752 175.597 176.300 0.080 0.000 1.014 213 D CA -0.804 53.255 54.000 0.097 0.000 0.919 213 D CB 1.854 42.708 40.800 0.089 0.000 1.366 213 D HN 0.634 nan 8.370 nan 0.000 0.490 214 K N 0.466 120.919 120.400 0.088 0.000 2.110 214 K HA 0.562 4.882 4.320 0.000 0.000 0.263 214 K C -0.259 176.383 176.600 0.070 0.000 0.975 214 K CA -0.624 55.707 56.287 0.073 0.000 0.895 214 K CB 0.812 33.372 32.500 0.101 0.000 1.060 214 K HN 0.411 nan 8.250 nan 0.000 0.448 215 R N 2.198 122.714 120.500 0.026 0.000 2.962 215 R HA 0.569 4.909 4.340 0.000 0.000 0.256 215 R C -1.070 175.207 176.300 -0.038 0.000 1.199 215 R CA -1.011 55.103 56.100 0.024 0.000 1.012 215 R CB 0.895 31.206 30.300 0.019 0.000 1.289 215 R HN 0.651 nan 8.270 nan 0.000 0.462 216 I N 0.624 121.176 120.570 -0.029 0.000 2.610 216 I HA 0.308 4.478 4.170 0.000 0.000 0.289 216 I C -1.302 174.786 176.117 -0.048 0.000 1.163 216 I CA -0.484 60.769 61.300 -0.077 0.000 1.044 216 I CB 2.056 40.008 38.000 -0.080 0.000 1.251 216 I HN 0.466 nan 8.210 nan 0.000 0.424 217 N N 4.935 123.599 118.700 -0.061 0.000 2.456 217 N HA 0.588 5.328 4.740 0.000 0.000 0.296 217 N C 0.443 175.924 175.510 -0.048 0.000 1.102 217 N CA 0.349 53.374 53.050 -0.041 0.000 0.924 217 N CB 1.902 40.367 38.487 -0.036 0.000 1.186 217 N HN 0.967 nan 8.380 nan 0.000 0.492 218 G N 0.460 109.242 108.800 -0.030 0.000 2.307 218 G HA2 -0.237 3.723 3.960 0.000 0.000 0.210 218 G HA3 -0.237 3.723 3.960 0.000 0.000 0.210 218 G C 0.906 175.793 174.900 -0.023 0.000 1.005 218 G CA -0.262 44.820 45.100 -0.029 0.000 0.634 218 G HN 0.460 nan 8.290 nan 0.000 0.496 219 L N 0.508 121.713 121.223 -0.031 0.000 2.081 219 L HA -0.054 4.286 4.340 0.000 0.000 0.212 219 L C 2.859 179.748 176.870 0.031 0.000 1.080 219 L CA 1.873 56.697 54.840 -0.026 0.000 0.754 219 L CB -0.389 41.677 42.059 0.012 0.000 0.893 219 L HN 0.316 nan 8.230 nan 0.000 0.433 220 R N 0.413 120.937 120.500 0.039 0.000 2.211 220 R HA -0.165 4.175 4.340 0.000 0.000 0.240 220 R C 1.991 178.333 176.300 0.069 0.000 1.144 220 R CA 1.241 57.371 56.100 0.051 0.000 0.992 220 R CB -0.367 29.953 30.300 0.033 0.000 0.869 220 R HN 0.460 nan 8.270 nan 0.000 0.462 221 G N 0.185 109.033 108.800 0.080 0.000 2.679 221 G HA2 -0.025 3.935 3.960 0.000 0.000 0.212 221 G HA3 -0.025 3.935 3.960 0.000 0.000 0.212 221 G C 0.673 175.745 174.900 0.286 0.000 1.137 221 G CA -0.116 45.067 45.100 0.138 0.000 0.787 221 G HN 0.182 nan 8.290 nan 0.000 0.534 222 I N 2.051 122.745 120.570 0.208 0.000 2.269 222 I HA 0.351 4.521 4.170 0.000 0.000 0.293 222 I C 0.400 176.633 176.117 0.192 0.000 1.106 222 I CA -0.370 61.077 61.300 0.245 0.000 1.248 222 I CB 0.223 38.205 38.000 -0.031 0.000 1.444 222 I HN 0.195 nan 8.210 nan 0.000 0.497 223 R N 6.058 126.779 120.500 0.367 0.000 2.795 223 R HA 0.518 4.858 4.340 0.000 0.000 0.268 223 R C -2.526 174.048 176.300 0.455 0.000 1.041 223 R CA -1.578 54.665 56.100 0.239 0.000 0.927 223 R CB 0.585 30.968 30.300 0.137 0.000 1.235 223 R HN -0.036 nan 8.270 nan 0.000 0.463 224 P HA -0.065 nan 4.420 nan 0.000 0.220 224 P C 0.330 177.738 177.300 0.181 0.000 1.148 224 P CA 0.944 64.261 63.100 0.362 0.000 0.803 224 P CB 0.345 32.192 31.700 0.245 0.000 0.782 225 L N 0.672 121.931 121.223 0.060 0.000 2.312 225 L HA 0.330 4.670 4.340 0.000 0.000 0.287 225 L C 0.619 177.301 176.870 -0.313 0.000 1.091 225 L CA -0.975 53.815 54.840 -0.083 0.000 0.846 225 L CB 0.425 42.444 42.059 -0.067 0.000 1.219 225 L HN -0.073 nan 8.230 nan 0.000 0.439 226 A N 7.282 129.828 122.820 -0.457 0.000 2.520 226 A HA 0.392 4.712 4.320 0.000 0.000 0.245 226 A C -1.916 175.268 177.584 -0.666 0.000 1.072 226 A CA -0.896 50.573 52.037 -0.946 0.000 0.761 226 A CB -0.443 18.200 19.000 -0.595 0.000 1.004 226 A HN 0.472 nan 8.150 nan 0.000 0.499 227 P HA 0.083 nan 4.420 nan 0.000 0.273 227 P C 0.965 178.097 177.300 -0.279 0.000 1.250 227 P CA -0.556 62.278 63.100 -0.443 0.000 0.793 227 P CB 0.524 31.966 31.700 -0.429 0.000 1.011 228 R N 0.618 121.019 120.500 -0.165 0.000 2.133 228 R HA -0.170 4.170 4.340 0.000 0.000 0.245 228 R C -0.104 176.155 176.300 -0.070 0.000 1.137 228 R CA 1.812 57.852 56.100 -0.100 0.000 0.947 228 R CB -0.563 29.698 30.300 -0.065 0.000 0.865 228 R HN 0.500 nan 8.270 nan 0.000 0.437 229 D N 1.496 121.869 120.400 -0.045 0.000 2.435 229 D HA 0.076 4.716 4.640 0.000 0.000 0.230 229 D C -0.544 175.781 176.300 0.041 0.000 1.215 229 D CA 0.179 54.185 54.000 0.010 0.000 0.947 229 D CB 0.325 41.151 40.800 0.043 0.000 1.048 229 D HN 0.436 nan 8.370 nan 0.000 0.512 230 N N 0.042 118.769 118.700 0.045 0.000 3.039 230 N HA 0.388 5.128 4.740 0.000 0.000 0.257 230 N C -1.832 173.761 175.510 0.138 0.000 1.497 230 N CA -1.000 52.122 53.050 0.119 0.000 0.861 230 N CB 1.243 39.764 38.487 0.057 0.000 1.479 230 N HN 0.152 nan 8.380 nan 0.000 0.547 231 Y N -0.180 120.147 120.300 0.044 0.000 2.361 231 Y HA 0.716 5.266 4.550 0.000 0.000 0.337 231 Y C -1.646 174.270 175.900 0.025 0.000 0.965 231 Y CA -0.475 57.631 58.100 0.011 0.000 1.091 231 Y CB 1.981 40.424 38.460 -0.028 0.000 1.182 231 Y HN 0.649 nan 8.280 nan 0.000 0.450 232 S N 3.953 119.220 115.700 -0.720 0.000 2.561 232 S HA 0.888 5.358 4.470 0.000 0.000 0.303 232 S C -0.410 173.776 174.600 -0.690 0.000 1.110 232 S CA -0.339 57.569 58.200 -0.487 0.000 1.034 232 S CB 1.520 64.588 63.200 -0.219 0.000 1.010 232 S HN 1.117 nan 8.310 nan 0.000 0.482 233 G N 1.567 110.131 108.800 -0.395 0.000 2.645 233 G HA2 0.481 4.441 3.960 0.000 0.000 0.292 233 G HA3 0.481 4.441 3.960 0.000 0.000 0.292 233 G C -1.378 173.528 174.900 0.009 0.000 1.415 233 G CA -0.949 44.030 45.100 -0.202 0.000 0.785 233 G HN 0.604 nan 8.290 nan 0.000 0.483 234 N N -0.566 118.168 118.700 0.057 0.000 2.497 234 N HA 0.144 4.884 4.740 0.000 0.000 0.268 234 N C 1.260 176.847 175.510 0.128 0.000 1.171 234 N CA -0.341 52.793 53.050 0.140 0.000 0.948 234 N CB 0.453 39.031 38.487 0.150 0.000 1.069 234 N HN 0.414 nan 8.380 nan 0.000 0.460 235 F N 4.520 124.519 119.950 0.081 0.000 2.085 235 F HA -0.251 4.276 4.527 0.000 0.000 0.299 235 F C 1.688 177.369 175.800 -0.199 0.000 1.096 235 F CA 1.400 59.388 58.000 -0.020 0.000 1.227 235 F CB -0.228 38.817 39.000 0.075 0.000 0.983 235 F HN 0.642 nan 8.300 nan 0.000 0.482 236 I N 0.689 120.950 120.570 -0.514 0.000 2.850 236 I HA -0.232 3.938 4.170 0.000 0.000 0.266 236 I C 1.342 177.207 176.117 -0.420 0.000 1.257 236 I CA 1.343 62.193 61.300 -0.750 0.000 1.465 236 I CB -0.821 36.560 38.000 -1.031 0.000 1.091 236 I HN 0.144 nan 8.210 nan 0.000 0.467 237 D N 0.607 120.850 120.400 -0.262 0.000 2.339 237 D HA 0.208 4.848 4.640 0.000 0.000 0.217 237 D C 1.327 177.530 176.300 -0.162 0.000 1.050 237 D CA 0.905 54.824 54.000 -0.135 0.000 0.856 237 D CB -0.107 40.690 40.800 -0.006 0.000 0.922 237 D HN 0.360 nan 8.370 nan 0.000 0.518 238 G N 1.016 109.636 108.800 -0.300 0.000 2.682 238 G HA2 0.082 4.042 3.960 0.000 0.000 0.256 238 G HA3 0.082 4.042 3.960 0.000 0.000 0.256 238 G C -0.254 174.537 174.900 -0.181 0.000 1.333 238 G CA -0.176 44.736 45.100 -0.313 0.000 0.904 238 G HN 0.762 nan 8.290 nan 0.000 0.569 239 A N -1.626 121.069 122.820 -0.208 0.000 2.594 239 A HA 0.783 5.103 4.320 0.000 0.000 0.296 239 A C -1.167 176.387 177.584 -0.051 0.000 1.056 239 A CA 0.590 52.502 52.037 -0.208 0.000 0.693 239 A CB 1.387 20.282 19.000 -0.174 0.000 1.278 239 A HN 2.390 nan 8.150 nan 0.000 0.408 240 Y N 0.423 120.608 120.300 -0.192 0.000 2.534 240 Y HA 0.811 5.361 4.550 0.000 0.000 0.345 240 Y C -0.363 175.512 175.900 -0.040 0.000 1.031 240 Y CA 0.236 58.316 58.100 -0.034 0.000 1.022 240 Y CB 2.173 40.618 38.460 -0.025 0.000 1.292 240 Y HN 1.257 nan 8.280 nan 0.000 0.459 241 T N 4.629 118.525 114.554 -1.097 0.000 2.722 241 T HA 0.521 4.871 4.350 0.000 0.000 0.314 241 T C -1.970 172.303 174.700 -0.711 0.000 1.675 241 T CA -0.510 61.087 62.100 -0.838 0.000 1.003 241 T CB 0.375 68.950 68.868 -0.489 0.000 1.602 241 T HN 0.660 nan 8.240 nan 0.000 0.496 242 F N 0.778 120.538 119.950 -0.317 0.000 2.575 242 F HA 0.987 5.514 4.527 0.000 0.000 0.330 242 F C -0.113 175.690 175.800 0.004 0.000 1.056 242 F CA -1.206 56.719 58.000 -0.124 0.000 0.964 242 F CB 0.785 39.763 39.000 -0.036 0.000 1.258 242 F HN 0.694 nan 8.300 nan 0.000 0.484 243 A N 1.384 124.311 122.820 0.178 0.000 2.299 243 A HA 0.915 5.235 4.320 0.000 0.000 0.332 243 A C -1.350 176.423 177.584 0.315 0.000 1.131 243 A CA -0.628 51.419 52.037 0.017 0.000 0.844 243 A CB 0.828 19.810 19.000 -0.029 0.000 1.251 243 A HN 1.007 nan 8.150 nan 0.000 0.486 244 F N -1.567 118.502 119.950 0.198 0.000 2.662 244 F HA 0.609 5.136 4.527 0.000 0.000 0.312 244 F C -0.648 175.245 175.800 0.154 0.000 1.113 244 F CA -1.480 56.679 58.000 0.265 0.000 0.951 244 F CB 0.505 39.686 39.000 0.302 0.000 1.344 244 F HN 0.512 nan 8.300 nan 0.000 0.462 245 D N 1.623 122.270 120.400 0.413 0.000 2.531 245 D HA 0.061 4.701 4.640 0.000 0.000 0.239 245 D C 0.521 176.919 176.300 0.163 0.000 1.144 245 D CA 0.550 54.577 54.000 0.044 0.000 0.869 245 D CB 0.824 41.329 40.800 -0.492 0.000 1.160 245 D HN 0.801 nan 8.370 nan 0.000 0.484 246 K N 1.471 121.881 120.400 0.017 0.000 2.402 246 K HA 0.107 4.427 4.320 0.000 0.000 0.204 246 K C 0.217 176.812 176.600 -0.009 0.000 1.056 246 K CA -0.466 55.838 56.287 0.029 0.000 1.069 246 K CB 0.238 32.714 32.500 -0.040 0.000 0.888 246 K HN 0.351 nan 8.250 nan 0.000 0.546 247 S N 0.390 116.060 115.700 -0.049 0.000 2.646 247 S HA 0.168 4.638 4.470 0.000 0.000 0.273 247 S C 1.046 175.618 174.600 -0.047 0.000 1.168 247 S CA 0.025 58.196 58.200 -0.050 0.000 1.013 247 S CB 0.931 64.092 63.200 -0.066 0.000 1.098 247 S HN 0.201 nan 8.310 nan 0.000 0.544 248 T N -0.690 113.839 114.554 -0.041 0.000 3.040 248 T HA 0.169 4.519 4.350 0.000 0.000 0.252 248 T C 0.140 174.785 174.700 -0.091 0.000 1.064 248 T CA 0.488 62.550 62.100 -0.064 0.000 1.110 248 T CB -0.363 68.479 68.868 -0.043 0.000 0.921 248 T HN 0.794 nan 8.240 nan 0.000 0.480 249 D N 0.117 120.515 120.400 -0.004 0.000 2.819 249 D HA 0.159 4.799 4.640 0.000 0.000 0.326 249 D C -0.389 176.057 176.300 0.244 0.000 1.408 249 D CA -1.034 53.042 54.000 0.128 0.000 0.811 249 D CB -1.079 39.794 40.800 0.122 0.000 1.148 249 D HN 0.263 nan 8.370 nan 0.000 0.457 250 F N 0.782 120.758 119.950 0.043 0.000 2.807 250 F HA -0.221 4.306 4.527 0.000 0.000 0.297 250 F C 0.595 176.286 175.800 -0.181 0.000 1.024 250 F CA 0.144 58.098 58.000 -0.076 0.000 1.008 250 F CB -1.555 37.362 39.000 -0.138 0.000 1.142 250 F HN 0.127 nan 8.300 nan 0.000 0.829 251 E N 0.520 120.707 120.200 -0.021 0.000 2.413 251 E HA 0.111 4.461 4.350 0.000 0.000 0.263 251 E C -0.132 176.396 176.600 -0.119 0.000 1.015 251 E CA -0.158 56.228 56.400 -0.025 0.000 0.916 251 E CB 0.568 30.259 29.700 -0.015 0.000 0.947 251 E HN 0.290 nan 8.360 nan 0.000 0.440 252 W N 3.789 125.040 121.300 -0.081 0.000 2.218 252 W HA 0.267 4.927 4.660 0.000 0.000 0.326 252 W C -0.467 175.884 176.519 -0.279 0.000 1.276 252 W CA -0.602 56.635 57.345 -0.181 0.000 1.210 252 W CB 0.753 30.138 29.460 -0.124 0.000 1.143 252 W HN 0.411 nan 8.180 nan 0.000 0.563 253 C N 3.153 122.286 119.300 -0.278 0.000 2.493 253 C HA 0.404 4.864 4.460 0.000 0.000 0.326 253 C C -0.096 174.596 174.990 -0.496 0.000 1.200 253 C CA -0.920 57.770 59.018 -0.547 0.000 1.739 253 C CB 1.148 28.238 27.740 -1.084 0.000 2.300 253 C HN 0.468 nan 8.230 nan 0.000 0.500 254 D N 0.112 120.400 120.400 -0.186 0.000 2.277 254 D HA 0.480 5.120 4.640 0.000 0.000 0.250 254 D C -0.537 175.859 176.300 0.160 0.000 1.032 254 D CA -0.168 53.846 54.000 0.024 0.000 0.947 254 D CB 0.705 41.568 40.800 0.104 0.000 1.159 254 D HN 0.342 nan 8.370 nan 0.000 0.460 255 F N 0.357 120.545 119.950 0.397 0.000 2.412 255 F HA 0.273 4.800 4.527 0.000 0.000 0.348 255 F C 0.742 176.711 175.800 0.282 0.000 1.102 255 F CA -0.400 57.837 58.000 0.395 0.000 1.196 255 F CB 1.082 40.270 39.000 0.313 0.000 1.144 255 F HN -0.128 nan 8.300 nan 0.000 0.541 256 V N 5.652 125.858 119.914 0.487 0.000 2.439 256 V HA 0.405 4.525 4.120 0.000 0.000 0.277 256 V C -0.694 175.646 176.094 0.411 0.000 1.008 256 V CA -0.760 61.767 62.300 0.378 0.000 0.846 256 V CB 0.916 32.913 31.823 0.291 0.000 1.031 256 V HN 0.778 nan 8.190 nan 0.000 0.441 257 R N 4.014 124.696 120.500 0.303 0.000 2.296 257 R HA 0.588 4.928 4.340 0.000 0.000 0.323 257 R C -0.337 176.062 176.300 0.165 0.000 1.067 257 R CA 0.570 56.798 56.100 0.214 0.000 0.946 257 R CB 0.985 31.381 30.300 0.160 0.000 0.991 257 R HN 0.886 nan 8.270 nan 0.000 0.448 258 S N 3.007 118.753 115.700 0.077 0.000 2.607 258 S HA 0.241 4.711 4.470 0.000 0.000 0.273 258 S C 0.220 174.750 174.600 -0.117 0.000 1.148 258 S CA -0.769 57.433 58.200 0.004 0.000 0.833 258 S CB 1.318 64.558 63.200 0.067 0.000 1.130 258 S HN 0.554 nan 8.310 nan 0.000 0.470 259 L N 2.174 123.348 121.223 -0.082 0.000 2.270 259 L HA 0.493 4.833 4.340 0.000 0.000 0.210 259 L C 0.411 177.183 176.870 -0.163 0.000 1.104 259 L CA 1.446 56.231 54.840 -0.092 0.000 0.804 259 L CB -0.297 41.740 42.059 -0.037 0.000 0.937 259 L HN 0.839 nan 8.230 nan 0.000 0.450 260 E N -1.727 118.365 120.200 -0.181 0.000 2.392 260 E HA 0.270 4.620 4.350 0.000 0.000 0.279 260 E C -1.411 175.123 176.600 -0.110 0.000 0.964 260 E CA -0.765 55.524 56.400 -0.184 0.000 0.777 260 E CB 0.545 30.215 29.700 -0.051 0.000 1.249 260 E HN 0.034 nan 8.360 nan 0.000 0.449 261 F N 1.795 121.726 119.950 -0.032 0.000 2.366 261 F HA 0.390 4.917 4.527 0.000 0.000 0.366 261 F C 0.214 175.993 175.800 -0.034 0.000 1.096 261 F CA -0.733 57.243 58.000 -0.039 0.000 1.060 261 F CB 1.945 40.894 39.000 -0.086 0.000 1.282 261 F HN 0.594 nan 8.300 nan 0.000 0.450 262 S N 1.851 117.653 115.700 0.171 0.000 2.745 262 S HA 0.358 4.828 4.470 0.000 0.000 0.306 262 S C 0.592 175.235 174.600 0.071 0.000 1.137 262 S CA -0.712 57.547 58.200 0.099 0.000 0.900 262 S CB 1.746 64.990 63.200 0.072 0.000 1.176 262 S HN 0.638 nan 8.310 nan 0.000 0.520 263 E N 0.480 120.712 120.200 0.053 0.000 2.358 263 E HA 0.089 4.439 4.350 0.000 0.000 0.195 263 E C 0.401 177.023 176.600 0.037 0.000 1.010 263 E CA 0.408 56.831 56.400 0.038 0.000 0.856 263 E CB 0.199 29.919 29.700 0.033 0.000 0.795 263 E HN 0.438 nan 8.360 nan 0.000 0.504 264 S N 1.049 116.774 115.700 0.042 0.000 2.566 264 S HA 0.153 4.623 4.470 0.000 0.000 0.298 264 S C 0.306 174.934 174.600 0.047 0.000 1.083 264 S CA -0.916 57.307 58.200 0.039 0.000 0.978 264 S CB 1.003 64.222 63.200 0.031 0.000 1.073 264 S HN 0.154 nan 8.310 nan 0.000 0.491 265 N N 2.477 121.205 118.700 0.047 0.000 2.322 265 N HA 0.047 4.787 4.740 0.000 0.000 0.194 265 N C -0.400 175.137 175.510 0.045 0.000 1.126 265 N CA 0.008 53.090 53.050 0.053 0.000 0.845 265 N CB -0.074 38.447 38.487 0.058 0.000 0.976 265 N HN 0.259 nan 8.380 nan 0.000 0.475 266 V N 1.955 121.891 119.914 0.037 0.000 2.350 266 V HA 0.187 4.307 4.120 0.000 0.000 0.276 266 V C 0.147 176.256 176.094 0.026 0.000 1.028 266 V CA -1.018 61.300 62.300 0.030 0.000 0.860 266 V CB 1.202 33.040 31.823 0.025 0.000 0.990 266 V HN 0.135 nan 8.190 nan 0.000 0.453 267 L N 4.881 126.118 121.223 0.022 0.000 2.525 267 L HA 0.304 4.644 4.340 0.000 0.000 0.278 267 L C 1.487 178.364 176.870 0.011 0.000 1.218 267 L CA 1.770 56.620 54.840 0.016 0.000 0.878 267 L CB -0.043 42.023 42.059 0.013 0.000 1.127 267 L HN 1.005 nan 8.230 nan 0.000 0.492 268 G N 3.277 112.082 108.800 0.007 0.000 2.186 268 G HA2 -0.282 3.678 3.960 0.000 0.000 0.266 268 G HA3 -0.282 3.678 3.960 0.000 0.000 0.266 268 G C 0.668 175.570 174.900 0.003 0.000 0.982 268 G CA 0.493 45.595 45.100 0.002 0.000 0.670 268 G HN 1.261 nan 8.290 nan 0.000 0.533 269 A N 0.036 122.861 122.820 0.008 0.000 2.532 269 A HA 0.572 4.892 4.320 0.000 0.000 0.269 269 A C 1.880 179.464 177.584 0.001 0.000 1.079 269 A CA 1.199 53.240 52.037 0.007 0.000 0.800 269 A CB -0.171 18.837 19.000 0.013 0.000 1.000 269 A HN 1.900 nan 8.150 nan 0.000 0.522 270 A N 3.136 125.953 122.820 -0.004 0.000 1.948 270 A HA -0.144 4.176 4.320 0.000 0.000 0.220 270 A C 2.180 179.755 177.584 -0.014 0.000 1.177 270 A CA 2.422 54.452 52.037 -0.012 0.000 0.636 270 A CB -0.978 18.016 19.000 -0.011 0.000 0.815 270 A HN 1.126 nan 8.150 nan 0.000 0.449 271 T N -1.718 112.831 114.554 -0.007 0.000 3.067 271 T HA 0.435 4.785 4.350 0.000 0.000 0.261 271 T C 0.909 175.609 174.700 -0.001 0.000 1.110 271 T CA 0.412 62.509 62.100 -0.006 0.000 1.113 271 T CB -0.411 68.457 68.868 -0.001 0.000 0.917 271 T HN 0.648 nan 8.240 nan 0.000 0.499 272 A N 2.281 125.104 122.820 0.005 0.000 2.409 272 A HA 0.591 4.911 4.320 0.000 0.000 0.267 272 A C 0.425 178.022 177.584 0.020 0.000 1.127 272 A CA -0.526 51.521 52.037 0.016 0.000 0.795 272 A CB -0.261 18.753 19.000 0.023 0.000 1.061 272 A HN 0.452 nan 8.150 nan 0.000 0.502 273 M N 3.267 122.890 119.600 0.039 0.000 2.238 273 M HA 0.281 4.761 4.480 0.000 0.000 0.347 273 M C 0.446 176.810 176.300 0.106 0.000 1.173 273 M CA 0.616 55.963 55.300 0.078 0.000 1.147 273 M CB 0.609 33.280 32.600 0.119 0.000 1.547 273 M HN 0.839 nan 8.290 nan 0.000 0.455 274 K N 3.495 123.990 120.400 0.159 0.000 2.642 274 K HA 0.401 4.721 4.320 0.000 0.000 0.290 274 K C -2.387 174.330 176.600 0.194 0.000 1.006 274 K CA -0.739 55.633 56.287 0.142 0.000 0.869 274 K CB 1.064 33.610 32.500 0.077 0.000 1.499 274 K HN 0.717 nan 8.250 nan 0.000 0.403 275 L N 2.383 123.644 121.223 0.063 0.000 2.275 275 L HA 0.476 4.816 4.340 0.000 0.000 0.288 275 L C -0.565 176.281 176.870 -0.040 0.000 1.046 275 L CA -1.208 53.583 54.840 -0.081 0.000 0.805 275 L CB 1.143 42.935 42.059 -0.444 0.000 1.193 275 L HN 0.559 nan 8.230 nan 0.000 0.426 276 L N 3.867 125.139 121.223 0.082 0.000 2.381 276 L HA 0.706 5.046 4.340 0.000 0.000 0.274 276 L C 0.001 176.858 176.870 -0.023 0.000 0.988 276 L CA -0.165 54.678 54.840 0.005 0.000 0.824 276 L CB 1.695 43.765 42.059 0.018 0.000 1.263 276 L HN 0.622 nan 8.230 nan 0.000 0.410 277 A N 7.000 129.748 122.820 -0.120 0.000 2.477 277 A HA 0.574 4.894 4.320 0.000 0.000 0.246 277 A C -2.357 175.199 177.584 -0.047 0.000 1.078 277 A CA -0.838 51.119 52.037 -0.133 0.000 0.770 277 A CB -0.740 18.214 19.000 -0.075 0.000 1.011 277 A HN 0.628 nan 8.150 nan 0.000 0.494 278 P HA 0.232 nan 4.420 nan 0.000 0.274 278 P C 0.741 178.027 177.300 -0.024 0.000 1.246 278 P CA 1.053 64.141 63.100 -0.021 0.000 0.795 278 P CB 0.488 32.175 31.700 -0.023 0.000 1.006 279 G N 0.451 109.234 108.800 -0.028 0.000 2.341 279 G HA2 -0.157 3.803 3.960 0.000 0.000 0.292 279 G HA3 -0.157 3.803 3.960 0.000 0.000 0.292 279 G C 0.896 175.781 174.900 -0.024 0.000 1.021 279 G CA 0.814 45.897 45.100 -0.028 0.000 0.905 279 G HN 1.050 nan 8.290 nan 0.000 0.508 280 G N -1.203 107.585 108.800 -0.021 0.000 2.233 280 G HA2 0.194 4.154 3.960 0.000 0.000 0.270 280 G HA3 0.194 4.154 3.960 0.000 0.000 0.270 280 G C 2.059 176.950 174.900 -0.016 0.000 1.011 280 G CA 0.907 45.996 45.100 -0.017 0.000 0.762 280 G HN 2.581 nan 8.290 nan 0.000 0.511 281 G N -2.202 106.587 108.800 -0.018 0.000 2.203 281 G HA2 -0.207 3.753 3.960 0.000 0.000 0.263 281 G HA3 -0.207 3.753 3.960 0.000 0.000 0.263 281 G C 1.177 176.069 174.900 -0.014 0.000 1.012 281 G CA 1.456 46.548 45.100 -0.013 0.000 0.749 281 G HN 1.367 nan 8.290 nan 0.000 0.512 282 T N -0.283 114.257 114.554 -0.023 0.000 2.788 282 T HA -0.016 4.334 4.350 0.000 0.000 0.268 282 T C 1.810 176.493 174.700 -0.027 0.000 1.044 282 T CA 1.797 63.885 62.100 -0.021 0.000 1.139 282 T CB -0.103 68.751 68.868 -0.023 0.000 0.867 282 T HN 0.597 nan 8.240 nan 0.000 0.454 283 D N 0.013 120.377 120.400 -0.060 0.000 2.415 283 D HA 0.080 4.720 4.640 0.000 0.000 0.269 283 D C 0.479 176.660 176.300 -0.198 0.000 1.099 283 D CA 0.426 54.375 54.000 -0.085 0.000 0.865 283 D CB 0.828 41.572 40.800 -0.093 0.000 1.359 283 D HN 0.427 nan 8.370 nan 0.000 0.506 284 T N 0.610 114.997 114.554 -0.278 0.000 2.949 284 T HA 0.510 4.861 4.350 0.000 0.000 0.300 284 T C -0.124 174.513 174.700 -0.105 0.000 0.988 284 T CA -0.653 61.083 62.100 -0.606 0.000 0.993 284 T CB 1.864 70.159 68.868 -0.956 0.000 0.984 284 T HN -0.082 nan 8.240 nan 0.000 0.442 285 T N 1.241 115.852 114.554 0.094 0.000 2.950 285 T HA 0.697 5.047 4.350 0.000 0.000 0.288 285 T C -0.051 174.862 174.700 0.355 0.000 1.035 285 T CA -1.099 61.112 62.100 0.186 0.000 1.028 285 T CB 0.854 69.794 68.868 0.120 0.000 1.109 285 T HN 0.382 nan 8.240 nan 0.000 0.514 286 L N 2.759 124.021 121.223 0.065 0.000 2.455 286 L HA 0.241 4.581 4.340 0.000 0.000 0.272 286 L C 1.921 178.870 176.870 0.132 0.000 1.174 286 L CA 0.641 55.454 54.840 -0.045 0.000 0.869 286 L CB 0.471 42.071 42.059 -0.764 0.000 1.130 286 L HN 1.138 nan 8.230 nan 0.000 0.474 287 T N -0.878 113.816 114.554 0.234 0.000 3.031 287 T HA 0.535 4.885 4.350 0.000 0.000 0.254 287 T C 0.746 175.683 174.700 0.396 0.000 1.060 287 T CA 0.348 62.566 62.100 0.197 0.000 1.135 287 T CB 0.326 69.086 68.868 -0.180 0.000 0.896 287 T HN 0.814 nan 8.240 nan 0.000 0.472 288 G N 0.472 109.551 108.800 0.465 0.000 2.341 288 G HA2 0.416 4.376 3.960 0.000 0.000 0.293 288 G HA3 0.416 4.376 3.960 0.000 0.000 0.293 288 G C -2.598 172.563 174.900 0.435 0.000 1.298 288 G CA -0.765 44.639 45.100 0.507 0.000 0.868 288 G HN 0.415 nan 8.290 nan 0.000 0.540 289 L N 1.100 122.506 121.223 0.304 0.000 2.376 289 L HA 0.779 5.119 4.340 0.000 0.000 0.275 289 L C 0.909 177.908 176.870 0.216 0.000 0.987 289 L CA 0.413 55.352 54.840 0.165 0.000 0.828 289 L CB 1.340 43.327 42.059 -0.119 0.000 1.249 289 L HN 1.267 nan 8.230 nan 0.000 0.409 290 G N 2.596 111.528 108.800 0.221 0.000 2.611 290 G HA2 0.080 4.040 3.960 0.000 0.000 0.273 290 G HA3 0.080 4.040 3.960 0.000 0.000 0.273 290 G C 0.686 175.557 174.900 -0.048 0.000 1.305 290 G CA 0.053 45.250 45.100 0.162 0.000 1.010 290 G HN 0.810 nan 8.290 nan 0.000 0.509 291 N N -1.226 117.455 118.700 -0.033 0.000 2.494 291 N HA -0.087 4.653 4.740 0.000 0.000 0.182 291 N C 1.067 176.525 175.510 -0.086 0.000 1.076 291 N CA 0.758 53.767 53.050 -0.069 0.000 0.908 291 N CB -0.371 38.077 38.487 -0.066 0.000 0.967 291 N HN 0.389 nan 8.380 nan 0.000 0.449 292 V N 0.167 120.017 119.914 -0.106 0.000 2.997 292 V HA 0.342 4.462 4.120 0.000 0.000 0.311 292 V C 0.254 176.239 176.094 -0.183 0.000 1.066 292 V CA -1.406 60.828 62.300 -0.110 0.000 1.039 292 V CB 0.771 32.563 31.823 -0.052 0.000 1.081 292 V HN 0.181 nan 8.190 nan 0.000 0.467 293 N N 1.066 119.614 118.700 -0.254 0.000 2.317 293 N HA 0.277 5.017 4.740 0.000 0.000 0.245 293 N C -0.159 175.212 175.510 -0.230 0.000 1.294 293 N CA -0.362 52.523 53.050 -0.275 0.000 0.924 293 N CB -0.070 38.164 38.487 -0.422 0.000 1.186 293 N HN 0.803 nan 8.380 nan 0.000 0.495 294 T N 0.432 114.868 114.554 -0.197 0.000 2.824 294 T HA 0.378 4.728 4.350 0.000 0.000 0.280 294 T C -0.350 174.252 174.700 -0.163 0.000 0.995 294 T CA -0.620 61.386 62.100 -0.158 0.000 1.009 294 T CB 0.615 69.390 68.868 -0.155 0.000 0.955 294 T HN 0.195 nan 8.240 nan 0.000 0.452 295 L N 3.664 124.824 121.223 -0.105 0.000 2.305 295 L HA 0.486 4.826 4.340 0.000 0.000 0.281 295 L C -0.221 176.579 176.870 -0.117 0.000 1.085 295 L CA -0.326 54.453 54.840 -0.102 0.000 0.813 295 L CB 1.165 43.266 42.059 0.070 0.000 1.157 295 L HN 0.409 nan 8.230 nan 0.000 0.436 296 V N 4.735 124.431 119.914 -0.364 0.000 2.407 296 V HA 0.383 4.503 4.120 0.000 0.000 0.291 296 V C -0.964 174.786 176.094 -0.573 0.000 1.018 296 V CA -0.743 61.252 62.300 -0.507 0.000 0.842 296 V CB 1.269 32.454 31.823 -1.064 0.000 0.996 296 V HN 0.439 nan 8.190 nan 0.000 0.426 297 Y N 3.481 123.593 120.300 -0.315 0.000 2.328 297 Y HA 0.526 5.076 4.550 0.000 0.000 0.337 297 Y C 0.268 176.033 175.900 -0.224 0.000 0.966 297 Y CA -0.718 57.246 58.100 -0.228 0.000 1.136 297 Y CB 1.769 40.151 38.460 -0.131 0.000 1.170 297 Y HN 0.488 nan 8.280 nan 0.000 0.470 298 K N 4.674 124.987 120.400 -0.144 0.000 2.425 298 K HA 0.588 4.908 4.320 0.000 0.000 0.259 298 K C -1.740 174.749 176.600 -0.184 0.000 0.978 298 K CA -0.592 55.531 56.287 -0.273 0.000 0.883 298 K CB 0.553 32.927 32.500 -0.211 0.000 1.110 298 K HN 0.604 nan 8.250 nan 0.000 0.436 299 I N 2.501 122.911 120.570 -0.266 0.000 2.354 299 I HA 0.160 4.330 4.170 0.000 0.000 0.292 299 I C -0.041 175.929 176.117 -0.245 0.000 0.989 299 I CA -0.156 60.968 61.300 -0.294 0.000 1.188 299 I CB 1.891 39.436 38.000 -0.758 0.000 1.342 299 I HN 0.427 nan 8.210 nan 0.000 0.457 300 S N 4.084 119.693 115.700 -0.151 0.000 2.448 300 S HA 0.560 5.030 4.470 0.000 0.000 0.320 300 S C -0.407 174.124 174.600 -0.115 0.000 1.071 300 S CA -0.368 57.771 58.200 -0.100 0.000 1.113 300 S CB 0.184 63.358 63.200 -0.043 0.000 0.972 300 S HN 0.616 nan 8.310 nan 0.000 0.465 301 T N 8.142 122.634 114.554 -0.103 0.000 2.788 301 T HA 0.456 4.806 4.350 0.000 0.000 0.296 301 T C -2.507 172.158 174.700 -0.058 0.000 1.009 301 T CA -1.171 60.864 62.100 -0.109 0.000 0.949 301 T CB 1.455 70.276 68.868 -0.078 0.000 0.946 301 T HN 0.472 nan 8.240 nan 0.000 0.453 302 P HA 0.169 nan 4.420 nan 0.000 0.275 302 P C -0.104 177.173 177.300 -0.038 0.000 1.266 302 P CA -0.412 62.662 63.100 -0.044 0.000 0.793 302 P CB 0.310 31.978 31.700 -0.054 0.000 1.074 303 T N 0.250 114.788 114.554 -0.027 0.000 2.928 303 T HA 0.319 4.669 4.350 0.000 0.000 0.305 303 T C 1.431 176.114 174.700 -0.029 0.000 1.035 303 T CA 1.600 63.687 62.100 -0.021 0.000 1.145 303 T CB -0.518 68.341 68.868 -0.015 0.000 0.963 303 T HN 0.816 nan 8.240 nan 0.000 0.545 304 G N 1.759 110.546 108.800 -0.023 0.000 2.234 304 G HA2 -0.163 3.797 3.960 0.000 0.000 0.260 304 G HA3 -0.163 3.797 3.960 0.000 0.000 0.260 304 G C 0.327 175.208 174.900 -0.032 0.000 0.987 304 G CA 0.049 45.134 45.100 -0.025 0.000 0.625 304 G HN 1.199 nan 8.290 nan 0.000 0.532 305 A N -0.102 122.691 122.820 -0.045 0.000 2.388 305 A HA 0.646 4.966 4.320 0.000 0.000 0.257 305 A C 0.339 177.908 177.584 -0.025 0.000 1.095 305 A CA 0.398 52.401 52.037 -0.058 0.000 0.791 305 A CB 1.136 20.079 19.000 -0.096 0.000 1.029 305 A HN 1.113 nan 8.150 nan 0.000 0.489 306 V N 4.477 124.396 119.914 0.007 0.000 2.275 306 V HA 0.200 4.320 4.120 0.000 0.000 0.272 306 V C -0.587 175.552 176.094 0.076 0.000 1.028 306 V CA -0.676 61.650 62.300 0.043 0.000 0.810 306 V CB 0.309 32.170 31.823 0.063 0.000 1.043 306 V HN 0.790 nan 8.190 nan 0.000 0.453 307 N N 3.407 122.116 118.700 0.015 0.000 2.501 307 N HA 0.532 5.272 4.740 0.000 0.000 0.245 307 N C 0.067 175.725 175.510 0.248 0.000 0.974 307 N CA -0.223 52.787 53.050 -0.067 0.000 0.941 307 N CB 1.920 40.052 38.487 -0.592 0.000 1.122 307 N HN 0.759 nan 8.380 nan 0.000 0.507 308 T N -1.010 113.763 114.554 0.365 0.000 2.924 308 T HA 0.969 5.319 4.350 0.000 0.000 0.291 308 T C -0.462 174.484 174.700 0.410 0.000 1.045 308 T CA -0.932 61.348 62.100 0.300 0.000 1.015 308 T CB 2.324 71.282 68.868 0.150 0.000 1.103 308 T HN 0.409 nan 8.240 nan 0.000 0.496 309 A N 1.202 124.185 122.820 0.271 0.000 2.566 309 A HA 0.701 5.021 4.320 0.000 0.000 0.290 309 A C -1.615 176.038 177.584 0.114 0.000 1.071 309 A CA -1.006 51.163 52.037 0.220 0.000 0.658 309 A CB 0.800 19.984 19.000 0.308 0.000 1.285 309 A HN 0.904 nan 8.150 nan 0.000 0.427 310 I N 0.652 121.293 120.570 0.118 0.000 2.392 310 I HA 0.457 4.627 4.170 0.000 0.000 0.295 310 I C -0.801 175.381 176.117 0.107 0.000 0.985 310 I CA -0.693 60.653 61.300 0.077 0.000 1.221 310 I CB 1.630 39.665 38.000 0.058 0.000 1.366 310 I HN 0.558 nan 8.210 nan 0.000 0.467 311 L N 7.581 128.796 121.223 -0.013 0.000 2.305 311 L HA 0.514 4.854 4.340 0.000 0.000 0.284 311 L C -0.648 176.142 176.870 -0.132 0.000 1.013 311 L CA -0.111 54.669 54.840 -0.100 0.000 0.819 311 L CB 0.828 42.733 42.059 -0.257 0.000 1.227 311 L HN 0.477 nan 8.230 nan 0.000 0.417 312 R N 3.165 123.602 120.500 -0.106 0.000 2.387 312 R HA 0.634 4.974 4.340 0.000 0.000 0.314 312 R C -0.907 175.189 176.300 -0.341 0.000 0.958 312 R CA -0.620 55.276 56.100 -0.340 0.000 0.846 312 R CB 1.891 31.894 30.300 -0.494 0.000 1.147 312 R HN 0.566 nan 8.270 nan 0.000 0.447 313 T N 3.290 117.630 114.554 -0.357 0.000 2.840 313 T HA 0.381 4.731 4.350 0.000 0.000 0.287 313 T C -0.922 173.800 174.700 0.037 0.000 0.991 313 T CA -0.531 61.540 62.100 -0.047 0.000 0.964 313 T CB 0.665 69.550 68.868 0.029 0.000 0.954 313 T HN 0.297 nan 8.240 nan 0.000 0.438 314 W N 3.566 125.012 121.300 0.244 0.000 2.647 314 W HA 0.571 5.231 4.660 0.000 0.000 0.353 314 W C 0.060 176.748 176.519 0.281 0.000 1.080 314 W CA -0.686 56.816 57.345 0.262 0.000 1.208 314 W CB 1.731 31.326 29.460 0.225 0.000 1.396 314 W HN 0.708 nan 8.180 nan 0.000 0.573 315 N N 0.635 119.630 118.700 0.490 0.000 2.647 315 N HA 0.183 4.923 4.740 0.000 0.000 0.259 315 N C -2.089 173.522 175.510 0.169 0.000 1.098 315 N CA -0.532 52.727 53.050 0.348 0.000 0.984 315 N CB 0.984 39.706 38.487 0.392 0.000 1.683 315 N HN 0.311 nan 8.380 nan 0.000 0.501 316 C N 3.056 122.424 119.300 0.114 0.000 2.322 316 C HA 0.783 5.243 4.460 0.000 0.000 0.324 316 C C -0.832 174.092 174.990 -0.110 0.000 1.249 316 C CA -0.515 58.509 59.018 0.010 0.000 1.453 316 C CB -1.300 26.464 27.740 0.039 0.000 2.145 316 C HN 0.677 nan 8.230 nan 0.000 0.466 317 I N 5.346 125.791 120.570 -0.208 0.000 2.465 317 I HA 0.418 4.588 4.170 0.000 0.000 0.291 317 I C -0.115 175.893 176.117 -0.181 0.000 1.014 317 I CA -0.349 60.765 61.300 -0.311 0.000 1.093 317 I CB 1.669 39.368 38.000 -0.501 0.000 1.267 317 I HN 0.526 nan 8.210 nan 0.000 0.431 318 E N 6.352 126.446 120.200 -0.177 0.000 2.200 318 E HA 0.594 4.944 4.350 0.000 0.000 0.283 318 E C -1.289 175.348 176.600 0.063 0.000 1.015 318 E CA -0.619 55.722 56.400 -0.099 0.000 0.819 318 E CB 2.104 31.645 29.700 -0.266 0.000 1.081 318 E HN 0.330 nan 8.360 nan 0.000 0.397 319 L N 2.188 123.540 121.223 0.216 0.000 2.401 319 L HA 0.268 4.608 4.340 0.000 0.000 0.266 319 L C -0.236 176.914 176.870 0.467 0.000 0.991 319 L CA -0.649 54.416 54.840 0.375 0.000 0.818 319 L CB 1.935 44.035 42.059 0.068 0.000 1.321 319 L HN 0.303 nan 8.230 nan 0.000 0.413 320 Q N 4.176 124.247 119.800 0.451 0.000 2.337 320 Q HA 0.320 4.660 4.340 0.000 0.000 0.255 320 Q C -2.293 173.998 176.000 0.485 0.000 0.997 320 Q CA -1.719 54.279 55.803 0.325 0.000 0.925 320 Q CB 1.120 29.913 28.738 0.090 0.000 1.212 320 Q HN 0.262 nan 8.270 nan 0.000 0.436 321 P HA 0.060 nan 4.420 nan 0.000 0.281 321 P C -1.169 176.337 177.300 0.342 0.000 1.249 321 P CA -0.442 62.917 63.100 0.433 0.000 0.810 321 P CB 0.747 32.714 31.700 0.445 0.000 1.008 322 Y N 0.520 120.822 120.300 0.002 0.000 2.346 322 Y HA 0.055 4.605 4.550 0.000 0.000 0.330 322 Y C 2.173 177.949 175.900 -0.206 0.000 1.178 322 Y CA 0.587 58.635 58.100 -0.086 0.000 1.331 322 Y CB 0.235 38.614 38.460 -0.136 0.000 1.253 322 Y HN 0.384 nan 8.280 nan 0.000 0.529 323 T N -2.881 111.492 114.554 -0.303 0.000 3.160 323 T HA -0.096 4.254 4.350 0.000 0.000 0.257 323 T C 0.787 175.034 174.700 -0.754 0.000 1.147 323 T CA 0.991 62.505 62.100 -0.978 0.000 1.064 323 T CB -0.136 68.278 68.868 -0.756 0.000 0.949 323 T HN 0.746 nan 8.240 nan 0.000 0.526 324 D N 1.164 121.391 120.400 -0.289 0.000 2.417 324 D HA 0.025 4.665 4.640 0.000 0.000 0.207 324 D C 0.889 177.138 176.300 -0.086 0.000 1.075 324 D CA -0.049 53.852 54.000 -0.166 0.000 0.851 324 D CB -0.268 40.482 40.800 -0.084 0.000 0.976 324 D HN 0.503 nan 8.370 nan 0.000 0.505 325 S N 0.008 115.672 115.700 -0.060 0.000 2.576 325 S HA 0.387 4.857 4.470 0.000 0.000 0.272 325 S C 1.386 175.985 174.600 -0.002 0.000 1.352 325 S CA -0.072 58.091 58.200 -0.062 0.000 1.021 325 S CB 1.491 64.612 63.200 -0.133 0.000 0.887 325 S HN 0.250 nan 8.310 nan 0.000 0.542 326 A N 1.002 123.810 122.820 -0.019 0.000 2.168 326 A HA 0.188 4.508 4.320 0.000 0.000 0.215 326 A C 1.846 179.440 177.584 0.016 0.000 1.152 326 A CA 0.455 52.488 52.037 -0.006 0.000 0.716 326 A CB -0.802 18.195 19.000 -0.005 0.000 0.794 326 A HN 0.824 nan 8.150 nan 0.000 0.465 327 L N -2.430 118.830 121.223 0.061 0.000 2.418 327 L HA 0.033 4.373 4.340 0.000 0.000 0.218 327 L C 2.167 179.129 176.870 0.153 0.000 1.125 327 L CA 0.383 55.326 54.840 0.172 0.000 0.835 327 L CB -0.483 41.647 42.059 0.118 0.000 0.953 327 L HN 0.410 nan 8.230 nan 0.000 0.454 328 F N 2.262 122.182 119.950 -0.049 0.000 2.250 328 F HA -0.278 4.249 4.527 0.000 0.000 0.301 328 F C 2.626 178.362 175.800 -0.107 0.000 1.077 328 F CA 1.774 59.750 58.000 -0.040 0.000 1.348 328 F CB -0.218 38.756 39.000 -0.044 0.000 1.040 328 F HN 0.259 nan 8.300 nan 0.000 0.509 329 Q N -1.372 118.286 119.800 -0.238 0.000 2.508 329 Q HA -0.198 4.142 4.340 0.000 0.000 0.214 329 Q C 1.122 176.762 176.000 -0.600 0.000 0.979 329 Q CA 1.579 57.102 55.803 -0.467 0.000 0.911 329 Q CB -0.887 27.498 28.738 -0.589 0.000 0.969 329 Q HN 0.514 nan 8.270 nan 0.000 0.504 330 F N 1.267 121.153 119.950 -0.106 0.000 2.678 330 F HA 0.190 4.717 4.527 0.000 0.000 0.305 330 F C 0.888 176.616 175.800 -0.120 0.000 1.090 330 F CA -0.638 57.312 58.000 -0.084 0.000 1.272 330 F CB 0.647 39.629 39.000 -0.031 0.000 1.060 330 F HN 0.027 nan 8.300 nan 0.000 0.576 331 S N 0.134 115.756 115.700 -0.131 0.000 2.585 331 S HA 0.718 5.188 4.470 0.000 0.000 0.273 331 S C 0.188 174.687 174.600 -0.168 0.000 1.339 331 S CA 0.075 58.171 58.200 -0.173 0.000 1.028 331 S CB 1.543 64.485 63.200 -0.429 0.000 0.906 331 S HN 0.257 nan 8.310 nan 0.000 0.528 332 G N -0.308 108.452 108.800 -0.067 0.000 2.619 332 G HA2 0.543 4.503 3.960 0.000 0.000 0.305 332 G HA3 0.543 4.503 3.960 0.000 0.000 0.305 332 G C -0.822 174.079 174.900 0.002 0.000 1.330 332 G CA -0.234 44.839 45.100 -0.045 0.000 0.789 332 G HN 1.563 nan 8.290 nan 0.000 0.487 333 V N 0.796 120.708 119.914 -0.003 0.000 2.546 333 V HA 0.637 4.757 4.120 0.000 0.000 0.284 333 V C 0.795 176.933 176.094 0.074 0.000 1.050 333 V CA 0.343 62.640 62.300 -0.004 0.000 0.981 333 V CB 0.799 32.561 31.823 -0.102 0.000 0.990 333 V HN 1.489 nan 8.190 nan 0.000 0.474 334 S N 5.971 121.762 115.700 0.151 0.000 2.596 334 S HA 0.438 4.908 4.470 0.000 0.000 0.260 334 S C -2.491 172.227 174.600 0.196 0.000 1.336 334 S CA -0.818 57.503 58.200 0.202 0.000 0.993 334 S CB 0.034 63.445 63.200 0.353 0.000 0.923 334 S HN 0.832 nan 8.310 nan 0.000 0.567 335 P HA 0.226 nan 4.420 nan 0.000 0.266 335 P C -2.372 175.006 177.300 0.130 0.000 1.195 335 P CA -0.938 62.217 63.100 0.091 0.000 0.768 335 P CB -0.524 31.175 31.700 -0.001 0.000 0.838 336 P HA 0.084 nan 4.420 nan 0.000 0.275 336 P C -0.205 177.114 177.300 0.032 0.000 1.228 336 P CA -0.317 62.779 63.100 -0.005 0.000 0.786 336 P CB 0.361 32.036 31.700 -0.042 0.000 0.927 337 F N 2.438 122.300 119.950 -0.147 0.000 2.548 337 F HA -0.092 4.435 4.527 0.000 0.000 0.403 337 F C 0.551 176.299 175.800 -0.086 0.000 1.004 337 F CA 0.603 58.540 58.000 -0.105 0.000 1.177 337 F CB 0.177 39.118 39.000 -0.099 0.000 0.974 337 F HN 0.226 nan 8.300 nan 0.000 0.541 338 D N 9.211 129.320 120.400 -0.485 0.000 2.405 338 D HA 0.217 4.857 4.640 0.000 0.000 0.264 338 D C -1.861 174.104 176.300 -0.559 0.000 1.240 338 D CA -1.964 51.748 54.000 -0.480 0.000 0.893 338 D CB 1.051 41.712 40.800 -0.232 0.000 1.198 338 D HN 0.178 nan 8.370 nan 0.000 0.514 339 P HA -0.166 nan 4.420 nan 0.000 0.218 339 P C 1.675 178.872 177.300 -0.172 0.000 1.148 339 P CA 0.266 63.064 63.100 -0.503 0.000 0.822 339 P CB 0.744 32.137 31.700 -0.511 0.000 0.784 340 L N 0.345 121.471 121.223 -0.161 0.000 2.027 340 L HA -0.053 4.287 4.340 0.000 0.000 0.206 340 L C 2.617 179.502 176.870 0.025 0.000 1.074 340 L CA 2.069 56.882 54.840 -0.045 0.000 0.745 340 L CB -1.670 40.360 42.059 -0.048 0.000 0.898 340 L HN -0.085 nan 8.230 nan 0.000 0.433 341 A N -0.496 122.330 122.820 0.010 0.000 1.883 341 A HA -0.216 4.104 4.320 0.000 0.000 0.217 341 A C 2.281 180.010 177.584 0.242 0.000 1.186 341 A CA 2.172 54.286 52.037 0.128 0.000 0.624 341 A CB -0.990 18.062 19.000 0.087 0.000 0.822 341 A HN 0.502 nan 8.150 nan 0.000 0.444 342 L N -1.036 120.254 121.223 0.112 0.000 2.012 342 L HA -0.234 4.106 4.340 0.000 0.000 0.210 342 L C 2.718 179.813 176.870 0.375 0.000 1.073 342 L CA 1.985 56.957 54.840 0.220 0.000 0.748 342 L CB -0.616 41.536 42.059 0.154 0.000 0.891 342 L HN 0.580 nan 8.230 nan 0.000 0.431 343 E N -0.364 119.999 120.200 0.271 0.000 2.085 343 E HA -0.247 4.103 4.350 0.000 0.000 0.194 343 E C 2.368 179.118 176.600 0.251 0.000 0.994 343 E CA 1.705 58.266 56.400 0.268 0.000 0.801 343 E CB -0.006 29.786 29.700 0.153 0.000 0.743 343 E HN 0.538 nan 8.360 nan 0.000 0.453 344 C N 0.167 119.595 119.300 0.213 0.000 2.413 344 C HA -0.163 4.297 4.460 0.000 0.000 0.276 344 C C 2.463 177.583 174.990 0.216 0.000 1.236 344 C CA 1.018 60.140 59.018 0.173 0.000 1.735 344 C CB -1.237 26.598 27.740 0.159 0.000 2.031 344 C HN 0.602 nan 8.230 nan 0.000 0.474 345 Y N 1.032 121.456 120.300 0.207 0.000 2.053 345 Y HA -0.282 4.268 4.550 0.000 0.000 0.277 345 Y C 2.807 178.794 175.900 0.145 0.000 1.159 345 Y CA 2.203 60.441 58.100 0.230 0.000 1.125 345 Y CB -0.762 37.828 38.460 0.217 0.000 0.969 345 Y HN 0.441 nan 8.280 nan 0.000 0.492 346 H N -0.350 119.011 119.070 0.485 0.000 2.456 346 H HA -0.153 4.403 4.556 0.000 0.000 0.296 346 H C 1.998 177.356 175.328 0.051 0.000 1.079 346 H CA 1.333 57.535 56.048 0.257 0.000 1.322 346 H CB -0.376 29.565 29.762 0.298 0.000 1.388 346 H HN 0.447 nan 8.280 nan 0.000 0.538 347 N N 1.018 119.801 118.700 0.138 0.000 2.148 347 N HA -0.067 4.673 4.740 0.000 0.000 0.186 347 N C 2.163 177.620 175.510 -0.089 0.000 1.031 347 N CA 0.446 53.512 53.050 0.027 0.000 0.848 347 N CB -0.125 38.381 38.487 0.032 0.000 1.005 347 N HN 0.248 nan 8.380 nan 0.000 0.427 348 L N 1.725 122.869 121.223 -0.132 0.000 2.046 348 L HA -0.164 4.176 4.340 0.000 0.000 0.208 348 L C 2.418 179.142 176.870 -0.244 0.000 1.077 348 L CA 1.321 55.999 54.840 -0.270 0.000 0.747 348 L CB -0.523 41.277 42.059 -0.433 0.000 0.896 348 L HN 0.321 nan 8.230 nan 0.000 0.432 349 K N -0.112 120.159 120.400 -0.215 0.000 2.293 349 K HA -0.259 4.061 4.320 0.000 0.000 0.204 349 K C 1.802 178.262 176.600 -0.234 0.000 1.045 349 K CA 1.930 58.124 56.287 -0.155 0.000 0.933 349 K CB -0.275 31.902 32.500 -0.538 0.000 0.736 349 K HN 0.240 nan 8.250 nan 0.000 0.463 350 M N 1.068 120.532 119.600 -0.226 0.000 2.441 350 M HA 0.110 4.590 4.480 0.000 0.000 0.244 350 M C 0.602 176.816 176.300 -0.143 0.000 1.122 350 M CA 0.291 55.485 55.300 -0.178 0.000 1.041 350 M CB 0.659 33.168 32.600 -0.151 0.000 1.438 350 M HN 0.035 nan 8.290 nan 0.000 0.484 351 R N -0.399 119.927 120.500 -0.290 0.000 2.480 351 R HA 0.273 4.613 4.340 0.000 0.000 0.277 351 R C -0.898 174.945 176.300 -0.763 0.000 1.008 351 R CA 0.117 55.899 56.100 -0.531 0.000 1.090 351 R CB -0.217 29.669 30.300 -0.690 0.000 1.234 351 R HN 0.193 nan 8.270 nan 0.000 0.549 352 F N 0.771 120.741 119.950 0.032 0.000 2.593 352 F HA 0.457 4.984 4.527 0.000 0.000 0.320 352 F C -1.938 173.907 175.800 0.076 0.000 1.060 352 F CA -3.041 55.010 58.000 0.085 0.000 0.940 352 F CB 0.643 39.779 39.000 0.226 0.000 1.268 352 F HN -0.176 nan 8.300 nan 0.000 0.475 353 P HA 0.111 nan 4.420 nan 0.000 0.269 353 P C 0.789 178.164 177.300 0.124 0.000 1.215 353 P CA -0.219 62.979 63.100 0.163 0.000 0.780 353 P CB 0.703 32.502 31.700 0.165 0.000 0.898 354 V N 0.434 120.403 119.914 0.091 0.000 2.453 354 V HA -0.128 3.992 4.120 0.000 0.000 0.252 354 V C 1.032 177.080 176.094 -0.077 0.000 1.068 354 V CA 2.502 64.816 62.300 0.024 0.000 1.070 354 V CB -1.104 30.763 31.823 0.074 0.000 0.664 354 V HN 0.875 nan 8.190 nan 0.000 0.461 355 A N -1.391 121.406 122.820 -0.039 0.000 2.586 355 A HA 0.708 5.028 4.320 0.000 0.000 0.290 355 A C -1.116 176.292 177.584 -0.294 0.000 1.086 355 A CA 0.155 52.045 52.037 -0.245 0.000 0.665 355 A CB 1.744 20.488 19.000 -0.427 0.000 1.279 355 A HN 0.791 nan 8.150 nan 0.000 0.423 356 V N -1.345 118.336 119.914 -0.387 0.000 3.078 356 V HA 0.895 5.015 4.120 0.000 0.000 0.311 356 V C 0.207 176.085 176.094 -0.360 0.000 1.138 356 V CA -0.125 62.020 62.300 -0.258 0.000 1.007 356 V CB 1.263 33.093 31.823 0.012 0.000 1.045 356 V HN 2.093 nan 8.190 nan 0.000 0.432 357 S N 1.796 117.398 115.700 -0.163 0.000 2.560 357 S HA 0.195 4.665 4.470 0.000 0.000 0.284 357 S C 1.267 175.827 174.600 -0.067 0.000 1.327 357 S CA 0.382 58.532 58.200 -0.084 0.000 1.055 357 S CB 1.024 64.255 63.200 0.053 0.000 0.868 357 S HN 2.057 nan 8.310 nan 0.000 0.506 358 S N 3.689 119.332 115.700 -0.094 0.000 2.441 358 S HA 0.164 4.634 4.470 0.000 0.000 0.224 358 S C 1.077 175.681 174.600 0.008 0.000 1.043 358 S CA -0.197 57.968 58.200 -0.058 0.000 0.948 358 S CB -0.295 62.739 63.200 -0.277 0.000 0.810 358 S HN 0.772 nan 8.310 nan 0.000 0.504 359 R N 1.741 122.224 120.500 -0.028 0.000 3.657 359 R HA 0.271 4.611 4.340 0.000 0.000 0.220 359 R C 0.624 176.920 176.300 -0.006 0.000 1.548 359 R CA 0.145 56.241 56.100 -0.007 0.000 1.465 359 R CB -0.012 30.258 30.300 -0.050 0.000 1.330 359 R HN 0.608 nan 8.270 nan 0.000 0.707 360 E N 0.728 120.931 120.200 0.004 0.000 2.145 360 E HA -0.013 4.337 4.350 0.000 0.000 0.199 360 E C -0.598 176.002 176.600 0.001 0.000 1.006 360 E CA -0.079 56.324 56.400 0.006 0.000 1.418 360 E CB -0.020 29.689 29.700 0.015 0.000 3.464 360 E HN 0.414 nan 8.360 nan 0.000 1.000 361 N N 0.000 118.697 118.700 -0.005 0.000 1.763 361 N HA 0.000 4.740 4.740 0.000 0.000 0.220 361 N CA 0.000 53.036 53.050 -0.023 0.000 0.885 361 N CB 0.000 38.462 38.487 -0.042 0.000 1.341 361 N HN 0.000 nan 8.380 nan 0.000 0.667