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 3fbh_1_J DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNKDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.584 177.584 -0.001 0.000 1.274 2 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 2 A CB 0.000 18.994 19.000 -0.009 0.000 0.831 3 A N 1.230 124.051 122.820 0.002 0.000 2.477 3 A HA 0.566 4.886 4.320 0.000 0.000 0.246 3 A C -0.096 177.492 177.584 0.006 0.000 1.078 3 A CA 0.275 52.317 52.037 0.009 0.000 0.770 3 A CB -0.004 19.003 19.000 0.012 0.000 1.011 3 A HN 0.522 nan 8.150 nan 0.000 0.494 4 K N 2.516 122.925 120.400 0.016 0.000 2.535 4 K HA 0.233 4.553 4.320 0.000 0.000 0.253 4 K C -1.435 175.193 176.600 0.047 0.000 0.953 4 K CA -0.529 55.766 56.287 0.014 0.000 0.863 4 K CB 1.766 34.272 32.500 0.010 0.000 1.111 4 K HN 0.790 nan 8.250 nan 0.000 0.431 5 D N 2.499 122.937 120.400 0.062 0.000 2.295 5 D HA 0.188 4.828 4.640 0.000 0.000 0.248 5 D C -0.748 175.691 176.300 0.231 0.000 1.154 5 D CA -0.341 53.749 54.000 0.150 0.000 0.857 5 D CB 0.846 41.773 40.800 0.211 0.000 1.117 5 D HN 0.063 nan 8.370 nan 0.000 0.468 6 V N 4.797 124.830 119.914 0.198 0.000 2.448 6 V HA 0.423 4.543 4.120 0.000 0.000 0.295 6 V C 0.297 176.439 176.094 0.080 0.000 1.025 6 V CA -0.813 61.563 62.300 0.126 0.000 0.859 6 V CB 1.600 33.474 31.823 0.084 0.000 0.988 6 V HN 0.416 nan 8.190 nan 0.000 0.431 7 K N 3.660 124.025 120.400 -0.057 0.000 2.259 7 K HA 0.780 5.100 4.320 0.000 0.000 0.249 7 K C -1.452 174.964 176.600 -0.306 0.000 0.942 7 K CA -0.425 55.771 56.287 -0.152 0.000 0.816 7 K CB 2.314 34.557 32.500 -0.428 0.000 1.155 7 K HN 0.479 nan 8.250 nan 0.000 0.428 8 F N -0.454 119.483 119.950 -0.023 0.000 2.654 8 F HA 0.441 4.968 4.527 0.000 0.000 0.334 8 F C 1.298 177.088 175.800 -0.016 0.000 1.078 8 F CA -0.233 57.765 58.000 -0.003 0.000 0.986 8 F CB 1.239 40.241 39.000 0.003 0.000 1.362 8 F HN 0.784 nan 8.300 nan 0.000 0.498 9 G N 1.244 110.178 108.800 0.225 0.000 2.629 9 G HA2 -0.436 3.524 3.960 0.000 0.000 0.335 9 G HA3 -0.436 3.524 3.960 0.000 0.000 0.335 9 G C 1.093 176.028 174.900 0.058 0.000 1.347 9 G CA 0.876 46.045 45.100 0.114 0.000 0.979 9 G HN 0.817 nan 8.290 nan 0.000 0.534 10 N N 0.656 119.378 118.700 0.037 0.000 2.223 10 N HA -0.134 4.606 4.740 0.000 0.000 0.185 10 N C 1.849 177.357 175.510 -0.004 0.000 1.016 10 N CA 2.028 55.086 53.050 0.015 0.000 0.863 10 N CB -0.363 38.129 38.487 0.009 0.000 0.983 10 N HN 0.569 nan 8.380 nan 0.000 0.429 11 D N 0.500 120.895 120.400 -0.010 0.000 2.106 11 D HA -0.131 4.509 4.640 0.000 0.000 0.191 11 D C 1.839 178.084 176.300 -0.092 0.000 0.997 11 D CA 1.857 55.825 54.000 -0.052 0.000 0.834 11 D CB -0.345 40.421 40.800 -0.057 0.000 0.956 11 D HN 0.344 nan 8.370 nan 0.000 0.448 12 A N 0.347 123.118 122.820 -0.083 0.000 1.883 12 A HA -0.197 4.123 4.320 0.000 0.000 0.217 12 A C 2.317 179.888 177.584 -0.022 0.000 1.186 12 A CA 1.733 53.719 52.037 -0.085 0.000 0.624 12 A CB -0.584 18.391 19.000 -0.041 0.000 0.822 12 A HN 0.241 nan 8.150 nan 0.000 0.444 13 R N -0.383 120.114 120.500 -0.006 0.000 2.091 13 R HA -0.152 4.188 4.340 0.000 0.000 0.238 13 R C 2.129 178.432 176.300 0.005 0.000 1.136 13 R CA 1.835 57.940 56.100 0.008 0.000 0.959 13 R CB -0.844 29.462 30.300 0.011 0.000 0.856 13 R HN 0.622 nan 8.270 nan 0.000 0.437 14 V N -0.575 119.334 119.914 -0.008 0.000 2.594 14 V HA -0.157 3.963 4.120 0.000 0.000 0.253 14 V C 1.904 177.996 176.094 -0.004 0.000 1.069 14 V CA 1.427 63.722 62.300 -0.008 0.000 1.082 14 V CB -0.368 31.445 31.823 -0.017 0.000 0.680 14 V HN 0.088 nan 8.190 nan 0.000 0.469 15 K N 0.148 120.543 120.400 -0.008 0.000 2.007 15 K HA 0.084 4.404 4.320 0.000 0.000 0.206 15 K C 2.256 178.888 176.600 0.053 0.000 1.047 15 K CA 1.860 58.160 56.287 0.021 0.000 0.937 15 K CB -0.584 31.928 32.500 0.021 0.000 0.718 15 K HN 0.480 nan 8.250 nan 0.000 0.438 16 M N 0.607 120.243 119.600 0.061 0.000 2.088 16 M HA -0.242 4.238 4.480 0.000 0.000 0.256 16 M C 2.284 178.604 176.300 0.033 0.000 1.071 16 M CA 1.470 56.802 55.300 0.053 0.000 1.097 16 M CB -0.494 32.134 32.600 0.046 0.000 1.315 16 M HN 0.049 nan 8.290 nan 0.000 0.406 17 L N 0.374 121.612 121.223 0.024 0.000 2.043 17 L HA -0.226 4.114 4.340 0.000 0.000 0.212 17 L C 2.429 179.309 176.870 0.016 0.000 1.075 17 L CA 1.955 56.805 54.840 0.017 0.000 0.752 17 L CB -0.653 41.413 42.059 0.012 0.000 0.891 17 L HN 0.168 nan 8.230 nan 0.000 0.432 18 R N -0.371 120.139 120.500 0.017 0.000 2.096 18 R HA -0.076 4.264 4.340 0.000 0.000 0.235 18 R C 2.196 178.507 176.300 0.018 0.000 1.127 18 R CA 1.567 57.677 56.100 0.015 0.000 0.968 18 R CB -1.110 29.199 30.300 0.016 0.000 0.861 18 R HN 0.480 nan 8.270 nan 0.000 0.440 19 G N -0.077 108.738 108.800 0.025 0.000 2.433 19 G HA2 -0.251 3.709 3.960 0.000 0.000 0.216 19 G HA3 -0.251 3.709 3.960 0.000 0.000 0.216 19 G C 1.423 176.332 174.900 0.015 0.000 1.186 19 G CA 1.284 46.398 45.100 0.023 0.000 0.779 19 G HN 0.354 nan 8.290 nan 0.000 0.543 20 V N -0.493 119.430 119.914 0.015 0.000 2.626 20 V HA -0.122 3.998 4.120 0.000 0.000 0.252 20 V C 2.264 178.363 176.094 0.009 0.000 1.067 20 V CA 2.029 64.335 62.300 0.011 0.000 1.081 20 V CB -0.586 31.244 31.823 0.013 0.000 0.686 20 V HN 0.204 nan 8.190 nan 0.000 0.468 21 N N 1.248 119.953 118.700 0.009 0.000 2.106 21 N HA -0.082 4.658 4.740 0.000 0.000 0.188 21 N C 1.910 177.423 175.510 0.005 0.000 1.029 21 N CA 1.859 54.913 53.050 0.007 0.000 0.848 21 N CB -0.694 37.797 38.487 0.006 0.000 1.007 21 N HN 0.485 nan 8.380 nan 0.000 0.423 22 V N 2.391 122.308 119.914 0.005 0.000 2.218 22 V HA -0.280 3.840 4.120 0.000 0.000 0.251 22 V C 2.516 178.610 176.094 0.001 0.000 1.057 22 V CA 1.850 64.152 62.300 0.003 0.000 1.022 22 V CB -0.991 30.835 31.823 0.005 0.000 0.645 22 V HN 0.217 nan 8.190 nan 0.000 0.451 23 L N 0.749 121.972 121.223 0.001 0.000 2.010 23 L HA -0.254 4.086 4.340 0.000 0.000 0.219 23 L C 2.399 179.268 176.870 -0.001 0.000 1.077 23 L CA 2.811 57.650 54.840 -0.001 0.000 0.773 23 L CB -1.297 40.761 42.059 -0.001 0.000 0.892 23 L HN 0.312 nan 8.230 nan 0.000 0.436 24 A N -0.970 121.850 122.820 0.001 0.000 1.858 24 A HA -0.228 4.092 4.320 0.000 0.000 0.216 24 A C 1.997 179.581 177.584 0.001 0.000 1.190 24 A CA 1.853 53.891 52.037 0.002 0.000 0.617 24 A CB -1.099 17.903 19.000 0.004 0.000 0.827 24 A HN 0.554 nan 8.150 nan 0.000 0.443 25 D N -0.000 120.400 120.400 0.001 0.000 2.182 25 D HA -0.041 4.599 4.640 0.000 0.000 0.201 25 D C 2.037 178.336 176.300 -0.001 0.000 0.986 25 D CA 1.431 55.431 54.000 0.000 0.000 0.847 25 D CB -0.253 40.548 40.800 0.001 0.000 0.942 25 D HN 0.452 nan 8.370 nan 0.000 0.467 26 A N -0.134 122.685 122.820 -0.002 0.000 1.968 26 A HA -0.042 4.278 4.320 0.000 0.000 0.217 26 A C 2.250 179.832 177.584 -0.004 0.000 1.169 26 A CA 0.847 52.882 52.037 -0.003 0.000 0.638 26 A CB -0.105 18.892 19.000 -0.004 0.000 0.812 26 A HN 0.174 nan 8.150 nan 0.000 0.446 27 V N 0.655 120.566 119.914 -0.004 0.000 2.949 27 V HA -0.119 4.001 4.120 0.000 0.000 0.245 27 V C 2.298 178.390 176.094 -0.003 0.000 1.086 27 V CA 1.582 63.879 62.300 -0.005 0.000 1.097 27 V CB -0.375 31.444 31.823 -0.006 0.000 0.762 27 V HN 0.803 nan 8.190 nan 0.000 0.470 28 K N 1.806 122.205 120.400 -0.002 0.000 2.283 28 K HA -0.101 4.219 4.320 0.000 0.000 0.202 28 K C 1.816 178.415 176.600 -0.001 0.000 1.048 28 K CA 1.743 58.029 56.287 -0.000 0.000 0.948 28 K CB -0.654 31.847 32.500 0.001 0.000 0.742 28 K HN 0.464 nan 8.250 nan 0.000 0.458 29 V N 0.075 119.988 119.914 -0.001 0.000 2.759 29 V HA -0.172 3.948 4.120 0.000 0.000 0.256 29 V C 2.335 178.428 176.094 -0.002 0.000 1.080 29 V CA 1.809 64.108 62.300 -0.001 0.000 1.101 29 V CB -1.182 30.640 31.823 -0.002 0.000 0.698 29 V HN 0.571 nan 8.190 nan 0.000 0.477 30 T N -2.211 112.341 114.554 -0.003 0.000 3.057 30 T HA 0.218 4.568 4.350 0.000 0.000 0.254 30 T C 0.664 175.362 174.700 -0.003 0.000 1.094 30 T CA -0.016 62.081 62.100 -0.004 0.000 1.088 30 T CB -0.227 68.637 68.868 -0.006 0.000 0.934 30 T HN 0.345 nan 8.240 nan 0.000 0.497 31 L N 2.625 123.847 121.223 -0.002 0.000 2.453 31 L HA 0.508 4.848 4.340 0.000 0.000 0.272 31 L C 0.811 177.682 176.870 0.001 0.000 1.182 31 L CA 1.682 56.522 54.840 -0.000 0.000 0.858 31 L CB -0.508 41.552 42.059 0.002 0.000 1.120 31 L HN 0.739 nan 8.230 nan 0.000 0.474 32 G N 3.928 112.728 108.800 -0.000 0.000 2.710 32 G HA2 -0.159 3.801 3.960 0.000 0.000 0.668 32 G HA3 -0.159 3.801 3.960 0.000 0.000 0.668 32 G C -2.120 172.777 174.900 -0.005 0.000 1.320 32 G CA -0.370 44.730 45.100 0.000 0.000 0.860 32 G HN 0.526 nan 8.290 nan 0.000 0.538 33 P HA 0.108 nan 4.420 nan 0.000 0.219 33 P C 1.051 178.345 177.300 -0.009 0.000 1.150 33 P CA 1.133 64.225 63.100 -0.015 0.000 0.814 33 P CB 0.162 31.846 31.700 -0.027 0.000 0.787 34 K N 0.412 120.811 120.400 -0.002 0.000 2.811 34 K HA 0.309 4.629 4.320 0.000 0.000 0.217 34 K C 0.847 177.448 176.600 0.002 0.000 1.115 34 K CA -0.120 56.168 56.287 0.002 0.000 1.179 34 K CB 0.126 32.631 32.500 0.009 0.000 0.994 34 K HN 0.061 nan 8.250 nan 0.000 0.464 35 G N 0.973 109.772 108.800 -0.001 0.000 2.606 35 G HA2 0.201 4.161 3.960 0.000 0.000 0.252 35 G HA3 0.201 4.161 3.960 0.000 0.000 0.252 35 G C -0.052 174.847 174.900 -0.002 0.000 1.206 35 G CA -0.464 44.635 45.100 -0.001 0.000 0.861 35 G HN 0.119 nan 8.290 nan 0.000 0.561 36 R N 0.012 120.511 120.500 -0.002 0.000 2.664 36 R HA 0.227 4.567 4.340 0.000 0.000 0.286 36 R C -0.358 175.940 176.300 -0.003 0.000 0.967 36 R CA -0.899 55.200 56.100 -0.002 0.000 0.933 36 R CB 1.230 31.529 30.300 -0.001 0.000 1.146 36 R HN 0.640 nan 8.270 nan 0.000 0.468 37 N N -0.070 118.628 118.700 -0.003 0.000 2.497 37 N HA 0.130 4.870 4.740 0.000 0.000 0.268 37 N C -0.704 174.804 175.510 -0.004 0.000 1.171 37 N CA -0.048 53.000 53.050 -0.003 0.000 0.948 37 N CB 0.925 39.411 38.487 -0.003 0.000 1.069 37 N HN 0.122 nan 8.380 nan 0.000 0.460 38 V N 3.103 123.014 119.914 -0.004 0.000 2.347 38 V HA 0.202 4.322 4.120 0.000 0.000 0.280 38 V C -0.086 176.005 176.094 -0.005 0.000 1.021 38 V CA -0.828 61.469 62.300 -0.005 0.000 0.847 38 V CB 1.487 33.307 31.823 -0.006 0.000 0.990 38 V HN 0.354 nan 8.190 nan 0.000 0.444 39 V N 7.035 126.947 119.914 -0.005 0.000 2.356 39 V HA 0.301 4.421 4.120 0.000 0.000 0.258 39 V C 0.106 176.197 176.094 -0.006 0.000 1.065 39 V CA -0.216 62.081 62.300 -0.004 0.000 0.935 39 V CB 0.539 32.360 31.823 -0.004 0.000 1.061 39 V HN 0.609 nan 8.190 nan 0.000 0.484 40 L N 3.992 125.212 121.223 -0.006 0.000 2.265 40 L HA 0.431 4.771 4.340 0.000 0.000 0.288 40 L C 0.197 177.063 176.870 -0.007 0.000 1.058 40 L CA -0.355 54.481 54.840 -0.007 0.000 0.809 40 L CB 1.094 43.149 42.059 -0.007 0.000 1.179 40 L HN 0.509 nan 8.230 nan 0.000 0.429 41 D N 3.700 124.094 120.400 -0.011 0.000 2.312 41 D HA 0.183 4.824 4.640 0.000 0.000 0.252 41 D C -0.467 175.823 176.300 -0.016 0.000 1.150 41 D CA -0.066 53.925 54.000 -0.015 0.000 0.870 41 D CB 0.824 41.611 40.800 -0.023 0.000 1.153 41 D HN 0.303 nan 8.370 nan 0.000 0.457 42 K N 1.372 121.767 120.400 -0.009 0.000 2.123 42 K HA 0.272 4.593 4.320 0.000 0.000 0.259 42 K C 1.149 177.721 176.600 -0.047 0.000 0.960 42 K CA -0.622 55.662 56.287 -0.004 0.000 0.872 42 K CB 1.357 33.880 32.500 0.038 0.000 1.079 42 K HN 0.345 nan 8.250 nan 0.000 0.440 43 S N 0.970 116.601 115.700 -0.115 0.000 2.453 43 S HA -0.004 4.466 4.470 0.000 0.000 0.231 43 S C 0.177 174.521 174.600 -0.426 0.000 1.005 43 S CA 0.550 58.566 58.200 -0.307 0.000 0.949 43 S CB -0.258 62.670 63.200 -0.453 0.000 0.774 43 S HN 0.376 nan 8.310 nan 0.000 0.510 44 F N 1.759 121.706 119.950 -0.004 0.000 2.467 44 F HA 0.659 5.186 4.527 0.000 0.000 0.336 44 F C 1.169 176.967 175.800 -0.004 0.000 1.123 44 F CA -0.145 57.853 58.000 -0.004 0.000 0.964 44 F CB 1.321 40.319 39.000 -0.003 0.000 1.136 44 F HN 0.335 nan 8.300 nan 0.000 0.447 45 G N 1.565 110.470 108.800 0.176 0.000 2.539 45 G HA2 0.079 4.039 3.960 0.000 0.000 0.256 45 G HA3 0.079 4.039 3.960 0.000 0.000 0.256 45 G C -0.457 174.478 174.900 0.058 0.000 1.233 45 G CA -0.449 44.710 45.100 0.099 0.000 0.936 45 G HN 1.160 nan 8.290 nan 0.000 0.571 46 A N 1.232 124.078 122.820 0.043 0.000 2.316 46 A HA 0.772 5.092 4.320 0.000 0.000 0.284 46 A C -1.729 175.869 177.584 0.024 0.000 1.115 46 A CA -0.365 51.688 52.037 0.026 0.000 0.812 46 A CB 0.392 19.404 19.000 0.020 0.000 1.064 46 A HN 0.665 nan 8.150 nan 0.000 0.489 47 P HA 0.318 nan 4.420 nan 0.000 0.274 47 P C -0.416 176.888 177.300 0.008 0.000 1.231 47 P CA -0.077 63.028 63.100 0.008 0.000 0.790 47 P CB 0.628 32.329 31.700 0.001 0.000 0.951 48 T N 2.319 116.877 114.554 0.006 0.000 2.817 48 T HA 0.444 4.794 4.350 0.000 0.000 0.293 48 T C 0.402 175.103 174.700 0.001 0.000 0.964 48 T CA -0.225 61.878 62.100 0.004 0.000 1.085 48 T CB -0.066 68.804 68.868 0.004 0.000 0.921 48 T HN 0.173 nan 8.240 nan 0.000 0.502 49 I N 2.654 123.224 120.570 0.000 0.000 2.339 49 I HA 0.521 4.691 4.170 0.000 0.000 0.290 49 I C 0.494 176.610 176.117 -0.003 0.000 0.994 49 I CA -0.506 60.793 61.300 -0.002 0.000 1.191 49 I CB 1.640 39.639 38.000 -0.001 0.000 1.343 49 I HN 0.550 nan 8.210 nan 0.000 0.458 50 T N 4.195 118.746 114.554 -0.004 0.000 2.883 50 T HA 0.419 4.769 4.350 0.000 0.000 0.301 50 T C -0.080 174.617 174.700 -0.006 0.000 1.158 50 T CA -0.633 61.463 62.100 -0.006 0.000 1.007 50 T CB 1.698 70.562 68.868 -0.007 0.000 1.186 50 T HN 0.688 nan 8.240 nan 0.000 0.499 51 K N 1.455 121.851 120.400 -0.007 0.000 2.438 51 K HA 0.212 4.532 4.320 0.000 0.000 0.205 51 K C -0.646 175.949 176.600 -0.009 0.000 1.033 51 K CA -0.315 55.967 56.287 -0.007 0.000 1.089 51 K CB 0.533 33.029 32.500 -0.007 0.000 0.857 51 K HN 0.461 nan 8.250 nan 0.000 0.522 52 D N 0.208 120.602 120.400 -0.011 0.000 2.316 52 D HA 0.102 4.742 4.640 0.000 0.000 0.245 52 D C 1.151 177.443 176.300 -0.014 0.000 1.171 52 D CA -0.109 53.883 54.000 -0.014 0.000 0.856 52 D CB 1.314 42.104 40.800 -0.016 0.000 1.090 52 D HN 0.194 nan 8.370 nan 0.000 0.476 53 G N 2.370 111.161 108.800 -0.014 0.000 2.559 53 G HA2 -0.134 3.826 3.960 0.000 0.000 0.216 53 G HA3 -0.134 3.826 3.960 0.000 0.000 0.216 53 G C 1.254 176.143 174.900 -0.018 0.000 1.126 53 G CA 0.380 45.471 45.100 -0.014 0.000 0.778 53 G HN 0.476 nan 8.290 nan 0.000 0.543 54 V N 0.256 120.156 119.914 -0.023 0.000 2.825 54 V HA -0.046 4.074 4.120 0.000 0.000 0.246 54 V C 2.877 178.954 176.094 -0.027 0.000 1.068 54 V CA 1.672 63.955 62.300 -0.029 0.000 1.088 54 V CB 0.134 31.935 31.823 -0.036 0.000 0.733 54 V HN 0.307 nan 8.190 nan 0.000 0.468 55 S N 0.355 116.041 115.700 -0.023 0.000 2.383 55 S HA -0.132 4.338 4.470 0.000 0.000 0.227 55 S C 2.036 176.625 174.600 -0.018 0.000 1.026 55 S CA 1.385 59.572 58.200 -0.021 0.000 0.981 55 S CB -0.042 63.148 63.200 -0.017 0.000 0.818 55 S HN 0.378 nan 8.310 nan 0.000 0.472 56 V N 2.084 121.988 119.914 -0.016 0.000 2.307 56 V HA -0.153 3.967 4.120 0.000 0.000 0.245 56 V C 2.649 178.734 176.094 -0.015 0.000 1.045 56 V CA 1.654 63.946 62.300 -0.014 0.000 1.024 56 V CB -1.221 30.595 31.823 -0.012 0.000 0.651 56 V HN 0.529 nan 8.190 nan 0.000 0.449 57 A N -0.387 122.422 122.820 -0.017 0.000 2.019 57 A HA -0.240 4.080 4.320 0.000 0.000 0.219 57 A C 2.411 179.982 177.584 -0.021 0.000 1.164 57 A CA 1.853 53.879 52.037 -0.019 0.000 0.644 57 A CB -0.574 18.413 19.000 -0.021 0.000 0.805 57 A HN 0.462 nan 8.150 nan 0.000 0.449 58 R N -0.421 120.065 120.500 -0.024 0.000 2.066 58 R HA -0.105 4.235 4.340 0.000 0.000 0.232 58 R C 1.498 177.784 176.300 -0.023 0.000 1.131 58 R CA 1.400 57.484 56.100 -0.026 0.000 0.955 58 R CB -0.160 30.123 30.300 -0.028 0.000 0.851 58 R HN 0.424 nan 8.270 nan 0.000 0.432 59 E N 0.436 120.624 120.200 -0.020 0.000 2.472 59 E HA -0.067 4.283 4.350 0.000 0.000 0.200 59 E C 0.250 176.840 176.600 -0.016 0.000 1.046 59 E CA 0.335 56.724 56.400 -0.017 0.000 0.871 59 E CB 0.075 29.766 29.700 -0.015 0.000 0.806 59 E HN 0.274 nan 8.360 nan 0.000 0.533 60 I N 1.866 122.426 120.570 -0.016 0.000 2.436 60 I HA 0.113 4.283 4.170 0.000 0.000 0.289 60 I C 0.359 176.468 176.117 -0.014 0.000 1.083 60 I CA 0.337 61.629 61.300 -0.013 0.000 1.372 60 I CB 0.238 38.231 38.000 -0.012 0.000 1.408 60 I HN -0.052 nan 8.210 nan 0.000 0.516 61 E N 7.276 127.468 120.200 -0.012 0.000 2.349 61 E HA 0.345 4.695 4.350 0.000 0.000 0.290 61 E C -1.745 174.850 176.600 -0.010 0.000 0.901 61 E CA -0.545 55.847 56.400 -0.013 0.000 0.800 61 E CB 1.628 31.319 29.700 -0.015 0.000 1.303 61 E HN 0.466 nan 8.360 nan 0.000 0.397 62 L N 3.996 125.215 121.223 -0.007 0.000 2.350 62 L HA 0.287 4.627 4.340 0.000 0.000 0.275 62 L C 1.628 178.498 176.870 -0.000 0.000 1.099 62 L CA -0.116 54.724 54.840 -0.000 0.000 0.808 62 L CB 1.313 43.376 42.059 0.007 0.000 1.149 62 L HN 0.760 nan 8.230 nan 0.000 0.442 63 E N 1.622 121.824 120.200 0.004 0.000 2.028 63 E HA -0.180 4.170 4.350 0.000 0.000 0.191 63 E C 0.529 177.136 176.600 0.013 0.000 0.988 63 E CA 0.560 56.962 56.400 0.004 0.000 0.799 63 E CB 0.234 29.938 29.700 0.006 0.000 0.755 63 E HN 0.655 nan 8.360 nan 0.000 0.447 64 D N 0.714 121.131 120.400 0.028 0.000 2.434 64 D HA -0.080 4.560 4.640 0.000 0.000 0.252 64 D C 0.778 177.107 176.300 0.048 0.000 1.185 64 D CA 0.094 54.129 54.000 0.058 0.000 0.886 64 D CB 0.908 41.753 40.800 0.075 0.000 1.148 64 D HN 0.047 nan 8.370 nan 0.000 0.483 65 K N 3.712 124.129 120.400 0.029 0.000 2.026 65 K HA -0.156 4.164 4.320 0.000 0.000 0.208 65 K C 2.060 178.597 176.600 -0.105 0.000 1.048 65 K CA 1.143 57.380 56.287 -0.083 0.000 0.929 65 K CB -0.441 31.941 32.500 -0.197 0.000 0.713 65 K HN 0.506 nan 8.250 nan 0.000 0.439 66 F N 2.008 121.946 119.950 -0.019 0.000 2.102 66 F HA -0.152 4.375 4.527 0.000 0.000 0.298 66 F C 2.413 178.202 175.800 -0.019 0.000 1.105 66 F CA 1.380 59.367 58.000 -0.023 0.000 1.239 66 F CB -0.437 38.548 39.000 -0.025 0.000 0.991 66 F HN 0.151 nan 8.300 nan 0.000 0.474 67 E N -0.204 120.100 120.200 0.174 0.000 2.153 67 E HA -0.234 4.116 4.350 0.000 0.000 0.194 67 E C 1.768 178.396 176.600 0.046 0.000 0.988 67 E CA 1.106 57.559 56.400 0.088 0.000 0.811 67 E CB -0.320 29.418 29.700 0.063 0.000 0.746 67 E HN 0.313 nan 8.360 nan 0.000 0.466 68 N N 1.054 119.770 118.700 0.026 0.000 2.028 68 N HA -0.169 4.571 4.740 0.000 0.000 0.194 68 N C 1.743 177.244 175.510 -0.016 0.000 1.050 68 N CA 1.542 54.589 53.050 -0.005 0.000 0.848 68 N CB -0.113 38.358 38.487 -0.026 0.000 1.038 68 N HN 0.030 nan 8.380 nan 0.000 0.423 69 M N -0.300 119.277 119.600 -0.038 0.000 2.089 69 M HA -0.150 4.330 4.480 0.000 0.000 0.257 69 M C 2.192 178.485 176.300 -0.012 0.000 1.071 69 M CA 2.065 57.340 55.300 -0.042 0.000 1.096 69 M CB -0.924 31.630 32.600 -0.077 0.000 1.330 69 M HN 0.359 nan 8.290 nan 0.000 0.403 70 G N -0.295 108.512 108.800 0.011 0.000 2.476 70 G HA2 -0.204 3.756 3.960 0.000 0.000 0.218 70 G HA3 -0.204 3.756 3.960 0.000 0.000 0.218 70 G C 1.573 176.480 174.900 0.012 0.000 1.164 70 G CA 1.171 46.284 45.100 0.021 0.000 0.768 70 G HN 0.594 nan 8.290 nan 0.000 0.560 71 A N -0.638 122.187 122.820 0.009 0.000 2.067 71 A HA 0.081 4.401 4.320 0.000 0.000 0.217 71 A C 2.347 179.928 177.584 -0.005 0.000 1.156 71 A CA 1.474 53.512 52.037 0.003 0.000 0.683 71 A CB -0.145 18.857 19.000 0.003 0.000 0.808 71 A HN 0.325 nan 8.150 nan 0.000 0.455 72 Q N -0.734 119.061 119.800 -0.009 0.000 2.245 72 Q HA 0.041 4.381 4.340 0.000 0.000 0.201 72 Q C 1.982 177.974 176.000 -0.014 0.000 0.955 72 Q CA 1.021 56.815 55.803 -0.015 0.000 0.870 72 Q CB -0.309 28.416 28.738 -0.022 0.000 0.945 72 Q HN 0.759 nan 8.270 nan 0.000 0.461 73 M N 0.069 119.665 119.600 -0.008 0.000 2.156 73 M HA -0.118 4.362 4.480 0.000 0.000 0.264 73 M C 2.244 178.545 176.300 0.001 0.000 1.067 73 M CA 1.266 56.565 55.300 -0.003 0.000 1.131 73 M CB -0.176 32.426 32.600 0.003 0.000 1.368 73 M HN 0.111 nan 8.290 nan 0.000 0.416 74 V N -2.095 117.821 119.914 0.003 0.000 2.488 74 V HA -0.124 3.996 4.120 0.000 0.000 0.246 74 V C 2.116 178.205 176.094 -0.009 0.000 1.046 74 V CA 1.399 63.702 62.300 0.005 0.000 1.053 74 V CB -1.002 30.827 31.823 0.010 0.000 0.679 74 V HN 0.392 nan 8.190 nan 0.000 0.458 75 K N 0.752 121.144 120.400 -0.013 0.000 2.015 75 K HA -0.328 3.992 4.320 0.000 0.000 0.216 75 K C 2.407 178.984 176.600 -0.038 0.000 1.052 75 K CA 2.537 58.809 56.287 -0.023 0.000 0.937 75 K CB -0.410 32.077 32.500 -0.022 0.000 0.719 75 K HN 0.691 nan 8.250 nan 0.000 0.446 76 E N 0.073 120.251 120.200 -0.036 0.000 2.118 76 E HA -0.161 4.189 4.350 0.000 0.000 0.195 76 E C 1.671 178.224 176.600 -0.078 0.000 0.992 76 E CA 1.397 57.767 56.400 -0.049 0.000 0.804 76 E CB 0.181 29.861 29.700 -0.034 0.000 0.741 76 E HN 0.223 nan 8.360 nan 0.000 0.458 77 V N 0.598 120.476 119.914 -0.060 0.000 3.129 77 V HA -0.018 4.102 4.120 0.000 0.000 0.259 77 V C 2.149 178.158 176.094 -0.141 0.000 1.116 77 V CA 1.126 63.373 62.300 -0.088 0.000 1.127 77 V CB 0.070 31.907 31.823 0.023 0.000 0.742 77 V HN 0.322 nan 8.190 nan 0.000 0.474 78 A N 0.795 123.562 122.820 -0.087 0.000 2.072 78 A HA -0.060 4.260 4.320 0.000 0.000 0.216 78 A C 2.388 179.903 177.584 -0.116 0.000 1.156 78 A CA 1.377 53.368 52.037 -0.076 0.000 0.701 78 A CB -0.302 18.678 19.000 -0.034 0.000 0.816 78 A HN 0.628 nan 8.150 nan 0.000 0.458 79 S N -0.345 115.274 115.700 -0.134 0.000 2.496 79 S HA 0.025 4.495 4.470 0.000 0.000 0.224 79 S C 1.571 176.057 174.600 -0.190 0.000 0.996 79 S CA 0.821 58.943 58.200 -0.130 0.000 0.927 79 S CB -0.157 62.984 63.200 -0.098 0.000 0.774 79 S HN 0.550 nan 8.310 nan 0.000 0.524 80 K N 1.222 121.427 120.400 -0.324 0.000 2.366 80 K HA 0.249 4.569 4.320 0.000 0.000 0.198 80 K C 2.221 178.541 176.600 -0.467 0.000 1.044 80 K CA 0.754 56.767 56.287 -0.457 0.000 0.973 80 K CB -0.257 31.786 32.500 -0.762 0.000 0.767 80 K HN 0.497 nan 8.250 nan 0.000 0.475 81 A N 1.221 123.813 122.820 -0.380 0.000 1.929 81 A HA -0.133 4.187 4.320 0.000 0.000 0.216 81 A C 1.765 179.320 177.584 -0.049 0.000 1.176 81 A CA 1.423 53.391 52.037 -0.115 0.000 0.628 81 A CB -0.396 18.594 19.000 -0.017 0.000 0.816 81 A HN 0.284 nan 8.150 nan 0.000 0.444 82 N N -0.793 117.857 118.700 -0.083 0.000 2.446 82 N HA -0.066 4.674 4.740 0.000 0.000 0.179 82 N C 0.802 176.266 175.510 -0.077 0.000 1.054 82 N CA 0.794 53.803 53.050 -0.068 0.000 0.905 82 N CB 0.073 38.515 38.487 -0.076 0.000 0.973 82 N HN 0.332 nan 8.380 nan 0.000 0.448 83 D N -0.342 120.014 120.400 -0.074 0.000 2.149 83 D HA 0.063 4.703 4.640 0.000 0.000 0.206 83 D C 1.578 177.890 176.300 0.019 0.000 0.967 83 D CA 0.783 54.754 54.000 -0.048 0.000 0.848 83 D CB -0.204 40.556 40.800 -0.066 0.000 0.998 83 D HN 0.284 nan 8.370 nan 0.000 0.474 84 A N -0.172 122.664 122.820 0.026 0.000 2.123 84 A HA 0.407 4.727 4.320 0.000 0.000 0.214 84 A C 1.826 179.468 177.584 0.097 0.000 1.152 84 A CA 1.426 53.509 52.037 0.075 0.000 0.728 84 A CB 0.147 19.212 19.000 0.109 0.000 0.814 84 A HN 0.207 nan 8.150 nan 0.000 0.464 85 A N -3.192 119.679 122.820 0.085 0.000 2.048 85 A HA 0.483 4.803 4.320 0.000 0.000 0.197 85 A C 1.775 179.421 177.584 0.103 0.000 1.486 85 A CA 1.059 53.153 52.037 0.094 0.000 1.029 85 A CB -0.112 18.932 19.000 0.074 0.000 1.101 85 A HN 1.711 nan 8.150 nan 0.000 0.470 86 G N -0.768 108.045 108.800 0.021 0.000 2.317 86 G HA2 -0.193 3.767 3.960 0.000 0.000 0.227 86 G HA3 -0.193 3.767 3.960 0.000 0.000 0.227 86 G C -0.119 174.746 174.900 -0.059 0.000 1.042 86 G CA 0.538 45.592 45.100 -0.078 0.000 0.623 86 G HN 0.903 nan 8.290 nan 0.000 0.509 87 D N -0.905 119.488 120.400 -0.012 0.000 2.964 87 D HA 0.611 5.251 4.640 0.000 0.000 0.234 87 D C 0.610 176.911 176.300 0.002 0.000 1.223 87 D CA 0.680 54.672 54.000 -0.012 0.000 0.889 87 D CB 1.040 41.839 40.800 -0.003 0.000 1.609 87 D HN 1.147 nan 8.370 nan 0.000 0.523 88 G N 1.684 110.481 108.800 -0.005 0.000 4.106 88 G HA2 -0.148 3.812 3.960 0.000 0.000 0.220 88 G HA3 -0.148 3.812 3.960 0.000 0.000 0.220 88 G C 1.036 175.935 174.900 -0.001 0.000 0.853 88 G CA 0.385 45.490 45.100 0.007 0.000 0.920 88 G HN 0.501 nan 8.290 nan 0.000 0.715 89 T N 1.713 116.256 114.554 -0.018 0.000 2.643 89 T HA -0.116 4.234 4.350 0.000 0.000 0.264 89 T C 2.680 177.373 174.700 -0.012 0.000 1.045 89 T CA 2.519 64.605 62.100 -0.024 0.000 1.155 89 T CB -0.666 68.181 68.868 -0.035 0.000 0.863 89 T HN 0.377 nan 8.240 nan 0.000 0.420 90 T N 2.066 116.614 114.554 -0.010 0.000 2.624 90 T HA -0.180 4.170 4.350 0.000 0.000 0.268 90 T C 2.199 176.900 174.700 0.003 0.000 1.041 90 T CA 1.999 64.097 62.100 -0.005 0.000 1.159 90 T CB -1.046 67.819 68.868 -0.005 0.000 0.863 90 T HN 0.415 nan 8.240 nan 0.000 0.434 91 T N 1.751 116.309 114.554 0.007 0.000 2.857 91 T HA 0.165 4.515 4.350 0.000 0.000 0.266 91 T C 2.499 177.212 174.700 0.021 0.000 1.048 91 T CA 0.902 63.011 62.100 0.014 0.000 1.139 91 T CB -0.570 68.309 68.868 0.018 0.000 0.874 91 T HN 0.472 nan 8.240 nan 0.000 0.455 92 A N 1.677 124.513 122.820 0.026 0.000 1.933 92 A HA -0.128 4.192 4.320 0.000 0.000 0.218 92 A C 2.528 180.130 177.584 0.030 0.000 1.175 92 A CA 2.031 54.092 52.037 0.040 0.000 0.628 92 A CB -1.269 17.760 19.000 0.047 0.000 0.814 92 A HN 0.482 nan 8.150 nan 0.000 0.444 93 T N 0.109 114.673 114.554 0.017 0.000 2.708 93 T HA -0.152 4.198 4.350 0.000 0.000 0.266 93 T C 2.012 176.720 174.700 0.013 0.000 1.037 93 T CA 2.106 64.213 62.100 0.012 0.000 1.146 93 T CB -0.969 67.901 68.868 0.004 0.000 0.865 93 T HN 0.720 nan 8.240 nan 0.000 0.435 94 V N 0.597 120.518 119.914 0.012 0.000 2.490 94 V HA -0.062 4.058 4.120 0.000 0.000 0.250 94 V C 2.263 178.366 176.094 0.014 0.000 1.061 94 V CA 1.414 63.721 62.300 0.011 0.000 1.064 94 V CB -1.198 30.630 31.823 0.009 0.000 0.670 94 V HN 0.432 nan 8.190 nan 0.000 0.461 95 L N 0.711 121.945 121.223 0.018 0.000 2.027 95 L HA -0.008 4.332 4.340 0.000 0.000 0.206 95 L C 3.077 179.960 176.870 0.022 0.000 1.074 95 L CA 1.705 56.558 54.840 0.021 0.000 0.745 95 L CB -0.927 41.148 42.059 0.027 0.000 0.898 95 L HN 0.417 nan 8.230 nan 0.000 0.433 96 A N -0.666 122.169 122.820 0.025 0.000 1.902 96 A HA -0.279 4.041 4.320 0.000 0.000 0.217 96 A C 2.272 179.867 177.584 0.019 0.000 1.181 96 A CA 1.799 53.851 52.037 0.025 0.000 0.623 96 A CB -0.581 18.436 19.000 0.029 0.000 0.818 96 A HN 0.492 nan 8.150 nan 0.000 0.443 97 Q N -0.530 119.279 119.800 0.016 0.000 2.050 97 Q HA -0.171 4.170 4.340 0.000 0.000 0.202 97 Q C 2.260 178.266 176.000 0.012 0.000 0.980 97 Q CA 1.704 57.514 55.803 0.012 0.000 0.840 97 Q CB -0.348 28.396 28.738 0.010 0.000 0.898 97 Q HN 0.610 nan 8.270 nan 0.000 0.424 98 A N 0.854 123.681 122.820 0.011 0.000 1.883 98 A HA -0.187 4.133 4.320 0.000 0.000 0.217 98 A C 1.971 179.561 177.584 0.011 0.000 1.186 98 A CA 1.602 53.645 52.037 0.010 0.000 0.624 98 A CB -0.735 18.271 19.000 0.010 0.000 0.822 98 A HN 0.494 nan 8.150 nan 0.000 0.444 99 I N -0.650 119.928 120.570 0.013 0.000 2.394 99 I HA -0.202 3.968 4.170 0.000 0.000 0.251 99 I C 2.181 178.306 176.117 0.013 0.000 1.136 99 I CA 1.050 62.357 61.300 0.013 0.000 1.425 99 I CB -0.326 37.683 38.000 0.015 0.000 1.079 99 I HN 0.284 nan 8.210 nan 0.000 0.425 100 I N 0.256 120.834 120.570 0.014 0.000 2.333 100 I HA -0.191 3.979 4.170 0.000 0.000 0.246 100 I C 2.557 178.681 176.117 0.011 0.000 1.106 100 I CA 1.258 62.566 61.300 0.014 0.000 1.411 100 I CB -0.532 37.477 38.000 0.015 0.000 1.082 100 I HN 0.161 nan 8.210 nan 0.000 0.420 101 T N 0.431 114.992 114.554 0.010 0.000 2.652 101 T HA -0.159 4.191 4.350 0.000 0.000 0.267 101 T C 1.766 176.471 174.700 0.007 0.000 1.039 101 T CA 1.324 63.429 62.100 0.008 0.000 1.153 101 T CB -0.201 68.671 68.868 0.007 0.000 0.863 101 T HN 0.280 nan 8.240 nan 0.000 0.428 102 E N 0.623 120.827 120.200 0.007 0.000 2.274 102 E HA 0.025 4.375 4.350 0.000 0.000 0.194 102 E C 2.455 179.059 176.600 0.007 0.000 0.996 102 E CA 0.725 57.129 56.400 0.007 0.000 0.840 102 E CB -0.595 29.109 29.700 0.007 0.000 0.772 102 E HN 0.584 nan 8.360 nan 0.000 0.491 103 G N 1.368 110.173 108.800 0.009 0.000 2.394 103 G HA2 -0.170 3.790 3.960 0.000 0.000 0.214 103 G HA3 -0.170 3.790 3.960 0.000 0.000 0.214 103 G C 1.711 176.617 174.900 0.010 0.000 1.176 103 G CA 0.204 45.310 45.100 0.009 0.000 0.786 103 G HN 0.153 nan 8.290 nan 0.000 0.533 104 L N 0.009 121.239 121.223 0.010 0.000 2.141 104 L HA -0.031 4.309 4.340 0.000 0.000 0.209 104 L C 2.907 179.782 176.870 0.008 0.000 1.094 104 L CA 0.969 55.815 54.840 0.010 0.000 0.763 104 L CB -0.371 41.694 42.059 0.010 0.000 0.908 104 L HN 0.192 nan 8.230 nan 0.000 0.437 105 K N 0.373 120.777 120.400 0.007 0.000 2.044 105 K HA -0.228 4.092 4.320 0.000 0.000 0.210 105 K C 2.189 178.793 176.600 0.006 0.000 1.049 105 K CA 1.799 58.090 56.287 0.006 0.000 0.927 105 K CB -0.251 32.252 32.500 0.005 0.000 0.713 105 K HN 0.318 nan 8.250 nan 0.000 0.443 106 A N 0.578 123.402 122.820 0.007 0.000 1.968 106 A HA -0.062 4.258 4.320 0.000 0.000 0.217 106 A C 2.275 179.864 177.584 0.007 0.000 1.169 106 A CA 1.012 53.053 52.037 0.007 0.000 0.638 106 A CB -0.292 18.712 19.000 0.007 0.000 0.812 106 A HN 0.081 nan 8.150 nan 0.000 0.446 107 V N -0.103 119.817 119.914 0.009 0.000 2.358 107 V HA -0.202 3.918 4.120 0.000 0.000 0.246 107 V C 3.002 179.102 176.094 0.010 0.000 1.047 107 V CA 1.754 64.061 62.300 0.011 0.000 1.035 107 V CB -1.137 30.695 31.823 0.013 0.000 0.658 107 V HN 0.574 nan 8.190 nan 0.000 0.452 108 A N 0.050 122.875 122.820 0.009 0.000 1.972 108 A HA -0.050 4.270 4.320 0.000 0.000 0.219 108 A C 2.350 179.937 177.584 0.006 0.000 1.169 108 A CA 1.818 53.859 52.037 0.007 0.000 0.635 108 A CB -0.572 18.431 19.000 0.006 0.000 0.810 108 A HN 0.562 nan 8.150 nan 0.000 0.446 109 A N -1.938 120.886 122.820 0.005 0.000 2.014 109 A HA 0.366 4.686 4.320 0.000 0.000 0.218 109 A C 1.796 179.382 177.584 0.004 0.000 1.163 109 A CA 1.666 53.706 52.037 0.004 0.000 0.652 109 A CB -0.558 18.445 19.000 0.004 0.000 0.808 109 A HN 1.777 nan 8.150 nan 0.000 0.449 110 G N -2.600 106.204 108.800 0.006 0.000 2.173 110 G HA2 -0.110 3.850 3.960 0.000 0.000 0.142 110 G HA3 -0.110 3.850 3.960 0.000 0.000 0.142 110 G C 0.077 174.981 174.900 0.006 0.000 1.019 110 G CA -0.021 45.082 45.100 0.006 0.000 0.699 110 G HN 0.265 nan 8.290 nan 0.000 0.495 111 M N 1.145 120.749 119.600 0.007 0.000 2.242 111 M HA 0.260 4.740 4.480 0.000 0.000 0.344 111 M C 0.625 176.930 176.300 0.008 0.000 1.140 111 M CA -0.463 54.841 55.300 0.007 0.000 1.160 111 M CB 0.522 33.126 32.600 0.006 0.000 1.491 111 M HN 0.161 nan 8.290 nan 0.000 0.459 112 N N 3.097 121.802 118.700 0.008 0.000 2.452 112 N HA 0.068 4.808 4.740 0.000 0.000 0.266 112 N C -2.130 173.386 175.510 0.010 0.000 1.209 112 N CA -1.055 52.000 53.050 0.009 0.000 0.929 112 N CB 1.165 39.657 38.487 0.008 0.000 1.063 112 N HN 0.303 nan 8.380 nan 0.000 0.472 113 P HA -0.079 nan 4.420 nan 0.000 0.215 113 P C 1.786 179.093 177.300 0.011 0.000 1.157 113 P CA 1.067 64.175 63.100 0.013 0.000 0.859 113 P CB 0.199 31.909 31.700 0.016 0.000 0.786 114 M N -0.205 119.402 119.600 0.011 0.000 2.089 114 M HA -0.206 4.274 4.480 0.000 0.000 0.257 114 M C 1.483 177.787 176.300 0.007 0.000 1.071 114 M CA 1.855 57.160 55.300 0.009 0.000 1.096 114 M CB -1.927 30.679 32.600 0.009 0.000 1.330 114 M HN -0.001 nan 8.290 nan 0.000 0.403 115 D N -0.073 120.331 120.400 0.007 0.000 2.183 115 D HA -0.009 4.631 4.640 0.000 0.000 0.203 115 D C 2.342 178.645 176.300 0.005 0.000 0.969 115 D CA 0.772 54.775 54.000 0.005 0.000 0.842 115 D CB -0.131 40.672 40.800 0.005 0.000 0.957 115 D HN 0.332 nan 8.370 nan 0.000 0.484 116 L N 0.807 122.034 121.223 0.006 0.000 2.017 116 L HA -0.167 4.173 4.340 0.000 0.000 0.208 116 L C 2.532 179.406 176.870 0.006 0.000 1.073 116 L CA 1.159 56.002 54.840 0.006 0.000 0.745 116 L CB -0.300 41.764 42.059 0.008 0.000 0.894 116 L HN -0.016 nan 8.230 nan 0.000 0.432 117 K N 0.395 120.799 120.400 0.006 0.000 2.009 117 K HA -0.252 4.068 4.320 0.000 0.000 0.210 117 K C 2.327 178.928 176.600 0.002 0.000 1.049 117 K CA 1.592 57.882 56.287 0.005 0.000 0.929 117 K CB -0.104 32.400 32.500 0.006 0.000 0.714 117 K HN 0.065 nan 8.250 nan 0.000 0.440 118 R N -0.288 120.213 120.500 0.002 0.000 2.091 118 R HA -0.118 4.222 4.340 0.000 0.000 0.238 118 R C 2.387 178.686 176.300 -0.001 0.000 1.136 118 R CA 1.704 57.804 56.100 -0.000 0.000 0.959 118 R CB -0.578 29.722 30.300 0.000 0.000 0.856 118 R HN 0.489 nan 8.270 nan 0.000 0.437 119 G N 0.662 109.463 108.800 0.001 0.000 2.418 119 G HA2 -0.238 3.722 3.960 0.000 0.000 0.217 119 G HA3 -0.238 3.722 3.960 0.000 0.000 0.217 119 G C 1.405 176.305 174.900 0.001 0.000 1.158 119 G CA 0.899 45.999 45.100 0.001 0.000 0.771 119 G HN 0.241 nan 8.290 nan 0.000 0.545 120 I N 0.980 121.551 120.570 0.001 0.000 2.142 120 I HA -0.151 4.019 4.170 0.000 0.000 0.240 120 I C 2.371 178.486 176.117 -0.003 0.000 1.078 120 I CA 1.306 62.607 61.300 0.001 0.000 1.343 120 I CB -0.336 37.665 38.000 0.003 0.000 1.046 120 I HN 0.032 nan 8.210 nan 0.000 0.405 121 D N 1.025 121.422 120.400 -0.005 0.000 2.133 121 D HA -0.244 4.396 4.640 0.000 0.000 0.192 121 D C 2.097 178.390 176.300 -0.011 0.000 1.001 121 D CA 1.460 55.453 54.000 -0.011 0.000 0.844 121 D CB -0.257 40.536 40.800 -0.011 0.000 0.944 121 D HN 0.291 nan 8.370 nan 0.000 0.447 122 K N 0.199 120.595 120.400 -0.007 0.000 2.155 122 K HA -0.002 4.318 4.320 0.000 0.000 0.203 122 K C 1.955 178.553 176.600 -0.004 0.000 1.052 122 K CA 0.884 57.168 56.287 -0.006 0.000 0.948 122 K CB 0.062 32.560 32.500 -0.003 0.000 0.728 122 K HN 0.025 nan 8.250 nan 0.000 0.448 123 A N 0.372 123.190 122.820 -0.003 0.000 1.930 123 A HA -0.082 4.238 4.320 0.000 0.000 0.217 123 A C 2.115 179.697 177.584 -0.003 0.000 1.175 123 A CA 1.267 53.304 52.037 -0.001 0.000 0.627 123 A CB -0.321 18.679 19.000 0.001 0.000 0.815 123 A HN 0.145 nan 8.150 nan 0.000 0.443 124 V N -0.503 119.407 119.914 -0.007 0.000 2.407 124 V HA -0.159 3.961 4.120 0.000 0.000 0.245 124 V C 2.700 178.785 176.094 -0.015 0.000 1.041 124 V CA 2.263 64.556 62.300 -0.011 0.000 1.040 124 V CB -1.086 30.726 31.823 -0.019 0.000 0.671 124 V HN 0.586 nan 8.190 nan 0.000 0.455 125 T N 0.788 115.332 114.554 -0.017 0.000 2.720 125 T HA -0.210 4.140 4.350 0.000 0.000 0.268 125 T C 2.030 176.724 174.700 -0.010 0.000 1.037 125 T CA 1.734 63.824 62.100 -0.017 0.000 1.144 125 T CB -0.413 68.446 68.868 -0.016 0.000 0.864 125 T HN 0.555 nan 8.240 nan 0.000 0.444 126 A N 1.357 124.173 122.820 -0.006 0.000 1.898 126 A HA 0.265 4.585 4.320 0.000 0.000 0.216 126 A C 2.676 180.260 177.584 -0.000 0.000 1.181 126 A CA 1.637 53.673 52.037 -0.002 0.000 0.620 126 A CB -1.091 17.909 19.000 -0.000 0.000 0.819 126 A HN 0.502 nan 8.150 nan 0.000 0.442 127 A N -0.380 122.440 122.820 -0.000 0.000 1.908 127 A HA -0.034 4.286 4.320 0.000 0.000 0.218 127 A C 2.219 179.804 177.584 0.002 0.000 1.181 127 A CA 1.888 53.926 52.037 0.003 0.000 0.627 127 A CB -0.967 18.035 19.000 0.003 0.000 0.818 127 A HN 0.405 nan 8.150 nan 0.000 0.445 128 V N -0.233 119.679 119.914 -0.003 0.000 2.343 128 V HA -0.243 3.877 4.120 0.000 0.000 0.247 128 V C 2.547 178.641 176.094 -0.000 0.000 1.051 128 V CA 2.377 64.675 62.300 -0.004 0.000 1.036 128 V CB -0.842 30.973 31.823 -0.013 0.000 0.654 128 V HN 0.542 nan 8.190 nan 0.000 0.451 129 E N 0.319 120.518 120.200 -0.001 0.000 2.023 129 E HA -0.243 4.107 4.350 0.000 0.000 0.196 129 E C 2.198 178.802 176.600 0.005 0.000 1.003 129 E CA 1.571 57.971 56.400 0.001 0.000 0.809 129 E CB -0.383 29.317 29.700 0.001 0.000 0.755 129 E HN 0.576 nan 8.360 nan 0.000 0.449 130 E N -0.383 119.821 120.200 0.007 0.000 2.267 130 E HA -0.162 4.189 4.350 0.000 0.000 0.197 130 E C 1.731 178.339 176.600 0.013 0.000 0.998 130 E CA 0.418 56.824 56.400 0.010 0.000 0.830 130 E CB -0.205 29.502 29.700 0.012 0.000 0.751 130 E HN 0.140 nan 8.360 nan 0.000 0.491 131 L N 0.493 121.722 121.223 0.011 0.000 2.056 131 L HA -0.105 4.235 4.340 0.000 0.000 0.207 131 L C 1.843 178.721 176.870 0.013 0.000 1.078 131 L CA 1.748 56.596 54.840 0.013 0.000 0.749 131 L CB -0.215 41.850 42.059 0.011 0.000 0.901 131 L HN -0.008 nan 8.230 nan 0.000 0.433 132 K N -0.868 119.538 120.400 0.010 0.000 2.026 132 K HA -0.139 4.181 4.320 0.000 0.000 0.208 132 K C 2.083 178.690 176.600 0.011 0.000 1.048 132 K CA 1.389 57.682 56.287 0.010 0.000 0.929 132 K CB -0.445 32.059 32.500 0.007 0.000 0.713 132 K HN 0.398 nan 8.250 nan 0.000 0.439 133 A N 1.499 124.326 122.820 0.011 0.000 1.940 133 A HA -0.158 4.162 4.320 0.000 0.000 0.219 133 A C 2.037 179.630 177.584 0.016 0.000 1.176 133 A CA 1.210 53.254 52.037 0.012 0.000 0.631 133 A CB -0.566 18.441 19.000 0.012 0.000 0.814 133 A HN 0.294 nan 8.150 nan 0.000 0.446 134 L N -0.435 120.798 121.223 0.018 0.000 2.478 134 L HA 0.030 4.370 4.340 0.000 0.000 0.223 134 L C 1.098 177.981 176.870 0.021 0.000 1.140 134 L CA 0.336 55.189 54.840 0.022 0.000 0.842 134 L CB -0.078 41.996 42.059 0.025 0.000 0.953 134 L HN 0.372 nan 8.230 nan 0.000 0.452 135 S N -0.075 115.635 115.700 0.018 0.000 2.481 135 S HA 0.199 4.669 4.470 0.000 0.000 0.276 135 S C -0.167 174.442 174.600 0.015 0.000 1.247 135 S CA -0.590 57.620 58.200 0.016 0.000 1.053 135 S CB 0.743 63.952 63.200 0.014 0.000 0.925 135 S HN 0.036 nan 8.310 nan 0.000 0.491 136 V N 9.003 128.926 119.914 0.016 0.000 2.432 136 V HA 0.321 4.441 4.120 0.000 0.000 0.271 136 V C -2.030 174.071 176.094 0.012 0.000 1.046 136 V CA -1.785 60.524 62.300 0.014 0.000 0.945 136 V CB 0.790 32.622 31.823 0.015 0.000 0.992 136 V HN 0.732 nan 8.190 nan 0.000 0.471 137 P HA 0.157 nan 4.420 nan 0.000 0.271 137 P C -0.608 176.696 177.300 0.007 0.000 1.218 137 P CA -0.258 62.847 63.100 0.008 0.000 0.780 137 P CB 0.510 32.214 31.700 0.007 0.000 0.901 138 C N 3.188 122.492 119.300 0.006 0.000 2.521 138 C HA 0.502 4.962 4.460 0.000 0.000 0.291 138 C C 1.119 176.110 174.990 0.002 0.000 1.074 138 C CA 0.179 59.199 59.018 0.004 0.000 1.495 138 C CB -1.331 26.412 27.740 0.005 0.000 1.862 138 C HN 0.558 nan 8.230 nan 0.000 0.418 139 S N 2.125 117.826 115.700 0.002 0.000 2.942 139 S HA 0.139 4.609 4.470 0.000 0.000 0.220 139 S C 0.243 174.843 174.600 0.000 0.000 0.945 139 S CA 0.169 58.369 58.200 0.001 0.000 0.851 139 S CB -0.216 62.985 63.200 0.002 0.000 0.820 139 S HN 0.946 nan 8.310 nan 0.000 0.624 140 D N 2.479 122.880 120.400 0.001 0.000 2.478 140 D HA 0.002 4.642 4.640 0.000 0.000 0.234 140 D C 0.986 177.286 176.300 -0.000 0.000 1.154 140 D CA 0.519 54.519 54.000 0.000 0.000 0.874 140 D CB 0.490 41.291 40.800 0.001 0.000 1.198 140 D HN 0.294 nan 8.370 nan 0.000 0.455 141 S N 0.873 116.572 115.700 -0.001 0.000 2.469 141 S HA -0.234 4.236 4.470 0.000 0.000 0.238 141 S C 1.575 176.175 174.600 -0.001 0.000 0.998 141 S CA 0.947 59.146 58.200 -0.002 0.000 0.957 141 S CB -0.310 62.889 63.200 -0.002 0.000 0.764 141 S HN 0.635 nan 8.310 nan 0.000 0.514 142 K N 1.729 122.129 120.400 -0.000 0.000 2.026 142 K HA -0.011 4.309 4.320 0.000 0.000 0.208 142 K C 2.292 178.893 176.600 0.001 0.000 1.048 142 K CA 1.230 57.517 56.287 0.000 0.000 0.929 142 K CB -0.577 31.924 32.500 0.001 0.000 0.713 142 K HN 0.449 nan 8.250 nan 0.000 0.439 143 A N 0.841 123.661 122.820 0.001 0.000 1.968 143 A HA -0.047 4.273 4.320 0.000 0.000 0.217 143 A C 1.965 179.550 177.584 0.001 0.000 1.169 143 A CA 1.031 53.069 52.037 0.002 0.000 0.638 143 A CB -0.378 18.623 19.000 0.003 0.000 0.812 143 A HN 0.335 nan 8.150 nan 0.000 0.446 144 I N -0.618 119.952 120.570 -0.000 0.000 2.546 144 I HA -0.155 4.015 4.170 0.000 0.000 0.255 144 I C 2.725 178.842 176.117 -0.001 0.000 1.163 144 I CA 0.791 62.090 61.300 -0.001 0.000 1.457 144 I CB -0.087 37.911 38.000 -0.003 0.000 1.092 144 I HN 0.345 nan 8.210 nan 0.000 0.434 145 A N 0.173 122.993 122.820 -0.001 0.000 1.903 145 A HA -0.132 4.188 4.320 0.000 0.000 0.213 145 A C 2.249 179.833 177.584 -0.000 0.000 1.185 145 A CA 0.805 52.842 52.037 -0.001 0.000 0.628 145 A CB -0.373 18.627 19.000 -0.001 0.000 0.830 145 A HN 0.349 nan 8.150 nan 0.000 0.446 146 Q N -0.233 119.567 119.800 0.000 0.000 2.061 146 Q HA -0.144 4.196 4.340 0.000 0.000 0.204 146 Q C 2.151 178.151 176.000 0.000 0.000 0.984 146 Q CA 1.818 57.621 55.803 -0.000 0.000 0.846 146 Q CB -0.402 28.336 28.738 0.001 0.000 0.902 146 Q HN 0.471 nan 8.270 nan 0.000 0.421 147 V N 0.437 120.352 119.914 0.001 0.000 2.295 147 V HA -0.200 3.920 4.120 0.000 0.000 0.246 147 V C 2.268 178.364 176.094 0.004 0.000 1.049 147 V CA 2.014 64.316 62.300 0.003 0.000 1.024 147 V CB -1.174 30.651 31.823 0.004 0.000 0.648 147 V HN 0.551 nan 8.190 nan 0.000 0.447 148 G N -0.787 108.015 108.800 0.003 0.000 2.450 148 G HA2 -0.236 3.724 3.960 0.000 0.000 0.220 148 G HA3 -0.236 3.724 3.960 0.000 0.000 0.220 148 G C 1.673 176.574 174.900 0.002 0.000 1.130 148 G CA 1.563 46.665 45.100 0.003 0.000 0.760 148 G HN 0.481 nan 8.290 nan 0.000 0.557 149 T N 1.233 115.787 114.554 0.001 0.000 2.770 149 T HA 0.001 4.351 4.350 0.000 0.000 0.263 149 T C 2.409 177.108 174.700 -0.002 0.000 1.039 149 T CA 0.884 62.983 62.100 -0.001 0.000 1.142 149 T CB -0.130 68.737 68.868 -0.002 0.000 0.868 149 T HN 0.270 nan 8.240 nan 0.000 0.435 150 I N 1.329 121.898 120.570 -0.002 0.000 2.179 150 I HA -0.147 4.023 4.170 0.000 0.000 0.242 150 I C 2.488 178.604 176.117 -0.002 0.000 1.088 150 I CA 0.994 62.292 61.300 -0.003 0.000 1.357 150 I CB -0.476 37.522 38.000 -0.004 0.000 1.051 150 I HN 0.156 nan 8.210 nan 0.000 0.409 151 S N 0.634 116.335 115.700 0.003 0.000 2.500 151 S HA -0.004 4.466 4.470 0.000 0.000 0.239 151 S C 1.440 176.043 174.600 0.006 0.000 0.989 151 S CA 1.058 59.262 58.200 0.007 0.000 0.951 151 S CB -0.155 63.053 63.200 0.013 0.000 0.759 151 S HN 0.546 nan 8.310 nan 0.000 0.523 152 A N 1.149 123.971 122.820 0.003 0.000 2.676 152 A HA 0.516 4.836 4.320 0.000 0.000 0.297 152 A C 0.421 178.004 177.584 -0.002 0.000 1.132 152 A CA -0.555 51.483 52.037 0.002 0.000 0.972 152 A CB -0.314 18.688 19.000 0.003 0.000 1.197 152 A HN 0.274 nan 8.150 nan 0.000 0.524 153 N N 0.116 118.814 118.700 -0.004 0.000 2.726 153 N HA -0.209 4.531 4.740 0.000 0.000 0.253 153 N C 0.389 175.894 175.510 -0.007 0.000 1.059 153 N CA 1.137 54.183 53.050 -0.007 0.000 0.701 153 N CB -1.703 36.780 38.487 -0.007 0.000 0.899 153 N HN 0.630 nan 8.380 nan 0.000 0.548 154 S N -1.840 113.856 115.700 -0.007 0.000 3.084 154 S HA -0.262 4.208 4.470 0.000 0.000 0.277 154 S C -0.196 174.400 174.600 -0.006 0.000 1.295 154 S CA 1.049 59.244 58.200 -0.008 0.000 1.170 154 S CB -1.109 62.086 63.200 -0.010 0.000 1.412 154 S HN 0.835 nan 8.310 nan 0.000 0.669 155 D N 1.445 121.842 120.400 -0.004 0.000 2.365 155 D HA 0.358 4.998 4.640 0.000 0.000 0.237 155 D C 1.005 177.303 176.300 -0.002 0.000 1.190 155 D CA -0.148 53.850 54.000 -0.003 0.000 0.867 155 D CB 0.571 41.370 40.800 -0.002 0.000 1.050 155 D HN 0.392 nan 8.370 nan 0.000 0.491 156 E N 1.371 121.570 120.200 -0.002 0.000 2.204 156 E HA -0.129 4.221 4.350 0.000 0.000 0.194 156 E C 1.510 178.109 176.600 -0.002 0.000 0.989 156 E CA 0.915 57.314 56.400 -0.002 0.000 0.824 156 E CB 0.141 29.840 29.700 -0.002 0.000 0.756 156 E HN 0.552 nan 8.360 nan 0.000 0.477 157 T N 1.191 115.744 114.554 -0.002 0.000 2.592 157 T HA -0.221 4.129 4.350 0.000 0.000 0.267 157 T C 2.144 176.844 174.700 -0.001 0.000 1.060 157 T CA 1.782 63.881 62.100 -0.001 0.000 1.167 157 T CB -0.533 68.334 68.868 -0.001 0.000 0.863 157 T HN 0.019 nan 8.240 nan 0.000 0.431 158 V N 1.486 121.400 119.914 -0.000 0.000 2.358 158 V HA -0.059 4.061 4.120 0.000 0.000 0.246 158 V C 2.950 179.045 176.094 0.001 0.000 1.047 158 V CA 1.875 64.176 62.300 0.001 0.000 1.035 158 V CB -1.514 30.311 31.823 0.002 0.000 0.658 158 V HN 0.647 nan 8.190 nan 0.000 0.452 159 G N -0.511 108.289 108.800 0.000 0.000 2.422 159 G HA2 -0.288 3.672 3.960 0.000 0.000 0.218 159 G HA3 -0.288 3.672 3.960 0.000 0.000 0.218 159 G C 1.653 176.552 174.900 -0.001 0.000 1.146 159 G CA 1.046 46.146 45.100 -0.000 0.000 0.769 159 G HN 0.477 nan 8.290 nan 0.000 0.547 160 K N -0.230 120.169 120.400 -0.001 0.000 2.002 160 K HA 0.053 4.373 4.320 0.000 0.000 0.209 160 K C 2.543 179.142 176.600 -0.002 0.000 1.048 160 K CA 0.843 57.129 56.287 -0.002 0.000 0.930 160 K CB -0.305 32.194 32.500 -0.002 0.000 0.714 160 K HN 0.294 nan 8.250 nan 0.000 0.438 161 L N 1.025 122.247 121.223 -0.002 0.000 1.990 161 L HA -0.270 4.070 4.340 0.000 0.000 0.213 161 L C 2.391 179.259 176.870 -0.003 0.000 1.072 161 L CA 1.566 56.405 54.840 -0.002 0.000 0.755 161 L CB -0.376 41.682 42.059 -0.001 0.000 0.889 161 L HN 0.285 nan 8.230 nan 0.000 0.432 162 I N -0.625 119.944 120.570 -0.003 0.000 2.208 162 I HA -0.316 3.854 4.170 0.000 0.000 0.245 162 I C 2.691 178.804 176.117 -0.006 0.000 1.097 162 I CA 1.229 62.526 61.300 -0.005 0.000 1.363 162 I CB -0.574 37.424 38.000 -0.003 0.000 1.051 162 I HN 0.255 nan 8.210 nan 0.000 0.413 163 A N 0.237 123.054 122.820 -0.005 0.000 2.019 163 A HA -0.197 4.123 4.320 0.000 0.000 0.219 163 A C 2.193 179.774 177.584 -0.005 0.000 1.164 163 A CA 1.556 53.590 52.037 -0.005 0.000 0.644 163 A CB -0.462 18.536 19.000 -0.003 0.000 0.805 163 A HN 0.484 nan 8.150 nan 0.000 0.449 164 E N -0.576 119.621 120.200 -0.005 0.000 2.122 164 E HA 0.052 4.402 4.350 0.000 0.000 0.190 164 E C 2.312 178.909 176.600 -0.006 0.000 0.977 164 E CA 0.621 57.018 56.400 -0.005 0.000 0.820 164 E CB -0.169 29.529 29.700 -0.004 0.000 0.770 164 E HN 0.603 nan 8.360 nan 0.000 0.462 165 A N 1.327 124.143 122.820 -0.007 0.000 1.898 165 A HA -0.140 4.180 4.320 0.000 0.000 0.216 165 A C 2.156 179.733 177.584 -0.011 0.000 1.181 165 A CA 1.170 53.202 52.037 -0.009 0.000 0.620 165 A CB -0.368 18.626 19.000 -0.010 0.000 0.819 165 A HN 0.112 nan 8.150 nan 0.000 0.442 166 M N -0.972 118.621 119.600 -0.011 0.000 2.319 166 M HA -0.104 4.376 4.480 0.000 0.000 0.265 166 M C 1.692 177.986 176.300 -0.009 0.000 1.068 166 M CA 1.514 56.806 55.300 -0.012 0.000 1.118 166 M CB -0.486 32.107 32.600 -0.013 0.000 1.395 166 M HN 0.374 nan 8.290 nan 0.000 0.435 167 D N 0.875 121.271 120.400 -0.008 0.000 2.144 167 D HA -0.131 4.509 4.640 0.000 0.000 0.199 167 D C 2.011 178.308 176.300 -0.006 0.000 0.984 167 D CA 1.165 55.162 54.000 -0.006 0.000 0.834 167 D CB 0.218 41.015 40.800 -0.005 0.000 0.955 167 D HN 0.051 nan 8.370 nan 0.000 0.465 168 K N -0.189 120.207 120.400 -0.007 0.000 2.007 168 K HA -0.034 4.286 4.320 0.000 0.000 0.206 168 K C 2.074 178.670 176.600 -0.007 0.000 1.047 168 K CA 1.323 57.606 56.287 -0.006 0.000 0.937 168 K CB -0.392 32.104 32.500 -0.006 0.000 0.718 168 K HN 0.259 nan 8.250 nan 0.000 0.438 169 V N -3.124 116.785 119.914 -0.008 0.000 3.644 169 V HA 0.362 4.482 4.120 0.000 0.000 0.267 169 V C 0.849 176.938 176.094 -0.009 0.000 1.277 169 V CA 0.278 62.572 62.300 -0.009 0.000 1.096 169 V CB -0.185 31.632 31.823 -0.010 0.000 0.828 169 V HN 0.392 nan 8.190 nan 0.000 0.446 170 G N 0.936 109.730 108.800 -0.010 0.000 2.525 170 G HA2 -0.126 3.834 3.960 0.000 0.000 0.685 170 G HA3 -0.126 3.834 3.960 0.000 0.000 0.685 170 G C -0.047 174.845 174.900 -0.012 0.000 1.290 170 G CA -0.084 45.010 45.100 -0.009 0.000 0.915 170 G HN 0.202 nan 8.290 nan 0.000 0.548 171 K N -0.082 120.312 120.400 -0.011 0.000 2.155 171 K HA 0.027 4.347 4.320 0.000 0.000 0.203 171 K C 1.862 178.451 176.600 -0.018 0.000 1.052 171 K CA 1.532 57.811 56.287 -0.013 0.000 0.948 171 K CB 0.053 32.547 32.500 -0.010 0.000 0.728 171 K HN 0.426 nan 8.250 nan 0.000 0.448 172 E N 0.560 120.751 120.200 -0.015 0.000 2.385 172 E HA 0.021 4.371 4.350 0.000 0.000 0.194 172 E C 0.961 177.550 176.600 -0.019 0.000 1.013 172 E CA 0.128 56.519 56.400 -0.015 0.000 0.866 172 E CB 0.065 29.759 29.700 -0.009 0.000 0.832 172 E HN 0.252 nan 8.360 nan 0.000 0.500 173 G N 1.412 110.201 108.800 -0.018 0.000 2.559 173 G HA2 0.163 4.123 3.960 0.000 0.000 0.235 173 G HA3 0.163 4.123 3.960 0.000 0.000 0.235 173 G C 0.177 175.062 174.900 -0.026 0.000 1.266 173 G CA -0.391 44.699 45.100 -0.018 0.000 0.847 173 G HN -0.053 nan 8.290 nan 0.000 0.583 174 V N 2.370 122.271 119.914 -0.023 0.000 2.488 174 V HA 0.325 4.445 4.120 0.000 0.000 0.277 174 V C 0.344 176.421 176.094 -0.029 0.000 1.046 174 V CA 0.108 62.390 62.300 -0.030 0.000 0.986 174 V CB 0.656 32.465 31.823 -0.023 0.000 0.989 174 V HN 0.490 nan 8.190 nan 0.000 0.475 175 I N 4.192 124.739 120.570 -0.037 0.000 2.478 175 I HA 0.418 4.588 4.170 0.000 0.000 0.287 175 I C -0.038 176.063 176.117 -0.027 0.000 1.042 175 I CA -0.176 61.106 61.300 -0.030 0.000 1.067 175 I CB 2.201 40.182 38.000 -0.030 0.000 1.233 175 I HN 0.497 nan 8.210 nan 0.000 0.431 176 T N 5.111 119.655 114.554 -0.017 0.000 2.895 176 T HA 0.554 4.904 4.350 0.000 0.000 0.283 176 T C -0.677 174.021 174.700 -0.003 0.000 1.014 176 T CA -0.633 61.462 62.100 -0.009 0.000 1.037 176 T CB 2.504 71.366 68.868 -0.010 0.000 1.006 176 T HN 0.347 nan 8.240 nan 0.000 0.468 177 V N 2.976 122.892 119.914 0.004 0.000 2.588 177 V HA 0.764 4.884 4.120 0.000 0.000 0.304 177 V C -0.764 175.333 176.094 0.005 0.000 1.042 177 V CA -0.540 61.763 62.300 0.005 0.000 0.877 177 V CB 1.354 33.183 31.823 0.009 0.000 0.996 177 V HN 1.074 nan 8.190 nan 0.000 0.425 178 E N 3.688 123.889 120.200 0.002 0.000 2.442 178 E HA 0.521 4.871 4.350 0.000 0.000 0.261 178 E C -1.432 175.168 176.600 0.001 0.000 0.935 178 E CA -1.118 55.283 56.400 0.002 0.000 0.856 178 E CB 1.043 30.743 29.700 -0.000 0.000 1.571 178 E HN 0.490 nan 8.360 nan 0.000 0.431 179 D N 0.118 120.518 120.400 0.000 0.000 2.443 179 D HA 0.280 4.920 4.640 0.000 0.000 0.239 179 D C 0.004 176.303 176.300 -0.002 0.000 1.136 179 D CA 0.534 54.533 54.000 -0.000 0.000 0.879 179 D CB 1.134 41.934 40.800 -0.001 0.000 1.195 179 D HN 0.545 nan 8.370 nan 0.000 0.443 180 G N -0.760 108.039 108.800 -0.002 0.000 2.491 180 G HA2 0.397 4.357 3.960 0.000 0.000 0.327 180 G HA3 0.397 4.357 3.960 0.000 0.000 0.327 180 G C 0.781 175.679 174.900 -0.002 0.000 1.189 180 G CA -0.465 44.633 45.100 -0.002 0.000 0.956 180 G HN 0.413 nan 8.290 nan 0.000 0.491 181 T N -3.162 111.391 114.554 -0.003 0.000 3.060 181 T HA 0.515 4.865 4.350 0.000 0.000 0.249 181 T C 0.881 175.579 174.700 -0.003 0.000 1.079 181 T CA 0.544 62.642 62.100 -0.003 0.000 1.013 181 T CB 0.242 69.108 68.868 -0.004 0.000 0.975 181 T HN 1.742 nan 8.240 nan 0.000 0.518 182 G N 0.834 109.632 108.800 -0.002 0.000 2.358 182 G HA2 0.342 4.302 3.960 0.000 0.000 0.301 182 G HA3 0.342 4.302 3.960 0.000 0.000 0.301 182 G C -1.202 173.697 174.900 -0.002 0.000 1.539 182 G CA -1.043 44.056 45.100 -0.002 0.000 0.893 182 G HN 0.236 nan 8.290 nan 0.000 0.636 183 L N 1.285 122.507 121.223 -0.002 0.000 3.131 183 L HA 0.112 4.452 4.340 0.000 0.000 0.307 183 L C -0.139 176.729 176.870 -0.002 0.000 1.045 183 L CA 1.741 56.580 54.840 -0.002 0.000 1.162 183 L CB -1.474 40.584 42.059 -0.002 0.000 1.596 183 L HN 0.770 nan 8.230 nan 0.000 0.411 184 Q N 2.693 122.492 119.800 -0.002 0.000 2.978 184 Q HA 0.127 4.467 4.340 0.000 0.000 0.207 184 Q C -1.513 174.486 176.000 -0.002 0.000 1.007 184 Q CA -0.615 55.187 55.803 -0.002 0.000 1.100 184 Q CB 1.128 29.865 28.738 -0.002 0.000 1.971 184 Q HN 0.525 nan 8.270 nan 0.000 0.536 185 D N 3.010 123.409 120.400 -0.002 0.000 2.304 185 D HA 0.225 4.865 4.640 0.000 0.000 0.250 185 D C -0.492 175.806 176.300 -0.003 0.000 1.107 185 D CA 0.246 54.245 54.000 -0.002 0.000 0.885 185 D CB 1.190 41.989 40.800 -0.002 0.000 1.192 185 D HN 0.330 nan 8.370 nan 0.000 0.436 186 E N 0.795 120.994 120.200 -0.003 0.000 2.288 186 E HA 0.552 4.902 4.350 0.000 0.000 0.268 186 E C -1.030 175.568 176.600 -0.004 0.000 0.885 186 E CA -0.996 55.401 56.400 -0.003 0.000 0.767 186 E CB 2.564 32.262 29.700 -0.004 0.000 1.220 186 E HN 0.071 nan 8.360 nan 0.000 0.427 187 L N 2.354 123.575 121.223 -0.004 0.000 2.441 187 L HA 0.436 4.776 4.340 0.000 0.000 0.270 187 L C -1.834 175.033 176.870 -0.005 0.000 0.973 187 L CA -0.248 54.589 54.840 -0.005 0.000 0.842 187 L CB 1.465 43.521 42.059 -0.005 0.000 1.239 187 L HN 0.446 nan 8.230 nan 0.000 0.406 188 D N 4.850 125.247 120.400 -0.006 0.000 2.386 188 D HA 0.244 4.884 4.640 0.000 0.000 0.247 188 D C -0.687 175.609 176.300 -0.006 0.000 1.336 188 D CA -0.171 53.825 54.000 -0.006 0.000 0.976 188 D CB 2.445 43.241 40.800 -0.006 0.000 1.257 188 D HN 0.213 nan 8.370 nan 0.000 0.570 189 V N 2.124 122.034 119.914 -0.006 0.000 2.485 189 V HA 0.158 4.278 4.120 0.000 0.000 0.287 189 V C 0.923 177.014 176.094 -0.006 0.000 1.022 189 V CA -0.140 62.156 62.300 -0.006 0.000 1.067 189 V CB 0.533 32.352 31.823 -0.005 0.000 0.967 189 V HN 0.349 nan 8.190 nan 0.000 0.479 190 V N 1.937 121.848 119.914 -0.005 0.000 3.046 190 V HA 0.637 4.757 4.120 0.000 0.000 0.316 190 V C -0.068 176.025 176.094 -0.003 0.000 1.104 190 V CA -1.129 61.167 62.300 -0.005 0.000 1.006 190 V CB 2.148 33.967 31.823 -0.007 0.000 1.058 190 V HN 0.662 nan 8.190 nan 0.000 0.440 191 E N 2.131 122.329 120.200 -0.003 0.000 2.161 191 E HA 0.438 4.788 4.350 0.000 0.000 0.263 191 E C 0.250 176.852 176.600 0.004 0.000 1.185 191 E CA 0.694 57.094 56.400 0.000 0.000 0.938 191 E CB 0.704 30.403 29.700 -0.001 0.000 1.023 191 E HN 1.051 nan 8.360 nan 0.000 0.433 192 G N 1.937 110.742 108.800 0.008 0.000 2.730 192 G HA2 0.739 4.699 3.960 0.000 0.000 0.289 192 G HA3 0.739 4.699 3.960 0.000 0.000 0.289 192 G C -0.948 173.968 174.900 0.028 0.000 1.341 192 G CA -0.632 44.477 45.100 0.015 0.000 0.932 192 G HN 0.377 nan 8.290 nan 0.000 0.481 193 M N 0.430 120.057 119.600 0.045 0.000 2.325 193 M HA 0.366 4.846 4.480 0.000 0.000 0.285 193 M C -1.742 174.616 176.300 0.097 0.000 1.119 193 M CA -0.530 54.816 55.300 0.078 0.000 0.959 193 M CB 2.600 35.263 32.600 0.104 0.000 1.737 193 M HN 0.636 nan 8.290 nan 0.000 0.486 194 Q N 4.026 123.876 119.800 0.083 0.000 2.353 194 Q HA 0.708 5.048 4.340 0.000 0.000 0.268 194 Q C -1.843 174.228 176.000 0.117 0.000 1.045 194 Q CA -0.657 55.156 55.803 0.016 0.000 0.811 194 Q CB 1.879 30.588 28.738 -0.048 0.000 1.305 194 Q HN 0.603 nan 8.270 nan 0.000 0.447 195 F N -0.085 119.863 119.950 -0.003 0.000 2.712 195 F HA 0.576 5.103 4.527 0.000 0.000 0.367 195 F C -0.303 175.496 175.800 -0.001 0.000 1.132 195 F CA -1.204 56.796 58.000 0.000 0.000 1.066 195 F CB 0.816 39.819 39.000 0.004 0.000 1.416 195 F HN 0.306 nan 8.300 nan 0.000 0.515 196 D N 1.548 122.086 120.400 0.231 0.000 3.139 196 D HA 0.225 4.865 4.640 0.000 0.000 0.268 196 D C -0.425 175.957 176.300 0.137 0.000 1.322 196 D CA 0.122 54.186 54.000 0.105 0.000 0.940 196 D CB -0.009 40.848 40.800 0.094 0.000 1.050 196 D HN 0.239 nan 8.370 nan 0.000 0.503 197 R N 0.223 120.795 120.500 0.120 0.000 2.515 197 R HA 0.520 4.860 4.340 0.000 0.000 0.291 197 R C 0.331 176.609 176.300 -0.037 0.000 1.046 197 R CA -0.659 55.525 56.100 0.139 0.000 0.914 197 R CB 2.102 32.654 30.300 0.419 0.000 1.191 197 R HN 0.156 nan 8.270 nan 0.000 0.435 198 G N 1.195 109.939 108.800 -0.093 0.000 2.568 198 G HA2 0.393 4.353 3.960 0.000 0.000 0.293 198 G HA3 0.393 4.353 3.960 0.000 0.000 0.293 198 G C -0.603 174.223 174.900 -0.123 0.000 1.347 198 G CA -0.535 44.424 45.100 -0.234 0.000 1.039 198 G HN 0.457 nan 8.290 nan 0.000 0.523 199 Y N -1.182 119.160 120.300 0.069 0.000 2.597 199 Y HA 0.297 4.847 4.550 0.000 0.000 0.336 199 Y C 1.285 177.283 175.900 0.165 0.000 1.216 199 Y CA -0.903 57.275 58.100 0.131 0.000 1.463 199 Y CB 0.396 38.982 38.460 0.210 0.000 1.303 199 Y HN 0.183 nan 8.280 nan 0.000 0.576 200 L N 1.529 122.994 121.223 0.404 0.000 2.376 200 L HA 0.019 4.359 4.340 0.000 0.000 0.219 200 L C 0.750 177.850 176.870 0.385 0.000 1.133 200 L CA 1.167 56.205 54.840 0.329 0.000 0.816 200 L CB -0.062 42.154 42.059 0.263 0.000 0.933 200 L HN 0.790 nan 8.230 nan 0.000 0.449 201 S N -2.408 113.605 115.700 0.522 0.000 2.535 201 S HA 0.427 4.897 4.470 0.000 0.000 0.272 201 S C -2.487 172.118 174.600 0.008 0.000 1.149 201 S CA -1.194 57.158 58.200 0.252 0.000 0.888 201 S CB 1.587 64.835 63.200 0.080 0.000 1.110 201 S HN -0.278 nan 8.310 nan 0.000 0.463 202 P HA 0.300 nan 4.420 nan 0.000 0.310 202 P C -0.122 176.859 177.300 -0.531 0.000 1.309 202 P CA 0.413 63.119 63.100 -0.657 0.000 0.753 202 P CB 0.013 31.296 31.700 -0.696 0.000 1.491 203 Y N -5.275 114.797 120.300 -0.381 0.000 4.138 203 Y HA -0.280 4.270 4.550 0.000 0.000 0.347 203 Y C 1.696 177.415 175.900 -0.303 0.000 1.116 203 Y CA 1.031 58.929 58.100 -0.336 0.000 2.132 203 Y CB -3.121 35.111 38.460 -0.380 0.000 0.967 203 Y HN 0.114 nan 8.280 nan 0.000 0.470 204 F N 0.118 120.040 119.950 -0.047 0.000 2.325 204 F HA 0.081 4.608 4.527 0.000 0.000 0.299 204 F C 1.461 177.207 175.800 -0.090 0.000 1.090 204 F CA 0.165 58.135 58.000 -0.051 0.000 1.392 204 F CB -0.440 38.535 39.000 -0.041 0.000 1.053 204 F HN -0.087 nan 8.300 nan 0.000 0.521 205 I N 2.586 123.126 120.570 -0.050 0.000 2.769 205 I HA -0.165 4.005 4.170 0.000 0.000 0.285 205 I C 0.666 176.771 176.117 -0.020 0.000 1.173 205 I CA 0.290 61.544 61.300 -0.077 0.000 1.389 205 I CB -0.113 37.770 38.000 -0.196 0.000 1.404 205 I HN 0.192 nan 8.210 nan 0.000 0.544 206 N N 5.035 123.745 118.700 0.016 0.000 2.325 206 N HA 0.023 4.763 4.740 0.000 0.000 0.182 206 N C -0.087 175.428 175.510 0.008 0.000 1.088 206 N CA 0.208 53.269 53.050 0.018 0.000 0.879 206 N CB 0.339 38.846 38.487 0.034 0.000 0.983 206 N HN 0.337 nan 8.380 nan 0.000 0.471 207 K N 1.341 121.745 120.400 0.006 0.000 2.473 207 K HA 0.253 4.573 4.320 0.000 0.000 0.246 207 K C -2.060 174.536 176.600 -0.007 0.000 1.011 207 K CA -1.699 54.590 56.287 0.003 0.000 0.984 207 K CB 2.305 34.812 32.500 0.011 0.000 1.250 207 K HN 0.020 nan 8.250 nan 0.000 0.454 208 P HA -0.085 nan 4.420 nan 0.000 0.220 208 P C 0.559 177.847 177.300 -0.019 0.000 1.152 208 P CA 0.996 64.081 63.100 -0.025 0.000 0.812 208 P CB 0.552 32.237 31.700 -0.025 0.000 0.792 209 E N 0.080 120.272 120.200 -0.013 0.000 2.097 209 E HA -0.153 4.197 4.350 0.000 0.000 0.196 209 E C 1.902 178.491 176.600 -0.018 0.000 1.000 209 E CA 2.452 58.844 56.400 -0.014 0.000 0.804 209 E CB -1.381 28.313 29.700 -0.010 0.000 0.740 209 E HN 0.416 nan 8.360 nan 0.000 0.454 210 T N -4.064 110.483 114.554 -0.012 0.000 3.015 210 T HA 0.329 4.679 4.350 0.000 0.000 0.250 210 T C 1.448 176.146 174.700 -0.003 0.000 1.057 210 T CA 0.133 62.224 62.100 -0.015 0.000 1.066 210 T CB 0.471 69.335 68.868 -0.008 0.000 0.959 210 T HN 0.304 nan 8.240 nan 0.000 0.488 211 G N 1.287 110.092 108.800 0.008 0.000 2.248 211 G HA2 0.241 4.201 3.960 0.000 0.000 0.252 211 G HA3 0.241 4.201 3.960 0.000 0.000 0.252 211 G C -0.029 174.935 174.900 0.107 0.000 1.085 211 G CA -0.203 44.916 45.100 0.031 0.000 0.845 211 G HN 1.192 nan 8.290 nan 0.000 0.494 212 A N -1.091 121.779 122.820 0.084 0.000 2.539 212 A HA 0.907 5.227 4.320 0.000 0.000 0.296 212 A C -0.240 177.399 177.584 0.091 0.000 1.073 212 A CA -0.291 51.827 52.037 0.135 0.000 0.700 212 A CB 1.980 21.035 19.000 0.092 0.000 1.296 212 A HN 1.378 nan 8.150 nan 0.000 0.405 213 V N 1.255 121.245 119.914 0.127 0.000 2.465 213 V HA 0.510 4.630 4.120 0.000 0.000 0.279 213 V C 0.182 176.312 176.094 0.061 0.000 1.045 213 V CA -0.207 62.148 62.300 0.091 0.000 0.938 213 V CB 1.153 33.050 31.823 0.124 0.000 0.986 213 V HN 0.899 nan 8.190 nan 0.000 0.467 214 E N 5.005 125.230 120.200 0.043 0.000 2.255 214 E HA 0.571 4.921 4.350 0.000 0.000 0.256 214 E C -1.729 174.885 176.600 0.023 0.000 0.887 214 E CA -0.591 55.826 56.400 0.027 0.000 0.782 214 E CB 1.343 31.056 29.700 0.021 0.000 1.214 214 E HN 0.668 nan 8.360 nan 0.000 0.417 215 L N 3.756 124.989 121.223 0.017 0.000 2.333 215 L HA 0.472 4.812 4.340 0.000 0.000 0.280 215 L C -0.157 176.713 176.870 0.001 0.000 1.004 215 L CA -0.745 54.103 54.840 0.013 0.000 0.820 215 L CB 1.866 43.934 42.059 0.015 0.000 1.247 215 L HN 0.487 nan 8.230 nan 0.000 0.416 216 E N 1.668 121.866 120.200 -0.002 0.000 2.197 216 E HA 0.289 4.639 4.350 0.000 0.000 0.281 216 E C -0.206 176.374 176.600 -0.033 0.000 0.995 216 E CA -0.437 55.953 56.400 -0.015 0.000 0.808 216 E CB 1.345 31.039 29.700 -0.011 0.000 1.093 216 E HN 0.615 nan 8.360 nan 0.000 0.394 217 S N 1.886 117.552 115.700 -0.056 0.000 3.608 217 S HA -0.120 4.350 4.470 0.000 0.000 0.382 217 S C -2.446 172.063 174.600 -0.152 0.000 0.945 217 S CA 0.006 58.143 58.200 -0.105 0.000 1.256 217 S CB -1.311 61.829 63.200 -0.099 0.000 0.913 217 S HN 0.422 nan 8.310 nan 0.000 0.518 218 P HA 0.611 nan 4.420 nan 0.000 0.282 218 P C -0.031 177.175 177.300 -0.156 0.000 1.259 218 P CA -0.707 62.348 63.100 -0.076 0.000 0.826 218 P CB 0.471 32.166 31.700 -0.008 0.000 1.064 219 F N 0.599 120.550 119.950 0.002 0.000 2.375 219 F HA 0.401 4.928 4.527 0.000 0.000 0.333 219 F C 0.786 176.587 175.800 0.001 0.000 1.104 219 F CA 0.043 58.044 58.000 0.002 0.000 1.149 219 F CB 0.506 39.506 39.000 0.000 0.000 1.190 219 F HN 0.028 nan 8.300 nan 0.000 0.533 220 I N 4.126 124.816 120.570 0.200 0.000 2.411 220 I HA 0.214 4.384 4.170 0.000 0.000 0.284 220 I C -1.124 175.048 176.117 0.092 0.000 1.012 220 I CA -0.726 60.640 61.300 0.111 0.000 1.119 220 I CB 1.576 39.618 38.000 0.070 0.000 1.261 220 I HN 0.303 nan 8.210 nan 0.000 0.448 221 L N 8.282 129.544 121.223 0.065 0.000 2.278 221 L HA 0.438 4.778 4.340 0.000 0.000 0.287 221 L C -0.922 175.960 176.870 0.020 0.000 1.072 221 L CA 0.223 55.084 54.840 0.036 0.000 0.819 221 L CB 0.382 42.454 42.059 0.021 0.000 1.176 221 L HN 0.454 nan 8.230 nan 0.000 0.435 222 L N 6.224 127.454 121.223 0.013 0.000 2.298 222 L HA 0.833 5.173 4.340 0.000 0.000 0.284 222 L C -0.209 176.656 176.870 -0.008 0.000 1.013 222 L CA -0.250 54.588 54.840 -0.004 0.000 0.824 222 L CB 1.456 43.509 42.059 -0.010 0.000 1.221 222 L HN 0.765 nan 8.230 nan 0.000 0.418 223 A N 1.678 124.491 122.820 -0.012 0.000 2.449 223 A HA 0.523 4.843 4.320 0.000 0.000 0.302 223 A C -1.184 176.392 177.584 -0.014 0.000 1.048 223 A CA -0.539 51.492 52.037 -0.010 0.000 0.708 223 A CB 1.569 20.567 19.000 -0.004 0.000 1.274 223 A HN 0.628 nan 8.150 nan 0.000 0.410 224 D N 1.534 121.926 120.400 -0.013 0.000 2.639 224 D HA 0.442 5.082 4.640 0.000 0.000 0.233 224 D C -0.140 176.158 176.300 -0.004 0.000 1.161 224 D CA 0.208 54.200 54.000 -0.013 0.000 1.003 224 D CB -0.515 40.275 40.800 -0.017 0.000 1.034 224 D HN 0.629 nan 8.370 nan 0.000 0.514 225 K N -0.488 119.912 120.400 0.001 0.000 2.772 225 K HA 0.286 4.606 4.320 0.000 0.000 0.292 225 K C -1.254 175.354 176.600 0.013 0.000 1.049 225 K CA -1.141 55.150 56.287 0.007 0.000 0.846 225 K CB 0.614 33.117 32.500 0.006 0.000 1.514 225 K HN -0.183 nan 8.250 nan 0.000 0.373 226 K N 1.851 122.261 120.400 0.017 0.000 2.250 226 K HA 0.310 4.630 4.320 0.000 0.000 0.280 226 K C -0.667 175.947 176.600 0.023 0.000 1.098 226 K CA -0.330 55.970 56.287 0.023 0.000 0.916 226 K CB 0.183 32.698 32.500 0.025 0.000 1.209 226 K HN 0.361 nan 8.250 nan 0.000 0.461 227 I N 2.526 123.111 120.570 0.025 0.000 2.278 227 I HA 0.004 4.174 4.170 0.000 0.000 0.296 227 I C 0.559 176.694 176.117 0.031 0.000 1.121 227 I CA 0.171 61.485 61.300 0.025 0.000 1.267 227 I CB 0.795 38.809 38.000 0.024 0.000 1.447 227 I HN 0.473 nan 8.210 nan 0.000 0.509 228 S N 3.850 119.566 115.700 0.027 0.000 2.572 228 S HA 0.245 4.715 4.470 0.000 0.000 0.228 228 S C 0.311 174.925 174.600 0.024 0.000 0.963 228 S CA -0.258 57.959 58.200 0.029 0.000 0.939 228 S CB -0.329 62.886 63.200 0.025 0.000 0.804 228 S HN 0.561 nan 8.310 nan 0.000 0.480 229 N N 0.773 119.486 118.700 0.022 0.000 2.295 229 N HA 0.403 5.143 4.740 0.000 0.000 0.293 229 N C -0.356 175.165 175.510 0.018 0.000 1.040 229 N CA -0.372 52.689 53.050 0.018 0.000 0.840 229 N CB 1.875 40.370 38.487 0.013 0.000 1.468 229 N HN 0.054 nan 8.380 nan 0.000 0.478 230 I N 1.791 122.372 120.570 0.018 0.000 3.793 230 I HA 0.096 4.266 4.170 0.000 0.000 0.315 230 I C 2.164 178.287 176.117 0.010 0.000 1.275 230 I CA 0.240 61.551 61.300 0.017 0.000 1.214 230 I CB 0.162 38.175 38.000 0.021 0.000 1.018 230 I HN 0.428 nan 8.210 nan 0.000 0.439 231 R N 0.931 121.436 120.500 0.008 0.000 2.075 231 R HA -0.169 4.171 4.340 0.000 0.000 0.232 231 R C 1.783 178.084 176.300 0.002 0.000 1.126 231 R CA 1.734 57.836 56.100 0.004 0.000 0.963 231 R CB -0.009 30.293 30.300 0.004 0.000 0.858 231 R HN 0.439 nan 8.270 nan 0.000 0.435 232 E N -0.385 119.817 120.200 0.003 0.000 2.274 232 E HA -0.108 4.242 4.350 0.000 0.000 0.194 232 E C 1.514 178.112 176.600 -0.003 0.000 0.996 232 E CA 0.704 57.104 56.400 0.000 0.000 0.840 232 E CB 0.137 29.839 29.700 0.003 0.000 0.772 232 E HN 0.356 nan 8.360 nan 0.000 0.491 233 M N 0.298 119.898 119.600 -0.000 0.000 2.561 233 M HA 0.090 4.570 4.480 0.000 0.000 0.238 233 M C 1.837 178.132 176.300 -0.009 0.000 1.131 233 M CA 0.512 55.810 55.300 -0.003 0.000 1.046 233 M CB -0.155 32.448 32.600 0.006 0.000 1.532 233 M HN 0.151 nan 8.290 nan 0.000 0.497 234 L N 1.258 122.476 121.223 -0.008 0.000 2.027 234 L HA -0.132 4.208 4.340 0.000 0.000 0.206 234 L C -0.151 176.707 176.870 -0.020 0.000 1.074 234 L CA 1.585 56.418 54.840 -0.011 0.000 0.745 234 L CB -2.056 39.998 42.059 -0.007 0.000 0.898 234 L HN 0.161 nan 8.230 nan 0.000 0.433 235 P HA -0.119 nan 4.420 nan 0.000 0.217 235 P C 1.813 179.086 177.300 -0.046 0.000 1.150 235 P CA 1.370 64.452 63.100 -0.030 0.000 0.832 235 P CB 0.056 31.741 31.700 -0.026 0.000 0.787 236 V N 0.142 120.028 119.914 -0.046 0.000 2.346 236 V HA -0.160 3.960 4.120 0.000 0.000 0.244 236 V C 2.794 178.841 176.094 -0.078 0.000 1.037 236 V CA 1.366 63.625 62.300 -0.068 0.000 1.029 236 V CB -1.286 30.507 31.823 -0.051 0.000 0.663 236 V HN -0.025 nan 8.190 nan 0.000 0.454 237 L N -0.152 121.042 121.223 -0.048 0.000 2.191 237 L HA -0.156 4.184 4.340 0.000 0.000 0.212 237 L C 2.465 179.309 176.870 -0.043 0.000 1.103 237 L CA 1.490 56.308 54.840 -0.038 0.000 0.769 237 L CB -0.518 41.533 42.059 -0.013 0.000 0.908 237 L HN 0.396 nan 8.230 nan 0.000 0.438 238 E N -0.158 120.015 120.200 -0.045 0.000 2.285 238 E HA -0.078 4.272 4.350 0.000 0.000 0.194 238 E C 2.255 178.818 176.600 -0.061 0.000 0.997 238 E CA 0.754 57.129 56.400 -0.041 0.000 0.845 238 E CB -0.012 29.669 29.700 -0.032 0.000 0.782 238 E HN 0.481 nan 8.360 nan 0.000 0.491 239 A N 0.790 123.554 122.820 -0.094 0.000 1.930 239 A HA -0.066 4.254 4.320 0.000 0.000 0.215 239 A C 2.378 179.840 177.584 -0.204 0.000 1.176 239 A CA 0.668 52.620 52.037 -0.142 0.000 0.632 239 A CB -0.241 18.656 19.000 -0.172 0.000 0.819 239 A HN 0.095 nan 8.150 nan 0.000 0.445 240 V N -0.074 119.721 119.914 -0.199 0.000 2.453 240 V HA -0.171 3.949 4.120 0.000 0.000 0.247 240 V C 3.005 179.072 176.094 -0.045 0.000 1.048 240 V CA 1.563 63.761 62.300 -0.171 0.000 1.049 240 V CB -1.198 30.564 31.823 -0.102 0.000 0.672 240 V HN 0.573 nan 8.190 nan 0.000 0.457 241 A N -0.031 122.768 122.820 -0.035 0.000 1.917 241 A HA -0.190 4.130 4.320 0.000 0.000 0.219 241 A C 1.475 179.058 177.584 -0.001 0.000 1.182 241 A CA 1.287 53.319 52.037 -0.007 0.000 0.633 241 A CB -0.374 18.619 19.000 -0.010 0.000 0.819 241 A HN 0.573 nan 8.150 nan 0.000 0.448 242 K N -2.255 118.133 120.400 -0.019 0.000 2.230 242 K HA 0.368 4.688 4.320 0.000 0.000 0.253 242 K C 1.164 177.778 176.600 0.024 0.000 1.008 242 K CA 0.240 56.524 56.287 -0.005 0.000 0.910 242 K CB 0.127 32.615 32.500 -0.020 0.000 0.994 242 K HN 0.775 nan 8.250 nan 0.000 0.495 243 A N 0.859 123.704 122.820 0.041 0.000 3.275 243 A HA -0.232 4.088 4.320 0.000 0.000 0.241 243 A C 1.140 178.771 177.584 0.078 0.000 0.607 243 A CA 1.839 53.921 52.037 0.075 0.000 1.181 243 A CB -2.388 16.694 19.000 0.137 0.000 1.304 243 A HN 1.672 nan 8.150 nan 0.000 0.682 244 G N -1.024 107.822 108.800 0.078 0.000 2.470 244 G HA2 -0.026 3.934 3.960 0.000 0.000 0.286 244 G HA3 -0.026 3.934 3.960 0.000 0.000 0.286 244 G C -0.412 174.542 174.900 0.091 0.000 1.115 244 G CA 1.096 46.237 45.100 0.069 0.000 1.122 244 G HN 1.197 nan 8.290 nan 0.000 0.522 245 K N 0.361 120.847 120.400 0.143 0.000 2.371 245 K HA 0.535 4.855 4.320 0.000 0.000 0.251 245 K C -2.277 174.421 176.600 0.163 0.000 0.934 245 K CA -2.216 54.163 56.287 0.154 0.000 0.798 245 K CB 2.600 35.228 32.500 0.215 0.000 1.204 245 K HN 0.058 nan 8.250 nan 0.000 0.427 246 P HA 0.003 nan 4.420 nan 0.000 0.276 246 P C -1.227 176.158 177.300 0.141 0.000 1.264 246 P CA -0.371 62.784 63.100 0.091 0.000 0.815 246 P CB 0.390 32.120 31.700 0.050 0.000 1.121 247 L N -0.502 120.778 121.223 0.095 0.000 2.513 247 L HA 0.619 4.959 4.340 0.000 0.000 0.261 247 L C -1.958 174.935 176.870 0.037 0.000 0.945 247 L CA -0.791 54.113 54.840 0.106 0.000 0.848 247 L CB 1.779 43.888 42.059 0.085 0.000 1.334 247 L HN 0.136 nan 8.230 nan 0.000 0.407 248 L N 5.008 126.258 121.223 0.044 0.000 2.346 248 L HA 0.754 5.094 4.340 0.000 0.000 0.274 248 L C -1.421 175.456 176.870 0.012 0.000 1.007 248 L CA -0.339 54.506 54.840 0.008 0.000 0.818 248 L CB 1.789 43.867 42.059 0.032 0.000 1.284 248 L HN 0.478 nan 8.230 nan 0.000 0.424 249 I N 6.590 127.149 120.570 -0.017 0.000 2.382 249 I HA 0.343 4.513 4.170 0.000 0.000 0.285 249 I C -0.433 175.693 176.117 0.015 0.000 1.007 249 I CA -0.270 61.027 61.300 -0.005 0.000 1.142 249 I CB 1.052 39.038 38.000 -0.024 0.000 1.289 249 I HN 0.534 nan 8.210 nan 0.000 0.453 250 I N 5.800 126.381 120.570 0.018 0.000 2.503 250 I HA 0.546 4.716 4.170 0.000 0.000 0.277 250 I C 0.435 176.543 176.117 -0.015 0.000 1.078 250 I CA -0.152 61.152 61.300 0.007 0.000 1.184 250 I CB 0.974 38.962 38.000 -0.021 0.000 1.353 250 I HN 0.630 nan 8.210 nan 0.000 0.490 251 A N 3.747 126.568 122.820 0.000 0.000 2.347 251 A HA 0.479 4.799 4.320 0.000 0.000 0.301 251 A C 1.012 178.599 177.584 0.005 0.000 1.163 251 A CA -0.487 51.549 52.037 -0.000 0.000 0.860 251 A CB 1.248 20.254 19.000 0.011 0.000 1.367 251 A HN 0.624 nan 8.150 nan 0.000 0.461 252 E N -0.692 119.513 120.200 0.009 0.000 2.038 252 E HA -0.171 4.179 4.350 0.000 0.000 0.195 252 E C -0.545 176.076 176.600 0.035 0.000 1.000 252 E CA 1.664 58.075 56.400 0.019 0.000 0.803 252 E CB 0.152 29.864 29.700 0.021 0.000 0.750 252 E HN 0.562 nan 8.360 nan 0.000 0.448 253 D N -1.372 119.050 120.400 0.038 0.000 2.812 253 D HA 0.133 4.773 4.640 0.000 0.000 0.210 253 D C -1.800 174.531 176.300 0.052 0.000 1.260 253 D CA -0.404 53.627 54.000 0.050 0.000 0.817 253 D CB 2.049 42.879 40.800 0.049 0.000 1.694 253 D HN -0.116 nan 8.370 nan 0.000 0.530 254 V N 3.632 123.586 119.914 0.068 0.000 2.328 254 V HA 0.477 4.597 4.120 0.000 0.000 0.278 254 V C 0.172 176.317 176.094 0.086 0.000 1.021 254 V CA -0.455 61.890 62.300 0.075 0.000 0.838 254 V CB 1.304 33.180 31.823 0.088 0.000 0.999 254 V HN 0.379 nan 8.190 nan 0.000 0.447 255 E N 2.535 122.776 120.200 0.068 0.000 2.299 255 E HA 0.670 5.020 4.350 0.000 0.000 0.265 255 E C 0.935 177.566 176.600 0.052 0.000 0.911 255 E CA -0.178 56.258 56.400 0.060 0.000 0.789 255 E CB 2.178 31.906 29.700 0.047 0.000 1.246 255 E HN 0.738 nan 8.360 nan 0.000 0.427 256 G N 2.005 110.832 108.800 0.045 0.000 2.699 256 G HA2 -0.476 3.484 3.960 0.000 0.000 0.347 256 G HA3 -0.476 3.484 3.960 0.000 0.000 0.347 256 G C 1.161 176.080 174.900 0.031 0.000 1.225 256 G CA 0.967 46.087 45.100 0.032 0.000 0.973 256 G HN 0.680 nan 8.290 nan 0.000 0.551 257 E N 1.214 121.429 120.200 0.025 0.000 2.058 257 E HA -0.128 4.222 4.350 0.000 0.000 0.194 257 E C 2.985 179.604 176.600 0.031 0.000 0.997 257 E CA 2.221 58.634 56.400 0.021 0.000 0.801 257 E CB -0.554 29.156 29.700 0.017 0.000 0.746 257 E HN 0.731 nan 8.360 nan 0.000 0.450 258 A N 0.777 123.621 122.820 0.040 0.000 1.929 258 A HA -0.117 4.203 4.320 0.000 0.000 0.216 258 A C 2.147 179.780 177.584 0.081 0.000 1.176 258 A CA 1.078 53.146 52.037 0.051 0.000 0.628 258 A CB -0.436 18.593 19.000 0.048 0.000 0.816 258 A HN 0.317 nan 8.150 nan 0.000 0.444 259 L N -0.776 120.503 121.223 0.092 0.000 2.179 259 L HA 0.174 4.514 4.340 0.000 0.000 0.208 259 L C 2.476 179.414 176.870 0.113 0.000 1.096 259 L CA 1.768 56.694 54.840 0.144 0.000 0.779 259 L CB -0.477 41.663 42.059 0.136 0.000 0.922 259 L HN 0.287 nan 8.230 nan 0.000 0.443 260 A N -1.416 121.434 122.820 0.051 0.000 1.898 260 A HA -0.094 4.226 4.320 0.000 0.000 0.214 260 A C 2.192 179.773 177.584 -0.006 0.000 1.183 260 A CA 1.849 53.886 52.037 -0.001 0.000 0.622 260 A CB -0.996 17.996 19.000 -0.013 0.000 0.824 260 A HN 0.456 nan 8.150 nan 0.000 0.444 261 T N 0.565 115.132 114.554 0.022 0.000 2.777 261 T HA -0.039 4.311 4.350 0.000 0.000 0.266 261 T C 1.830 176.561 174.700 0.051 0.000 1.040 261 T CA 1.293 63.406 62.100 0.022 0.000 1.141 261 T CB -0.357 68.526 68.868 0.024 0.000 0.868 261 T HN 0.317 nan 8.240 nan 0.000 0.444 262 L N 0.818 122.106 121.223 0.108 0.000 2.017 262 L HA -0.095 4.245 4.340 0.000 0.000 0.208 262 L C 2.656 179.674 176.870 0.248 0.000 1.073 262 L CA 1.002 55.962 54.840 0.201 0.000 0.745 262 L CB -0.672 41.556 42.059 0.281 0.000 0.894 262 L HN 0.128 nan 8.230 nan 0.000 0.432 263 V N -0.898 119.083 119.914 0.112 0.000 2.568 263 V HA -0.234 3.886 4.120 0.000 0.000 0.253 263 V C 2.194 178.195 176.094 -0.155 0.000 1.072 263 V CA 1.295 63.463 62.300 -0.220 0.000 1.084 263 V CB -0.121 31.478 31.823 -0.372 0.000 0.676 263 V HN 0.213 nan 8.190 nan 0.000 0.469 264 V N -0.085 119.781 119.914 -0.081 0.000 2.341 264 V HA -0.134 3.986 4.120 0.000 0.000 0.240 264 V C 2.038 178.119 176.094 -0.021 0.000 1.035 264 V CA 1.919 64.171 62.300 -0.079 0.000 1.033 264 V CB -0.734 31.046 31.823 -0.072 0.000 0.678 264 V HN 0.549 nan 8.190 nan 0.000 0.464 265 N N 0.654 119.363 118.700 0.014 0.000 2.149 265 N HA -0.200 4.540 4.740 0.000 0.000 0.188 265 N C 1.865 177.406 175.510 0.051 0.000 1.019 265 N CA 1.925 54.993 53.050 0.030 0.000 0.857 265 N CB -0.145 38.365 38.487 0.039 0.000 0.997 265 N HN 0.687 nan 8.380 nan 0.000 0.426 266 T N -1.008 113.600 114.554 0.091 0.000 2.942 266 T HA -0.035 4.315 4.350 0.000 0.000 0.265 266 T C 1.841 176.591 174.700 0.084 0.000 1.062 266 T CA 0.461 62.633 62.100 0.121 0.000 1.139 266 T CB -0.108 68.907 68.868 0.244 0.000 0.883 266 T HN 0.092 nan 8.240 nan 0.000 0.468 267 M N 0.400 120.027 119.600 0.046 0.000 2.296 267 M HA 0.130 4.610 4.480 0.000 0.000 0.265 267 M C 2.341 178.649 176.300 0.013 0.000 1.064 267 M CA 1.184 56.496 55.300 0.020 0.000 1.109 267 M CB -0.026 32.556 32.600 -0.029 0.000 1.396 267 M HN 0.139 nan 8.290 nan 0.000 0.430 268 R N -0.761 119.745 120.500 0.010 0.000 2.275 268 R HA 0.111 4.451 4.340 0.000 0.000 0.199 268 R C 1.235 177.543 176.300 0.014 0.000 0.989 268 R CA 0.694 56.797 56.100 0.006 0.000 1.016 268 R CB 0.133 30.433 30.300 -0.000 0.000 0.918 268 R HN 0.624 nan 8.270 nan 0.000 0.473 269 G N 1.227 110.042 108.800 0.025 0.000 2.194 269 G HA2 -0.248 3.712 3.960 0.000 0.000 0.236 269 G HA3 -0.248 3.712 3.960 0.000 0.000 0.236 269 G C 0.298 175.215 174.900 0.028 0.000 0.987 269 G CA -0.233 44.883 45.100 0.027 0.000 0.635 269 G HN 0.257 nan 8.290 nan 0.000 0.520 270 I N 2.027 122.613 120.570 0.027 0.000 2.472 270 I HA 0.361 4.531 4.170 0.000 0.000 0.305 270 I C 0.811 176.950 176.117 0.037 0.000 1.196 270 I CA -0.316 61.000 61.300 0.026 0.000 1.613 270 I CB -0.191 37.821 38.000 0.021 0.000 1.501 270 I HN 0.175 nan 8.210 nan 0.000 0.754 271 V N 3.983 123.920 119.914 0.039 0.000 3.585 271 V HA -0.218 3.902 4.120 0.000 0.000 0.489 271 V C 0.373 176.503 176.094 0.060 0.000 0.682 271 V CA 0.222 62.550 62.300 0.046 0.000 2.013 271 V CB -1.300 30.546 31.823 0.037 0.000 2.442 271 V HN 0.735 nan 8.190 nan 0.000 0.504 272 K N 4.014 124.451 120.400 0.063 0.000 2.361 272 K HA 0.449 4.769 4.320 0.000 0.000 0.283 272 K C -0.271 176.363 176.600 0.057 0.000 1.078 272 K CA 0.247 56.578 56.287 0.073 0.000 1.041 272 K CB 0.708 33.246 32.500 0.064 0.000 0.932 272 K HN 0.563 nan 8.250 nan 0.000 0.462 273 V N 2.215 122.162 119.914 0.056 0.000 2.604 273 V HA 0.737 4.857 4.120 0.000 0.000 0.305 273 V C -0.341 175.622 176.094 -0.218 0.000 1.043 273 V CA -1.155 61.129 62.300 -0.027 0.000 0.888 273 V CB 1.811 33.634 31.823 0.000 0.000 0.995 273 V HN 0.741 nan 8.190 nan 0.000 0.429 274 A N 3.362 125.985 122.820 -0.329 0.000 2.365 274 A HA 0.968 5.288 4.320 0.000 0.000 0.318 274 A C -0.259 177.007 177.584 -0.529 0.000 1.091 274 A CA -0.421 51.202 52.037 -0.689 0.000 0.763 274 A CB 1.652 20.462 19.000 -0.315 0.000 1.248 274 A HN 1.385 nan 8.150 nan 0.000 0.442 275 A N 1.430 123.834 122.820 -0.693 0.000 2.318 275 A HA 0.735 5.055 4.320 0.000 0.000 0.317 275 A C -0.332 177.234 177.584 -0.031 0.000 1.159 275 A CA -0.247 51.652 52.037 -0.230 0.000 0.799 275 A CB 0.799 19.731 19.000 -0.115 0.000 1.194 275 A HN 2.157 nan 8.150 nan 0.000 0.479 276 V N 0.022 119.962 119.914 0.043 0.000 2.925 276 V HA 0.604 4.724 4.120 0.000 0.000 0.311 276 V C -0.297 175.872 176.094 0.126 0.000 1.104 276 V CA -1.192 61.182 62.300 0.124 0.000 0.954 276 V CB 1.404 33.338 31.823 0.185 0.000 1.022 276 V HN 0.862 nan 8.190 nan 0.000 0.427 277 K N 1.698 122.181 120.400 0.138 0.000 2.187 277 K HA 0.668 4.988 4.320 0.000 0.000 0.247 277 K C 0.267 176.904 176.600 0.062 0.000 1.019 277 K CA 0.228 56.574 56.287 0.098 0.000 0.893 277 K CB 0.967 33.524 32.500 0.096 0.000 1.025 277 K HN 1.103 nan 8.250 nan 0.000 0.500 278 A N 2.804 125.624 122.820 -0.000 0.000 2.301 278 A HA 0.376 4.696 4.320 0.000 0.000 0.298 278 A C -2.321 175.221 177.584 -0.069 0.000 1.185 278 A CA -1.628 50.352 52.037 -0.096 0.000 0.830 278 A CB 0.177 19.134 19.000 -0.072 0.000 1.112 278 A HN 0.356 nan 8.150 nan 0.000 0.508 279 P HA 0.355 nan 4.420 nan 0.000 0.270 279 P C 1.087 178.397 177.300 0.017 0.000 1.223 279 P CA 1.373 64.448 63.100 -0.043 0.000 0.785 279 P CB 0.491 32.110 31.700 -0.134 0.000 0.923 280 G N 0.722 109.583 108.800 0.102 0.000 2.581 280 G HA2 -0.092 3.868 3.960 0.000 0.000 0.289 280 G HA3 -0.092 3.868 3.960 0.000 0.000 0.289 280 G C -0.625 174.431 174.900 0.260 0.000 1.303 280 G CA 0.533 45.748 45.100 0.193 0.000 0.931 280 G HN 0.724 nan 8.290 nan 0.000 0.555 281 F N -2.964 116.992 119.950 0.011 0.000 2.713 281 F HA 0.682 5.209 4.527 0.000 0.000 0.311 281 F C 1.023 176.831 175.800 0.013 0.000 1.141 281 F CA 0.321 58.330 58.000 0.013 0.000 0.939 281 F CB 0.889 39.903 39.000 0.024 0.000 1.325 281 F HN 2.348 nan 8.300 nan 0.000 0.453 282 G N 1.784 110.576 108.800 -0.014 0.000 2.634 282 G HA2 -0.379 3.581 3.960 0.000 0.000 0.318 282 G HA3 -0.379 3.581 3.960 0.000 0.000 0.318 282 G C 0.451 175.251 174.900 -0.167 0.000 1.207 282 G CA 1.068 46.100 45.100 -0.113 0.000 0.987 282 G HN 0.855 nan 8.290 nan 0.000 0.547 283 D N 0.681 120.941 120.400 -0.233 0.000 2.162 283 D HA 0.042 4.682 4.640 0.000 0.000 0.203 283 D C 2.498 178.696 176.300 -0.170 0.000 0.967 283 D CA 1.500 55.403 54.000 -0.161 0.000 0.840 283 D CB -0.266 40.453 40.800 -0.134 0.000 0.972 283 D HN 0.661 nan 8.370 nan 0.000 0.482 284 R N 1.053 121.404 120.500 -0.248 0.000 2.153 284 R HA 0.055 4.395 4.340 0.000 0.000 0.218 284 R C 2.100 178.312 176.300 -0.148 0.000 1.072 284 R CA 0.675 56.658 56.100 -0.195 0.000 0.990 284 R CB -0.175 29.990 30.300 -0.225 0.000 0.889 284 R HN 0.012 nan 8.270 nan 0.000 0.452 285 R N 1.560 121.970 120.500 -0.151 0.000 2.082 285 R HA -0.143 4.197 4.340 0.000 0.000 0.234 285 R C 1.547 177.793 176.300 -0.090 0.000 1.136 285 R CA 2.154 58.199 56.100 -0.091 0.000 0.935 285 R CB -0.225 30.049 30.300 -0.044 0.000 0.842 285 R HN 0.302 nan 8.270 nan 0.000 0.430 286 K N 0.266 120.617 120.400 -0.082 0.000 2.113 286 K HA -0.132 4.188 4.320 0.000 0.000 0.208 286 K C 2.186 178.743 176.600 -0.072 0.000 1.047 286 K CA 1.579 57.825 56.287 -0.069 0.000 0.928 286 K CB -0.260 32.206 32.500 -0.058 0.000 0.716 286 K HN 0.308 nan 8.250 nan 0.000 0.446 287 A N 1.376 124.148 122.820 -0.079 0.000 1.933 287 A HA -0.108 4.212 4.320 0.000 0.000 0.218 287 A C 2.084 179.623 177.584 -0.075 0.000 1.175 287 A CA 1.379 53.373 52.037 -0.073 0.000 0.628 287 A CB -0.403 18.550 19.000 -0.078 0.000 0.814 287 A HN 0.202 nan 8.150 nan 0.000 0.444 288 M N -0.886 118.660 119.600 -0.090 0.000 2.492 288 M HA 0.098 4.578 4.480 0.000 0.000 0.262 288 M C 1.749 177.974 176.300 -0.124 0.000 1.090 288 M CA 0.622 55.860 55.300 -0.102 0.000 1.110 288 M CB -0.218 32.313 32.600 -0.115 0.000 1.407 288 M HN 0.356 nan 8.290 nan 0.000 0.470 289 L N -0.241 120.913 121.223 -0.114 0.000 2.156 289 L HA -0.188 4.152 4.340 0.000 0.000 0.208 289 L C 2.544 179.370 176.870 -0.074 0.000 1.095 289 L CA 0.917 55.693 54.840 -0.107 0.000 0.770 289 L CB -0.323 41.685 42.059 -0.086 0.000 0.914 289 L HN 0.269 nan 8.230 nan 0.000 0.439 290 Q N 0.270 120.034 119.800 -0.061 0.000 2.123 290 Q HA -0.189 4.151 4.340 0.000 0.000 0.199 290 Q C 1.542 177.517 176.000 -0.041 0.000 0.966 290 Q CA 1.502 57.279 55.803 -0.044 0.000 0.845 290 Q CB -0.086 28.629 28.738 -0.039 0.000 0.907 290 Q HN 0.303 nan 8.270 nan 0.000 0.439 291 D N -0.646 119.724 120.400 -0.050 0.000 2.271 291 D HA -0.130 4.510 4.640 0.000 0.000 0.207 291 D C 1.189 177.469 176.300 -0.033 0.000 0.983 291 D CA 1.082 55.058 54.000 -0.040 0.000 0.878 291 D CB 0.081 40.853 40.800 -0.047 0.000 0.920 291 D HN 0.434 nan 8.370 nan 0.000 0.479 292 I N -0.787 119.755 120.570 -0.047 0.000 3.526 292 I HA 0.109 4.279 4.170 0.000 0.000 0.294 292 I C 2.206 178.314 176.117 -0.015 0.000 1.229 292 I CA 0.204 61.485 61.300 -0.032 0.000 1.408 292 I CB 0.036 37.994 38.000 -0.070 0.000 1.127 292 I HN -0.116 nan 8.210 nan 0.000 0.439 293 A N 1.251 124.058 122.820 -0.021 0.000 1.897 293 A HA -0.126 4.194 4.320 0.000 0.000 0.215 293 A C 2.369 179.951 177.584 -0.004 0.000 1.181 293 A CA 2.296 54.327 52.037 -0.009 0.000 0.620 293 A CB -0.981 18.011 19.000 -0.013 0.000 0.821 293 A HN 0.361 nan 8.150 nan 0.000 0.443 294 T N 0.364 114.913 114.554 -0.009 0.000 2.857 294 T HA -0.047 4.303 4.350 0.000 0.000 0.266 294 T C 1.783 176.481 174.700 -0.002 0.000 1.048 294 T CA 1.028 63.125 62.100 -0.006 0.000 1.139 294 T CB -0.258 68.604 68.868 -0.010 0.000 0.874 294 T HN 0.224 nan 8.240 nan 0.000 0.455 295 L N 2.373 123.595 121.223 -0.001 0.000 2.191 295 L HA -0.054 4.286 4.340 0.000 0.000 0.212 295 L C 2.179 179.053 176.870 0.006 0.000 1.103 295 L CA 2.138 56.981 54.840 0.005 0.000 0.769 295 L CB -1.337 40.730 42.059 0.012 0.000 0.908 295 L HN 0.494 nan 8.230 nan 0.000 0.438 296 T N -5.253 109.305 114.554 0.006 0.000 2.971 296 T HA 0.288 4.638 4.350 0.000 0.000 0.252 296 T C 1.307 176.010 174.700 0.005 0.000 1.022 296 T CA 0.497 62.601 62.100 0.006 0.000 0.980 296 T CB 0.354 69.231 68.868 0.014 0.000 1.044 296 T HN 0.413 nan 8.240 nan 0.000 0.501 297 G N 0.863 109.667 108.800 0.008 0.000 2.149 297 G HA2 0.043 4.003 3.960 0.000 0.000 0.235 297 G HA3 0.043 4.003 3.960 0.000 0.000 0.235 297 G C 0.346 175.259 174.900 0.022 0.000 1.018 297 G CA -0.161 44.946 45.100 0.012 0.000 0.728 297 G HN 1.006 nan 8.290 nan 0.000 0.508 298 G N -1.532 107.282 108.800 0.023 0.000 2.613 298 G HA2 0.760 4.720 3.960 0.000 0.000 0.303 298 G HA3 0.760 4.720 3.960 0.000 0.000 0.303 298 G C -0.372 174.538 174.900 0.016 0.000 1.312 298 G CA 0.232 45.350 45.100 0.031 0.000 1.036 298 G HN 0.638 nan 8.290 nan 0.000 0.513 299 T N -0.132 114.431 114.554 0.015 0.000 2.841 299 T HA 0.415 4.765 4.350 0.000 0.000 0.283 299 T C -0.203 174.497 174.700 -0.001 0.000 1.000 299 T CA -0.299 61.804 62.100 0.005 0.000 0.977 299 T CB 1.828 70.699 68.868 0.005 0.000 0.979 299 T HN 0.319 nan 8.240 nan 0.000 0.446 300 V N 4.531 124.440 119.914 -0.009 0.000 2.470 300 V HA 0.253 4.373 4.120 0.000 0.000 0.276 300 V C 0.234 176.322 176.094 -0.011 0.000 1.040 300 V CA -0.253 62.039 62.300 -0.014 0.000 1.008 300 V CB -0.001 31.808 31.823 -0.023 0.000 0.990 300 V HN 0.734 nan 8.190 nan 0.000 0.477 301 I N 5.752 126.316 120.570 -0.009 0.000 2.310 301 I HA 0.312 4.482 4.170 0.000 0.000 0.287 301 I C 0.545 176.657 176.117 -0.008 0.000 1.073 301 I CA 0.158 61.453 61.300 -0.007 0.000 1.216 301 I CB 0.635 38.632 38.000 -0.006 0.000 1.415 301 I HN 0.701 nan 8.210 nan 0.000 0.480 302 S N 3.175 118.869 115.700 -0.009 0.000 2.621 302 S HA 0.451 4.921 4.470 0.000 0.000 0.302 302 S C 0.445 175.041 174.600 -0.006 0.000 1.093 302 S CA -0.851 57.344 58.200 -0.009 0.000 1.017 302 S CB 2.062 65.255 63.200 -0.012 0.000 1.077 302 S HN 0.590 nan 8.310 nan 0.000 0.517 303 E N 0.356 120.554 120.200 -0.004 0.000 2.447 303 E HA 0.010 4.360 4.350 0.000 0.000 0.195 303 E C 1.150 177.748 176.600 -0.003 0.000 1.028 303 E CA 0.200 56.598 56.400 -0.003 0.000 0.876 303 E CB -0.008 29.692 29.700 -0.000 0.000 0.885 303 E HN 0.749 nan 8.360 nan 0.000 0.500 304 E N 0.878 121.075 120.200 -0.005 0.000 2.153 304 E HA -0.125 4.225 4.350 0.000 0.000 0.194 304 E C 1.813 178.409 176.600 -0.006 0.000 0.988 304 E CA 0.783 57.180 56.400 -0.005 0.000 0.811 304 E CB 0.066 29.762 29.700 -0.007 0.000 0.746 304 E HN 0.312 nan 8.360 nan 0.000 0.466 305 I N -0.875 119.691 120.570 -0.006 0.000 3.030 305 I HA 0.041 4.211 4.170 0.000 0.000 0.270 305 I C 1.427 177.541 176.117 -0.005 0.000 1.211 305 I CA 0.592 61.888 61.300 -0.006 0.000 1.479 305 I CB 0.307 38.303 38.000 -0.007 0.000 1.105 305 I HN 0.239 nan 8.210 nan 0.000 0.447 306 G N 1.282 110.079 108.800 -0.004 0.000 2.144 306 G HA2 -0.229 3.731 3.960 0.000 0.000 0.218 306 G HA3 -0.229 3.731 3.960 0.000 0.000 0.218 306 G C 0.223 175.121 174.900 -0.004 0.000 0.988 306 G CA -0.423 44.675 45.100 -0.003 0.000 0.659 306 G HN 0.178 nan 8.290 nan 0.000 0.522 307 M N 0.531 120.129 119.600 -0.004 0.000 2.250 307 M HA 0.519 4.999 4.480 0.000 0.000 0.344 307 M C 0.460 176.757 176.300 -0.004 0.000 1.150 307 M CA 0.330 55.627 55.300 -0.005 0.000 1.147 307 M CB 0.858 33.455 32.600 -0.006 0.000 1.498 307 M HN 0.254 nan 8.290 nan 0.000 0.461 308 E N 1.408 121.605 120.200 -0.005 0.000 2.277 308 E HA 0.297 4.647 4.350 0.000 0.000 0.266 308 E C 0.112 176.708 176.600 -0.006 0.000 0.901 308 E CA -0.589 55.808 56.400 -0.005 0.000 0.782 308 E CB 1.974 31.672 29.700 -0.004 0.000 1.228 308 E HN 0.637 nan 8.360 nan 0.000 0.424 309 L N 1.264 122.483 121.223 -0.006 0.000 2.291 309 L HA -0.134 4.206 4.340 0.000 0.000 0.214 309 L C 1.527 178.390 176.870 -0.012 0.000 1.120 309 L CA 1.110 55.945 54.840 -0.008 0.000 0.799 309 L CB -0.187 41.869 42.059 -0.005 0.000 0.925 309 L HN 0.537 nan 8.230 nan 0.000 0.446 310 E N -0.101 120.092 120.200 -0.010 0.000 2.208 310 E HA -0.106 4.244 4.350 0.000 0.000 0.193 310 E C 1.633 178.224 176.600 -0.014 0.000 0.988 310 E CA 0.615 57.008 56.400 -0.012 0.000 0.828 310 E CB 0.065 29.760 29.700 -0.009 0.000 0.763 310 E HN 0.169 nan 8.360 nan 0.000 0.478 311 K N 0.481 120.874 120.400 -0.012 0.000 2.505 311 K HA 0.226 4.546 4.320 0.000 0.000 0.192 311 K C 0.016 176.607 176.600 -0.015 0.000 1.025 311 K CA 0.080 56.360 56.287 -0.012 0.000 1.086 311 K CB 0.475 32.969 32.500 -0.009 0.000 0.840 311 K HN 0.026 nan 8.250 nan 0.000 0.514 312 A N 1.962 124.770 122.820 -0.019 0.000 2.320 312 A HA 0.295 4.615 4.320 0.000 0.000 0.287 312 A C 0.658 178.221 177.584 -0.035 0.000 1.181 312 A CA -0.414 51.610 52.037 -0.023 0.000 0.831 312 A CB 0.232 19.219 19.000 -0.021 0.000 1.102 312 A HN 0.253 nan 8.150 nan 0.000 0.513 313 T N 0.289 114.823 114.554 -0.034 0.000 2.892 313 T HA 0.502 4.852 4.350 0.000 0.000 0.280 313 T C 1.124 175.784 174.700 -0.067 0.000 1.004 313 T CA -0.551 61.521 62.100 -0.047 0.000 0.950 313 T CB 0.289 69.139 68.868 -0.029 0.000 1.309 313 T HN 0.293 nan 8.240 nan 0.000 0.592 314 L N -0.156 121.018 121.223 -0.081 0.000 2.240 314 L HA 0.135 4.475 4.340 0.000 0.000 0.211 314 L C 2.974 179.855 176.870 0.018 0.000 1.106 314 L CA 1.087 55.856 54.840 -0.118 0.000 0.793 314 L CB -0.375 41.594 42.059 -0.149 0.000 0.927 314 L HN 0.824 nan 8.230 nan 0.000 0.446 315 E N 0.082 120.299 120.200 0.028 0.000 2.208 315 E HA -0.204 4.146 4.350 0.000 0.000 0.193 315 E C 1.103 177.733 176.600 0.051 0.000 0.988 315 E CA 0.885 57.318 56.400 0.055 0.000 0.828 315 E CB 0.242 29.962 29.700 0.033 0.000 0.763 315 E HN 0.425 nan 8.360 nan 0.000 0.478 316 D N 0.123 120.540 120.400 0.028 0.000 2.371 316 D HA -0.051 4.589 4.640 0.000 0.000 0.221 316 D C -0.223 176.102 176.300 0.042 0.000 0.986 316 D CA 0.440 54.454 54.000 0.024 0.000 0.899 316 D CB 0.114 40.917 40.800 0.006 0.000 0.902 316 D HN 0.108 nan 8.370 nan 0.000 0.530 317 L N 0.765 122.034 121.223 0.077 0.000 2.276 317 L HA 0.371 4.711 4.340 0.000 0.000 0.286 317 L C 1.353 178.315 176.870 0.153 0.000 1.061 317 L CA -0.495 54.424 54.840 0.132 0.000 0.807 317 L CB 1.252 43.435 42.059 0.207 0.000 1.177 317 L HN -0.165 nan 8.230 nan 0.000 0.429 318 G N 2.246 111.105 108.800 0.099 0.000 2.683 318 G HA2 0.381 4.341 3.960 0.000 0.000 0.260 318 G HA3 0.381 4.341 3.960 0.000 0.000 0.260 318 G C -0.698 174.231 174.900 0.048 0.000 1.238 318 G CA -0.172 44.965 45.100 0.062 0.000 0.934 318 G HN 0.573 nan 8.290 nan 0.000 0.534 319 Q N -2.024 117.771 119.800 -0.009 0.000 2.435 319 Q HA 0.580 4.920 4.340 0.000 0.000 0.282 319 Q C -1.022 174.941 176.000 -0.063 0.000 1.020 319 Q CA -0.732 55.022 55.803 -0.082 0.000 0.820 319 Q CB 2.248 30.882 28.738 -0.172 0.000 1.436 319 Q HN 0.960 nan 8.270 nan 0.000 0.395 320 A N 1.415 124.188 122.820 -0.079 0.000 2.569 320 A HA 0.475 4.795 4.320 0.000 0.000 0.290 320 A C -0.564 176.981 177.584 -0.065 0.000 1.136 320 A CA -0.578 51.429 52.037 -0.051 0.000 0.710 320 A CB 1.569 20.557 19.000 -0.020 0.000 1.303 320 A HN 0.775 nan 8.150 nan 0.000 0.413 321 K N -0.551 119.822 120.400 -0.046 0.000 2.366 321 K HA 0.076 4.396 4.320 0.000 0.000 0.198 321 K C 0.453 177.032 176.600 -0.036 0.000 1.044 321 K CA 0.997 57.257 56.287 -0.044 0.000 0.973 321 K CB 0.150 32.631 32.500 -0.031 0.000 0.767 321 K HN 0.532 nan 8.250 nan 0.000 0.475 322 R N -0.385 120.099 120.500 -0.027 0.000 3.681 322 R HA 0.073 4.413 4.340 0.000 0.000 0.252 322 R C -2.107 174.187 176.300 -0.010 0.000 1.000 322 R CA -0.428 55.662 56.100 -0.017 0.000 1.056 322 R CB 1.134 31.426 30.300 -0.014 0.000 1.243 322 R HN -0.065 nan 8.270 nan 0.000 0.549 323 V N 0.129 120.040 119.914 -0.006 0.000 2.841 323 V HA 0.812 4.932 4.120 0.000 0.000 0.310 323 V C -0.884 175.206 176.094 -0.007 0.000 1.090 323 V CA -0.841 61.456 62.300 -0.005 0.000 0.930 323 V CB 2.056 33.882 31.823 0.006 0.000 1.014 323 V HN 0.392 nan 8.190 nan 0.000 0.425 324 V N 4.564 124.465 119.914 -0.021 0.000 2.604 324 V HA 0.618 4.738 4.120 0.000 0.000 0.305 324 V C -0.435 175.638 176.094 -0.034 0.000 1.043 324 V CA -0.391 61.901 62.300 -0.013 0.000 0.888 324 V CB 1.822 33.639 31.823 -0.011 0.000 0.995 324 V HN 0.838 nan 8.190 nan 0.000 0.429 325 I N 4.468 125.045 120.570 0.012 0.000 2.476 325 I HA 0.416 4.586 4.170 0.000 0.000 0.281 325 I C -0.064 176.098 176.117 0.075 0.000 1.040 325 I CA -0.442 60.868 61.300 0.017 0.000 1.094 325 I CB 1.465 39.519 38.000 0.089 0.000 1.219 325 I HN 0.548 nan 8.210 nan 0.000 0.450 326 N N 4.642 123.322 118.700 -0.033 0.000 2.328 326 N HA 0.179 4.919 4.740 0.000 0.000 0.277 326 N C 1.118 176.448 175.510 -0.299 0.000 1.286 326 N CA -0.374 52.647 53.050 -0.049 0.000 0.949 326 N CB 0.743 39.193 38.487 -0.062 0.000 1.136 326 N HN 0.484 nan 8.380 nan 0.000 0.550 327 K N -0.094 120.121 120.400 -0.309 0.000 2.057 327 K HA -0.161 4.159 4.320 0.000 0.000 0.207 327 K C -0.348 175.956 176.600 -0.493 0.000 1.049 327 K CA 1.862 57.793 56.287 -0.594 0.000 0.931 327 K CB 0.011 32.382 32.500 -0.215 0.000 0.714 327 K HN 0.595 nan 8.250 nan 0.000 0.440 328 D N -1.521 118.722 120.400 -0.263 0.000 2.620 328 D HA 0.096 4.736 4.640 0.000 0.000 0.260 328 D C -0.879 175.340 176.300 -0.135 0.000 1.367 328 D CA -0.349 53.550 54.000 -0.169 0.000 0.805 328 D CB 1.093 41.834 40.800 -0.098 0.000 1.096 328 D HN -0.176 nan 8.370 nan 0.000 0.488 329 T N -0.150 114.297 114.554 -0.178 0.000 3.071 329 T HA 0.541 4.891 4.350 0.000 0.000 0.311 329 T C -0.967 173.558 174.700 -0.291 0.000 1.042 329 T CA -0.481 61.497 62.100 -0.202 0.000 1.028 329 T CB 2.089 70.882 68.868 -0.126 0.000 1.068 329 T HN -0.162 nan 8.240 nan 0.000 0.451 330 T N 2.462 116.686 114.554 -0.549 0.000 2.809 330 T HA 0.584 4.934 4.350 0.000 0.000 0.284 330 T C -0.237 174.087 174.700 -0.627 0.000 0.992 330 T CA -0.481 61.260 62.100 -0.599 0.000 0.957 330 T CB 1.497 69.911 68.868 -0.758 0.000 0.942 330 T HN 0.608 nan 8.240 nan 0.000 0.439 331 T N 3.930 118.310 114.554 -0.289 0.000 2.797 331 T HA 0.708 5.058 4.350 0.000 0.000 0.279 331 T C -0.503 174.151 174.700 -0.078 0.000 0.991 331 T CA -0.695 61.302 62.100 -0.172 0.000 0.979 331 T CB 0.114 68.917 68.868 -0.108 0.000 0.943 331 T HN 0.453 nan 8.240 nan 0.000 0.444 332 I N 5.819 126.381 120.570 -0.014 0.000 2.354 332 I HA 0.481 4.651 4.170 0.000 0.000 0.292 332 I C -0.321 175.805 176.117 0.015 0.000 0.989 332 I CA -0.874 60.444 61.300 0.029 0.000 1.188 332 I CB 1.704 39.758 38.000 0.090 0.000 1.342 332 I HN 0.542 nan 8.210 nan 0.000 0.457 333 I N 5.225 125.798 120.570 0.004 0.000 2.389 333 I HA 0.256 4.426 4.170 0.000 0.000 0.288 333 I C -0.354 175.759 176.117 -0.006 0.000 0.999 333 I CA -0.427 60.872 61.300 -0.003 0.000 1.129 333 I CB 1.394 39.389 38.000 -0.009 0.000 1.288 333 I HN 0.630 nan 8.210 nan 0.000 0.444 334 D N 5.112 125.509 120.400 -0.005 0.000 2.746 334 D HA -0.125 4.515 4.640 0.000 0.000 0.241 334 D C 0.657 176.950 176.300 -0.012 0.000 1.140 334 D CA 1.022 55.016 54.000 -0.009 0.000 0.707 334 D CB -0.409 40.382 40.800 -0.014 0.000 1.034 334 D HN 0.866 nan 8.370 nan 0.000 0.423 335 G N -0.357 108.440 108.800 -0.004 0.000 2.765 335 G HA2 0.110 4.070 3.960 0.000 0.000 0.230 335 G HA3 0.110 4.070 3.960 0.000 0.000 0.230 335 G C 1.414 176.305 174.900 -0.014 0.000 1.238 335 G CA 0.032 45.129 45.100 -0.006 0.000 0.854 335 G HN 0.462 nan 8.290 nan 0.000 0.579 336 V N 1.896 121.799 119.914 -0.019 0.000 3.307 336 V HA 0.162 4.282 4.120 0.000 0.000 0.253 336 V C 2.096 178.183 176.094 -0.011 0.000 1.149 336 V CA 0.952 63.239 62.300 -0.021 0.000 1.112 336 V CB -0.574 31.229 31.823 -0.034 0.000 0.777 336 V HN 0.925 nan 8.190 nan 0.000 0.464 337 G N 0.775 109.571 108.800 -0.006 0.000 2.491 337 G HA2 0.163 4.123 3.960 0.000 0.000 0.238 337 G HA3 0.163 4.123 3.960 0.000 0.000 0.238 337 G C -0.104 174.794 174.900 -0.003 0.000 1.277 337 G CA -0.238 44.861 45.100 -0.002 0.000 0.851 337 G HN 0.253 nan 8.290 nan 0.000 0.573 338 E N 1.017 121.215 120.200 -0.002 0.000 2.373 338 E HA 0.016 4.366 4.350 0.000 0.000 0.267 338 E C 1.155 177.753 176.600 -0.003 0.000 1.032 338 E CA -0.045 56.353 56.400 -0.003 0.000 0.889 338 E CB 1.263 30.962 29.700 -0.002 0.000 0.984 338 E HN 0.675 nan 8.360 nan 0.000 0.425 339 E N 1.312 121.509 120.200 -0.004 0.000 2.333 339 E HA -0.172 4.178 4.350 0.000 0.000 0.198 339 E C 1.530 178.128 176.600 -0.004 0.000 1.007 339 E CA 0.851 57.249 56.400 -0.004 0.000 0.845 339 E CB 0.107 29.805 29.700 -0.004 0.000 0.766 339 E HN 0.527 nan 8.360 nan 0.000 0.507 340 A N 1.200 124.018 122.820 -0.004 0.000 1.897 340 A HA 0.018 4.338 4.320 0.000 0.000 0.215 340 A C 2.313 179.894 177.584 -0.004 0.000 1.181 340 A CA 1.361 53.396 52.037 -0.004 0.000 0.620 340 A CB -0.274 18.724 19.000 -0.003 0.000 0.821 340 A HN 0.284 nan 8.150 nan 0.000 0.443 341 A N -0.081 122.737 122.820 -0.004 0.000 1.898 341 A HA 0.110 4.430 4.320 0.000 0.000 0.214 341 A C 2.074 179.655 177.584 -0.006 0.000 1.183 341 A CA 1.087 53.121 52.037 -0.005 0.000 0.622 341 A CB -0.501 18.497 19.000 -0.003 0.000 0.824 341 A HN 0.448 nan 8.150 nan 0.000 0.444 342 I N -0.827 119.740 120.570 -0.005 0.000 2.058 342 I HA -0.292 3.878 4.170 0.000 0.000 0.235 342 I C 2.730 178.844 176.117 -0.006 0.000 1.053 342 I CA 1.996 63.293 61.300 -0.005 0.000 1.313 342 I CB -0.497 37.501 38.000 -0.004 0.000 1.039 342 I HN 0.339 nan 8.210 nan 0.000 0.396 343 Q N 1.148 120.944 119.800 -0.006 0.000 2.291 343 Q HA -0.087 4.253 4.340 0.000 0.000 0.205 343 Q C 1.942 177.938 176.000 -0.007 0.000 0.970 343 Q CA 1.499 57.298 55.803 -0.006 0.000 0.876 343 Q CB -0.378 28.357 28.738 -0.006 0.000 0.935 343 Q HN 0.539 nan 8.270 nan 0.000 0.455 344 G N -0.069 108.727 108.800 -0.007 0.000 2.422 344 G HA2 -0.308 3.652 3.960 0.000 0.000 0.218 344 G HA3 -0.308 3.652 3.960 0.000 0.000 0.218 344 G C 1.533 176.427 174.900 -0.010 0.000 1.146 344 G CA 0.810 45.906 45.100 -0.008 0.000 0.769 344 G HN 0.304 nan 8.290 nan 0.000 0.547 345 R N 0.090 120.584 120.500 -0.011 0.000 2.073 345 R HA 0.049 4.389 4.340 0.000 0.000 0.229 345 R C 2.604 178.895 176.300 -0.015 0.000 1.120 345 R CA 1.186 57.278 56.100 -0.014 0.000 0.967 345 R CB -0.833 29.458 30.300 -0.015 0.000 0.862 345 R HN 0.160 nan 8.270 nan 0.000 0.436 346 V N 0.883 120.789 119.914 -0.013 0.000 2.380 346 V HA -0.272 3.848 4.120 0.000 0.000 0.251 346 V C 2.239 178.324 176.094 -0.014 0.000 1.063 346 V CA 2.077 64.369 62.300 -0.013 0.000 1.055 346 V CB -0.819 30.998 31.823 -0.010 0.000 0.657 346 V HN 0.570 nan 8.190 nan 0.000 0.455 347 A N -1.403 121.410 122.820 -0.013 0.000 2.067 347 A HA -0.150 4.170 4.320 0.000 0.000 0.217 347 A C 2.145 179.721 177.584 -0.014 0.000 1.156 347 A CA 1.055 53.085 52.037 -0.012 0.000 0.683 347 A CB -0.280 18.713 19.000 -0.010 0.000 0.808 347 A HN 0.614 nan 8.150 nan 0.000 0.455 348 Q N -0.338 119.453 119.800 -0.015 0.000 2.079 348 Q HA -0.083 4.257 4.340 0.000 0.000 0.200 348 Q C 1.875 177.862 176.000 -0.021 0.000 0.974 348 Q CA 1.544 57.337 55.803 -0.017 0.000 0.840 348 Q CB -0.280 28.447 28.738 -0.018 0.000 0.898 348 Q HN 0.770 nan 8.270 nan 0.000 0.430 349 I N -0.113 120.443 120.570 -0.023 0.000 2.333 349 I HA -0.190 3.980 4.170 0.000 0.000 0.246 349 I C 2.485 178.587 176.117 -0.025 0.000 1.106 349 I CA 0.719 62.002 61.300 -0.028 0.000 1.411 349 I CB -0.236 37.746 38.000 -0.031 0.000 1.082 349 I HN 0.064 nan 8.210 nan 0.000 0.420 350 R N 0.831 121.319 120.500 -0.020 0.000 2.127 350 R HA -0.229 4.111 4.340 0.000 0.000 0.238 350 R C 2.373 178.663 176.300 -0.016 0.000 1.134 350 R CA 1.524 57.614 56.100 -0.018 0.000 0.975 350 R CB -0.141 30.150 30.300 -0.014 0.000 0.865 350 R HN 0.424 nan 8.270 nan 0.000 0.447 351 Q N 0.049 119.840 119.800 -0.016 0.000 2.096 351 Q HA -0.170 4.170 4.340 0.000 0.000 0.197 351 Q C 1.726 177.716 176.000 -0.016 0.000 0.964 351 Q CA 1.351 57.145 55.803 -0.014 0.000 0.838 351 Q CB 0.176 28.906 28.738 -0.013 0.000 0.906 351 Q HN 0.481 nan 8.270 nan 0.000 0.444 352 Q N 0.120 119.908 119.800 -0.020 0.000 2.364 352 Q HA -0.091 4.249 4.340 0.000 0.000 0.209 352 Q C 1.927 177.913 176.000 -0.024 0.000 0.977 352 Q CA 0.710 56.499 55.803 -0.022 0.000 0.885 352 Q CB 0.027 28.747 28.738 -0.029 0.000 0.941 352 Q HN 0.478 nan 8.270 nan 0.000 0.464 353 I N 0.963 121.518 120.570 -0.024 0.000 2.286 353 I HA -0.237 3.933 4.170 0.000 0.000 0.248 353 I C 1.853 177.961 176.117 -0.015 0.000 1.115 353 I CA 0.919 62.205 61.300 -0.023 0.000 1.392 353 I CB -0.197 37.790 38.000 -0.022 0.000 1.065 353 I HN 0.193 nan 8.210 nan 0.000 0.418 354 E N 0.873 121.066 120.200 -0.013 0.000 2.274 354 E HA -0.146 4.204 4.350 0.000 0.000 0.194 354 E C 1.504 178.100 176.600 -0.007 0.000 0.996 354 E CA 0.830 57.225 56.400 -0.009 0.000 0.840 354 E CB -0.164 29.532 29.700 -0.008 0.000 0.772 354 E HN 0.609 nan 8.360 nan 0.000 0.491 355 E N 0.650 120.844 120.200 -0.010 0.000 2.479 355 E HA 0.187 4.537 4.350 0.000 0.000 0.193 355 E C 0.260 176.856 176.600 -0.007 0.000 1.049 355 E CA -0.177 56.218 56.400 -0.008 0.000 0.870 355 E CB 0.505 30.199 29.700 -0.010 0.000 0.944 355 E HN 0.045 nan 8.360 nan 0.000 0.492 356 A N 1.610 124.425 122.820 -0.008 0.000 2.492 356 A HA 0.085 4.405 4.320 0.000 0.000 0.254 356 A C 1.079 178.666 177.584 0.005 0.000 1.091 356 A CA 0.129 52.163 52.037 -0.005 0.000 0.768 356 A CB -0.010 18.983 19.000 -0.012 0.000 1.028 356 A HN 0.179 nan 8.150 nan 0.000 0.498 357 T N -0.725 113.837 114.554 0.012 0.000 3.176 357 T HA 0.427 4.777 4.350 0.000 0.000 0.263 357 T C 0.315 175.032 174.700 0.029 0.000 1.021 357 T CA 0.337 62.447 62.100 0.017 0.000 0.905 357 T CB -0.337 68.540 68.868 0.015 0.000 1.057 357 T HN 0.907 nan 8.240 nan 0.000 0.558 358 S N -0.471 115.253 115.700 0.039 0.000 2.546 358 S HA 0.377 4.847 4.470 0.000 0.000 0.274 358 S C -0.225 174.414 174.600 0.066 0.000 1.121 358 S CA -0.632 57.606 58.200 0.064 0.000 0.887 358 S CB 1.656 64.918 63.200 0.103 0.000 1.094 358 S HN 0.088 nan 8.310 nan 0.000 0.474 359 D N 1.621 122.069 120.400 0.079 0.000 2.269 359 D HA -0.033 4.607 4.640 0.000 0.000 0.208 359 D C 1.088 177.447 176.300 0.099 0.000 0.963 359 D CA 1.126 55.169 54.000 0.071 0.000 0.864 359 D CB -0.015 40.824 40.800 0.065 0.000 0.936 359 D HN 0.696 nan 8.370 nan 0.000 0.505 360 Y N 1.942 122.249 120.300 0.011 0.000 2.201 360 Y HA -0.099 4.451 4.550 0.000 0.000 0.292 360 Y C 1.500 177.407 175.900 0.012 0.000 1.119 360 Y CA 1.320 59.429 58.100 0.016 0.000 1.127 360 Y CB -0.109 38.365 38.460 0.023 0.000 1.019 360 Y HN -0.250 nan 8.280 nan 0.000 0.514 361 D N 0.304 120.642 120.400 -0.104 0.000 2.158 361 D HA -0.206 4.434 4.640 0.000 0.000 0.197 361 D C 2.146 178.340 176.300 -0.177 0.000 0.995 361 D CA 1.580 55.463 54.000 -0.196 0.000 0.846 361 D CB -0.322 40.461 40.800 -0.028 0.000 0.941 361 D HN 0.330 nan 8.370 nan 0.000 0.456 362 R N 0.488 120.931 120.500 -0.095 0.000 2.066 362 R HA -0.111 4.229 4.340 0.000 0.000 0.232 362 R C 1.905 178.153 176.300 -0.086 0.000 1.131 362 R CA 1.249 57.309 56.100 -0.068 0.000 0.955 362 R CB 0.046 30.331 30.300 -0.026 0.000 0.851 362 R HN 0.219 nan 8.270 nan 0.000 0.432 363 E N -0.082 120.058 120.200 -0.099 0.000 2.106 363 E HA -0.152 4.198 4.350 0.000 0.000 0.192 363 E C 1.869 178.390 176.600 -0.133 0.000 0.984 363 E CA 0.857 57.204 56.400 -0.089 0.000 0.806 363 E CB 0.164 29.831 29.700 -0.055 0.000 0.750 363 E HN 0.105 nan 8.360 nan 0.000 0.458 364 K N 0.412 120.665 120.400 -0.245 0.000 2.211 364 K HA -0.054 4.266 4.320 0.000 0.000 0.203 364 K C 2.003 178.515 176.600 -0.147 0.000 1.050 364 K CA 0.714 56.857 56.287 -0.240 0.000 0.945 364 K CB -0.014 32.237 32.500 -0.416 0.000 0.732 364 K HN 0.215 nan 8.250 nan 0.000 0.451 365 L N 0.345 121.492 121.223 -0.127 0.000 2.270 365 L HA -0.045 4.295 4.340 0.000 0.000 0.210 365 L C 2.166 179.001 176.870 -0.059 0.000 1.104 365 L CA 0.688 55.477 54.840 -0.085 0.000 0.804 365 L CB -0.140 41.875 42.059 -0.074 0.000 0.937 365 L HN 0.104 nan 8.230 nan 0.000 0.450 366 Q N -0.274 119.491 119.800 -0.057 0.000 2.378 366 Q HA -0.116 4.224 4.340 0.000 0.000 0.205 366 Q C 1.773 177.755 176.000 -0.031 0.000 0.954 366 Q CA 0.676 56.456 55.803 -0.038 0.000 0.901 366 Q CB 0.222 28.941 28.738 -0.033 0.000 0.981 366 Q HN 0.528 nan 8.270 nan 0.000 0.483 367 E N 0.510 120.687 120.200 -0.039 0.000 2.046 367 E HA -0.115 4.235 4.350 0.000 0.000 0.190 367 E C 1.960 178.550 176.600 -0.016 0.000 0.982 367 E CA 0.550 56.936 56.400 -0.023 0.000 0.800 367 E CB 0.067 29.752 29.700 -0.025 0.000 0.756 367 E HN 0.249 nan 8.360 nan 0.000 0.449 368 R N 0.771 121.254 120.500 -0.028 0.000 2.073 368 R HA -0.131 4.209 4.340 0.000 0.000 0.234 368 R C 2.736 179.028 176.300 -0.014 0.000 1.134 368 R CA 1.743 57.830 56.100 -0.021 0.000 0.952 368 R CB -0.790 29.489 30.300 -0.035 0.000 0.850 368 R HN 0.187 nan 8.270 nan 0.000 0.433 369 V N -1.098 118.804 119.914 -0.019 0.000 2.407 369 V HA -0.142 3.978 4.120 0.000 0.000 0.248 369 V C 2.383 178.472 176.094 -0.008 0.000 1.055 369 V CA 1.802 64.094 62.300 -0.014 0.000 1.049 369 V CB -1.149 30.663 31.823 -0.017 0.000 0.662 369 V HN 0.277 nan 8.190 nan 0.000 0.455 370 A N 0.383 123.198 122.820 -0.007 0.000 1.972 370 A HA -0.175 4.145 4.320 0.000 0.000 0.219 370 A C 2.339 179.925 177.584 0.002 0.000 1.169 370 A CA 2.109 54.144 52.037 -0.003 0.000 0.635 370 A CB -0.533 18.465 19.000 -0.004 0.000 0.810 370 A HN 0.633 nan 8.150 nan 0.000 0.446 371 K N -1.074 119.330 120.400 0.007 0.000 2.062 371 K HA -0.004 4.316 4.320 0.000 0.000 0.205 371 K C 1.710 178.320 176.600 0.016 0.000 1.051 371 K CA 1.126 57.424 56.287 0.019 0.000 0.941 371 K CB -0.241 32.279 32.500 0.033 0.000 0.719 371 K HN 0.326 nan 8.250 nan 0.000 0.440 372 L N 0.401 121.629 121.223 0.008 0.000 2.022 372 L HA -0.033 4.307 4.340 0.000 0.000 0.204 372 L C 2.327 179.198 176.870 0.002 0.000 1.076 372 L CA 1.703 56.546 54.840 0.005 0.000 0.749 372 L CB -0.772 41.286 42.059 -0.002 0.000 0.903 372 L HN 0.087 nan 8.230 nan 0.000 0.439 373 A N -0.535 122.284 122.820 -0.001 0.000 2.015 373 A HA -0.029 4.291 4.320 0.000 0.000 0.219 373 A C 2.340 179.922 177.584 -0.002 0.000 1.163 373 A CA 1.408 53.443 52.037 -0.003 0.000 0.646 373 A CB -1.323 17.674 19.000 -0.005 0.000 0.806 373 A HN 0.452 nan 8.150 nan 0.000 0.448 374 G N -0.663 108.136 108.800 -0.000 0.000 2.421 374 G HA2 0.279 4.239 3.960 0.000 0.000 0.216 374 G HA3 0.279 4.239 3.960 0.000 0.000 0.216 374 G C 1.319 176.219 174.900 -0.000 0.000 1.171 374 G CA 0.990 46.089 45.100 -0.001 0.000 0.775 374 G HN 1.696 nan 8.290 nan 0.000 0.543 375 G N -1.736 107.066 108.800 0.003 0.000 2.598 375 G HA2 -0.012 3.948 3.960 0.000 0.000 0.244 375 G HA3 -0.012 3.948 3.960 0.000 0.000 0.244 375 G C -0.571 174.330 174.900 0.001 0.000 1.302 375 G CA -0.075 45.027 45.100 0.003 0.000 0.903 375 G HN 1.191 nan 8.290 nan 0.000 0.575 376 V N 0.350 120.263 119.914 -0.002 0.000 2.733 376 V HA 0.708 4.828 4.120 0.000 0.000 0.306 376 V C 0.699 176.789 176.094 -0.007 0.000 1.084 376 V CA 0.005 62.302 62.300 -0.005 0.000 0.905 376 V CB 1.366 33.187 31.823 -0.005 0.000 1.010 376 V HN 2.136 nan 8.190 nan 0.000 0.424 377 A N 4.227 127.041 122.820 -0.010 0.000 2.340 377 A HA 0.780 5.100 4.320 0.000 0.000 0.268 377 A C -0.546 177.032 177.584 -0.010 0.000 1.100 377 A CA -0.304 51.728 52.037 -0.010 0.000 0.803 377 A CB 0.979 19.972 19.000 -0.011 0.000 1.043 377 A HN 0.873 nan 8.150 nan 0.000 0.488 378 V N 3.940 123.849 119.914 -0.008 0.000 2.445 378 V HA 0.221 4.341 4.120 0.000 0.000 0.283 378 V C -0.561 175.529 176.094 -0.006 0.000 1.014 378 V CA -0.034 62.262 62.300 -0.007 0.000 0.852 378 V CB 1.082 32.901 31.823 -0.007 0.000 1.021 378 V HN 0.728 nan 8.190 nan 0.000 0.435 379 I N 4.865 125.432 120.570 -0.005 0.000 2.308 379 I HA 0.319 4.489 4.170 0.000 0.000 0.293 379 I C 0.396 176.512 176.117 -0.002 0.000 1.078 379 I CA -0.191 61.107 61.300 -0.003 0.000 1.292 379 I CB 0.529 38.527 38.000 -0.002 0.000 1.423 379 I HN 0.442 nan 8.210 nan 0.000 0.493 380 K N 6.053 126.451 120.400 -0.003 0.000 2.262 380 K HA 0.442 4.762 4.320 0.000 0.000 0.282 380 K C -0.723 175.876 176.600 -0.002 0.000 1.066 380 K CA -0.581 55.704 56.287 -0.002 0.000 0.901 380 K CB 1.754 34.252 32.500 -0.003 0.000 1.089 380 K HN 0.335 nan 8.250 nan 0.000 0.476 381 V N 2.494 122.408 119.914 -0.001 0.000 2.432 381 V HA 0.356 4.476 4.120 0.000 0.000 0.275 381 V C 0.670 176.763 176.094 -0.001 0.000 1.043 381 V CA -0.644 61.655 62.300 -0.000 0.000 0.925 381 V CB 1.315 33.139 31.823 0.001 0.000 0.985 381 V HN 0.910 nan 8.190 nan 0.000 0.466 382 G N 2.585 111.384 108.800 -0.001 0.000 2.452 382 G HA2 0.651 4.611 3.960 0.000 0.000 0.324 382 G HA3 0.651 4.611 3.960 0.000 0.000 0.324 382 G C 0.066 174.965 174.900 -0.001 0.000 1.214 382 G CA 0.093 45.192 45.100 -0.001 0.000 0.947 382 G HN 1.041 nan 8.290 nan 0.000 0.478 383 A N 0.488 123.307 122.820 -0.001 0.000 2.733 383 A HA 0.793 5.113 4.320 0.000 0.000 0.232 383 A C 0.805 178.388 177.584 -0.002 0.000 1.251 383 A CA 1.074 53.111 52.037 -0.001 0.000 1.015 383 A CB -0.389 18.611 19.000 -0.001 0.000 1.291 383 A HN 2.752 nan 8.150 nan 0.000 0.595 384 A N -0.078 122.741 122.820 -0.002 0.000 2.429 384 A HA 0.481 4.801 4.320 0.000 0.000 0.684 384 A C 0.891 178.474 177.584 -0.002 0.000 0.143 384 A CA 0.734 52.770 52.037 -0.002 0.000 0.046 384 A CB -2.454 16.545 19.000 -0.002 0.000 3.961 384 A HN 3.158 nan 8.150 nan 0.000 0.546 385 T N -0.395 114.158 114.554 -0.002 0.000 0.543 385 T HA -0.132 4.218 4.350 0.000 0.000 0.774 385 T C 0.405 175.104 174.700 -0.002 0.000 0.992 385 T CA 1.758 63.857 62.100 -0.002 0.000 4.075 385 T CB -0.952 67.915 68.868 -0.002 0.000 2.302 385 T HN 2.124 nan 8.240 nan 0.000 0.398 386 E N 1.386 121.584 120.200 -0.002 0.000 2.204 386 E HA -0.091 4.259 4.350 0.000 0.000 0.195 386 E C 2.108 178.707 176.600 -0.002 0.000 0.990 386 E CA 1.669 58.069 56.400 -0.002 0.000 0.821 386 E CB -0.088 29.611 29.700 -0.002 0.000 0.750 386 E HN 0.667 nan 8.360 nan 0.000 0.477 387 V N 1.447 121.360 119.914 -0.002 0.000 2.237 387 V HA -0.271 3.849 4.120 0.000 0.000 0.245 387 V C 2.000 178.093 176.094 -0.002 0.000 1.046 387 V CA 2.242 64.541 62.300 -0.002 0.000 1.007 387 V CB -0.601 31.221 31.823 -0.002 0.000 0.638 387 V HN 0.293 nan 8.190 nan 0.000 0.445 388 E N -0.299 119.900 120.200 -0.002 0.000 2.265 388 E HA -0.217 4.133 4.350 0.000 0.000 0.196 388 E C 2.065 178.664 176.600 -0.001 0.000 0.996 388 E CA 1.129 57.529 56.400 -0.002 0.000 0.832 388 E CB -0.197 29.502 29.700 -0.002 0.000 0.756 388 E HN 0.493 nan 8.360 nan 0.000 0.491 389 M N 1.168 120.768 119.600 -0.001 0.000 2.115 389 M HA -0.106 4.374 4.480 0.000 0.000 0.261 389 M C 1.709 178.009 176.300 -0.000 0.000 1.079 389 M CA 1.566 56.866 55.300 -0.001 0.000 1.143 389 M CB -0.091 32.508 32.600 -0.001 0.000 1.332 389 M HN -0.153 nan 8.290 nan 0.000 0.421 390 K N 0.459 120.859 120.400 -0.001 0.000 2.057 390 K HA -0.159 4.161 4.320 0.000 0.000 0.207 390 K C 1.940 178.540 176.600 -0.000 0.000 1.049 390 K CA 1.117 57.404 56.287 -0.000 0.000 0.931 390 K CB -0.737 31.762 32.500 -0.001 0.000 0.714 390 K HN 0.460 nan 8.250 nan 0.000 0.440 391 E N 1.679 121.879 120.200 -0.001 0.000 2.068 391 E HA -0.257 4.093 4.350 0.000 0.000 0.207 391 E C 2.005 178.605 176.600 -0.000 0.000 1.032 391 E CA 1.708 58.107 56.400 -0.001 0.000 0.839 391 E CB -0.012 29.687 29.700 -0.002 0.000 0.758 391 E HN 0.191 nan 8.360 nan 0.000 0.457 392 K N 0.525 120.925 120.400 -0.000 0.000 2.097 392 K HA -0.179 4.141 4.320 0.000 0.000 0.206 392 K C 2.370 178.971 176.600 0.002 0.000 1.049 392 K CA 1.480 57.768 56.287 0.001 0.000 0.933 392 K CB -0.107 32.393 32.500 0.000 0.000 0.717 392 K HN -0.004 nan 8.250 nan 0.000 0.442 393 K N 0.294 120.695 120.400 0.002 0.000 2.032 393 K HA -0.179 4.141 4.320 0.000 0.000 0.209 393 K C 1.947 178.551 176.600 0.006 0.000 1.048 393 K CA 1.490 57.779 56.287 0.004 0.000 0.927 393 K CB -0.192 32.310 32.500 0.003 0.000 0.712 393 K HN 0.159 nan 8.250 nan 0.000 0.441 394 A N 1.510 124.333 122.820 0.004 0.000 1.902 394 A HA -0.146 4.174 4.320 0.000 0.000 0.217 394 A C 2.091 179.679 177.584 0.006 0.000 1.181 394 A CA 1.406 53.445 52.037 0.003 0.000 0.623 394 A CB -0.479 18.521 19.000 -0.001 0.000 0.818 394 A HN 0.352 nan 8.150 nan 0.000 0.443 395 R N -0.682 119.821 120.500 0.005 0.000 2.120 395 R HA -0.076 4.264 4.340 0.000 0.000 0.234 395 R C 1.962 178.269 176.300 0.012 0.000 1.123 395 R CA 1.400 57.504 56.100 0.006 0.000 0.975 395 R CB -0.454 29.847 30.300 0.003 0.000 0.866 395 R HN 0.435 nan 8.270 nan 0.000 0.446 396 V N 0.973 120.894 119.914 0.012 0.000 2.379 396 V HA -0.182 3.938 4.120 0.000 0.000 0.245 396 V C 1.956 178.067 176.094 0.028 0.000 1.044 396 V CA 1.630 63.940 62.300 0.016 0.000 1.036 396 V CB -0.357 31.473 31.823 0.011 0.000 0.664 396 V HN 0.312 nan 8.190 nan 0.000 0.453 397 E N 0.071 120.290 120.200 0.032 0.000 2.058 397 E HA -0.238 4.112 4.350 0.000 0.000 0.194 397 E C 1.996 178.647 176.600 0.084 0.000 0.997 397 E CA 1.600 58.033 56.400 0.056 0.000 0.801 397 E CB -0.167 29.559 29.700 0.042 0.000 0.746 397 E HN 0.589 nan 8.360 nan 0.000 0.450 398 D N 0.295 120.726 120.400 0.050 0.000 2.084 398 D HA -0.125 4.515 4.640 0.000 0.000 0.194 398 D C 1.911 178.252 176.300 0.068 0.000 0.990 398 D CA 1.386 55.417 54.000 0.051 0.000 0.826 398 D CB -0.292 40.518 40.800 0.016 0.000 0.971 398 D HN 0.153 nan 8.370 nan 0.000 0.453 399 A N 0.502 123.347 122.820 0.042 0.000 2.019 399 A HA -0.112 4.208 4.320 0.000 0.000 0.219 399 A C 2.123 179.726 177.584 0.032 0.000 1.164 399 A CA 0.785 52.841 52.037 0.032 0.000 0.644 399 A CB -0.463 18.547 19.000 0.018 0.000 0.805 399 A HN 0.208 nan 8.150 nan 0.000 0.449 400 L N -1.258 119.988 121.223 0.039 0.000 2.007 400 L HA -0.091 4.249 4.340 0.000 0.000 0.205 400 L C 2.365 179.245 176.870 0.016 0.000 1.073 400 L CA 2.158 57.009 54.840 0.018 0.000 0.744 400 L CB -0.782 41.285 42.059 0.015 0.000 0.898 400 L HN 0.520 nan 8.230 nan 0.000 0.435 401 H N -0.355 118.711 119.070 -0.006 0.000 2.353 401 H HA -0.169 4.387 4.556 0.000 0.000 0.298 401 H C 1.997 177.323 175.328 -0.003 0.000 1.103 401 H CA 1.766 57.810 56.048 -0.006 0.000 1.293 401 H CB 0.053 29.810 29.762 -0.008 0.000 1.372 401 H HN 0.520 nan 8.280 nan 0.000 0.501 402 A N -0.091 122.802 122.820 0.121 0.000 1.858 402 A HA -0.146 4.174 4.320 0.000 0.000 0.216 402 A C 2.597 180.201 177.584 0.034 0.000 1.190 402 A CA 2.227 54.306 52.037 0.071 0.000 0.617 402 A CB -0.955 18.075 19.000 0.049 0.000 0.827 402 A HN 0.463 nan 8.150 nan 0.000 0.443 403 T N -0.489 114.076 114.554 0.018 0.000 3.007 403 T HA -0.067 4.283 4.350 0.000 0.000 0.270 403 T C 1.996 176.690 174.700 -0.010 0.000 1.107 403 T CA 0.815 62.917 62.100 0.004 0.000 1.118 403 T CB -0.202 68.667 68.868 0.000 0.000 0.889 403 T HN 0.274 nan 8.240 nan 0.000 0.506 404 R N 1.701 122.184 120.500 -0.027 0.000 2.088 404 R HA -0.004 4.336 4.340 0.000 0.000 0.232 404 R C 2.696 178.980 176.300 -0.027 0.000 1.136 404 R CA 1.946 58.014 56.100 -0.053 0.000 0.926 404 R CB -1.084 29.140 30.300 -0.127 0.000 0.837 404 R HN 0.439 nan 8.270 nan 0.000 0.429 405 A N 0.434 123.250 122.820 -0.007 0.000 1.969 405 A HA -0.046 4.274 4.320 0.000 0.000 0.218 405 A C 2.327 179.918 177.584 0.011 0.000 1.169 405 A CA 1.744 53.788 52.037 0.011 0.000 0.635 405 A CB -0.553 18.467 19.000 0.033 0.000 0.810 405 A HN 0.455 nan 8.150 nan 0.000 0.445 406 A N -0.519 122.307 122.820 0.010 0.000 1.940 406 A HA -0.041 4.279 4.320 0.000 0.000 0.219 406 A C 2.163 179.750 177.584 0.005 0.000 1.176 406 A CA 1.928 53.970 52.037 0.009 0.000 0.631 406 A CB -0.752 18.253 19.000 0.008 0.000 0.814 406 A HN 0.413 nan 8.150 nan 0.000 0.446 407 V N -0.177 119.737 119.914 -0.001 0.000 2.591 407 V HA -0.170 3.950 4.120 0.000 0.000 0.249 407 V C 2.278 178.372 176.094 -0.001 0.000 1.053 407 V CA 1.903 64.201 62.300 -0.002 0.000 1.068 407 V CB -0.662 31.156 31.823 -0.008 0.000 0.689 407 V HN 0.632 nan 8.190 nan 0.000 0.462 408 E N 0.038 120.238 120.200 -0.001 0.000 2.076 408 E HA -0.128 4.222 4.350 0.000 0.000 0.190 408 E C 1.675 178.279 176.600 0.007 0.000 0.979 408 E CA 1.158 57.559 56.400 0.002 0.000 0.807 408 E CB 0.066 29.767 29.700 0.002 0.000 0.761 408 E HN 0.625 nan 8.360 nan 0.000 0.454 409 E N -0.621 119.585 120.200 0.009 0.000 2.572 409 E HA 0.193 4.543 4.350 0.000 0.000 0.220 409 E C 0.356 176.963 176.600 0.011 0.000 0.945 409 E CA 0.153 56.560 56.400 0.011 0.000 1.070 409 E CB 1.559 31.268 29.700 0.015 0.000 1.090 409 E HN 0.222 nan 8.360 nan 0.000 0.506 410 G N 1.134 109.940 108.800 0.010 0.000 2.615 410 G HA2 -0.211 3.749 3.960 0.000 0.000 0.218 410 G HA3 -0.211 3.749 3.960 0.000 0.000 0.218 410 G C -0.423 174.485 174.900 0.013 0.000 1.339 410 G CA -0.464 44.642 45.100 0.011 0.000 0.884 410 G HN 0.493 nan 8.290 nan 0.000 0.559 411 V N -2.818 117.103 119.914 0.013 0.000 3.007 411 V HA 0.978 5.098 4.120 0.000 0.000 0.311 411 V C 0.493 176.596 176.094 0.015 0.000 1.120 411 V CA 0.060 62.368 62.300 0.014 0.000 0.980 411 V CB 1.183 33.013 31.823 0.012 0.000 1.033 411 V HN 2.426 nan 8.190 nan 0.000 0.429 412 V N -0.749 119.175 119.914 0.016 0.000 3.167 412 V HA 1.033 5.153 4.120 0.000 0.000 0.310 412 V C 0.432 176.536 176.094 0.016 0.000 1.207 412 V CA -0.707 61.604 62.300 0.019 0.000 1.059 412 V CB 1.303 33.138 31.823 0.020 0.000 1.079 412 V HN 1.961 nan 8.190 nan 0.000 0.446 413 A N 0.468 123.299 122.820 0.019 0.000 2.440 413 A HA 0.726 5.046 4.320 0.000 0.000 0.251 413 A C 0.777 178.366 177.584 0.009 0.000 1.089 413 A CA 0.516 52.561 52.037 0.012 0.000 0.779 413 A CB -0.175 18.835 19.000 0.017 0.000 1.022 413 A HN 1.869 nan 8.150 nan 0.000 0.492 414 G N 0.432 109.231 108.800 -0.000 0.000 2.494 414 G HA2 0.503 4.463 3.960 0.000 0.000 0.270 414 G HA3 0.503 4.463 3.960 0.000 0.000 0.270 414 G C 1.127 176.026 174.900 -0.002 0.000 1.423 414 G CA -0.036 45.064 45.100 -0.001 0.000 1.055 414 G HN 2.224 nan 8.290 nan 0.000 0.536 415 G N -2.045 106.755 108.800 -0.001 0.000 2.187 415 G HA2 0.191 4.151 3.960 0.000 0.000 0.261 415 G HA3 0.191 4.151 3.960 0.000 0.000 0.261 415 G C 1.529 176.438 174.900 0.016 0.000 1.000 415 G CA 1.199 46.303 45.100 0.006 0.000 0.718 415 G HN 2.464 nan 8.290 nan 0.000 0.519 416 G N -2.069 106.739 108.800 0.014 0.000 2.187 416 G HA2 -0.108 3.852 3.960 0.000 0.000 0.261 416 G HA3 -0.108 3.852 3.960 0.000 0.000 0.261 416 G C 1.782 176.695 174.900 0.021 0.000 1.000 416 G CA 1.998 47.109 45.100 0.017 0.000 0.718 416 G HN 2.265 nan 8.290 nan 0.000 0.519 417 V N -2.853 117.074 119.914 0.022 0.000 3.041 417 V HA 0.439 4.559 4.120 0.000 0.000 0.260 417 V C 2.651 178.765 176.094 0.033 0.000 1.105 417 V CA 1.716 64.034 62.300 0.029 0.000 1.125 417 V CB -0.425 31.412 31.823 0.023 0.000 0.730 417 V HN 1.263 nan 8.190 nan 0.000 0.479 418 A N 0.777 123.614 122.820 0.028 0.000 1.930 418 A HA 0.021 4.341 4.320 0.000 0.000 0.217 418 A C 2.165 179.766 177.584 0.029 0.000 1.175 418 A CA 2.070 54.124 52.037 0.029 0.000 0.627 418 A CB -0.550 18.465 19.000 0.024 0.000 0.815 418 A HN 0.591 nan 8.150 nan 0.000 0.443 419 L N -1.087 120.152 121.223 0.026 0.000 2.179 419 L HA 0.060 4.400 4.340 0.000 0.000 0.208 419 L C 2.341 179.226 176.870 0.026 0.000 1.096 419 L CA 0.729 55.583 54.840 0.024 0.000 0.779 419 L CB -0.190 41.882 42.059 0.021 0.000 0.922 419 L HN 0.415 nan 8.230 nan 0.000 0.443 420 I N -0.394 120.194 120.570 0.030 0.000 2.676 420 I HA -0.225 3.945 4.170 0.000 0.000 0.259 420 I C 2.625 178.766 176.117 0.041 0.000 1.194 420 I CA 0.648 61.968 61.300 0.033 0.000 1.473 420 I CB 0.128 38.150 38.000 0.036 0.000 1.096 420 I HN 0.191 nan 8.210 nan 0.000 0.443 421 R N 0.044 120.571 120.500 0.044 0.000 2.100 421 R HA -0.018 4.322 4.340 0.000 0.000 0.220 421 R C 1.903 178.226 176.300 0.038 0.000 1.091 421 R CA 1.329 57.459 56.100 0.051 0.000 0.986 421 R CB -0.581 29.754 30.300 0.059 0.000 0.888 421 R HN 0.164 nan 8.270 nan 0.000 0.444 422 V N 0.848 120.781 119.914 0.031 0.000 2.307 422 V HA -0.143 3.977 4.120 0.000 0.000 0.245 422 V C 2.290 178.397 176.094 0.021 0.000 1.045 422 V CA 1.899 64.213 62.300 0.024 0.000 1.024 422 V CB -0.806 31.029 31.823 0.020 0.000 0.651 422 V HN 0.501 nan 8.190 nan 0.000 0.449 423 A N 0.727 123.560 122.820 0.021 0.000 1.902 423 A HA -0.223 4.097 4.320 0.000 0.000 0.217 423 A C 2.521 180.117 177.584 0.019 0.000 1.181 423 A CA 2.311 54.359 52.037 0.018 0.000 0.623 423 A CB -0.792 18.219 19.000 0.018 0.000 0.818 423 A HN 0.698 nan 8.150 nan 0.000 0.443 424 S N -0.490 115.225 115.700 0.025 0.000 2.447 424 S HA -0.079 4.391 4.470 0.000 0.000 0.233 424 S C 1.559 176.172 174.600 0.021 0.000 1.006 424 S CA 1.379 59.594 58.200 0.026 0.000 0.957 424 S CB -0.261 62.960 63.200 0.035 0.000 0.773 424 S HN 0.606 nan 8.310 nan 0.000 0.507 425 K N 0.407 120.820 120.400 0.021 0.000 2.393 425 K HA 0.324 4.644 4.320 0.000 0.000 0.193 425 K C 0.513 177.120 176.600 0.012 0.000 1.026 425 K CA 0.180 56.477 56.287 0.016 0.000 1.064 425 K CB 0.003 32.513 32.500 0.018 0.000 0.833 425 K HN 0.408 nan 8.250 nan 0.000 0.521 426 L N 0.154 121.384 121.223 0.012 0.000 2.928 426 L HA 0.251 4.591 4.340 0.000 0.000 0.246 426 L C 1.632 178.507 176.870 0.008 0.000 1.239 426 L CA -0.282 54.563 54.840 0.009 0.000 1.035 426 L CB 0.277 42.341 42.059 0.008 0.000 1.360 426 L HN 0.031 nan 8.230 nan 0.000 0.529 427 A N 0.019 122.845 122.820 0.009 0.000 1.940 427 A HA -0.195 4.125 4.320 0.000 0.000 0.219 427 A C 1.715 179.303 177.584 0.006 0.000 1.176 427 A CA 1.738 53.779 52.037 0.008 0.000 0.631 427 A CB -0.173 18.832 19.000 0.008 0.000 0.814 427 A HN 0.389 nan 8.150 nan 0.000 0.446 428 D N -0.981 119.422 120.400 0.005 0.000 2.339 428 D HA 0.110 4.750 4.640 0.000 0.000 0.217 428 D C 0.051 176.353 176.300 0.003 0.000 1.050 428 D CA -0.133 53.870 54.000 0.004 0.000 0.856 428 D CB 0.004 40.806 40.800 0.003 0.000 0.922 428 D HN 0.317 nan 8.370 nan 0.000 0.518 429 L N 2.523 123.749 121.223 0.004 0.000 2.530 429 L HA 0.062 4.402 4.340 0.000 0.000 0.273 429 L C 0.190 177.061 176.870 0.003 0.000 1.141 429 L CA 0.376 55.218 54.840 0.003 0.000 0.905 429 L CB -0.054 42.007 42.059 0.003 0.000 1.202 429 L HN -0.249 nan 8.230 nan 0.000 0.473 430 R N 3.188 123.689 120.500 0.002 0.000 2.856 430 R HA 0.712 5.052 4.340 0.000 0.000 0.258 430 R C 0.144 176.445 176.300 0.001 0.000 1.066 430 R CA -0.241 55.860 56.100 0.002 0.000 1.045 430 R CB 1.286 31.588 30.300 0.002 0.000 1.178 430 R HN 0.755 nan 8.270 nan 0.000 0.499 431 G N -0.364 108.437 108.800 0.001 0.000 3.019 431 G HA2 0.156 4.116 3.960 0.000 0.000 0.152 431 G HA3 0.156 4.116 3.960 0.000 0.000 0.152 431 G C 0.159 175.060 174.900 0.001 0.000 1.320 431 G CA -0.047 45.053 45.100 0.001 0.000 1.013 431 G HN 0.433 nan 8.290 nan 0.000 0.593 432 Q N -0.722 119.079 119.800 0.001 0.000 2.423 432 Q HA 0.166 4.505 4.340 0.000 0.000 0.231 432 Q C 0.116 176.117 176.000 0.001 0.000 0.894 432 Q CA 0.432 56.236 55.803 0.001 0.000 0.938 432 Q CB 0.444 29.182 28.738 0.001 0.000 1.079 432 Q HN 0.647 nan 8.270 nan 0.000 0.552 433 N N -1.484 117.217 118.700 0.002 0.000 2.761 433 N HA 0.183 4.923 4.740 0.000 0.000 0.283 433 N C -0.104 175.408 175.510 0.002 0.000 1.377 433 N CA -0.634 52.417 53.050 0.002 0.000 0.791 433 N CB 0.634 39.123 38.487 0.002 0.000 1.540 433 N HN -0.335 nan 8.380 nan 0.000 0.539 434 K N -0.750 119.651 120.400 0.002 0.000 2.296 434 K HA 0.088 4.408 4.320 0.000 0.000 0.200 434 K C 0.261 176.862 176.600 0.003 0.000 1.048 434 K CA 1.160 57.449 56.287 0.003 0.000 0.966 434 K CB -0.367 32.134 32.500 0.002 0.000 0.754 434 K HN 0.561 nan 8.250 nan 0.000 0.466 435 D N 0.217 120.619 120.400 0.003 0.000 2.149 435 D HA -0.104 4.536 4.640 0.000 0.000 0.201 435 D C 1.691 177.993 176.300 0.004 0.000 0.972 435 D CA 0.957 54.959 54.000 0.004 0.000 0.835 435 D CB 0.084 40.887 40.800 0.005 0.000 0.966 435 D HN 0.319 nan 8.370 nan 0.000 0.476 436 Q N 0.088 119.891 119.800 0.003 0.000 2.079 436 Q HA -0.100 4.240 4.340 0.000 0.000 0.200 436 Q C 1.728 177.730 176.000 0.003 0.000 0.974 436 Q CA 0.900 56.705 55.803 0.003 0.000 0.840 436 Q CB -0.028 28.712 28.738 0.002 0.000 0.898 436 Q HN 0.223 nan 8.270 nan 0.000 0.430 437 N N 0.059 118.761 118.700 0.003 0.000 2.120 437 N HA -0.134 4.606 4.740 0.000 0.000 0.188 437 N C 1.818 177.330 175.510 0.004 0.000 1.024 437 N CA 1.095 54.147 53.050 0.003 0.000 0.852 437 N CB -0.485 38.003 38.487 0.003 0.000 1.003 437 N HN 0.035 nan 8.380 nan 0.000 0.424 438 V N 0.753 120.669 119.914 0.004 0.000 2.295 438 V HA -0.172 3.948 4.120 0.000 0.000 0.246 438 V C 2.480 178.577 176.094 0.005 0.000 1.049 438 V CA 2.075 64.378 62.300 0.004 0.000 1.024 438 V CB -1.436 30.390 31.823 0.004 0.000 0.648 438 V HN 0.370 nan 8.190 nan 0.000 0.447 439 G N 0.119 108.922 108.800 0.005 0.000 2.505 439 G HA2 -0.280 3.680 3.960 0.000 0.000 0.220 439 G HA3 -0.280 3.680 3.960 0.000 0.000 0.220 439 G C 1.565 176.468 174.900 0.005 0.000 1.145 439 G CA 1.418 46.520 45.100 0.005 0.000 0.761 439 G HN 0.513 nan 8.290 nan 0.000 0.571 440 I N 0.160 120.732 120.570 0.004 0.000 2.179 440 I HA -0.135 4.035 4.170 0.000 0.000 0.242 440 I C 2.786 178.906 176.117 0.005 0.000 1.088 440 I CA 1.021 62.323 61.300 0.004 0.000 1.357 440 I CB -0.168 37.834 38.000 0.003 0.000 1.051 440 I HN -0.013 nan 8.210 nan 0.000 0.409 441 K N 0.675 121.078 120.400 0.005 0.000 2.074 441 K HA -0.146 4.174 4.320 0.000 0.000 0.209 441 K C 2.141 178.745 176.600 0.006 0.000 1.048 441 K CA 1.218 57.509 56.287 0.006 0.000 0.926 441 K CB -0.760 31.743 32.500 0.005 0.000 0.713 441 K HN 0.216 nan 8.250 nan 0.000 0.444 442 V N 1.400 121.318 119.914 0.006 0.000 2.490 442 V HA -0.234 3.886 4.120 0.000 0.000 0.250 442 V C 2.424 178.522 176.094 0.008 0.000 1.061 442 V CA 1.859 64.163 62.300 0.007 0.000 1.064 442 V CB -0.696 31.131 31.823 0.007 0.000 0.670 442 V HN 0.307 nan 8.190 nan 0.000 0.461 443 A N -0.416 122.408 122.820 0.007 0.000 1.929 443 A HA -0.064 4.256 4.320 0.000 0.000 0.216 443 A C 2.167 179.756 177.584 0.009 0.000 1.176 443 A CA 1.382 53.423 52.037 0.007 0.000 0.628 443 A CB -0.379 18.624 19.000 0.005 0.000 0.816 443 A HN 0.501 nan 8.150 nan 0.000 0.444 444 L N -1.296 119.932 121.223 0.008 0.000 2.109 444 L HA -0.078 4.262 4.340 0.000 0.000 0.207 444 L C 2.733 179.609 176.870 0.011 0.000 1.086 444 L CA 1.016 55.861 54.840 0.010 0.000 0.760 444 L CB -0.353 41.712 42.059 0.009 0.000 0.910 444 L HN 0.305 nan 8.230 nan 0.000 0.437 445 R N -0.294 120.212 120.500 0.009 0.000 2.193 445 R HA -0.006 4.334 4.340 0.000 0.000 0.213 445 R C 2.318 178.623 176.300 0.009 0.000 1.055 445 R CA 0.907 57.012 56.100 0.009 0.000 0.995 445 R CB -0.173 30.132 30.300 0.007 0.000 0.893 445 R HN 0.313 nan 8.270 nan 0.000 0.459 446 A N 0.692 123.518 122.820 0.010 0.000 1.930 446 A HA -0.075 4.245 4.320 0.000 0.000 0.215 446 A C 1.963 179.554 177.584 0.012 0.000 1.176 446 A CA 0.783 52.827 52.037 0.011 0.000 0.632 446 A CB -0.210 18.797 19.000 0.012 0.000 0.819 446 A HN 0.156 nan 8.150 nan 0.000 0.445 447 M N -0.177 119.431 119.600 0.013 0.000 2.539 447 M HA -0.118 4.362 4.480 0.000 0.000 0.261 447 M C 1.552 177.861 176.300 0.015 0.000 1.069 447 M CA 1.032 56.341 55.300 0.015 0.000 1.081 447 M CB -0.287 32.323 32.600 0.016 0.000 1.412 447 M HN 0.472 nan 8.290 nan 0.000 0.482 448 E N 0.577 120.785 120.200 0.013 0.000 2.112 448 E HA -0.055 4.295 4.350 0.000 0.000 0.190 448 E C 2.261 178.866 176.600 0.008 0.000 0.979 448 E CA 0.903 57.309 56.400 0.011 0.000 0.814 448 E CB -0.119 29.587 29.700 0.010 0.000 0.762 448 E HN 0.532 nan 8.360 nan 0.000 0.460 449 A N 2.182 125.007 122.820 0.007 0.000 1.958 449 A HA -0.160 4.160 4.320 0.000 0.000 0.221 449 A C -0.414 177.174 177.584 0.006 0.000 1.178 449 A CA 1.387 53.428 52.037 0.005 0.000 0.642 449 A CB -1.437 17.567 19.000 0.007 0.000 0.816 449 A HN 0.146 nan 8.150 nan 0.000 0.453 450 P HA -0.200 nan 4.420 nan 0.000 0.210 450 P C 1.865 179.170 177.300 0.008 0.000 1.185 450 P CA 1.111 64.217 63.100 0.010 0.000 0.924 450 P CB -0.210 31.498 31.700 0.014 0.000 0.786 451 L N -0.780 120.448 121.223 0.009 0.000 2.013 451 L HA -0.263 4.077 4.340 0.000 0.000 0.212 451 L C 2.525 179.389 176.870 -0.010 0.000 1.073 451 L CA 1.865 56.709 54.840 0.006 0.000 0.753 451 L CB -0.355 41.708 42.059 0.008 0.000 0.890 451 L HN -0.148 nan 8.230 nan 0.000 0.432 452 R N -0.850 119.642 120.500 -0.013 0.000 2.091 452 R HA -0.249 4.091 4.340 0.000 0.000 0.238 452 R C 2.330 178.619 176.300 -0.018 0.000 1.136 452 R CA 1.865 57.952 56.100 -0.022 0.000 0.959 452 R CB -0.348 29.943 30.300 -0.014 0.000 0.856 452 R HN 0.417 nan 8.270 nan 0.000 0.437 453 Q N 1.020 120.816 119.800 -0.007 0.000 2.046 453 Q HA -0.078 4.262 4.340 0.000 0.000 0.200 453 Q C 1.851 177.850 176.000 -0.001 0.000 0.975 453 Q CA 1.565 57.365 55.803 -0.004 0.000 0.836 453 Q CB -0.112 28.627 28.738 0.000 0.000 0.896 453 Q HN 0.361 nan 8.270 nan 0.000 0.428 454 I N -0.511 120.061 120.570 0.004 0.000 2.286 454 I HA -0.234 3.936 4.170 0.000 0.000 0.248 454 I C 1.993 178.121 176.117 0.017 0.000 1.115 454 I CA 0.780 62.089 61.300 0.014 0.000 1.392 454 I CB -0.389 37.626 38.000 0.026 0.000 1.065 454 I HN 0.027 nan 8.210 nan 0.000 0.418 455 V N 0.732 120.642 119.914 -0.007 0.000 2.407 455 V HA -0.253 3.867 4.120 0.000 0.000 0.248 455 V C 2.417 178.493 176.094 -0.030 0.000 1.055 455 V CA 1.451 63.724 62.300 -0.044 0.000 1.049 455 V CB -0.558 31.192 31.823 -0.121 0.000 0.662 455 V HN 0.336 nan 8.190 nan 0.000 0.455 456 L N 0.934 122.145 121.223 -0.021 0.000 2.017 456 L HA -0.116 4.224 4.340 0.000 0.000 0.208 456 L C 2.166 179.034 176.870 -0.004 0.000 1.073 456 L CA 1.886 56.718 54.840 -0.013 0.000 0.745 456 L CB -0.918 41.135 42.059 -0.010 0.000 0.894 456 L HN 0.314 nan 8.230 nan 0.000 0.432 457 N N -1.591 117.110 118.700 0.002 0.000 2.443 457 N HA -0.140 4.600 4.740 0.000 0.000 0.184 457 N C 1.582 177.098 175.510 0.011 0.000 1.037 457 N CA 1.321 54.375 53.050 0.006 0.000 0.896 457 N CB -0.489 38.002 38.487 0.007 0.000 0.959 457 N HN 0.402 nan 8.380 nan 0.000 0.442 458 C N -1.374 117.937 119.300 0.018 0.000 2.912 458 C HA 0.367 4.827 4.460 0.000 0.000 0.274 458 C C 1.705 176.708 174.990 0.022 0.000 1.248 458 C CA 0.315 59.351 59.018 0.030 0.000 1.694 458 C CB -0.604 27.177 27.740 0.068 0.000 2.024 458 C HN 0.595 nan 8.230 nan 0.000 0.605 459 G N 1.021 109.826 108.800 0.009 0.000 2.175 459 G HA2 -0.156 3.804 3.960 0.000 0.000 0.244 459 G HA3 -0.156 3.804 3.960 0.000 0.000 0.244 459 G C -0.255 174.645 174.900 -0.001 0.000 0.982 459 G CA 0.066 45.168 45.100 0.004 0.000 0.641 459 G HN 0.498 nan 8.290 nan 0.000 0.527 460 E N 0.783 120.976 120.200 -0.011 0.000 2.283 460 E HA 0.405 4.755 4.350 0.000 0.000 0.267 460 E C 0.192 176.759 176.600 -0.054 0.000 1.045 460 E CA -0.614 55.767 56.400 -0.031 0.000 0.884 460 E CB 0.847 30.514 29.700 -0.056 0.000 1.106 460 E HN 0.535 nan 8.360 nan 0.000 0.408 461 E N 2.502 122.672 120.200 -0.050 0.000 2.265 461 E HA 0.037 4.387 4.350 0.000 0.000 0.272 461 E C -1.625 174.933 176.600 -0.069 0.000 1.067 461 E CA -1.462 54.911 56.400 -0.044 0.000 0.900 461 E CB 0.648 30.333 29.700 -0.025 0.000 1.017 461 E HN 0.180 nan 8.360 nan 0.000 0.431 462 P HA -0.185 nan 4.420 nan 0.000 0.214 462 P C 1.240 178.511 177.300 -0.048 0.000 1.162 462 P CA 1.117 64.177 63.100 -0.066 0.000 0.874 462 P CB 0.182 31.857 31.700 -0.042 0.000 0.784 463 S N -0.740 114.943 115.700 -0.028 0.000 2.420 463 S HA -0.136 4.334 4.470 0.000 0.000 0.237 463 S C 1.977 176.570 174.600 -0.011 0.000 1.023 463 S CA 1.448 59.639 58.200 -0.015 0.000 0.991 463 S CB -1.794 61.400 63.200 -0.010 0.000 0.792 463 S HN -0.042 nan 8.310 nan 0.000 0.488 464 V N 1.202 121.105 119.914 -0.018 0.000 2.302 464 V HA -0.062 4.058 4.120 0.000 0.000 0.243 464 V C 2.549 178.650 176.094 0.012 0.000 1.036 464 V CA 1.228 63.525 62.300 -0.004 0.000 1.020 464 V CB -0.674 31.148 31.823 -0.003 0.000 0.657 464 V HN 0.412 nan 8.190 nan 0.000 0.453 465 V N 0.566 120.465 119.914 -0.025 0.000 2.295 465 V HA -0.276 3.844 4.120 0.000 0.000 0.246 465 V C 2.764 178.875 176.094 0.029 0.000 1.049 465 V CA 2.174 64.455 62.300 -0.031 0.000 1.024 465 V CB -1.189 30.438 31.823 -0.328 0.000 0.648 465 V HN 0.548 nan 8.190 nan 0.000 0.447 466 A N 0.497 123.312 122.820 -0.008 0.000 1.883 466 A HA -0.333 3.987 4.320 0.000 0.000 0.217 466 A C 2.083 179.695 177.584 0.047 0.000 1.186 466 A CA 2.518 54.568 52.037 0.021 0.000 0.624 466 A CB -0.958 18.044 19.000 0.005 0.000 0.822 466 A HN 0.623 nan 8.150 nan 0.000 0.444 467 N N -0.372 118.348 118.700 0.033 0.000 2.036 467 N HA -0.144 4.596 4.740 0.000 0.000 0.195 467 N C 1.669 177.210 175.510 0.052 0.000 1.037 467 N CA 2.549 55.619 53.050 0.034 0.000 0.855 467 N CB -0.675 37.822 38.487 0.017 0.000 1.033 467 N HN 0.415 nan 8.380 nan 0.000 0.423 468 T N -0.356 114.235 114.554 0.062 0.000 2.759 468 T HA -0.080 4.270 4.350 0.000 0.000 0.269 468 T C 1.943 176.738 174.700 0.158 0.000 1.042 468 T CA 1.300 63.427 62.100 0.045 0.000 1.140 468 T CB -0.402 68.441 68.868 -0.041 0.000 0.864 468 T HN 0.052 nan 8.240 nan 0.000 0.455 469 V N 1.261 121.305 119.914 0.217 0.000 2.427 469 V HA -0.123 3.997 4.120 0.000 0.000 0.248 469 V C 2.352 178.566 176.094 0.199 0.000 1.051 469 V CA 1.471 63.916 62.300 0.241 0.000 1.048 469 V CB -0.447 31.474 31.823 0.162 0.000 0.666 469 V HN 0.472 nan 8.190 nan 0.000 0.456 470 K N 0.420 120.894 120.400 0.124 0.000 2.155 470 K HA -0.025 4.295 4.320 0.000 0.000 0.203 470 K C 2.215 178.863 176.600 0.080 0.000 1.052 470 K CA 1.146 57.487 56.287 0.090 0.000 0.948 470 K CB -0.519 32.014 32.500 0.055 0.000 0.728 470 K HN 0.534 nan 8.250 nan 0.000 0.448 471 G N 1.240 110.086 108.800 0.076 0.000 2.432 471 G HA2 -0.144 3.816 3.960 0.000 0.000 0.219 471 G HA3 -0.144 3.816 3.960 0.000 0.000 0.219 471 G C 0.857 175.758 174.900 0.001 0.000 1.135 471 G CA 0.796 45.913 45.100 0.030 0.000 0.767 471 G HN 0.385 nan 8.290 nan 0.000 0.550 472 G N -1.096 107.733 108.800 0.049 0.000 2.504 472 G HA2 0.481 4.441 3.960 0.000 0.000 0.257 472 G HA3 0.481 4.441 3.960 0.000 0.000 0.257 472 G C -0.867 174.042 174.900 0.016 0.000 1.451 472 G CA -0.231 44.824 45.100 -0.075 0.000 1.059 472 G HN 0.162 nan 8.290 nan 0.000 0.550 473 D N -2.721 117.690 120.400 0.019 0.000 2.615 473 D HA 0.517 5.157 4.640 0.000 0.000 0.267 473 D C 0.641 176.997 176.300 0.093 0.000 1.236 473 D CA 0.825 54.853 54.000 0.048 0.000 0.839 473 D CB 1.756 42.557 40.800 0.002 0.000 1.380 473 D HN 1.024 nan 8.370 nan 0.000 0.433 474 G N 1.057 109.902 108.800 0.076 0.000 2.528 474 G HA2 -0.303 3.657 3.960 0.000 0.000 0.262 474 G HA3 -0.303 3.657 3.960 0.000 0.000 0.262 474 G C 0.144 175.106 174.900 0.103 0.000 1.200 474 G CA 0.232 45.379 45.100 0.079 0.000 0.951 474 G HN 0.537 nan 8.290 nan 0.000 0.566 475 N N -0.035 118.728 118.700 0.106 0.000 2.327 475 N HA 0.316 5.056 4.740 0.000 0.000 0.231 475 N C 0.002 175.589 175.510 0.129 0.000 1.130 475 N CA -0.083 53.024 53.050 0.095 0.000 0.845 475 N CB 0.201 38.724 38.487 0.060 0.000 1.073 475 N HN 0.523 nan 8.380 nan 0.000 0.496 476 Y N 1.112 121.443 120.300 0.051 0.000 2.650 476 Y HA 0.335 4.885 4.550 0.000 0.000 0.331 476 Y C 0.844 176.806 175.900 0.104 0.000 1.165 476 Y CA 0.135 58.280 58.100 0.075 0.000 1.473 476 Y CB -0.174 38.328 38.460 0.070 0.000 1.224 476 Y HN 0.093 nan 8.280 nan 0.000 0.533 477 G N 4.366 112.948 108.800 -0.364 0.000 2.911 477 G HA2 0.282 4.242 3.960 0.000 0.000 0.299 477 G HA3 0.282 4.242 3.960 0.000 0.000 0.299 477 G C -2.368 172.388 174.900 -0.241 0.000 1.283 477 G CA -0.930 44.033 45.100 -0.228 0.000 0.805 477 G HN 0.543 nan 8.290 nan 0.000 0.548 478 Y N 1.318 121.440 120.300 -0.296 0.000 2.335 478 Y HA 0.561 5.111 4.550 0.000 0.000 0.338 478 Y C -0.135 175.590 175.900 -0.292 0.000 0.977 478 Y CA -1.219 56.608 58.100 -0.455 0.000 1.114 478 Y CB 1.627 39.731 38.460 -0.593 0.000 1.182 478 Y HN 0.435 nan 8.280 nan 0.000 0.463 479 N N 4.907 123.150 118.700 -0.762 0.000 2.402 479 N HA 0.135 4.875 4.740 0.000 0.000 0.252 479 N C 0.556 175.567 175.510 -0.833 0.000 1.118 479 N CA 0.699 53.392 53.050 -0.596 0.000 0.945 479 N CB 1.552 39.798 38.487 -0.401 0.000 1.147 479 N HN 0.986 nan 8.380 nan 0.000 0.495 480 A N 4.322 126.882 122.820 -0.433 0.000 1.908 480 A HA -0.127 4.193 4.320 0.000 0.000 0.218 480 A C 2.056 179.527 177.584 -0.187 0.000 1.181 480 A CA 1.970 53.881 52.037 -0.209 0.000 0.627 480 A CB -0.646 18.340 19.000 -0.024 0.000 0.818 480 A HN 0.742 nan 8.150 nan 0.000 0.445 481 A N -0.666 122.048 122.820 -0.178 0.000 1.897 481 A HA -0.027 4.293 4.320 0.000 0.000 0.215 481 A C 2.368 179.871 177.584 -0.133 0.000 1.181 481 A CA 2.302 54.268 52.037 -0.118 0.000 0.620 481 A CB -1.059 17.886 19.000 -0.092 0.000 0.821 481 A HN 0.783 nan 8.150 nan 0.000 0.443 482 T N -3.801 110.635 114.554 -0.197 0.000 3.065 482 T HA 0.179 4.529 4.350 0.000 0.000 0.252 482 T C 0.420 175.003 174.700 -0.195 0.000 1.099 482 T CA 0.789 62.789 62.100 -0.167 0.000 1.063 482 T CB -0.264 68.513 68.868 -0.151 0.000 0.948 482 T HN 0.568 nan 8.240 nan 0.000 0.506 483 E N 0.908 120.899 120.200 -0.349 0.000 2.637 483 E HA -0.127 4.223 4.350 0.000 0.000 0.265 483 E C -0.956 175.465 176.600 -0.298 0.000 1.073 483 E CA 0.506 56.719 56.400 -0.312 0.000 0.778 483 E CB -0.888 28.821 29.700 0.016 0.000 1.362 483 E HN 0.662 nan 8.360 nan 0.000 0.413 484 E N -0.133 119.774 120.200 -0.489 0.000 2.222 484 E HA 0.337 4.687 4.350 0.000 0.000 0.267 484 E C -0.468 175.953 176.600 -0.298 0.000 0.884 484 E CA -0.565 55.698 56.400 -0.228 0.000 0.764 484 E CB 1.051 30.684 29.700 -0.112 0.000 1.169 484 E HN 0.053 nan 8.360 nan 0.000 0.413 485 Y N 0.616 120.884 120.300 -0.054 0.000 2.289 485 Y HA 0.536 5.086 4.550 0.000 0.000 0.332 485 Y C 1.419 177.250 175.900 -0.115 0.000 1.324 485 Y CA 1.018 59.057 58.100 -0.102 0.000 1.478 485 Y CB 1.187 39.648 38.460 0.001 0.000 1.378 485 Y HN 0.751 nan 8.280 nan 0.000 0.558 486 G N 0.397 109.142 108.800 -0.091 0.000 2.331 486 G HA2 -0.173 3.787 3.960 0.000 0.000 0.402 486 G HA3 -0.173 3.787 3.960 0.000 0.000 0.402 486 G C -1.429 173.475 174.900 0.007 0.000 1.275 486 G CA -1.135 44.023 45.100 0.097 0.000 1.003 486 G HN 0.610 nan 8.290 nan 0.000 0.500 487 N N 0.678 119.448 118.700 0.116 0.000 2.454 487 N HA 0.132 4.872 4.740 0.000 0.000 0.260 487 N C 1.733 177.246 175.510 0.006 0.000 1.218 487 N CA -0.135 52.962 53.050 0.079 0.000 0.904 487 N CB 0.649 39.188 38.487 0.087 0.000 1.065 487 N HN 0.421 nan 8.380 nan 0.000 0.462 488 M N 3.323 122.918 119.600 -0.008 0.000 2.287 488 M HA -0.060 4.420 4.480 0.000 0.000 0.266 488 M C 1.661 177.951 176.300 -0.015 0.000 1.079 488 M CA 0.560 55.842 55.300 -0.031 0.000 1.146 488 M CB -0.525 32.059 32.600 -0.027 0.000 1.374 488 M HN 0.496 nan 8.290 nan 0.000 0.435 489 I N 1.254 121.827 120.570 0.004 0.000 2.058 489 I HA -0.288 3.882 4.170 0.000 0.000 0.235 489 I C 1.928 178.047 176.117 0.002 0.000 1.053 489 I CA 1.695 62.999 61.300 0.006 0.000 1.313 489 I CB -1.830 36.180 38.000 0.017 0.000 1.039 489 I HN 0.214 nan 8.210 nan 0.000 0.396 490 D N 0.404 120.809 120.400 0.009 0.000 2.203 490 D HA -0.219 4.421 4.640 0.000 0.000 0.199 490 D C 2.292 178.589 176.300 -0.005 0.000 0.997 490 D CA 1.283 55.287 54.000 0.007 0.000 0.863 490 D CB -0.256 40.555 40.800 0.018 0.000 0.928 490 D HN 0.376 nan 8.370 nan 0.000 0.458 491 M N -1.524 118.066 119.600 -0.016 0.000 2.419 491 M HA 0.083 4.563 4.480 0.000 0.000 0.264 491 M C 1.612 177.891 176.300 -0.035 0.000 1.082 491 M CA 1.209 56.489 55.300 -0.034 0.000 1.119 491 M CB 0.496 33.060 32.600 -0.060 0.000 1.398 491 M HN 0.255 nan 8.290 nan 0.000 0.453 492 G N 0.634 109.418 108.800 -0.027 0.000 2.541 492 G HA2 -0.170 3.790 3.960 0.000 0.000 0.201 492 G HA3 -0.170 3.790 3.960 0.000 0.000 0.201 492 G C 0.252 175.138 174.900 -0.024 0.000 1.026 492 G CA -0.587 44.499 45.100 -0.023 0.000 0.687 492 G HN 0.345 nan 8.290 nan 0.000 0.492 493 I N 2.988 123.536 120.570 -0.036 0.000 2.576 493 I HA 0.442 4.612 4.170 0.000 0.000 0.288 493 I C 0.327 176.432 176.117 -0.021 0.000 1.126 493 I CA 0.208 61.487 61.300 -0.034 0.000 1.362 493 I CB -0.017 37.951 38.000 -0.053 0.000 1.419 493 I HN 0.400 nan 8.210 nan 0.000 0.533 494 L N 4.103 125.319 121.223 -0.011 0.000 2.518 494 L HA 0.727 5.067 4.340 0.000 0.000 0.257 494 L C -1.485 175.387 176.870 0.003 0.000 0.980 494 L CA -0.831 54.008 54.840 -0.002 0.000 0.837 494 L CB 1.868 43.927 42.059 0.001 0.000 1.410 494 L HN 0.130 nan 8.230 nan 0.000 0.410 495 D N 0.513 120.918 120.400 0.008 0.000 2.481 495 D HA 0.502 5.142 4.640 0.000 0.000 0.244 495 D C -2.784 173.526 176.300 0.016 0.000 1.057 495 D CA -1.357 52.650 54.000 0.013 0.000 0.848 495 D CB 2.325 43.133 40.800 0.014 0.000 1.388 495 D HN 0.385 nan 8.370 nan 0.000 0.475 496 P HA 0.067 nan 4.420 nan 0.000 0.266 496 P C 0.833 178.147 177.300 0.024 0.000 1.215 496 P CA 0.020 63.133 63.100 0.022 0.000 0.763 496 P CB 0.390 32.106 31.700 0.028 0.000 0.806 497 T N 2.264 116.830 114.554 0.021 0.000 2.848 497 T HA -0.235 4.115 4.350 0.000 0.000 0.269 497 T C 1.520 176.234 174.700 0.024 0.000 1.081 497 T CA 1.398 63.510 62.100 0.020 0.000 1.125 497 T CB -0.259 68.619 68.868 0.017 0.000 0.848 497 T HN 0.484 nan 8.240 nan 0.000 0.503 498 K N 0.892 121.309 120.400 0.028 0.000 2.228 498 K HA -0.022 4.298 4.320 0.000 0.000 0.202 498 K C 2.407 179.036 176.600 0.048 0.000 1.051 498 K CA 0.841 57.150 56.287 0.036 0.000 0.960 498 K CB -0.098 32.425 32.500 0.039 0.000 0.743 498 K HN 0.390 nan 8.250 nan 0.000 0.458 499 V N -1.247 118.694 119.914 0.045 0.000 2.283 499 V HA -0.165 3.955 4.120 0.000 0.000 0.243 499 V C 1.820 177.943 176.094 0.048 0.000 1.039 499 V CA 2.144 64.474 62.300 0.049 0.000 1.016 499 V CB -1.155 30.692 31.823 0.039 0.000 0.650 499 V HN 0.185 nan 8.190 nan 0.000 0.449 500 T N 0.329 114.906 114.554 0.037 0.000 2.788 500 T HA -0.168 4.182 4.350 0.000 0.000 0.268 500 T C 2.005 176.725 174.700 0.034 0.000 1.044 500 T CA 2.059 64.178 62.100 0.033 0.000 1.139 500 T CB -0.422 68.461 68.868 0.025 0.000 0.867 500 T HN 0.598 nan 8.240 nan 0.000 0.454 501 R N 1.035 121.554 120.500 0.030 0.000 2.062 501 R HA -0.069 4.271 4.340 0.000 0.000 0.231 501 R C 2.590 178.904 176.300 0.024 0.000 1.136 501 R CA 1.627 57.739 56.100 0.019 0.000 0.948 501 R CB -0.407 29.900 30.300 0.011 0.000 0.845 501 R HN 0.262 nan 8.270 nan 0.000 0.430 502 S N 0.904 116.641 115.700 0.062 0.000 2.353 502 S HA -0.196 4.274 4.470 0.000 0.000 0.222 502 S C 2.095 176.811 174.600 0.193 0.000 1.035 502 S CA 1.391 59.672 58.200 0.135 0.000 1.025 502 S CB -0.475 62.851 63.200 0.210 0.000 0.902 502 S HN 0.585 nan 8.310 nan 0.000 0.440 503 A N 1.226 124.133 122.820 0.144 0.000 1.903 503 A HA -0.162 4.158 4.320 0.000 0.000 0.219 503 A C 2.182 179.828 177.584 0.104 0.000 1.191 503 A CA 1.841 53.954 52.037 0.126 0.000 0.638 503 A CB -0.858 18.184 19.000 0.071 0.000 0.823 503 A HN 0.409 nan 8.150 nan 0.000 0.451 504 L N -0.595 120.663 121.223 0.058 0.000 2.056 504 L HA -0.160 4.180 4.340 0.000 0.000 0.207 504 L C 2.600 179.476 176.870 0.010 0.000 1.078 504 L CA 2.180 57.039 54.840 0.031 0.000 0.749 504 L CB -0.532 41.535 42.059 0.014 0.000 0.901 504 L HN 0.499 nan 8.230 nan 0.000 0.433 505 Q N -2.050 117.730 119.800 -0.032 0.000 2.119 505 Q HA -0.207 4.133 4.340 0.000 0.000 0.201 505 Q C 2.082 177.982 176.000 -0.167 0.000 0.972 505 Q CA 1.860 57.584 55.803 -0.132 0.000 0.847 505 Q CB -0.176 28.412 28.738 -0.249 0.000 0.903 505 Q HN 0.506 nan 8.270 nan 0.000 0.433 506 Y N 0.076 120.378 120.300 0.004 0.000 2.176 506 Y HA -0.122 4.428 4.550 0.000 0.000 0.291 506 Y C 2.431 178.332 175.900 0.003 0.000 1.122 506 Y CA 0.842 58.944 58.100 0.003 0.000 1.128 506 Y CB -0.830 37.631 38.460 0.002 0.000 1.005 506 Y HN 0.100 nan 8.280 nan 0.000 0.509 507 A N 0.491 123.408 122.820 0.162 0.000 1.909 507 A HA -0.342 3.978 4.320 0.000 0.000 0.221 507 A C 2.308 179.927 177.584 0.058 0.000 1.223 507 A CA 2.802 54.892 52.037 0.088 0.000 0.658 507 A CB -1.433 17.604 19.000 0.062 0.000 0.831 507 A HN 0.441 nan 8.150 nan 0.000 0.462 508 A N -1.938 120.903 122.820 0.035 0.000 2.238 508 A HA 0.264 4.584 4.320 0.000 0.000 0.208 508 A C 2.158 179.748 177.584 0.011 0.000 1.177 508 A CA 1.453 53.499 52.037 0.016 0.000 0.804 508 A CB -0.457 18.543 19.000 -0.000 0.000 0.823 508 A HN 0.514 nan 8.150 nan 0.000 0.482 509 S N -1.323 114.391 115.700 0.023 0.000 2.406 509 S HA -0.038 4.432 4.470 0.000 0.000 0.224 509 S C 1.855 176.482 174.600 0.046 0.000 1.030 509 S CA 1.281 59.495 58.200 0.024 0.000 0.958 509 S CB -0.203 63.017 63.200 0.033 0.000 0.811 509 S HN 0.366 nan 8.310 nan 0.000 0.489 510 V N 1.715 121.667 119.914 0.064 0.000 2.256 510 V HA 0.118 4.238 4.120 0.000 0.000 0.240 510 V C 2.625 178.740 176.094 0.036 0.000 1.036 510 V CA 1.833 64.165 62.300 0.054 0.000 1.008 510 V CB -0.990 30.869 31.823 0.060 0.000 0.648 510 V HN 0.506 nan 8.190 nan 0.000 0.453 511 A N 0.193 123.032 122.820 0.033 0.000 1.927 511 A HA -0.186 4.134 4.320 0.000 0.000 0.220 511 A C 2.335 179.931 177.584 0.021 0.000 1.185 511 A CA 2.415 54.466 52.037 0.025 0.000 0.639 511 A CB -1.615 17.398 19.000 0.023 0.000 0.820 511 A HN 0.745 nan 8.150 nan 0.000 0.451 512 G N -0.235 108.577 108.800 0.020 0.000 2.459 512 G HA2 -0.220 3.740 3.960 0.000 0.000 0.217 512 G HA3 -0.220 3.740 3.960 0.000 0.000 0.217 512 G C 1.561 176.471 174.900 0.016 0.000 1.183 512 G CA 1.152 46.261 45.100 0.015 0.000 0.776 512 G HN 0.469 nan 8.290 nan 0.000 0.552 513 L N -0.344 120.890 121.223 0.019 0.000 2.046 513 L HA -0.057 4.283 4.340 0.000 0.000 0.208 513 L C 3.108 179.989 176.870 0.018 0.000 1.077 513 L CA 1.108 55.959 54.840 0.019 0.000 0.747 513 L CB -0.336 41.736 42.059 0.022 0.000 0.896 513 L HN 0.220 nan 8.230 nan 0.000 0.432 514 M N -0.679 118.933 119.600 0.020 0.000 2.159 514 M HA -0.210 4.270 4.480 0.000 0.000 0.263 514 M C 2.308 178.620 176.300 0.019 0.000 1.063 514 M CA 1.779 57.091 55.300 0.019 0.000 1.110 514 M CB -0.254 32.358 32.600 0.020 0.000 1.374 514 M HN 0.206 nan 8.290 nan 0.000 0.411 515 I N -0.140 120.441 120.570 0.018 0.000 2.226 515 I HA -0.248 3.922 4.170 0.000 0.000 0.245 515 I C 2.070 178.197 176.117 0.018 0.000 1.100 515 I CA 1.627 62.937 61.300 0.017 0.000 1.374 515 I CB -0.386 37.623 38.000 0.015 0.000 1.057 515 I HN 0.387 nan 8.210 nan 0.000 0.413 516 T N -2.713 111.851 114.554 0.018 0.000 3.169 516 T HA 0.091 4.441 4.350 0.000 0.000 0.250 516 T C 0.683 175.396 174.700 0.022 0.000 1.111 516 T CA -0.171 61.940 62.100 0.019 0.000 1.010 516 T CB -0.741 68.137 68.868 0.017 0.000 0.984 516 T HN 0.051 nan 8.240 nan 0.000 0.537 517 T N 2.447 117.014 114.554 0.021 0.000 2.897 517 T HA 0.288 4.638 4.350 0.000 0.000 0.294 517 T C 0.623 175.340 174.700 0.028 0.000 1.004 517 T CA -0.558 61.554 62.100 0.021 0.000 1.106 517 T CB 1.444 70.321 68.868 0.016 0.000 0.949 517 T HN 0.100 nan 8.240 nan 0.000 0.520 518 E N -0.094 120.127 120.200 0.034 0.000 2.508 518 E HA 0.169 4.519 4.350 0.000 0.000 0.217 518 E C 0.065 176.681 176.600 0.027 0.000 0.896 518 E CA 0.045 56.482 56.400 0.062 0.000 1.118 518 E CB 0.831 30.591 29.700 0.101 0.000 1.133 518 E HN 0.586 nan 8.360 nan 0.000 0.526 519 C N 0.819 120.088 119.300 -0.051 0.000 2.698 519 C HA 0.738 5.198 4.460 0.000 0.000 0.309 519 C C -1.128 173.772 174.990 -0.150 0.000 1.186 519 C CA -0.527 58.352 59.018 -0.232 0.000 1.474 519 C CB 0.390 27.992 27.740 -0.230 0.000 2.020 519 C HN 0.151 nan 8.230 nan 0.000 0.474 520 M N 5.935 125.439 119.600 -0.160 0.000 2.124 520 M HA 0.385 4.865 4.480 0.000 0.000 0.280 520 M C -1.135 175.163 176.300 -0.003 0.000 0.954 520 M CA -0.354 54.946 55.300 -0.001 0.000 0.958 520 M CB 1.873 34.600 32.600 0.212 0.000 1.611 520 M HN 0.468 nan 8.290 nan 0.000 0.449 521 V N 2.051 121.904 119.914 -0.101 0.000 2.394 521 V HA 0.685 4.805 4.120 0.000 0.000 0.282 521 V C 0.067 176.038 176.094 -0.204 0.000 1.031 521 V CA -0.279 61.953 62.300 -0.113 0.000 0.881 521 V CB 1.549 33.327 31.823 -0.075 0.000 0.982 521 V HN 0.900 nan 8.190 nan 0.000 0.451 522 T N 2.290 116.692 114.554 -0.253 0.000 2.696 522 T HA 0.389 4.739 4.350 0.000 0.000 0.291 522 T C -1.285 173.325 174.700 -0.151 0.000 1.095 522 T CA -0.634 61.302 62.100 -0.273 0.000 1.026 522 T CB 1.983 70.551 68.868 -0.500 0.000 1.390 522 T HN 0.657 nan 8.240 nan 0.000 0.513 523 D N 1.063 121.388 120.400 -0.125 0.000 2.348 523 D HA 0.408 5.048 4.640 0.000 0.000 0.249 523 D C -0.133 176.140 176.300 -0.045 0.000 1.110 523 D CA -0.286 53.676 54.000 -0.064 0.000 0.967 523 D CB 0.985 41.754 40.800 -0.052 0.000 1.139 523 D HN 0.234 nan 8.370 nan 0.000 0.466 524 L N 1.986 123.202 121.223 -0.011 0.000 2.439 524 L HA 0.201 4.541 4.340 0.000 0.000 0.269 524 L C -1.540 175.331 176.870 0.002 0.000 1.179 524 L CA -0.708 54.139 54.840 0.011 0.000 0.828 524 L CB -0.499 41.571 42.059 0.019 0.000 1.106 524 L HN 0.276 nan 8.230 nan 0.000 0.467 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.105 63.100 0.009 0.000 0.800 525 P CB 0.000 31.713 31.700 0.021 0.000 0.726