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 1mnf_1_K 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 QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK 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 0.000 177.581 177.584 -0.005 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 2 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 3 A N 1.003 123.822 122.820 -0.001 0.000 2.540 3 A HA 0.523 4.843 4.320 0.000 0.000 0.239 3 A C 0.224 177.809 177.584 0.002 0.000 1.061 3 A CA 0.385 52.425 52.037 0.005 0.000 0.758 3 A CB -0.129 18.877 19.000 0.010 0.000 0.991 3 A HN 0.600 nan 8.150 nan 0.000 0.502 4 K N 1.224 121.629 120.400 0.009 0.000 2.185 4 K HA 0.444 4.764 4.320 0.000 0.000 0.240 4 K C -1.138 175.483 176.600 0.036 0.000 0.983 4 K CA -0.686 55.604 56.287 0.006 0.000 0.873 4 K CB 1.420 33.921 32.500 0.002 0.000 1.118 4 K HN 0.722 nan 8.250 nan 0.000 0.441 5 D N 0.966 121.401 120.400 0.059 0.000 2.344 5 D HA 0.292 4.932 4.640 0.000 0.000 0.239 5 D C -1.289 175.146 176.300 0.226 0.000 1.064 5 D CA -0.594 53.498 54.000 0.152 0.000 0.829 5 D CB 1.154 42.086 40.800 0.221 0.000 1.129 5 D HN 0.051 nan 8.370 nan 0.000 0.506 6 V N 4.897 124.880 119.914 0.115 0.000 2.384 6 V HA 0.413 4.533 4.120 0.000 0.000 0.287 6 V C 0.390 176.369 176.094 -0.191 0.000 1.020 6 V CA -0.725 61.554 62.300 -0.034 0.000 0.850 6 V CB 1.507 33.265 31.823 -0.108 0.000 0.987 6 V HN 0.380 nan 8.190 nan 0.000 0.436 7 K N 3.573 123.757 120.400 -0.360 0.000 2.208 7 K HA 0.744 5.064 4.320 0.000 0.000 0.247 7 K C -1.429 174.839 176.600 -0.555 0.000 0.953 7 K CA -0.512 55.498 56.287 -0.462 0.000 0.837 7 K CB 2.304 34.323 32.500 -0.801 0.000 1.131 7 K HN 0.424 nan 8.250 nan 0.000 0.431 8 F N -0.805 119.080 119.950 -0.109 0.000 2.631 8 F HA 0.316 4.843 4.527 0.000 0.000 0.328 8 F C 1.437 177.200 175.800 -0.062 0.000 1.067 8 F CA 0.007 57.971 58.000 -0.061 0.000 0.969 8 F CB 1.166 40.142 39.000 -0.040 0.000 1.332 8 F HN 0.812 nan 8.300 nan 0.000 0.490 9 G N 1.381 110.309 108.800 0.213 0.000 2.738 9 G HA2 -0.488 3.472 3.960 0.000 0.000 0.391 9 G HA3 -0.488 3.472 3.960 0.000 0.000 0.391 9 G C 1.458 176.382 174.900 0.040 0.000 1.049 9 G CA 1.330 46.489 45.100 0.098 0.000 0.855 9 G HN 0.771 nan 8.290 nan 0.000 0.757 10 N N 0.880 119.596 118.700 0.026 0.000 2.120 10 N HA -0.134 4.606 4.740 0.000 0.000 0.188 10 N C 1.775 177.274 175.510 -0.018 0.000 1.024 10 N CA 2.097 55.149 53.050 0.003 0.000 0.852 10 N CB -0.365 38.123 38.487 0.001 0.000 1.003 10 N HN 0.512 nan 8.380 nan 0.000 0.424 11 D N 0.777 121.159 120.400 -0.029 0.000 2.104 11 D HA -0.100 4.540 4.640 0.000 0.000 0.194 11 D C 1.859 178.081 176.300 -0.130 0.000 0.994 11 D CA 1.258 55.209 54.000 -0.081 0.000 0.830 11 D CB -0.480 40.259 40.800 -0.102 0.000 0.959 11 D HN 0.392 nan 8.370 nan 0.000 0.452 12 A N 1.073 123.815 122.820 -0.130 0.000 1.902 12 A HA -0.197 4.123 4.320 0.000 0.000 0.217 12 A C 2.208 179.761 177.584 -0.052 0.000 1.181 12 A CA 1.320 53.273 52.037 -0.140 0.000 0.623 12 A CB -0.418 18.520 19.000 -0.102 0.000 0.818 12 A HN 0.119 nan 8.150 nan 0.000 0.443 13 R N -0.431 120.053 120.500 -0.025 0.000 2.073 13 R HA -0.124 4.216 4.340 0.000 0.000 0.234 13 R C 2.238 178.535 176.300 -0.004 0.000 1.134 13 R CA 1.763 57.860 56.100 -0.004 0.000 0.952 13 R CB -0.816 29.485 30.300 0.002 0.000 0.850 13 R HN 0.605 nan 8.270 nan 0.000 0.433 14 V N -0.086 119.819 119.914 -0.015 0.000 2.490 14 V HA -0.198 3.922 4.120 0.000 0.000 0.250 14 V C 1.957 178.050 176.094 -0.001 0.000 1.061 14 V CA 1.513 63.808 62.300 -0.009 0.000 1.064 14 V CB -0.411 31.403 31.823 -0.015 0.000 0.670 14 V HN 0.102 nan 8.190 nan 0.000 0.461 15 K N 0.182 120.577 120.400 -0.008 0.000 2.026 15 K HA -0.033 4.287 4.320 0.000 0.000 0.208 15 K C 2.270 178.900 176.600 0.052 0.000 1.048 15 K CA 2.206 58.510 56.287 0.030 0.000 0.929 15 K CB -0.585 31.941 32.500 0.044 0.000 0.713 15 K HN 0.547 nan 8.250 nan 0.000 0.439 16 M N 0.404 120.032 119.600 0.047 0.000 2.080 16 M HA -0.198 4.282 4.480 0.000 0.000 0.260 16 M C 2.307 178.624 176.300 0.029 0.000 1.068 16 M CA 1.208 56.535 55.300 0.045 0.000 1.109 16 M CB -0.478 32.145 32.600 0.038 0.000 1.342 16 M HN 0.040 nan 8.290 nan 0.000 0.405 17 L N 0.705 121.940 121.223 0.021 0.000 1.990 17 L HA -0.235 4.105 4.340 0.000 0.000 0.213 17 L C 2.451 179.331 176.870 0.015 0.000 1.072 17 L CA 1.989 56.838 54.840 0.015 0.000 0.755 17 L CB -0.543 41.522 42.059 0.010 0.000 0.889 17 L HN 0.165 nan 8.230 nan 0.000 0.432 18 R N -0.640 119.870 120.500 0.017 0.000 2.091 18 R HA -0.129 4.211 4.340 0.000 0.000 0.238 18 R C 2.231 178.542 176.300 0.018 0.000 1.136 18 R CA 1.240 57.350 56.100 0.017 0.000 0.959 18 R CB -1.083 29.229 30.300 0.019 0.000 0.856 18 R HN 0.617 nan 8.270 nan 0.000 0.437 19 G N 0.798 109.612 108.800 0.024 0.000 2.459 19 G HA2 -0.260 3.700 3.960 0.000 0.000 0.217 19 G HA3 -0.260 3.700 3.960 0.000 0.000 0.217 19 G C 1.484 176.392 174.900 0.013 0.000 1.183 19 G CA 1.128 46.240 45.100 0.021 0.000 0.776 19 G HN 0.338 nan 8.290 nan 0.000 0.552 20 V N -0.223 119.699 119.914 0.013 0.000 2.759 20 V HA -0.079 4.041 4.120 0.000 0.000 0.256 20 V C 2.152 178.250 176.094 0.007 0.000 1.080 20 V CA 2.130 64.436 62.300 0.009 0.000 1.101 20 V CB -0.509 31.321 31.823 0.011 0.000 0.698 20 V HN 0.209 nan 8.190 nan 0.000 0.477 21 N N 0.916 119.620 118.700 0.008 0.000 2.188 21 N HA -0.072 4.668 4.740 0.000 0.000 0.184 21 N C 1.814 177.326 175.510 0.004 0.000 1.018 21 N CA 1.756 54.810 53.050 0.006 0.000 0.858 21 N CB -0.357 38.134 38.487 0.006 0.000 0.989 21 N HN 0.509 nan 8.380 nan 0.000 0.426 22 V N 1.594 121.510 119.914 0.004 0.000 2.358 22 V HA -0.177 3.943 4.120 0.000 0.000 0.246 22 V C 2.374 178.468 176.094 -0.001 0.000 1.047 22 V CA 1.028 63.328 62.300 0.001 0.000 1.035 22 V CB -0.530 31.294 31.823 0.001 0.000 0.658 22 V HN 0.185 nan 8.190 nan 0.000 0.452 23 L N 1.071 122.293 121.223 -0.001 0.000 1.961 23 L HA -0.086 4.254 4.340 0.000 0.000 0.210 23 L C 2.496 179.364 176.870 -0.003 0.000 1.072 23 L CA 2.622 57.459 54.840 -0.004 0.000 0.749 23 L CB -1.229 40.828 42.059 -0.004 0.000 0.889 23 L HN 0.201 nan 8.230 nan 0.000 0.432 24 A N -0.646 122.174 122.820 -0.001 0.000 1.892 24 A HA -0.274 4.046 4.320 0.000 0.000 0.218 24 A C 2.019 179.602 177.584 -0.001 0.000 1.188 24 A CA 2.123 54.161 52.037 0.000 0.000 0.631 24 A CB -1.178 17.824 19.000 0.003 0.000 0.822 24 A HN 0.625 nan 8.150 nan 0.000 0.447 25 D N -0.110 120.290 120.400 -0.000 0.000 2.149 25 D HA -0.078 4.562 4.640 0.000 0.000 0.198 25 D C 2.162 178.461 176.300 -0.002 0.000 0.990 25 D CA 1.544 55.544 54.000 -0.001 0.000 0.839 25 D CB -0.387 40.413 40.800 -0.000 0.000 0.948 25 D HN 0.464 nan 8.370 nan 0.000 0.460 26 A N 0.198 123.016 122.820 -0.003 0.000 1.897 26 A HA -0.079 4.241 4.320 0.000 0.000 0.215 26 A C 2.487 180.068 177.584 -0.006 0.000 1.181 26 A CA 0.963 52.997 52.037 -0.005 0.000 0.620 26 A CB -0.533 18.463 19.000 -0.007 0.000 0.821 26 A HN 0.151 nan 8.150 nan 0.000 0.443 27 V N 1.226 121.137 119.914 -0.006 0.000 2.407 27 V HA -0.206 3.914 4.120 0.000 0.000 0.245 27 V C 2.484 178.576 176.094 -0.004 0.000 1.041 27 V CA 2.095 64.392 62.300 -0.006 0.000 1.040 27 V CB -0.600 31.219 31.823 -0.007 0.000 0.671 27 V HN 0.837 nan 8.190 nan 0.000 0.455 28 K N 1.428 121.827 120.400 -0.002 0.000 2.442 28 K HA -0.098 4.222 4.320 0.000 0.000 0.198 28 K C 1.745 178.345 176.600 -0.001 0.000 1.044 28 K CA 1.659 57.946 56.287 -0.001 0.000 0.948 28 K CB -0.621 31.879 32.500 0.001 0.000 0.762 28 K HN 0.491 nan 8.250 nan 0.000 0.472 29 V N -0.188 119.725 119.914 -0.002 0.000 2.913 29 V HA -0.151 3.969 4.120 0.000 0.000 0.260 29 V C 2.224 178.317 176.094 -0.001 0.000 1.098 29 V CA 1.732 64.031 62.300 -0.001 0.000 1.121 29 V CB -1.066 30.756 31.823 -0.002 0.000 0.714 29 V HN 0.553 nan 8.190 nan 0.000 0.487 30 T N -2.376 112.176 114.554 -0.002 0.000 3.067 30 T HA 0.206 4.556 4.350 0.000 0.000 0.257 30 T C 0.672 175.371 174.700 -0.002 0.000 1.105 30 T CA -0.079 62.020 62.100 -0.003 0.000 1.104 30 T CB -0.289 68.576 68.868 -0.004 0.000 0.925 30 T HN 0.340 nan 8.240 nan 0.000 0.498 31 L N 2.723 123.946 121.223 -0.001 0.000 2.525 31 L HA 0.463 4.803 4.340 0.000 0.000 0.278 31 L C 0.965 177.836 176.870 0.002 0.000 1.218 31 L CA 1.740 56.581 54.840 0.001 0.000 0.878 31 L CB -0.681 41.380 42.059 0.002 0.000 1.127 31 L HN 0.770 nan 8.230 nan 0.000 0.492 32 G N 4.247 113.047 108.800 0.000 0.000 2.746 32 G HA2 -0.147 3.813 3.960 0.000 0.000 0.685 32 G HA3 -0.147 3.813 3.960 0.000 0.000 0.685 32 G C -1.886 173.011 174.900 -0.006 0.000 1.350 32 G CA -0.303 44.797 45.100 -0.000 0.000 0.837 32 G HN 0.617 nan 8.290 nan 0.000 0.564 33 P HA 0.015 nan 4.420 nan 0.000 0.225 33 P C 0.808 178.100 177.300 -0.013 0.000 1.148 33 P CA 1.092 64.180 63.100 -0.019 0.000 0.779 33 P CB 0.166 31.845 31.700 -0.035 0.000 0.780 34 K N 0.212 120.609 120.400 -0.005 0.000 2.514 34 K HA 0.255 4.575 4.320 0.000 0.000 0.207 34 K C 1.056 177.656 176.600 0.001 0.000 1.035 34 K CA -0.244 56.042 56.287 -0.001 0.000 1.113 34 K CB 0.318 32.821 32.500 0.006 0.000 0.846 34 K HN 0.043 nan 8.250 nan 0.000 0.491 35 G N 1.732 110.531 108.800 -0.001 0.000 2.474 35 G HA2 0.007 3.967 3.960 0.000 0.000 0.233 35 G HA3 0.007 3.967 3.960 0.000 0.000 0.233 35 G C 0.156 175.055 174.900 -0.001 0.000 1.278 35 G CA -0.282 44.817 45.100 -0.001 0.000 0.861 35 G HN 0.070 nan 8.290 nan 0.000 0.567 36 R N 0.961 121.460 120.500 -0.001 0.000 2.549 36 R HA 0.213 4.553 4.340 0.000 0.000 0.267 36 R C 0.095 176.393 176.300 -0.003 0.000 1.045 36 R CA -0.753 55.346 56.100 -0.002 0.000 1.115 36 R CB 0.469 30.769 30.300 -0.001 0.000 1.121 36 R HN 0.651 nan 8.270 nan 0.000 0.543 37 N N -0.819 117.880 118.700 -0.003 0.000 2.524 37 N HA 0.292 5.032 4.740 0.000 0.000 0.283 37 N C -0.923 174.584 175.510 -0.004 0.000 1.142 37 N CA -0.382 52.666 53.050 -0.004 0.000 0.984 37 N CB 1.297 39.782 38.487 -0.003 0.000 1.155 37 N HN 0.080 nan 8.380 nan 0.000 0.467 38 V N 2.098 122.009 119.914 -0.005 0.000 2.540 38 V HA 0.336 4.456 4.120 0.000 0.000 0.302 38 V C -0.449 175.641 176.094 -0.007 0.000 1.035 38 V CA -0.772 61.524 62.300 -0.006 0.000 0.873 38 V CB 1.878 33.697 31.823 -0.007 0.000 0.992 38 V HN 0.325 nan 8.190 nan 0.000 0.428 39 V N 6.500 126.409 119.914 -0.008 0.000 2.350 39 V HA 0.448 4.568 4.120 0.000 0.000 0.276 39 V C -0.174 175.913 176.094 -0.012 0.000 1.028 39 V CA -0.401 61.893 62.300 -0.009 0.000 0.860 39 V CB 1.251 33.069 31.823 -0.008 0.000 0.990 39 V HN 0.595 nan 8.190 nan 0.000 0.453 40 L N 3.880 125.095 121.223 -0.012 0.000 2.287 40 L HA 0.519 4.859 4.340 0.000 0.000 0.287 40 L C 0.030 176.889 176.870 -0.019 0.000 1.022 40 L CA -0.529 54.301 54.840 -0.016 0.000 0.814 40 L CB 1.584 43.634 42.059 -0.015 0.000 1.217 40 L HN 0.529 nan 8.230 nan 0.000 0.420 41 D N 3.077 123.462 120.400 -0.026 0.000 2.360 41 D HA 0.266 4.906 4.640 0.000 0.000 0.242 41 D C -0.516 175.760 176.300 -0.041 0.000 1.184 41 D CA 0.230 54.210 54.000 -0.034 0.000 0.930 41 D CB 0.942 41.716 40.800 -0.043 0.000 1.161 41 D HN 0.340 nan 8.370 nan 0.000 0.447 42 K N -0.196 120.174 120.400 -0.051 0.000 2.426 42 K HA 0.231 4.551 4.320 0.000 0.000 0.251 42 K C 0.968 177.491 176.600 -0.129 0.000 0.941 42 K CA -0.575 55.678 56.287 -0.058 0.000 0.808 42 K CB 1.817 34.307 32.500 -0.017 0.000 1.265 42 K HN 0.417 nan 8.250 nan 0.000 0.432 43 S N 0.952 116.537 115.700 -0.192 0.000 2.382 43 S HA -0.047 4.423 4.470 0.000 0.000 0.228 43 S C 0.351 174.496 174.600 -0.759 0.000 1.027 43 S CA 0.868 58.783 58.200 -0.475 0.000 0.991 43 S CB -0.218 62.693 63.200 -0.482 0.000 0.823 43 S HN 0.404 nan 8.310 nan 0.000 0.469 44 F N 1.203 121.151 119.950 -0.004 0.000 2.562 44 F HA 0.698 5.225 4.527 0.000 0.000 0.319 44 F C 0.790 176.589 175.800 -0.003 0.000 1.154 44 F CA -0.015 57.983 58.000 -0.003 0.000 0.931 44 F CB 1.767 40.766 39.000 -0.003 0.000 1.198 44 F HN 0.469 nan 8.300 nan 0.000 0.444 45 G N 1.335 110.236 108.800 0.168 0.000 2.297 45 G HA2 0.441 4.401 3.960 0.000 0.000 0.209 45 G HA3 0.441 4.401 3.960 0.000 0.000 0.209 45 G C -1.659 173.271 174.900 0.050 0.000 1.267 45 G CA -0.402 44.756 45.100 0.096 0.000 1.127 45 G HN 1.045 nan 8.290 nan 0.000 0.498 46 A N 0.620 123.461 122.820 0.034 0.000 2.312 46 A HA 0.888 5.208 4.320 0.000 0.000 0.326 46 A C -1.933 175.657 177.584 0.010 0.000 1.172 46 A CA -0.902 51.146 52.037 0.019 0.000 0.821 46 A CB 0.475 19.485 19.000 0.016 0.000 1.166 46 A HN 0.639 nan 8.150 nan 0.000 0.493 47 P HA 0.174 nan 4.420 nan 0.000 0.269 47 P C -0.234 177.065 177.300 -0.002 0.000 1.211 47 P CA 0.252 63.349 63.100 -0.005 0.000 0.781 47 P CB 0.337 32.032 31.700 -0.008 0.000 0.877 48 T N 2.151 116.703 114.554 -0.004 0.000 2.799 48 T HA 0.471 4.821 4.350 0.000 0.000 0.286 48 T C 0.242 174.939 174.700 -0.004 0.000 0.973 48 T CA -0.216 61.882 62.100 -0.003 0.000 1.035 48 T CB 0.005 68.871 68.868 -0.004 0.000 0.932 48 T HN 0.176 nan 8.240 nan 0.000 0.469 49 I N 3.125 123.693 120.570 -0.003 0.000 2.328 49 I HA 0.423 4.593 4.170 0.000 0.000 0.287 49 I C 0.445 176.560 176.117 -0.003 0.000 1.012 49 I CA -0.383 60.915 61.300 -0.003 0.000 1.195 49 I CB 1.492 39.491 38.000 -0.002 0.000 1.350 49 I HN 0.510 nan 8.210 nan 0.000 0.464 50 T N 4.626 119.177 114.554 -0.004 0.000 2.896 50 T HA 0.419 4.769 4.350 0.000 0.000 0.297 50 T C -0.012 174.685 174.700 -0.005 0.000 1.108 50 T CA -0.588 61.509 62.100 -0.005 0.000 1.004 50 T CB 1.718 70.582 68.868 -0.006 0.000 1.159 50 T HN 0.620 nan 8.240 nan 0.000 0.499 51 K N 1.550 121.948 120.400 -0.005 0.000 2.506 51 K HA 0.195 4.515 4.320 0.000 0.000 0.204 51 K C -0.719 175.877 176.600 -0.006 0.000 1.045 51 K CA -0.247 56.038 56.287 -0.005 0.000 1.074 51 K CB 0.500 32.997 32.500 -0.004 0.000 0.842 51 K HN 0.444 nan 8.250 nan 0.000 0.514 52 D N 0.353 120.749 120.400 -0.006 0.000 2.441 52 D HA 0.111 4.751 4.640 0.000 0.000 0.221 52 D C 1.270 177.564 176.300 -0.010 0.000 1.156 52 D CA -0.169 53.826 54.000 -0.008 0.000 0.896 52 D CB 0.994 41.789 40.800 -0.008 0.000 1.028 52 D HN 0.224 nan 8.370 nan 0.000 0.509 53 G N 2.331 111.124 108.800 -0.010 0.000 2.503 53 G HA2 -0.287 3.673 3.960 0.000 0.000 0.221 53 G HA3 -0.287 3.673 3.960 0.000 0.000 0.221 53 G C 1.544 176.435 174.900 -0.016 0.000 1.131 53 G CA 0.945 46.038 45.100 -0.012 0.000 0.756 53 G HN 0.482 nan 8.290 nan 0.000 0.572 54 V N 0.836 120.739 119.914 -0.019 0.000 2.343 54 V HA -0.190 3.930 4.120 0.000 0.000 0.247 54 V C 3.100 179.181 176.094 -0.022 0.000 1.051 54 V CA 2.239 64.525 62.300 -0.024 0.000 1.036 54 V CB -0.543 31.263 31.823 -0.028 0.000 0.654 54 V HN 0.391 nan 8.190 nan 0.000 0.451 55 S N -0.116 115.574 115.700 -0.018 0.000 2.368 55 S HA -0.171 4.299 4.470 0.000 0.000 0.225 55 S C 2.019 176.609 174.600 -0.017 0.000 1.030 55 S CA 1.558 59.748 58.200 -0.016 0.000 0.999 55 S CB -0.242 62.950 63.200 -0.012 0.000 0.844 55 S HN 0.398 nan 8.310 nan 0.000 0.459 56 V N 2.144 122.048 119.914 -0.015 0.000 2.295 56 V HA -0.212 3.908 4.120 0.000 0.000 0.246 56 V C 2.688 178.772 176.094 -0.017 0.000 1.049 56 V CA 1.690 63.981 62.300 -0.015 0.000 1.024 56 V CB -1.333 30.483 31.823 -0.013 0.000 0.648 56 V HN 0.541 nan 8.190 nan 0.000 0.447 57 A N -0.157 122.652 122.820 -0.019 0.000 1.917 57 A HA -0.309 4.011 4.320 0.000 0.000 0.219 57 A C 2.427 179.997 177.584 -0.024 0.000 1.182 57 A CA 2.282 54.306 52.037 -0.021 0.000 0.633 57 A CB -0.664 18.321 19.000 -0.024 0.000 0.819 57 A HN 0.465 nan 8.150 nan 0.000 0.448 58 R N -0.622 119.863 120.500 -0.025 0.000 2.105 58 R HA -0.137 4.203 4.340 0.000 0.000 0.239 58 R C 1.378 177.662 176.300 -0.026 0.000 1.135 58 R CA 1.508 57.591 56.100 -0.027 0.000 0.967 58 R CB -0.113 30.171 30.300 -0.027 0.000 0.861 58 R HN 0.471 nan 8.270 nan 0.000 0.442 59 E N 0.218 120.404 120.200 -0.024 0.000 2.435 59 E HA -0.016 4.334 4.350 0.000 0.000 0.195 59 E C 0.228 176.814 176.600 -0.023 0.000 1.029 59 E CA 0.211 56.597 56.400 -0.024 0.000 0.865 59 E CB 0.184 29.871 29.700 -0.022 0.000 0.833 59 E HN 0.232 nan 8.360 nan 0.000 0.510 60 I N 2.055 122.612 120.570 -0.021 0.000 2.436 60 I HA 0.127 4.297 4.170 0.000 0.000 0.289 60 I C 0.338 176.442 176.117 -0.021 0.000 1.083 60 I CA 0.213 61.501 61.300 -0.020 0.000 1.372 60 I CB 0.011 38.002 38.000 -0.016 0.000 1.408 60 I HN -0.077 nan 8.210 nan 0.000 0.516 61 E N 7.103 127.290 120.200 -0.021 0.000 2.287 61 E HA 0.473 4.823 4.350 0.000 0.000 0.274 61 E C -1.528 175.060 176.600 -0.021 0.000 0.896 61 E CA -0.590 55.796 56.400 -0.024 0.000 0.788 61 E CB 1.929 31.613 29.700 -0.027 0.000 1.244 61 E HN 0.442 nan 8.360 nan 0.000 0.408 62 L N 3.400 124.612 121.223 -0.019 0.000 2.360 62 L HA 0.348 4.688 4.340 0.000 0.000 0.271 62 L C 1.558 178.417 176.870 -0.018 0.000 1.057 62 L CA -0.347 54.485 54.840 -0.014 0.000 0.803 62 L CB 1.371 43.427 42.059 -0.005 0.000 1.207 62 L HN 0.747 nan 8.230 nan 0.000 0.445 63 E N 0.945 121.137 120.200 -0.012 0.000 2.047 63 E HA -0.184 4.166 4.350 0.000 0.000 0.191 63 E C 0.554 177.147 176.600 -0.012 0.000 0.987 63 E CA 0.645 57.037 56.400 -0.014 0.000 0.799 63 E CB 0.246 29.942 29.700 -0.007 0.000 0.752 63 E HN 0.651 nan 8.360 nan 0.000 0.449 64 D N 0.691 121.095 120.400 0.006 0.000 2.382 64 D HA -0.056 4.584 4.640 0.000 0.000 0.259 64 D C 0.631 176.925 176.300 -0.010 0.000 1.224 64 D CA 0.054 54.070 54.000 0.026 0.000 0.894 64 D CB 0.876 41.718 40.800 0.069 0.000 1.127 64 D HN 0.084 nan 8.370 nan 0.000 0.487 65 K N 3.481 123.828 120.400 -0.089 0.000 2.113 65 K HA -0.189 4.131 4.320 0.000 0.000 0.208 65 K C 1.865 178.297 176.600 -0.279 0.000 1.047 65 K CA 1.231 57.380 56.287 -0.230 0.000 0.928 65 K CB -0.268 32.002 32.500 -0.382 0.000 0.716 65 K HN 0.481 nan 8.250 nan 0.000 0.446 66 F N 1.713 121.648 119.950 -0.025 0.000 2.163 66 F HA -0.063 4.464 4.527 0.000 0.000 0.297 66 F C 2.416 178.202 175.800 -0.022 0.000 1.094 66 F CA 1.066 59.050 58.000 -0.028 0.000 1.290 66 F CB -0.443 38.539 39.000 -0.030 0.000 1.017 66 F HN 0.090 nan 8.300 nan 0.000 0.483 67 E N -0.110 120.184 120.200 0.157 0.000 2.110 67 E HA -0.242 4.108 4.350 0.000 0.000 0.193 67 E C 1.795 178.417 176.600 0.037 0.000 0.988 67 E CA 1.221 57.670 56.400 0.083 0.000 0.804 67 E CB -0.324 29.413 29.700 0.062 0.000 0.745 67 E HN 0.312 nan 8.360 nan 0.000 0.458 68 N N 0.639 119.344 118.700 0.008 0.000 2.142 68 N HA -0.130 4.610 4.740 0.000 0.000 0.186 68 N C 1.728 177.226 175.510 -0.020 0.000 1.023 68 N CA 1.164 54.203 53.050 -0.018 0.000 0.852 68 N CB 0.019 38.480 38.487 -0.043 0.000 0.998 68 N HN 0.049 nan 8.380 nan 0.000 0.424 69 M N -0.665 118.919 119.600 -0.026 0.000 2.149 69 M HA -0.039 4.441 4.480 0.000 0.000 0.261 69 M C 2.108 178.411 176.300 0.006 0.000 1.064 69 M CA 1.627 56.915 55.300 -0.020 0.000 1.102 69 M CB -0.486 32.100 32.600 -0.023 0.000 1.369 69 M HN 0.306 nan 8.290 nan 0.000 0.408 70 G N -0.125 108.690 108.800 0.025 0.000 2.421 70 G HA2 -0.176 3.784 3.960 0.000 0.000 0.216 70 G HA3 -0.176 3.784 3.960 0.000 0.000 0.216 70 G C 1.621 176.528 174.900 0.012 0.000 1.171 70 G CA 1.020 46.136 45.100 0.026 0.000 0.775 70 G HN 0.545 nan 8.290 nan 0.000 0.543 71 A N 0.015 122.838 122.820 0.006 0.000 1.877 71 A HA -0.064 4.256 4.320 0.000 0.000 0.216 71 A C 2.410 179.990 177.584 -0.008 0.000 1.186 71 A CA 1.998 54.035 52.037 -0.001 0.000 0.620 71 A CB -0.402 18.596 19.000 -0.004 0.000 0.822 71 A HN 0.306 nan 8.150 nan 0.000 0.443 72 Q N -0.474 119.319 119.800 -0.013 0.000 2.170 72 Q HA -0.133 4.207 4.340 0.000 0.000 0.203 72 Q C 2.116 178.107 176.000 -0.015 0.000 0.976 72 Q CA 1.571 57.363 55.803 -0.018 0.000 0.858 72 Q CB -0.581 28.142 28.738 -0.025 0.000 0.907 72 Q HN 0.792 nan 8.270 nan 0.000 0.433 73 M N -0.231 119.365 119.600 -0.007 0.000 2.077 73 M HA -0.125 4.355 4.480 0.000 0.000 0.261 73 M C 2.319 178.619 176.300 0.000 0.000 1.070 73 M CA 1.517 56.817 55.300 -0.001 0.000 1.125 73 M CB -0.543 32.062 32.600 0.008 0.000 1.339 73 M HN 0.172 nan 8.290 nan 0.000 0.409 74 V N -0.193 119.722 119.914 0.003 0.000 2.548 74 V HA -0.210 3.910 4.120 0.000 0.000 0.249 74 V C 2.114 178.201 176.094 -0.010 0.000 1.055 74 V CA 1.908 64.211 62.300 0.005 0.000 1.065 74 V CB -0.659 31.169 31.823 0.010 0.000 0.681 74 V HN 0.467 nan 8.190 nan 0.000 0.462 75 K N -0.560 119.830 120.400 -0.016 0.000 2.103 75 K HA -0.221 4.099 4.320 0.000 0.000 0.207 75 K C 2.330 178.905 176.600 -0.042 0.000 1.048 75 K CA 1.956 58.227 56.287 -0.027 0.000 0.930 75 K CB -0.152 32.333 32.500 -0.025 0.000 0.716 75 K HN 0.563 nan 8.250 nan 0.000 0.444 76 E N 0.120 120.296 120.200 -0.039 0.000 2.028 76 E HA -0.144 4.206 4.350 0.000 0.000 0.191 76 E C 2.056 178.606 176.600 -0.084 0.000 0.988 76 E CA 1.602 57.970 56.400 -0.053 0.000 0.799 76 E CB -0.132 29.547 29.700 -0.035 0.000 0.755 76 E HN 0.314 nan 8.360 nan 0.000 0.447 77 V N -0.973 118.904 119.914 -0.062 0.000 2.667 77 V HA 0.028 4.148 4.120 0.000 0.000 0.252 77 V C 2.236 178.219 176.094 -0.184 0.000 1.065 77 V CA 1.588 63.831 62.300 -0.095 0.000 1.083 77 V CB -0.602 31.257 31.823 0.059 0.000 0.692 77 V HN 0.164 nan 8.190 nan 0.000 0.468 78 A N 1.808 124.571 122.820 -0.096 0.000 1.902 78 A HA -0.155 4.165 4.320 0.000 0.000 0.217 78 A C 2.630 180.119 177.584 -0.158 0.000 1.181 78 A CA 2.451 54.436 52.037 -0.088 0.000 0.623 78 A CB -1.076 17.901 19.000 -0.040 0.000 0.818 78 A HN 0.980 nan 8.150 nan 0.000 0.443 79 S N -0.010 115.598 115.700 -0.154 0.000 2.399 79 S HA -0.185 4.285 4.470 0.000 0.000 0.231 79 S C 1.800 176.253 174.600 -0.244 0.000 1.022 79 S CA 1.481 59.587 58.200 -0.157 0.000 0.983 79 S CB -0.430 62.700 63.200 -0.116 0.000 0.803 79 S HN 0.591 nan 8.310 nan 0.000 0.480 80 K N 1.407 121.571 120.400 -0.392 0.000 2.152 80 K HA -0.028 4.292 4.320 0.000 0.000 0.206 80 K C 2.492 178.704 176.600 -0.647 0.000 1.048 80 K CA 1.201 57.132 56.287 -0.594 0.000 0.933 80 K CB -0.578 31.329 32.500 -0.989 0.000 0.721 80 K HN 0.553 nan 8.250 nan 0.000 0.447 81 A N 1.806 124.273 122.820 -0.587 0.000 1.858 81 A HA -0.234 4.086 4.320 0.000 0.000 0.216 81 A C 1.921 179.446 177.584 -0.098 0.000 1.190 81 A CA 1.941 53.865 52.037 -0.189 0.000 0.617 81 A CB -0.768 18.219 19.000 -0.022 0.000 0.827 81 A HN 0.281 nan 8.150 nan 0.000 0.443 82 N N 0.090 118.720 118.700 -0.117 0.000 2.137 82 N HA -0.157 4.583 4.740 0.000 0.000 0.190 82 N C 1.145 176.585 175.510 -0.117 0.000 1.017 82 N CA 1.690 54.681 53.050 -0.099 0.000 0.859 82 N CB -0.197 38.231 38.487 -0.098 0.000 1.002 82 N HN 0.453 nan 8.380 nan 0.000 0.428 83 D N -0.471 119.850 120.400 -0.131 0.000 2.117 83 D HA -0.050 4.590 4.640 0.000 0.000 0.198 83 D C 1.728 177.982 176.300 -0.076 0.000 0.982 83 D CA 1.143 55.073 54.000 -0.116 0.000 0.828 83 D CB -0.409 40.320 40.800 -0.119 0.000 0.967 83 D HN 0.349 nan 8.370 nan 0.000 0.464 84 A N 0.248 123.044 122.820 -0.041 0.000 1.968 84 A HA 0.224 4.544 4.320 0.000 0.000 0.217 84 A C 1.921 179.520 177.584 0.024 0.000 1.169 84 A CA 1.742 53.797 52.037 0.029 0.000 0.638 84 A CB 0.035 19.117 19.000 0.137 0.000 0.812 84 A HN 0.222 nan 8.150 nan 0.000 0.446 85 A N -2.835 119.989 122.820 0.005 0.000 2.628 85 A HA 0.479 4.799 4.320 0.000 0.000 0.267 85 A C 1.474 179.045 177.584 -0.021 0.000 1.159 85 A CA 0.928 52.971 52.037 0.011 0.000 0.972 85 A CB -0.385 18.635 19.000 0.033 0.000 1.211 85 A HN 1.826 nan 8.150 nan 0.000 0.576 86 G N -0.477 108.270 108.800 -0.088 0.000 2.155 86 G HA2 -0.178 3.782 3.960 0.000 0.000 0.257 86 G HA3 -0.178 3.782 3.960 0.000 0.000 0.257 86 G C -0.154 174.699 174.900 -0.079 0.000 0.983 86 G CA 0.788 45.795 45.100 -0.156 0.000 0.676 86 G HN 0.924 nan 8.290 nan 0.000 0.528 87 D N -3.196 117.177 120.400 -0.046 0.000 2.807 87 D HA 0.560 5.200 4.640 0.000 0.000 0.279 87 D C 0.827 177.120 176.300 -0.010 0.000 1.247 87 D CA 1.418 55.404 54.000 -0.024 0.000 0.749 87 D CB 0.303 41.100 40.800 -0.005 0.000 1.264 87 D HN 1.360 nan 8.370 nan 0.000 0.421 88 G N -0.140 108.656 108.800 -0.006 0.000 2.201 88 G HA2 -0.286 3.674 3.960 0.000 0.000 0.212 88 G HA3 -0.286 3.674 3.960 0.000 0.000 0.212 88 G C 1.071 175.971 174.900 0.001 0.000 0.994 88 G CA 1.380 46.484 45.100 0.007 0.000 0.644 88 G HN 0.983 nan 8.290 nan 0.000 0.508 89 T N -1.445 113.097 114.554 -0.020 0.000 2.684 89 T HA -0.132 4.218 4.350 0.000 0.000 0.267 89 T C 2.218 176.910 174.700 -0.013 0.000 1.036 89 T CA 2.667 64.750 62.100 -0.028 0.000 1.148 89 T CB -0.920 67.921 68.868 -0.045 0.000 0.863 89 T HN 0.319 nan 8.240 nan 0.000 0.436 90 T N 1.855 116.402 114.554 -0.011 0.000 2.684 90 T HA -0.124 4.226 4.350 0.000 0.000 0.267 90 T C 2.277 176.978 174.700 0.002 0.000 1.036 90 T CA 1.958 64.055 62.100 -0.005 0.000 1.148 90 T CB -1.077 67.788 68.868 -0.005 0.000 0.863 90 T HN 0.528 nan 8.240 nan 0.000 0.436 91 T N 1.954 116.512 114.554 0.006 0.000 2.684 91 T HA -0.081 4.269 4.350 0.000 0.000 0.267 91 T C 2.371 177.083 174.700 0.020 0.000 1.036 91 T CA 1.283 63.391 62.100 0.013 0.000 1.148 91 T CB -0.612 68.266 68.868 0.017 0.000 0.863 91 T HN 0.445 nan 8.240 nan 0.000 0.436 92 A N 1.093 123.929 122.820 0.026 0.000 1.940 92 A HA -0.145 4.175 4.320 0.000 0.000 0.219 92 A C 2.551 180.152 177.584 0.028 0.000 1.176 92 A CA 2.162 54.224 52.037 0.040 0.000 0.631 92 A CB -1.212 17.820 19.000 0.054 0.000 0.814 92 A HN 0.488 nan 8.150 nan 0.000 0.446 93 T N -0.330 114.232 114.554 0.014 0.000 2.737 93 T HA -0.126 4.224 4.350 0.000 0.000 0.265 93 T C 2.024 176.731 174.700 0.011 0.000 1.038 93 T CA 1.948 64.054 62.100 0.009 0.000 1.144 93 T CB -0.691 68.177 68.868 0.000 0.000 0.866 93 T HN 0.678 nan 8.240 nan 0.000 0.434 94 V N 0.524 120.444 119.914 0.010 0.000 2.515 94 V HA 0.005 4.125 4.120 0.000 0.000 0.250 94 V C 2.198 178.299 176.094 0.012 0.000 1.058 94 V CA 1.356 63.661 62.300 0.009 0.000 1.064 94 V CB -0.999 30.828 31.823 0.007 0.000 0.675 94 V HN 0.454 nan 8.190 nan 0.000 0.461 95 L N 0.516 121.749 121.223 0.016 0.000 2.083 95 L HA -0.034 4.306 4.340 0.000 0.000 0.209 95 L C 3.032 179.914 176.870 0.019 0.000 1.083 95 L CA 1.648 56.499 54.840 0.018 0.000 0.752 95 L CB -0.836 41.237 42.059 0.024 0.000 0.899 95 L HN 0.471 nan 8.230 nan 0.000 0.433 96 A N -0.545 122.288 122.820 0.022 0.000 1.898 96 A HA -0.270 4.050 4.320 0.000 0.000 0.216 96 A C 2.248 179.842 177.584 0.017 0.000 1.181 96 A CA 1.694 53.745 52.037 0.023 0.000 0.620 96 A CB -0.531 18.485 19.000 0.026 0.000 0.819 96 A HN 0.492 nan 8.150 nan 0.000 0.442 97 Q N -0.404 119.404 119.800 0.014 0.000 2.084 97 Q HA -0.135 4.205 4.340 0.000 0.000 0.202 97 Q C 2.147 178.153 176.000 0.010 0.000 0.978 97 Q CA 1.660 57.469 55.803 0.011 0.000 0.844 97 Q CB -0.348 28.395 28.738 0.008 0.000 0.898 97 Q HN 0.589 nan 8.270 nan 0.000 0.426 98 A N 0.979 123.805 122.820 0.010 0.000 1.858 98 A HA -0.160 4.160 4.320 0.000 0.000 0.216 98 A C 2.014 179.604 177.584 0.009 0.000 1.190 98 A CA 1.482 53.524 52.037 0.009 0.000 0.617 98 A CB -0.725 18.281 19.000 0.009 0.000 0.827 98 A HN 0.485 nan 8.150 nan 0.000 0.443 99 I N -0.278 120.299 120.570 0.011 0.000 2.179 99 I HA -0.266 3.904 4.170 0.000 0.000 0.242 99 I C 2.364 178.487 176.117 0.011 0.000 1.088 99 I CA 1.432 62.738 61.300 0.011 0.000 1.357 99 I CB -0.476 37.531 38.000 0.013 0.000 1.051 99 I HN 0.296 nan 8.210 nan 0.000 0.409 100 I N 0.456 121.033 120.570 0.012 0.000 2.179 100 I HA -0.283 3.887 4.170 0.000 0.000 0.242 100 I C 2.640 178.763 176.117 0.010 0.000 1.088 100 I CA 1.613 62.920 61.300 0.012 0.000 1.357 100 I CB -0.659 37.349 38.000 0.014 0.000 1.051 100 I HN 0.263 nan 8.210 nan 0.000 0.409 101 T N 0.314 114.873 114.554 0.009 0.000 2.652 101 T HA -0.184 4.166 4.350 0.000 0.000 0.267 101 T C 1.845 176.548 174.700 0.006 0.000 1.039 101 T CA 1.443 63.548 62.100 0.007 0.000 1.153 101 T CB -0.173 68.699 68.868 0.006 0.000 0.863 101 T HN 0.292 nan 8.240 nan 0.000 0.428 102 E N 0.523 120.727 120.200 0.006 0.000 2.072 102 E HA 0.000 4.351 4.350 0.000 0.000 0.190 102 E C 2.574 179.178 176.600 0.006 0.000 0.982 102 E CA 1.036 57.439 56.400 0.005 0.000 0.803 102 E CB -0.923 28.780 29.700 0.005 0.000 0.755 102 E HN 0.557 nan 8.360 nan 0.000 0.453 103 G N 1.508 110.313 108.800 0.007 0.000 2.440 103 G HA2 -0.239 3.721 3.960 0.000 0.000 0.218 103 G HA3 -0.239 3.721 3.960 0.000 0.000 0.218 103 G C 1.727 176.631 174.900 0.007 0.000 1.154 103 G CA 0.645 45.750 45.100 0.007 0.000 0.767 103 G HN 0.188 nan 8.290 nan 0.000 0.552 104 L N -0.315 120.912 121.223 0.008 0.000 2.141 104 L HA -0.008 4.332 4.340 0.000 0.000 0.209 104 L C 2.947 179.820 176.870 0.005 0.000 1.094 104 L CA 0.968 55.812 54.840 0.007 0.000 0.763 104 L CB -0.277 41.786 42.059 0.007 0.000 0.908 104 L HN 0.196 nan 8.230 nan 0.000 0.437 105 K N 0.181 120.584 120.400 0.005 0.000 2.026 105 K HA -0.155 4.165 4.320 0.000 0.000 0.208 105 K C 2.260 178.862 176.600 0.003 0.000 1.048 105 K CA 1.411 57.700 56.287 0.003 0.000 0.929 105 K CB -0.229 32.272 32.500 0.003 0.000 0.713 105 K HN 0.265 nan 8.250 nan 0.000 0.439 106 A N 0.950 123.772 122.820 0.004 0.000 1.940 106 A HA -0.147 4.173 4.320 0.000 0.000 0.219 106 A C 2.328 179.914 177.584 0.004 0.000 1.176 106 A CA 1.575 53.614 52.037 0.004 0.000 0.631 106 A CB -0.685 18.317 19.000 0.004 0.000 0.814 106 A HN 0.094 nan 8.150 nan 0.000 0.446 107 V N -0.240 119.677 119.914 0.005 0.000 2.295 107 V HA -0.248 3.872 4.120 0.000 0.000 0.246 107 V C 3.041 179.138 176.094 0.005 0.000 1.049 107 V CA 1.968 64.272 62.300 0.006 0.000 1.024 107 V CB -1.255 30.573 31.823 0.008 0.000 0.648 107 V HN 0.615 nan 8.190 nan 0.000 0.447 108 A N -0.051 122.771 122.820 0.004 0.000 2.019 108 A HA -0.033 4.287 4.320 0.000 0.000 0.219 108 A C 2.218 179.803 177.584 0.001 0.000 1.164 108 A CA 1.697 53.736 52.037 0.002 0.000 0.644 108 A CB -0.590 18.411 19.000 0.001 0.000 0.805 108 A HN 0.605 nan 8.150 nan 0.000 0.449 109 A N -1.716 121.105 122.820 0.001 0.000 2.235 109 A HA 0.395 4.715 4.320 0.000 0.000 0.208 109 A C 1.734 179.319 177.584 0.000 0.000 1.172 109 A CA 1.210 53.248 52.037 0.001 0.000 0.786 109 A CB -0.972 18.029 19.000 0.001 0.000 0.804 109 A HN 1.869 nan 8.150 nan 0.000 0.479 110 G N -1.806 106.995 108.800 0.001 0.000 2.141 110 G HA2 -0.231 3.729 3.960 0.000 0.000 0.231 110 G HA3 -0.231 3.729 3.960 0.000 0.000 0.231 110 G C 0.145 175.046 174.900 0.001 0.000 0.984 110 G CA 0.275 45.376 45.100 0.001 0.000 0.660 110 G HN 0.393 nan 8.290 nan 0.000 0.525 111 M N 0.437 120.038 119.600 0.002 0.000 2.255 111 M HA 0.254 4.734 4.480 0.000 0.000 0.336 111 M C 0.718 177.021 176.300 0.004 0.000 1.135 111 M CA -0.616 54.685 55.300 0.003 0.000 1.145 111 M CB 0.464 33.066 32.600 0.003 0.000 1.473 111 M HN 0.124 nan 8.290 nan 0.000 0.462 112 N N 2.601 121.303 118.700 0.004 0.000 2.438 112 N HA 0.073 4.813 4.740 0.000 0.000 0.267 112 N C -2.074 173.440 175.510 0.006 0.000 1.222 112 N CA -1.218 51.834 53.050 0.005 0.000 0.930 112 N CB 0.987 39.476 38.487 0.004 0.000 1.083 112 N HN 0.289 nan 8.380 nan 0.000 0.476 113 P HA -0.155 nan 4.420 nan 0.000 0.215 113 P C 1.684 178.989 177.300 0.009 0.000 1.157 113 P CA 1.453 64.559 63.100 0.010 0.000 0.874 113 P CB 0.199 31.907 31.700 0.013 0.000 0.790 114 M N -0.791 118.814 119.600 0.009 0.000 2.108 114 M HA -0.148 4.332 4.480 0.000 0.000 0.261 114 M C 1.585 177.888 176.300 0.005 0.000 1.066 114 M CA 1.702 57.006 55.300 0.007 0.000 1.107 114 M CB -1.850 30.754 32.600 0.007 0.000 1.356 114 M HN -0.002 nan 8.290 nan 0.000 0.406 115 D N 0.428 120.831 120.400 0.005 0.000 2.144 115 D HA -0.043 4.597 4.640 0.000 0.000 0.200 115 D C 2.346 178.648 176.300 0.003 0.000 0.978 115 D CA 0.901 54.903 54.000 0.003 0.000 0.833 115 D CB -0.115 40.687 40.800 0.003 0.000 0.961 115 D HN 0.328 nan 8.370 nan 0.000 0.470 116 L N 0.760 121.985 121.223 0.004 0.000 2.042 116 L HA -0.202 4.138 4.340 0.000 0.000 0.210 116 L C 2.539 179.411 176.870 0.004 0.000 1.076 116 L CA 1.219 56.062 54.840 0.005 0.000 0.749 116 L CB -0.315 41.747 42.059 0.006 0.000 0.893 116 L HN -0.010 nan 8.230 nan 0.000 0.432 117 K N 0.242 120.645 120.400 0.005 0.000 2.057 117 K HA -0.216 4.104 4.320 0.000 0.000 0.206 117 K C 2.324 178.925 176.600 0.002 0.000 1.050 117 K CA 1.237 57.526 56.287 0.004 0.000 0.935 117 K CB -0.028 32.475 32.500 0.006 0.000 0.715 117 K HN 0.063 nan 8.250 nan 0.000 0.439 118 R N -0.281 120.220 120.500 0.002 0.000 2.091 118 R HA -0.112 4.228 4.340 0.000 0.000 0.238 118 R C 2.311 178.610 176.300 -0.001 0.000 1.136 118 R CA 1.759 57.859 56.100 -0.000 0.000 0.959 118 R CB -0.558 29.742 30.300 0.000 0.000 0.856 118 R HN 0.431 nan 8.270 nan 0.000 0.437 119 G N 0.744 109.545 108.800 0.000 0.000 2.421 119 G HA2 -0.242 3.718 3.960 0.000 0.000 0.216 119 G HA3 -0.242 3.718 3.960 0.000 0.000 0.216 119 G C 1.439 176.339 174.900 -0.000 0.000 1.171 119 G CA 0.863 45.963 45.100 0.000 0.000 0.775 119 G HN 0.248 nan 8.290 nan 0.000 0.543 120 I N 1.101 121.671 120.570 0.000 0.000 2.163 120 I HA -0.178 3.992 4.170 0.000 0.000 0.243 120 I C 2.354 178.469 176.117 -0.003 0.000 1.085 120 I CA 1.401 62.701 61.300 0.000 0.000 1.347 120 I CB -0.218 37.783 38.000 0.002 0.000 1.044 120 I HN 0.072 nan 8.210 nan 0.000 0.408 121 D N 0.752 121.149 120.400 -0.005 0.000 2.117 121 D HA -0.217 4.423 4.640 0.000 0.000 0.197 121 D C 2.062 178.356 176.300 -0.010 0.000 0.987 121 D CA 1.245 55.239 54.000 -0.010 0.000 0.829 121 D CB -0.263 40.531 40.800 -0.010 0.000 0.961 121 D HN 0.298 nan 8.370 nan 0.000 0.460 122 K N 0.753 121.149 120.400 -0.006 0.000 2.026 122 K HA -0.112 4.208 4.320 0.000 0.000 0.208 122 K C 2.034 178.631 176.600 -0.005 0.000 1.048 122 K CA 1.364 57.648 56.287 -0.005 0.000 0.929 122 K CB -0.063 32.436 32.500 -0.003 0.000 0.713 122 K HN 0.023 nan 8.250 nan 0.000 0.439 123 A N 0.532 123.350 122.820 -0.003 0.000 1.933 123 A HA -0.107 4.213 4.320 0.000 0.000 0.218 123 A C 2.212 179.793 177.584 -0.004 0.000 1.175 123 A CA 1.657 53.693 52.037 -0.002 0.000 0.628 123 A CB -0.564 18.436 19.000 0.000 0.000 0.814 123 A HN 0.187 nan 8.150 nan 0.000 0.444 124 V N -0.434 119.475 119.914 -0.007 0.000 2.358 124 V HA -0.210 3.910 4.120 0.000 0.000 0.246 124 V C 2.728 178.814 176.094 -0.015 0.000 1.047 124 V CA 2.417 64.710 62.300 -0.012 0.000 1.035 124 V CB -1.299 30.513 31.823 -0.019 0.000 0.658 124 V HN 0.594 nan 8.190 nan 0.000 0.452 125 T N 0.589 115.133 114.554 -0.015 0.000 2.684 125 T HA -0.202 4.148 4.350 0.000 0.000 0.267 125 T C 2.099 176.793 174.700 -0.009 0.000 1.036 125 T CA 1.780 63.871 62.100 -0.015 0.000 1.148 125 T CB -0.499 68.361 68.868 -0.014 0.000 0.863 125 T HN 0.571 nan 8.240 nan 0.000 0.436 126 A N 1.587 124.404 122.820 -0.006 0.000 1.883 126 A HA 0.053 4.373 4.320 0.000 0.000 0.217 126 A C 2.678 180.262 177.584 -0.000 0.000 1.186 126 A CA 2.094 54.129 52.037 -0.002 0.000 0.624 126 A CB -1.257 17.743 19.000 -0.000 0.000 0.822 126 A HN 0.526 nan 8.150 nan 0.000 0.444 127 A N -0.714 122.106 122.820 -0.001 0.000 1.908 127 A HA -0.041 4.279 4.320 0.000 0.000 0.218 127 A C 2.227 179.811 177.584 0.001 0.000 1.181 127 A CA 1.899 53.937 52.037 0.002 0.000 0.627 127 A CB -0.969 18.032 19.000 0.002 0.000 0.818 127 A HN 0.445 nan 8.150 nan 0.000 0.445 128 V N 0.124 120.035 119.914 -0.005 0.000 2.407 128 V HA -0.192 3.928 4.120 0.000 0.000 0.248 128 V C 2.574 178.667 176.094 -0.002 0.000 1.055 128 V CA 2.053 64.349 62.300 -0.006 0.000 1.049 128 V CB -0.644 31.169 31.823 -0.016 0.000 0.662 128 V HN 0.501 nan 8.190 nan 0.000 0.455 129 E N -0.062 120.137 120.200 -0.002 0.000 2.047 129 E HA -0.211 4.139 4.350 0.000 0.000 0.191 129 E C 2.239 178.842 176.600 0.005 0.000 0.987 129 E CA 1.094 57.495 56.400 0.001 0.000 0.799 129 E CB -0.240 29.461 29.700 0.001 0.000 0.752 129 E HN 0.550 nan 8.360 nan 0.000 0.449 130 E N 0.564 120.767 120.200 0.006 0.000 2.160 130 E HA -0.143 4.207 4.350 0.000 0.000 0.195 130 E C 1.872 178.479 176.600 0.012 0.000 0.991 130 E CA 0.328 56.734 56.400 0.010 0.000 0.810 130 E CB -0.192 29.515 29.700 0.011 0.000 0.742 130 E HN 0.047 nan 8.360 nan 0.000 0.466 131 L N 0.485 121.713 121.223 0.010 0.000 2.072 131 L HA -0.064 4.276 4.340 0.000 0.000 0.205 131 L C 1.827 178.704 176.870 0.011 0.000 1.079 131 L CA 1.711 56.558 54.840 0.011 0.000 0.752 131 L CB -0.257 41.807 42.059 0.009 0.000 0.906 131 L HN -0.005 nan 8.230 nan 0.000 0.436 132 K N -1.061 119.344 120.400 0.009 0.000 2.097 132 K HA -0.102 4.218 4.320 0.000 0.000 0.206 132 K C 2.088 178.694 176.600 0.011 0.000 1.049 132 K CA 1.207 57.500 56.287 0.009 0.000 0.933 132 K CB -0.297 32.207 32.500 0.007 0.000 0.717 132 K HN 0.378 nan 8.250 nan 0.000 0.442 133 A N 1.523 124.349 122.820 0.011 0.000 1.858 133 A HA -0.160 4.160 4.320 0.000 0.000 0.216 133 A C 2.085 179.679 177.584 0.015 0.000 1.190 133 A CA 1.216 53.261 52.037 0.012 0.000 0.617 133 A CB -0.710 18.298 19.000 0.012 0.000 0.827 133 A HN 0.229 nan 8.150 nan 0.000 0.443 134 L N -0.018 121.216 121.223 0.017 0.000 2.191 134 L HA -0.077 4.263 4.340 0.000 0.000 0.212 134 L C 1.408 178.290 176.870 0.020 0.000 1.103 134 L CA 0.621 55.474 54.840 0.021 0.000 0.769 134 L CB -0.293 41.780 42.059 0.024 0.000 0.908 134 L HN 0.423 nan 8.230 nan 0.000 0.438 135 S N -0.482 115.228 115.700 0.017 0.000 2.552 135 S HA 0.083 4.553 4.470 0.000 0.000 0.289 135 S C -0.199 174.411 174.600 0.016 0.000 1.304 135 S CA -0.466 57.744 58.200 0.016 0.000 1.063 135 S CB 0.615 63.823 63.200 0.014 0.000 0.848 135 S HN 0.030 nan 8.310 nan 0.000 0.499 136 V N 8.434 128.358 119.914 0.016 0.000 2.398 136 V HA 0.387 4.507 4.120 0.000 0.000 0.286 136 V C -2.039 174.063 176.094 0.013 0.000 1.026 136 V CA -1.848 60.461 62.300 0.015 0.000 0.868 136 V CB 1.303 33.135 31.823 0.015 0.000 0.982 136 V HN 0.763 nan 8.190 nan 0.000 0.443 137 P HA 0.154 nan 4.420 nan 0.000 0.270 137 P C -0.573 176.733 177.300 0.010 0.000 1.223 137 P CA -0.204 62.902 63.100 0.011 0.000 0.785 137 P CB 0.458 32.164 31.700 0.010 0.000 0.923 138 C N 2.036 121.342 119.300 0.010 0.000 3.498 138 C HA 0.390 4.850 4.460 0.000 0.000 0.218 138 C C 1.107 176.102 174.990 0.008 0.000 1.284 138 C CA 0.071 59.094 59.018 0.009 0.000 1.343 138 C CB -1.439 26.307 27.740 0.010 0.000 1.825 138 C HN 0.521 nan 8.230 nan 0.000 0.518 139 S N 1.215 116.920 115.700 0.007 0.000 2.514 139 S HA 0.106 4.576 4.470 0.000 0.000 0.223 139 S C 0.327 174.930 174.600 0.005 0.000 1.046 139 S CA 0.211 58.415 58.200 0.006 0.000 0.914 139 S CB 0.082 63.286 63.200 0.007 0.000 0.807 139 S HN 0.956 nan 8.310 nan 0.000 0.497 140 D N 0.829 121.232 120.400 0.004 0.000 2.332 140 D HA 0.306 4.947 4.640 0.000 0.000 0.252 140 D C 1.048 177.349 176.300 0.002 0.000 1.050 140 D CA -0.256 53.746 54.000 0.003 0.000 0.970 140 D CB 0.763 41.565 40.800 0.003 0.000 1.141 140 D HN 0.026 nan 8.370 nan 0.000 0.485 141 S N 0.336 116.036 115.700 0.001 0.000 2.442 141 S HA -0.272 4.198 4.470 0.000 0.000 0.236 141 S C 1.594 176.194 174.600 -0.000 0.000 1.007 141 S CA 1.121 59.321 58.200 -0.000 0.000 0.965 141 S CB -0.471 62.728 63.200 -0.001 0.000 0.773 141 S HN 0.618 nan 8.310 nan 0.000 0.504 142 K N 1.705 122.105 120.400 0.001 0.000 2.026 142 K HA -0.015 4.305 4.320 0.000 0.000 0.208 142 K C 2.336 178.937 176.600 0.001 0.000 1.048 142 K CA 1.204 57.491 56.287 0.001 0.000 0.929 142 K CB -0.639 31.862 32.500 0.002 0.000 0.713 142 K HN 0.432 nan 8.250 nan 0.000 0.439 143 A N 1.496 124.318 122.820 0.003 0.000 1.873 143 A HA -0.102 4.218 4.320 0.000 0.000 0.215 143 A C 2.107 179.693 177.584 0.003 0.000 1.186 143 A CA 1.423 53.462 52.037 0.004 0.000 0.616 143 A CB -0.632 18.371 19.000 0.005 0.000 0.823 143 A HN 0.355 nan 8.150 nan 0.000 0.442 144 I N -0.030 120.541 120.570 0.002 0.000 2.185 144 I HA -0.373 3.797 4.170 0.000 0.000 0.246 144 I C 2.933 179.049 176.117 -0.001 0.000 1.088 144 I CA 1.319 62.619 61.300 0.001 0.000 1.347 144 I CB -0.363 37.636 38.000 -0.000 0.000 1.041 144 I HN 0.393 nan 8.210 nan 0.000 0.415 145 A N 0.025 122.844 122.820 -0.001 0.000 1.873 145 A HA -0.226 4.094 4.320 0.000 0.000 0.215 145 A C 2.255 179.838 177.584 -0.002 0.000 1.186 145 A CA 1.370 53.405 52.037 -0.003 0.000 0.616 145 A CB -0.584 18.414 19.000 -0.003 0.000 0.823 145 A HN 0.450 nan 8.150 nan 0.000 0.442 146 Q N -0.385 119.415 119.800 -0.000 0.000 2.030 146 Q HA -0.158 4.182 4.340 0.000 0.000 0.204 146 Q C 2.184 178.184 176.000 0.000 0.000 0.986 146 Q CA 1.930 57.733 55.803 -0.000 0.000 0.843 146 Q CB -0.462 28.277 28.738 0.001 0.000 0.904 146 Q HN 0.486 nan 8.270 nan 0.000 0.420 147 V N 0.480 120.395 119.914 0.002 0.000 2.287 147 V HA -0.238 3.882 4.120 0.000 0.000 0.248 147 V C 2.262 178.358 176.094 0.002 0.000 1.053 147 V CA 2.036 64.338 62.300 0.003 0.000 1.027 147 V CB -1.300 30.527 31.823 0.006 0.000 0.646 147 V HN 0.576 nan 8.190 nan 0.000 0.447 148 G N -0.461 108.339 108.800 0.000 0.000 2.442 148 G HA2 -0.253 3.707 3.960 0.000 0.000 0.219 148 G HA3 -0.253 3.707 3.960 0.000 0.000 0.219 148 G C 1.674 176.572 174.900 -0.003 0.000 1.141 148 G CA 1.604 46.703 45.100 -0.002 0.000 0.763 148 G HN 0.492 nan 8.290 nan 0.000 0.554 149 T N 1.399 115.952 114.554 -0.003 0.000 2.746 149 T HA -0.042 4.308 4.350 0.000 0.000 0.267 149 T C 2.381 177.079 174.700 -0.003 0.000 1.039 149 T CA 1.010 63.108 62.100 -0.004 0.000 1.142 149 T CB -0.151 68.715 68.868 -0.004 0.000 0.866 149 T HN 0.278 nan 8.240 nan 0.000 0.444 150 I N 1.373 121.941 120.570 -0.003 0.000 2.286 150 I HA -0.151 4.019 4.170 0.000 0.000 0.248 150 I C 2.562 178.678 176.117 -0.001 0.000 1.115 150 I CA 0.940 62.238 61.300 -0.003 0.000 1.392 150 I CB -0.386 37.612 38.000 -0.003 0.000 1.065 150 I HN 0.197 nan 8.210 nan 0.000 0.418 151 S N 0.956 116.657 115.700 0.002 0.000 2.406 151 S HA -0.010 4.460 4.470 0.000 0.000 0.228 151 S C 1.958 176.561 174.600 0.005 0.000 1.020 151 S CA 1.035 59.239 58.200 0.006 0.000 0.965 151 S CB -0.206 63.001 63.200 0.012 0.000 0.798 151 S HN 0.512 nan 8.310 nan 0.000 0.488 152 A N 1.283 124.103 122.820 0.001 0.000 2.276 152 A HA 0.289 4.609 4.320 0.000 0.000 0.212 152 A C 0.752 178.335 177.584 -0.002 0.000 1.230 152 A CA 0.155 52.192 52.037 -0.001 0.000 0.844 152 A CB -0.772 18.226 19.000 -0.004 0.000 0.860 152 A HN 0.483 nan 8.150 nan 0.000 0.486 153 N N -1.042 117.656 118.700 -0.003 0.000 2.780 153 N HA -0.209 4.531 4.740 0.000 0.000 0.247 153 N C 0.124 175.630 175.510 -0.007 0.000 1.076 153 N CA 1.056 54.102 53.050 -0.005 0.000 0.688 153 N CB -1.920 36.565 38.487 -0.005 0.000 0.957 153 N HN 0.481 nan 8.380 nan 0.000 0.551 154 S N -1.527 114.169 115.700 -0.007 0.000 3.593 154 S HA -0.211 4.259 4.470 0.000 0.000 0.301 154 S C -0.467 174.129 174.600 -0.006 0.000 1.209 154 S CA 0.724 58.920 58.200 -0.007 0.000 0.878 154 S CB -1.080 62.115 63.200 -0.009 0.000 1.000 154 S HN 0.725 nan 8.310 nan 0.000 0.578 155 D N 1.329 121.726 120.400 -0.005 0.000 2.456 155 D HA 0.282 4.922 4.640 0.000 0.000 0.219 155 D C 1.106 177.403 176.300 -0.006 0.000 1.126 155 D CA -0.348 53.648 54.000 -0.005 0.000 0.890 155 D CB 0.460 41.256 40.800 -0.005 0.000 1.025 155 D HN 0.449 nan 8.370 nan 0.000 0.511 156 E N 1.034 121.230 120.200 -0.005 0.000 2.219 156 E HA -0.173 4.177 4.350 0.000 0.000 0.198 156 E C 1.369 177.966 176.600 -0.006 0.000 0.998 156 E CA 1.180 57.577 56.400 -0.005 0.000 0.818 156 E CB 0.300 29.997 29.700 -0.005 0.000 0.741 156 E HN 0.477 nan 8.360 nan 0.000 0.477 157 T N 0.729 115.279 114.554 -0.006 0.000 2.622 157 T HA -0.168 4.182 4.350 0.000 0.000 0.266 157 T C 2.113 176.808 174.700 -0.008 0.000 1.047 157 T CA 1.512 63.608 62.100 -0.007 0.000 1.159 157 T CB -0.328 68.536 68.868 -0.007 0.000 0.863 157 T HN 0.007 nan 8.240 nan 0.000 0.422 158 V N 1.504 121.413 119.914 -0.009 0.000 2.287 158 V HA -0.151 3.969 4.120 0.000 0.000 0.248 158 V C 2.898 178.986 176.094 -0.011 0.000 1.053 158 V CA 2.042 64.335 62.300 -0.011 0.000 1.027 158 V CB -1.547 30.269 31.823 -0.010 0.000 0.646 158 V HN 0.624 nan 8.190 nan 0.000 0.447 159 G N -0.382 108.413 108.800 -0.009 0.000 2.476 159 G HA2 -0.353 3.607 3.960 0.000 0.000 0.218 159 G HA3 -0.353 3.607 3.960 0.000 0.000 0.218 159 G C 1.643 176.538 174.900 -0.008 0.000 1.164 159 G CA 1.277 46.372 45.100 -0.008 0.000 0.768 159 G HN 0.514 nan 8.290 nan 0.000 0.560 160 K N -0.019 120.376 120.400 -0.008 0.000 2.002 160 K HA 0.003 4.323 4.320 0.000 0.000 0.209 160 K C 2.582 179.177 176.600 -0.009 0.000 1.048 160 K CA 1.043 57.325 56.287 -0.007 0.000 0.930 160 K CB -0.346 32.150 32.500 -0.007 0.000 0.714 160 K HN 0.332 nan 8.250 nan 0.000 0.438 161 L N 1.041 122.257 121.223 -0.011 0.000 1.978 161 L HA -0.268 4.072 4.340 0.000 0.000 0.218 161 L C 2.527 179.388 176.870 -0.016 0.000 1.075 161 L CA 1.607 56.439 54.840 -0.014 0.000 0.767 161 L CB -0.430 41.620 42.059 -0.016 0.000 0.890 161 L HN 0.305 nan 8.230 nan 0.000 0.434 162 I N -0.553 120.006 120.570 -0.018 0.000 2.208 162 I HA -0.327 3.843 4.170 0.000 0.000 0.245 162 I C 2.738 178.846 176.117 -0.016 0.000 1.097 162 I CA 1.240 62.527 61.300 -0.021 0.000 1.363 162 I CB -0.499 37.488 38.000 -0.023 0.000 1.051 162 I HN 0.269 nan 8.210 nan 0.000 0.413 163 A N 0.535 123.348 122.820 -0.011 0.000 1.898 163 A HA -0.204 4.116 4.320 0.000 0.000 0.216 163 A C 2.198 179.777 177.584 -0.008 0.000 1.181 163 A CA 1.573 53.605 52.037 -0.008 0.000 0.620 163 A CB -0.513 18.483 19.000 -0.006 0.000 0.819 163 A HN 0.462 nan 8.150 nan 0.000 0.442 164 E N -0.078 120.116 120.200 -0.009 0.000 2.072 164 E HA -0.094 4.256 4.350 0.000 0.000 0.191 164 E C 2.342 178.936 176.600 -0.009 0.000 0.985 164 E CA 0.898 57.293 56.400 -0.008 0.000 0.801 164 E CB -0.324 29.371 29.700 -0.008 0.000 0.750 164 E HN 0.605 nan 8.360 nan 0.000 0.452 165 A N 1.512 124.325 122.820 -0.012 0.000 1.883 165 A HA -0.194 4.126 4.320 0.000 0.000 0.217 165 A C 2.207 179.783 177.584 -0.012 0.000 1.186 165 A CA 1.516 53.545 52.037 -0.014 0.000 0.624 165 A CB -0.493 18.495 19.000 -0.020 0.000 0.822 165 A HN 0.137 nan 8.150 nan 0.000 0.444 166 M N -1.075 118.518 119.600 -0.012 0.000 2.296 166 M HA -0.127 4.353 4.480 0.000 0.000 0.265 166 M C 1.769 178.065 176.300 -0.006 0.000 1.064 166 M CA 1.737 57.032 55.300 -0.009 0.000 1.109 166 M CB -0.491 32.104 32.600 -0.008 0.000 1.396 166 M HN 0.485 nan 8.290 nan 0.000 0.430 167 D N 0.644 121.040 120.400 -0.006 0.000 2.178 167 D HA -0.122 4.518 4.640 0.000 0.000 0.202 167 D C 1.983 178.281 176.300 -0.004 0.000 0.974 167 D CA 1.109 55.107 54.000 -0.004 0.000 0.841 167 D CB 0.273 41.070 40.800 -0.004 0.000 0.953 167 D HN 0.028 nan 8.370 nan 0.000 0.478 168 K N -0.172 120.225 120.400 -0.005 0.000 2.031 168 K HA -0.014 4.306 4.320 0.000 0.000 0.205 168 K C 1.850 178.448 176.600 -0.004 0.000 1.049 168 K CA 1.213 57.497 56.287 -0.005 0.000 0.939 168 K CB -0.212 32.284 32.500 -0.006 0.000 0.717 168 K HN 0.307 nan 8.250 nan 0.000 0.438 169 V N -3.135 116.777 119.914 -0.005 0.000 3.380 169 V HA 0.436 4.556 4.120 0.000 0.000 0.307 169 V C 0.445 176.538 176.094 -0.002 0.000 1.434 169 V CA 0.074 62.372 62.300 -0.003 0.000 1.075 169 V CB -0.206 31.614 31.823 -0.004 0.000 0.954 169 V HN 0.342 nan 8.190 nan 0.000 0.444 170 G N 2.118 110.916 108.800 -0.002 0.000 2.712 170 G HA2 -0.166 3.794 3.960 0.000 0.000 0.686 170 G HA3 -0.166 3.794 3.960 0.000 0.000 0.686 170 G C 0.063 174.963 174.900 -0.001 0.000 1.321 170 G CA -0.136 44.964 45.100 -0.000 0.000 0.813 170 G HN 0.651 nan 8.290 nan 0.000 0.599 171 K N -0.154 120.247 120.400 0.001 0.000 2.525 171 K HA 0.109 4.429 4.320 0.000 0.000 0.192 171 K C 0.562 177.164 176.600 0.004 0.000 1.029 171 K CA 1.131 57.419 56.287 0.002 0.000 1.029 171 K CB 0.510 33.011 32.500 0.003 0.000 0.814 171 K HN 0.437 nan 8.250 nan 0.000 0.503 172 E N 1.209 121.412 120.200 0.005 0.000 2.660 172 E HA 0.119 4.469 4.350 0.000 0.000 0.216 172 E C 0.367 176.972 176.600 0.007 0.000 0.986 172 E CA -0.089 56.316 56.400 0.008 0.000 1.037 172 E CB 1.209 30.916 29.700 0.010 0.000 1.041 172 E HN 0.367 nan 8.360 nan 0.000 0.480 173 G N 0.613 109.415 108.800 0.003 0.000 2.477 173 G HA2 0.362 4.322 3.960 0.000 0.000 0.304 173 G HA3 0.362 4.322 3.960 0.000 0.000 0.304 173 G C 0.092 174.992 174.900 -0.001 0.000 1.175 173 G CA -0.446 44.655 45.100 0.002 0.000 0.907 173 G HN -0.056 nan 8.290 nan 0.000 0.509 174 V N 1.117 121.031 119.914 0.001 0.000 2.521 174 V HA 0.262 4.382 4.120 0.000 0.000 0.286 174 V C 0.266 176.352 176.094 -0.013 0.000 1.034 174 V CA 0.398 62.696 62.300 -0.004 0.000 1.045 174 V CB 0.323 32.148 31.823 0.003 0.000 0.974 174 V HN 0.422 nan 8.190 nan 0.000 0.480 175 I N 4.180 124.735 120.570 -0.024 0.000 2.569 175 I HA 0.490 4.660 4.170 0.000 0.000 0.290 175 I C -0.175 175.915 176.117 -0.045 0.000 1.088 175 I CA -0.211 61.069 61.300 -0.034 0.000 1.047 175 I CB 2.435 40.410 38.000 -0.042 0.000 1.237 175 I HN 0.535 nan 8.210 nan 0.000 0.421 176 T N 4.711 119.242 114.554 -0.038 0.000 2.916 176 T HA 0.632 4.982 4.350 0.000 0.000 0.292 176 T C -0.601 174.076 174.700 -0.038 0.000 1.055 176 T CA -0.657 61.419 62.100 -0.039 0.000 1.009 176 T CB 2.572 71.424 68.868 -0.026 0.000 1.118 176 T HN 0.450 nan 8.240 nan 0.000 0.497 177 V N -0.378 119.513 119.914 -0.038 0.000 2.680 177 V HA 0.880 5.000 4.120 0.000 0.000 0.309 177 V C -0.997 175.085 176.094 -0.020 0.000 1.052 177 V CA -0.758 61.524 62.300 -0.031 0.000 0.908 177 V CB 1.776 33.577 31.823 -0.038 0.000 1.001 177 V HN 0.959 nan 8.190 nan 0.000 0.431 178 E N 1.736 121.926 120.200 -0.016 0.000 2.429 178 E HA 0.412 4.762 4.350 0.000 0.000 0.276 178 E C -1.646 174.948 176.600 -0.010 0.000 0.953 178 E CA -1.038 55.354 56.400 -0.012 0.000 0.787 178 E CB 1.780 31.473 29.700 -0.012 0.000 1.307 178 E HN 0.788 nan 8.360 nan 0.000 0.458 179 D N 1.003 121.399 120.400 -0.008 0.000 2.443 179 D HA 0.155 4.795 4.640 0.000 0.000 0.239 179 D C 0.246 176.541 176.300 -0.008 0.000 1.136 179 D CA 0.386 54.382 54.000 -0.007 0.000 0.879 179 D CB 0.919 41.716 40.800 -0.005 0.000 1.195 179 D HN 0.500 nan 8.370 nan 0.000 0.443 180 G N -0.423 108.373 108.800 -0.007 0.000 2.580 180 G HA2 0.268 4.228 3.960 0.000 0.000 0.278 180 G HA3 0.268 4.228 3.960 0.000 0.000 0.278 180 G C 1.016 175.911 174.900 -0.007 0.000 1.212 180 G CA -0.223 44.873 45.100 -0.008 0.000 0.939 180 G HN 0.446 nan 8.290 nan 0.000 0.513 181 T N -3.323 111.226 114.554 -0.007 0.000 3.113 181 T HA 0.425 4.775 4.350 0.000 0.000 0.256 181 T C 1.028 175.724 174.700 -0.006 0.000 1.131 181 T CA 0.715 62.810 62.100 -0.007 0.000 1.074 181 T CB -0.105 68.759 68.868 -0.007 0.000 0.944 181 T HN 2.099 nan 8.240 nan 0.000 0.516 182 G N 1.601 110.397 108.800 -0.006 0.000 3.220 182 G HA2 0.312 4.272 3.960 0.000 0.000 0.636 182 G HA3 0.312 4.272 3.960 0.000 0.000 0.636 182 G C -0.744 174.154 174.900 -0.005 0.000 1.226 182 G CA -0.698 44.399 45.100 -0.005 0.000 1.177 182 G HN 0.759 nan 8.290 nan 0.000 0.527 183 L N 1.048 122.268 121.223 -0.005 0.000 1.435 183 L HA -0.171 4.169 4.340 0.000 0.000 0.394 183 L C 0.281 177.148 176.870 -0.005 0.000 1.004 183 L CA 2.321 57.158 54.840 -0.005 0.000 1.225 183 L CB -0.565 41.492 42.059 -0.004 0.000 0.571 183 L HN 1.946 nan 8.230 nan 0.000 0.324 184 Q N 2.321 122.118 119.800 -0.005 0.000 3.001 184 Q HA -0.075 4.265 4.340 0.000 0.000 0.109 184 Q C -0.557 175.439 176.000 -0.007 0.000 1.575 184 Q CA 0.851 56.651 55.803 -0.006 0.000 0.345 184 Q CB -0.128 28.607 28.738 -0.005 0.000 0.591 184 Q HN 0.688 nan 8.270 nan 0.000 0.321 185 D N 2.524 122.920 120.400 -0.007 0.000 2.371 185 D HA 0.290 4.930 4.640 0.000 0.000 0.242 185 D C -0.008 176.287 176.300 -0.008 0.000 1.218 185 D CA 0.216 54.211 54.000 -0.008 0.000 0.945 185 D CB 0.695 41.489 40.800 -0.009 0.000 1.137 185 D HN 0.362 nan 8.370 nan 0.000 0.464 186 E N -0.247 119.947 120.200 -0.009 0.000 2.304 186 E HA 0.397 4.747 4.350 0.000 0.000 0.277 186 E C -1.296 175.297 176.600 -0.010 0.000 0.898 186 E CA -0.760 55.635 56.400 -0.009 0.000 0.764 186 E CB 2.303 31.998 29.700 -0.009 0.000 1.216 186 E HN 0.073 nan 8.360 nan 0.000 0.419 187 L N 3.258 124.475 121.223 -0.010 0.000 2.343 187 L HA 0.529 4.869 4.340 0.000 0.000 0.278 187 L C -1.654 175.210 176.870 -0.009 0.000 0.996 187 L CA -0.170 54.664 54.840 -0.011 0.000 0.831 187 L CB 1.095 43.148 42.059 -0.011 0.000 1.232 187 L HN 0.417 nan 8.230 nan 0.000 0.413 188 D N 4.365 124.759 120.400 -0.010 0.000 2.738 188 D HA 0.474 5.114 4.640 0.000 0.000 0.237 188 D C -1.044 175.251 176.300 -0.008 0.000 1.123 188 D CA -0.259 53.736 54.000 -0.008 0.000 0.856 188 D CB 2.799 43.594 40.800 -0.008 0.000 1.552 188 D HN 0.258 nan 8.370 nan 0.000 0.480 189 V N 1.397 121.307 119.914 -0.006 0.000 2.398 189 V HA 0.494 4.614 4.120 0.000 0.000 0.286 189 V C 0.508 176.599 176.094 -0.004 0.000 1.026 189 V CA -0.654 61.643 62.300 -0.005 0.000 0.868 189 V CB 1.375 33.196 31.823 -0.004 0.000 0.982 189 V HN 0.498 nan 8.190 nan 0.000 0.443 190 V N 1.420 121.332 119.914 -0.003 0.000 3.155 190 V HA 0.714 4.834 4.120 0.000 0.000 0.313 190 V C -0.349 175.746 176.094 0.002 0.000 1.162 190 V CA -1.055 61.244 62.300 -0.002 0.000 1.048 190 V CB 2.148 33.969 31.823 -0.003 0.000 1.092 190 V HN 0.639 nan 8.190 nan 0.000 0.447 191 E N 1.317 121.518 120.200 0.003 0.000 2.299 191 E HA 0.616 4.966 4.350 0.000 0.000 0.272 191 E C 0.200 176.807 176.600 0.011 0.000 1.043 191 E CA 0.864 57.267 56.400 0.006 0.000 0.895 191 E CB 0.789 30.492 29.700 0.006 0.000 1.011 191 E HN 1.189 nan 8.360 nan 0.000 0.432 192 G N 1.404 110.214 108.800 0.017 0.000 2.550 192 G HA2 0.612 4.572 3.960 0.000 0.000 0.293 192 G HA3 0.612 4.572 3.960 0.000 0.000 0.293 192 G C -1.210 173.714 174.900 0.040 0.000 1.402 192 G CA -0.609 44.507 45.100 0.027 0.000 0.784 192 G HN 0.404 nan 8.290 nan 0.000 0.482 193 M N -0.494 119.143 119.600 0.062 0.000 2.833 193 M HA 0.640 5.120 4.480 0.000 0.000 0.270 193 M C -2.296 174.076 176.300 0.119 0.000 1.209 193 M CA -0.702 54.653 55.300 0.092 0.000 0.826 193 M CB 2.503 35.170 32.600 0.112 0.000 1.657 193 M HN 0.743 nan 8.290 nan 0.000 0.492 194 Q N 2.618 122.505 119.800 0.144 0.000 2.268 194 Q HA 0.592 4.932 4.340 0.000 0.000 0.266 194 Q C -2.263 173.848 176.000 0.186 0.000 1.006 194 Q CA -0.660 55.197 55.803 0.091 0.000 0.824 194 Q CB 1.890 30.635 28.738 0.011 0.000 1.306 194 Q HN 0.571 nan 8.270 nan 0.000 0.424 195 F N -0.100 119.852 119.950 0.004 0.000 2.611 195 F HA 0.579 5.106 4.527 0.000 0.000 0.324 195 F C -0.439 175.364 175.800 0.005 0.000 1.061 195 F CA -1.305 56.699 58.000 0.006 0.000 0.954 195 F CB 1.040 40.045 39.000 0.009 0.000 1.301 195 F HN 0.296 nan 8.300 nan 0.000 0.482 196 D N 2.824 123.319 120.400 0.158 0.000 2.608 196 D HA 0.204 4.845 4.640 0.000 0.000 0.224 196 D C -0.335 176.003 176.300 0.064 0.000 1.123 196 D CA 0.263 54.293 54.000 0.051 0.000 1.030 196 D CB -0.084 40.757 40.800 0.067 0.000 1.093 196 D HN 0.295 nan 8.370 nan 0.000 0.497 197 R N 0.433 120.908 120.500 -0.041 0.000 2.510 197 R HA 0.450 4.790 4.340 0.000 0.000 0.287 197 R C 0.229 176.445 176.300 -0.140 0.000 1.084 197 R CA -0.689 55.412 56.100 0.002 0.000 0.934 197 R CB 1.957 32.388 30.300 0.219 0.000 1.201 197 R HN 0.231 nan 8.270 nan 0.000 0.431 198 G N 1.292 110.001 108.800 -0.151 0.000 2.535 198 G HA2 0.406 4.366 3.960 0.000 0.000 0.303 198 G HA3 0.406 4.366 3.960 0.000 0.000 0.303 198 G C -0.498 174.298 174.900 -0.174 0.000 1.237 198 G CA -0.496 44.425 45.100 -0.299 0.000 0.986 198 G HN 0.439 nan 8.290 nan 0.000 0.494 199 Y N -1.349 118.988 120.300 0.061 0.000 2.683 199 Y HA 0.231 4.781 4.550 0.000 0.000 0.340 199 Y C 1.167 177.180 175.900 0.189 0.000 1.245 199 Y CA -1.078 57.115 58.100 0.154 0.000 1.485 199 Y CB 0.292 38.891 38.460 0.232 0.000 1.328 199 Y HN 0.186 nan 8.280 nan 0.000 0.603 200 L N 2.283 123.816 121.223 0.518 0.000 2.650 200 L HA 0.091 4.431 4.340 0.000 0.000 0.235 200 L C 0.292 177.365 176.870 0.339 0.000 1.149 200 L CA 0.956 56.027 54.840 0.386 0.000 0.887 200 L CB -0.700 41.576 42.059 0.361 0.000 1.021 200 L HN 0.911 nan 8.230 nan 0.000 0.441 201 S N -3.238 112.696 115.700 0.390 0.000 2.751 201 S HA 0.237 4.707 4.470 0.000 0.000 0.289 201 S C -2.923 171.510 174.600 -0.278 0.000 0.965 201 S CA -1.152 57.082 58.200 0.056 0.000 0.855 201 S CB 0.814 63.953 63.200 -0.101 0.000 1.068 201 S HN -0.249 nan 8.310 nan 0.000 0.462 202 P HA 0.451 nan 4.420 nan 0.000 0.335 202 P C 0.294 177.250 177.300 -0.574 0.000 1.379 202 P CA 0.590 63.207 63.100 -0.806 0.000 0.794 202 P CB -0.103 31.156 31.700 -0.736 0.000 1.849 203 Y N -4.843 115.261 120.300 -0.327 0.000 2.884 203 Y HA -0.295 4.255 4.550 0.000 0.000 0.483 203 Y C 1.878 177.686 175.900 -0.153 0.000 1.209 203 Y CA 1.402 59.347 58.100 -0.258 0.000 2.681 203 Y CB -2.996 35.251 38.460 -0.356 0.000 0.894 203 Y HN 0.096 nan 8.280 nan 0.000 0.529 204 F N 0.383 120.322 119.950 -0.018 0.000 2.216 204 F HA -0.009 4.518 4.527 0.000 0.000 0.300 204 F C 1.538 177.297 175.800 -0.067 0.000 1.085 204 F CA 0.530 58.514 58.000 -0.028 0.000 1.326 204 F CB -0.613 38.373 39.000 -0.024 0.000 1.027 204 F HN -0.024 nan 8.300 nan 0.000 0.497 205 I N 2.532 123.105 120.570 0.005 0.000 2.845 205 I HA -0.211 3.959 4.170 0.000 0.000 0.290 205 I C 0.539 176.667 176.117 0.017 0.000 1.202 205 I CA 0.560 61.838 61.300 -0.038 0.000 1.406 205 I CB -0.030 37.876 38.000 -0.157 0.000 1.383 205 I HN 0.223 nan 8.210 nan 0.000 0.549 206 N N 5.437 124.160 118.700 0.038 0.000 2.200 206 N HA 0.106 4.846 4.740 0.000 0.000 0.224 206 N C -0.227 175.298 175.510 0.026 0.000 1.179 206 N CA -0.282 52.790 53.050 0.037 0.000 0.877 206 N CB 0.545 39.060 38.487 0.046 0.000 1.072 206 N HN 0.398 nan 8.380 nan 0.000 0.519 207 K N 1.055 121.469 120.400 0.022 0.000 3.098 207 K HA 0.206 4.526 4.320 0.000 0.000 0.170 207 K C -2.199 174.411 176.600 0.016 0.000 1.106 207 K CA -1.273 55.026 56.287 0.021 0.000 0.864 207 K CB 2.202 34.718 32.500 0.027 0.000 1.047 207 K HN -0.022 nan 8.250 nan 0.000 0.609 208 P HA -0.218 nan 4.420 nan 0.000 0.217 208 P C 0.508 177.809 177.300 0.002 0.000 1.148 208 P CA 1.478 64.575 63.100 -0.005 0.000 0.828 208 P CB 0.485 32.179 31.700 -0.010 0.000 0.783 209 E N -0.140 120.065 120.200 0.008 0.000 2.097 209 E HA -0.126 4.224 4.350 0.000 0.000 0.196 209 E C 1.716 178.324 176.600 0.014 0.000 1.000 209 E CA 1.973 58.379 56.400 0.009 0.000 0.804 209 E CB -1.295 28.412 29.700 0.012 0.000 0.740 209 E HN 0.322 nan 8.360 nan 0.000 0.454 210 T N -1.318 113.250 114.554 0.023 0.000 3.054 210 T HA 0.295 4.645 4.350 0.000 0.000 0.255 210 T C 1.037 175.763 174.700 0.043 0.000 1.035 210 T CA 0.214 62.334 62.100 0.033 0.000 0.941 210 T CB 0.659 69.552 68.868 0.043 0.000 1.026 210 T HN 0.351 nan 8.240 nan 0.000 0.533 211 G N 1.921 110.743 108.800 0.038 0.000 2.338 211 G HA2 0.018 3.978 3.960 0.000 0.000 0.296 211 G HA3 0.018 3.978 3.960 0.000 0.000 0.296 211 G C 0.055 175.033 174.900 0.129 0.000 1.040 211 G CA 0.106 45.240 45.100 0.056 0.000 1.004 211 G HN 0.920 nan 8.290 nan 0.000 0.509 212 A N -1.142 121.738 122.820 0.101 0.000 2.423 212 A HA 0.902 5.222 4.320 0.000 0.000 0.304 212 A C -0.223 177.425 177.584 0.108 0.000 1.104 212 A CA -0.419 51.699 52.037 0.135 0.000 0.757 212 A CB 2.169 21.221 19.000 0.088 0.000 1.313 212 A HN 1.192 nan 8.150 nan 0.000 0.423 213 V N 1.217 121.214 119.914 0.138 0.000 2.394 213 V HA 0.496 4.616 4.120 0.000 0.000 0.282 213 V C -0.012 176.116 176.094 0.058 0.000 1.031 213 V CA -0.300 62.060 62.300 0.100 0.000 0.881 213 V CB 1.223 33.126 31.823 0.133 0.000 0.982 213 V HN 0.917 nan 8.190 nan 0.000 0.451 214 E N 4.785 125.007 120.200 0.037 0.000 2.220 214 E HA 0.570 4.920 4.350 0.000 0.000 0.256 214 E C -1.599 175.006 176.600 0.009 0.000 0.881 214 E CA -0.536 55.876 56.400 0.019 0.000 0.766 214 E CB 1.388 31.098 29.700 0.018 0.000 1.187 214 E HN 0.628 nan 8.360 nan 0.000 0.419 215 L N 3.409 124.631 121.223 -0.002 0.000 2.329 215 L HA 0.504 4.844 4.340 0.000 0.000 0.279 215 L C -0.191 176.668 176.870 -0.019 0.000 1.014 215 L CA -0.795 54.038 54.840 -0.010 0.000 0.814 215 L CB 1.790 43.839 42.059 -0.016 0.000 1.257 215 L HN 0.480 nan 8.230 nan 0.000 0.424 216 E N 1.336 121.521 120.200 -0.025 0.000 2.158 216 E HA 0.308 4.658 4.350 0.000 0.000 0.271 216 E C -0.448 176.114 176.600 -0.064 0.000 0.911 216 E CA -0.535 55.843 56.400 -0.037 0.000 0.767 216 E CB 1.593 31.276 29.700 -0.028 0.000 1.120 216 E HN 0.618 nan 8.360 nan 0.000 0.405 217 S N 1.883 117.535 115.700 -0.079 0.000 3.628 217 S HA -0.124 4.346 4.470 0.000 0.000 0.373 217 S C -2.171 172.312 174.600 -0.195 0.000 0.968 217 S CA 0.327 58.447 58.200 -0.132 0.000 1.215 217 S CB -1.428 61.691 63.200 -0.135 0.000 0.912 217 S HN 0.505 nan 8.310 nan 0.000 0.495 218 P HA 0.553 nan 4.420 nan 0.000 0.282 218 P C -0.001 177.215 177.300 -0.140 0.000 1.259 218 P CA -0.650 62.378 63.100 -0.120 0.000 0.826 218 P CB 0.600 32.280 31.700 -0.033 0.000 1.064 219 F N 0.752 120.701 119.950 -0.002 0.000 2.368 219 F HA 0.434 4.961 4.527 0.000 0.000 0.315 219 F C 0.950 176.750 175.800 0.000 0.000 1.145 219 F CA -0.149 57.851 58.000 -0.000 0.000 1.095 219 F CB 0.509 39.508 39.000 -0.002 0.000 1.286 219 F HN 0.073 nan 8.300 nan 0.000 0.530 220 I N 2.973 123.686 120.570 0.239 0.000 2.500 220 I HA 0.212 4.382 4.170 0.000 0.000 0.286 220 I C -1.538 174.631 176.117 0.088 0.000 1.063 220 I CA -0.824 60.551 61.300 0.126 0.000 1.062 220 I CB 1.922 39.979 38.000 0.095 0.000 1.223 220 I HN 0.211 nan 8.210 nan 0.000 0.435 221 L N 8.201 129.459 121.223 0.058 0.000 2.257 221 L HA 0.535 4.875 4.340 0.000 0.000 0.290 221 L C -1.122 175.760 176.870 0.021 0.000 1.044 221 L CA 0.025 54.880 54.840 0.026 0.000 0.810 221 L CB 0.838 42.904 42.059 0.012 0.000 1.193 221 L HN 0.455 nan 8.230 nan 0.000 0.425 222 L N 6.418 127.646 121.223 0.009 0.000 2.277 222 L HA 0.743 5.083 4.340 0.000 0.000 0.284 222 L C -0.041 176.826 176.870 -0.005 0.000 1.028 222 L CA -0.456 54.383 54.840 -0.002 0.000 0.835 222 L CB 1.210 43.261 42.059 -0.013 0.000 1.215 222 L HN 0.811 nan 8.230 nan 0.000 0.425 223 A N 1.768 124.588 122.820 -0.000 0.000 2.310 223 A HA 0.342 4.662 4.320 0.000 0.000 0.304 223 A C -0.412 177.174 177.584 0.002 0.000 1.231 223 A CA -0.537 51.501 52.037 0.001 0.000 0.799 223 A CB 0.848 19.853 19.000 0.008 0.000 1.162 223 A HN 0.693 nan 8.150 nan 0.000 0.486 224 D N 2.642 123.041 120.400 -0.003 0.000 2.801 224 D HA 0.294 4.934 4.640 0.000 0.000 0.232 224 D C 0.225 176.530 176.300 0.007 0.000 1.128 224 D CA 0.457 54.457 54.000 -0.001 0.000 1.003 224 D CB -0.567 40.228 40.800 -0.008 0.000 1.110 224 D HN 0.627 nan 8.370 nan 0.000 0.477 225 K N -1.048 119.360 120.400 0.014 0.000 2.672 225 K HA 0.357 4.677 4.320 0.000 0.000 0.295 225 K C -1.208 175.408 176.600 0.027 0.000 1.042 225 K CA -1.200 55.099 56.287 0.019 0.000 0.869 225 K CB 0.824 33.333 32.500 0.015 0.000 1.541 225 K HN -0.201 nan 8.250 nan 0.000 0.396 226 K N 1.161 121.578 120.400 0.029 0.000 2.183 226 K HA 0.433 4.753 4.320 0.000 0.000 0.274 226 K C -0.605 176.014 176.600 0.032 0.000 1.009 226 K CA -0.585 55.723 56.287 0.034 0.000 0.888 226 K CB 1.103 33.623 32.500 0.035 0.000 1.078 226 K HN 0.379 nan 8.250 nan 0.000 0.459 227 I N 2.418 123.011 120.570 0.038 0.000 2.307 227 I HA 0.058 4.228 4.170 0.000 0.000 0.289 227 I C 0.560 176.699 176.117 0.037 0.000 1.021 227 I CA -0.005 61.316 61.300 0.036 0.000 1.224 227 I CB 1.569 39.593 38.000 0.040 0.000 1.376 227 I HN 0.695 nan 8.210 nan 0.000 0.470 228 S N 3.669 119.386 115.700 0.029 0.000 2.620 228 S HA 0.069 4.539 4.470 0.000 0.000 0.234 228 S C 0.860 175.474 174.600 0.023 0.000 1.064 228 S CA 0.126 58.342 58.200 0.026 0.000 0.920 228 S CB 0.120 63.333 63.200 0.021 0.000 0.826 228 S HN 0.635 nan 8.310 nan 0.000 0.557 229 N N 2.012 120.724 118.700 0.019 0.000 2.437 229 N HA 0.220 4.960 4.740 0.000 0.000 0.243 229 N C 0.189 175.709 175.510 0.017 0.000 1.041 229 N CA -0.027 53.032 53.050 0.016 0.000 0.940 229 N CB 0.629 39.123 38.487 0.011 0.000 1.133 229 N HN 0.273 nan 8.380 nan 0.000 0.506 230 I N 3.291 123.872 120.570 0.019 0.000 3.164 230 I HA -0.149 4.021 4.170 0.000 0.000 0.278 230 I C 1.917 178.042 176.117 0.014 0.000 1.320 230 I CA 0.469 61.782 61.300 0.021 0.000 1.422 230 I CB 0.111 38.126 38.000 0.025 0.000 1.066 230 I HN 0.442 nan 8.210 nan 0.000 0.503 231 R N 0.912 121.418 120.500 0.010 0.000 2.075 231 R HA -0.168 4.172 4.340 0.000 0.000 0.232 231 R C 1.994 178.297 176.300 0.004 0.000 1.126 231 R CA 1.562 57.666 56.100 0.006 0.000 0.963 231 R CB -0.194 30.109 30.300 0.005 0.000 0.858 231 R HN 0.416 nan 8.270 nan 0.000 0.435 232 E N -0.526 119.677 120.200 0.005 0.000 2.147 232 E HA -0.273 4.077 4.350 0.000 0.000 0.199 232 E C 1.800 178.399 176.600 -0.000 0.000 1.005 232 E CA 1.468 57.870 56.400 0.003 0.000 0.810 232 E CB -0.073 29.630 29.700 0.005 0.000 0.736 232 E HN 0.295 nan 8.360 nan 0.000 0.460 233 M N 0.074 119.676 119.600 0.004 0.000 2.156 233 M HA -0.096 4.384 4.480 0.000 0.000 0.264 233 M C 2.421 178.718 176.300 -0.005 0.000 1.067 233 M CA 1.047 56.348 55.300 0.001 0.000 1.131 233 M CB -0.942 31.665 32.600 0.011 0.000 1.368 233 M HN 0.164 nan 8.290 nan 0.000 0.416 234 L N 0.443 121.665 121.223 -0.001 0.000 2.077 234 L HA -0.301 4.039 4.340 0.000 0.000 0.231 234 L C -0.212 176.651 176.870 -0.011 0.000 1.100 234 L CA 2.263 57.101 54.840 -0.003 0.000 0.819 234 L CB -2.846 39.212 42.059 -0.001 0.000 0.913 234 L HN 0.205 nan 8.230 nan 0.000 0.446 235 P HA -0.145 nan 4.420 nan 0.000 0.216 235 P C 1.777 179.055 177.300 -0.036 0.000 1.153 235 P CA 1.789 64.876 63.100 -0.023 0.000 0.858 235 P CB -0.045 31.641 31.700 -0.022 0.000 0.789 236 V N 0.189 120.078 119.914 -0.041 0.000 2.323 236 V HA -0.173 3.947 4.120 0.000 0.000 0.244 236 V C 2.913 178.970 176.094 -0.061 0.000 1.041 236 V CA 1.319 63.579 62.300 -0.065 0.000 1.025 236 V CB -1.361 30.425 31.823 -0.063 0.000 0.656 236 V HN -0.026 nan 8.190 nan 0.000 0.451 237 L N 0.079 121.284 121.223 -0.031 0.000 2.079 237 L HA -0.225 4.115 4.340 0.000 0.000 0.210 237 L C 2.671 179.535 176.870 -0.011 0.000 1.081 237 L CA 2.017 56.849 54.840 -0.013 0.000 0.752 237 L CB -0.534 41.527 42.059 0.004 0.000 0.896 237 L HN 0.448 nan 8.230 nan 0.000 0.433 238 E N 0.210 120.401 120.200 -0.014 0.000 2.110 238 E HA -0.255 4.095 4.350 0.000 0.000 0.193 238 E C 2.199 178.790 176.600 -0.016 0.000 0.988 238 E CA 1.179 57.573 56.400 -0.009 0.000 0.804 238 E CB 0.031 29.724 29.700 -0.011 0.000 0.745 238 E HN 0.485 nan 8.360 nan 0.000 0.458 239 A N 0.384 123.179 122.820 -0.041 0.000 1.902 239 A HA -0.124 4.196 4.320 0.000 0.000 0.217 239 A C 2.339 179.890 177.584 -0.056 0.000 1.181 239 A CA 1.371 53.370 52.037 -0.063 0.000 0.623 239 A CB -0.477 18.455 19.000 -0.115 0.000 0.818 239 A HN 0.224 nan 8.150 nan 0.000 0.443 240 V N -0.243 119.636 119.914 -0.059 0.000 2.667 240 V HA -0.140 3.980 4.120 0.000 0.000 0.252 240 V C 2.935 179.077 176.094 0.079 0.000 1.065 240 V CA 1.391 63.705 62.300 0.023 0.000 1.083 240 V CB -1.087 30.758 31.823 0.036 0.000 0.692 240 V HN 0.611 nan 8.190 nan 0.000 0.468 241 A N 0.031 122.875 122.820 0.039 0.000 1.851 241 A HA -0.174 4.146 4.320 0.000 0.000 0.216 241 A C 1.593 179.205 177.584 0.048 0.000 1.195 241 A CA 1.332 53.393 52.037 0.040 0.000 0.622 241 A CB -0.281 18.733 19.000 0.023 0.000 0.831 241 A HN 0.534 nan 8.150 nan 0.000 0.444 242 K N -2.796 117.628 120.400 0.040 0.000 2.136 242 K HA 0.396 4.716 4.320 0.000 0.000 0.237 242 K C 1.109 177.756 176.600 0.077 0.000 1.048 242 K CA 0.252 56.565 56.287 0.044 0.000 0.880 242 K CB 0.052 32.570 32.500 0.030 0.000 1.105 242 K HN 0.852 nan 8.250 nan 0.000 0.507 243 A N -0.083 122.784 122.820 0.080 0.000 4.287 243 A HA -0.212 4.108 4.320 0.000 0.000 0.258 243 A C 1.143 178.784 177.584 0.095 0.000 0.811 243 A CA 1.601 53.708 52.037 0.116 0.000 1.245 243 A CB -2.505 16.633 19.000 0.229 0.000 1.055 243 A HN 1.445 nan 8.150 nan 0.000 0.763 244 G N -0.583 108.267 108.800 0.083 0.000 2.386 244 G HA2 -0.217 3.743 3.960 0.000 0.000 0.295 244 G HA3 -0.217 3.743 3.960 0.000 0.000 0.295 244 G C -0.142 174.788 174.900 0.050 0.000 0.979 244 G CA 1.510 46.645 45.100 0.059 0.000 1.193 244 G HN 1.148 nan 8.290 nan 0.000 0.508 245 K N 0.591 121.044 120.400 0.088 0.000 2.375 245 K HA 0.528 4.848 4.320 0.000 0.000 0.249 245 K C -2.271 174.376 176.600 0.079 0.000 0.942 245 K CA -2.062 54.246 56.287 0.034 0.000 0.806 245 K CB 2.954 35.405 32.500 -0.081 0.000 1.227 245 K HN 0.099 nan 8.250 nan 0.000 0.430 246 P HA 0.140 nan 4.420 nan 0.000 0.274 246 P C -1.206 176.144 177.300 0.083 0.000 1.237 246 P CA -0.569 62.556 63.100 0.041 0.000 0.793 246 P CB 0.784 32.487 31.700 0.005 0.000 0.977 247 L N 2.297 123.562 121.223 0.070 0.000 2.385 247 L HA 0.535 4.875 4.340 0.000 0.000 0.273 247 L C -1.371 175.508 176.870 0.015 0.000 0.990 247 L CA -0.997 53.896 54.840 0.089 0.000 0.821 247 L CB 1.585 43.699 42.059 0.092 0.000 1.279 247 L HN 0.185 nan 8.230 nan 0.000 0.412 248 L N 6.098 127.339 121.223 0.030 0.000 2.287 248 L HA 0.616 4.956 4.340 0.000 0.000 0.287 248 L C -1.171 175.707 176.870 0.014 0.000 1.022 248 L CA -0.149 54.687 54.840 -0.006 0.000 0.814 248 L CB 1.054 43.127 42.059 0.023 0.000 1.217 248 L HN 0.456 nan 8.230 nan 0.000 0.420 249 I N 7.031 127.592 120.570 -0.014 0.000 2.315 249 I HA 0.294 4.464 4.170 0.000 0.000 0.291 249 I C -0.122 176.020 176.117 0.042 0.000 1.006 249 I CA -0.170 61.138 61.300 0.014 0.000 1.265 249 I CB 1.127 39.132 38.000 0.009 0.000 1.387 249 I HN 0.594 nan 8.210 nan 0.000 0.475 250 I N 6.181 126.782 120.570 0.052 0.000 2.460 250 I HA 0.489 4.659 4.170 0.000 0.000 0.277 250 I C 0.265 176.405 176.117 0.039 0.000 1.057 250 I CA -0.228 61.111 61.300 0.066 0.000 1.179 250 I CB 1.184 39.215 38.000 0.053 0.000 1.329 250 I HN 0.619 nan 8.210 nan 0.000 0.478 251 A N 4.118 126.969 122.820 0.052 0.000 2.387 251 A HA 0.456 4.776 4.320 0.000 0.000 0.298 251 A C 0.882 178.495 177.584 0.048 0.000 1.165 251 A CA -0.530 51.532 52.037 0.041 0.000 0.814 251 A CB 1.369 20.396 19.000 0.044 0.000 1.357 251 A HN 0.690 nan 8.150 nan 0.000 0.443 252 E N -0.753 119.472 120.200 0.041 0.000 2.265 252 E HA -0.079 4.271 4.350 0.000 0.000 0.196 252 E C -0.462 176.175 176.600 0.061 0.000 0.996 252 E CA 1.489 57.918 56.400 0.048 0.000 0.832 252 E CB 0.131 29.856 29.700 0.041 0.000 0.756 252 E HN 0.643 nan 8.360 nan 0.000 0.491 253 D N -2.295 118.142 120.400 0.063 0.000 2.954 253 D HA 0.021 4.661 4.640 0.000 0.000 0.260 253 D C -1.983 174.361 176.300 0.073 0.000 1.072 253 D CA -0.452 53.592 54.000 0.072 0.000 0.735 253 D CB 0.998 41.836 40.800 0.064 0.000 1.934 253 D HN -0.138 nan 8.370 nan 0.000 0.458 254 V N 2.866 122.834 119.914 0.090 0.000 2.376 254 V HA 0.414 4.534 4.120 0.000 0.000 0.287 254 V C 0.270 176.416 176.094 0.087 0.000 1.015 254 V CA -0.683 61.673 62.300 0.092 0.000 0.834 254 V CB 1.310 33.209 31.823 0.126 0.000 1.001 254 V HN 0.478 nan 8.190 nan 0.000 0.428 255 E N 2.635 122.874 120.200 0.065 0.000 2.392 255 E HA 0.294 4.644 4.350 0.000 0.000 0.259 255 E C 1.435 178.065 176.600 0.049 0.000 1.108 255 E CA 0.416 56.848 56.400 0.053 0.000 0.916 255 E CB 1.127 30.851 29.700 0.040 0.000 0.989 255 E HN 0.769 nan 8.360 nan 0.000 0.432 256 G N 2.094 110.918 108.800 0.039 0.000 2.859 256 G HA2 -0.456 3.504 3.960 0.000 0.000 0.236 256 G HA3 -0.456 3.504 3.960 0.000 0.000 0.236 256 G C 1.359 176.270 174.900 0.019 0.000 1.207 256 G CA 1.753 46.870 45.100 0.027 0.000 0.769 256 G HN 0.661 nan 8.290 nan 0.000 0.674 257 E N 0.712 120.920 120.200 0.015 0.000 2.058 257 E HA -0.025 4.325 4.350 0.000 0.000 0.194 257 E C 2.847 179.457 176.600 0.016 0.000 0.997 257 E CA 1.921 58.326 56.400 0.008 0.000 0.801 257 E CB -0.740 28.965 29.700 0.008 0.000 0.746 257 E HN 0.436 nan 8.360 nan 0.000 0.450 258 A N 0.299 123.137 122.820 0.030 0.000 1.883 258 A HA -0.183 4.137 4.320 0.000 0.000 0.217 258 A C 2.233 179.855 177.584 0.063 0.000 1.186 258 A CA 1.665 53.727 52.037 0.043 0.000 0.624 258 A CB -0.939 18.090 19.000 0.049 0.000 0.822 258 A HN 0.381 nan 8.150 nan 0.000 0.444 259 L N -0.255 121.013 121.223 0.074 0.000 2.042 259 L HA -0.114 4.226 4.340 0.000 0.000 0.210 259 L C 2.751 179.644 176.870 0.039 0.000 1.076 259 L CA 2.204 57.107 54.840 0.105 0.000 0.749 259 L CB -0.792 41.325 42.059 0.096 0.000 0.893 259 L HN 0.378 nan 8.230 nan 0.000 0.432 260 A N -1.656 121.160 122.820 -0.006 0.000 1.883 260 A HA -0.248 4.072 4.320 0.000 0.000 0.217 260 A C 2.273 179.832 177.584 -0.041 0.000 1.186 260 A CA 2.474 54.476 52.037 -0.058 0.000 0.624 260 A CB -1.277 17.691 19.000 -0.054 0.000 0.822 260 A HN 0.518 nan 8.150 nan 0.000 0.444 261 T N 0.643 115.196 114.554 -0.002 0.000 2.684 261 T HA -0.137 4.213 4.350 0.000 0.000 0.267 261 T C 1.824 176.545 174.700 0.034 0.000 1.036 261 T CA 1.565 63.670 62.100 0.009 0.000 1.148 261 T CB -0.465 68.415 68.868 0.021 0.000 0.863 261 T HN 0.386 nan 8.240 nan 0.000 0.436 262 L N 0.599 121.871 121.223 0.082 0.000 1.989 262 L HA -0.122 4.218 4.340 0.000 0.000 0.211 262 L C 2.724 179.695 176.870 0.168 0.000 1.071 262 L CA 1.088 56.021 54.840 0.154 0.000 0.749 262 L CB -0.925 41.294 42.059 0.266 0.000 0.890 262 L HN 0.140 nan 8.230 nan 0.000 0.431 263 V N -0.456 119.513 119.914 0.091 0.000 2.255 263 V HA -0.294 3.826 4.120 0.000 0.000 0.247 263 V C 2.469 178.540 176.094 -0.039 0.000 1.051 263 V CA 1.836 64.118 62.300 -0.030 0.000 1.018 263 V CB -0.390 31.263 31.823 -0.283 0.000 0.641 263 V HN 0.185 nan 8.190 nan 0.000 0.445 264 V N 0.436 120.308 119.914 -0.070 0.000 2.219 264 V HA -0.380 3.740 4.120 0.000 0.000 0.248 264 V C 2.106 178.191 176.094 -0.015 0.000 1.053 264 V CA 2.841 65.105 62.300 -0.061 0.000 1.009 264 V CB -1.074 30.714 31.823 -0.058 0.000 0.636 264 V HN 0.632 nan 8.190 nan 0.000 0.445 265 N N -0.048 118.658 118.700 0.009 0.000 2.149 265 N HA -0.186 4.554 4.740 0.000 0.000 0.188 265 N C 1.864 177.396 175.510 0.037 0.000 1.019 265 N CA 1.798 54.861 53.050 0.022 0.000 0.857 265 N CB -0.244 38.260 38.487 0.028 0.000 0.997 265 N HN 0.735 nan 8.380 nan 0.000 0.426 266 T N -1.378 113.214 114.554 0.063 0.000 2.995 266 T HA -0.043 4.307 4.350 0.000 0.000 0.269 266 T C 1.665 176.401 174.700 0.059 0.000 1.091 266 T CA 0.602 62.747 62.100 0.076 0.000 1.128 266 T CB -0.086 68.859 68.868 0.128 0.000 0.891 266 T HN 0.131 nan 8.240 nan 0.000 0.492 267 M N 0.236 119.861 119.600 0.042 0.000 2.562 267 M HA 0.235 4.715 4.480 0.000 0.000 0.257 267 M C 1.876 178.183 176.300 0.012 0.000 1.099 267 M CA 0.733 56.047 55.300 0.023 0.000 1.099 267 M CB 0.063 32.659 32.600 -0.007 0.000 1.427 267 M HN 0.132 nan 8.290 nan 0.000 0.489 268 R N -0.966 119.541 120.500 0.012 0.000 2.334 268 R HA 0.241 4.581 4.340 0.000 0.000 0.216 268 R C 1.178 177.485 176.300 0.012 0.000 0.905 268 R CA 0.563 56.667 56.100 0.007 0.000 1.064 268 R CB 0.358 30.660 30.300 0.002 0.000 1.046 268 R HN 0.538 nan 8.270 nan 0.000 0.508 269 G N 1.467 110.279 108.800 0.020 0.000 2.268 269 G HA2 -0.278 3.682 3.960 0.000 0.000 0.240 269 G HA3 -0.278 3.682 3.960 0.000 0.000 0.240 269 G C 0.271 175.186 174.900 0.023 0.000 1.010 269 G CA -0.300 44.813 45.100 0.021 0.000 0.618 269 G HN 0.240 nan 8.290 nan 0.000 0.516 270 I N 2.115 122.698 120.570 0.023 0.000 2.308 270 I HA 0.433 4.603 4.170 0.000 0.000 0.293 270 I C 0.736 176.872 176.117 0.032 0.000 1.078 270 I CA -0.557 60.757 61.300 0.024 0.000 1.292 270 I CB 0.866 38.877 38.000 0.019 0.000 1.423 270 I HN 0.195 nan 8.210 nan 0.000 0.493 271 V N 5.328 125.264 119.914 0.037 0.000 3.480 271 V HA -0.225 3.895 4.120 0.000 0.000 0.494 271 V C 0.115 176.239 176.094 0.051 0.000 0.682 271 V CA 0.361 62.688 62.300 0.045 0.000 2.039 271 V CB -1.037 30.811 31.823 0.042 0.000 2.474 271 V HN 0.812 nan 8.190 nan 0.000 0.505 272 K N 3.966 124.396 120.400 0.050 0.000 2.253 272 K HA 0.711 5.031 4.320 0.000 0.000 0.277 272 K C -0.388 176.231 176.600 0.032 0.000 1.053 272 K CA -0.526 55.790 56.287 0.049 0.000 0.892 272 K CB 1.865 34.389 32.500 0.039 0.000 1.102 272 K HN 0.510 nan 8.250 nan 0.000 0.469 273 V N 1.304 121.233 119.914 0.026 0.000 2.914 273 V HA 0.794 4.914 4.120 0.000 0.000 0.314 273 V C -0.829 175.096 176.094 -0.282 0.000 1.084 273 V CA -1.025 61.242 62.300 -0.054 0.000 0.963 273 V CB 1.928 33.754 31.823 0.005 0.000 1.025 273 V HN 0.856 nan 8.190 nan 0.000 0.432 274 A N 1.907 124.434 122.820 -0.488 0.000 2.517 274 A HA 0.972 5.292 4.320 0.000 0.000 0.297 274 A C -0.732 176.478 177.584 -0.624 0.000 1.050 274 A CA -0.043 51.360 52.037 -1.057 0.000 0.694 274 A CB 1.753 20.412 19.000 -0.569 0.000 1.277 274 A HN 1.691 nan 8.150 nan 0.000 0.400 275 A N 0.915 123.355 122.820 -0.633 0.000 2.413 275 A HA 0.953 5.273 4.320 0.000 0.000 0.307 275 A C -0.375 177.241 177.584 0.053 0.000 1.087 275 A CA -0.110 51.860 52.037 -0.112 0.000 0.750 275 A CB 1.548 20.576 19.000 0.046 0.000 1.296 275 A HN 2.394 nan 8.150 nan 0.000 0.423 276 V N -1.335 118.639 119.914 0.100 0.000 3.120 276 V HA 0.606 4.726 4.120 0.000 0.000 0.303 276 V C -0.685 175.505 176.094 0.161 0.000 1.238 276 V CA -1.236 61.153 62.300 0.148 0.000 1.008 276 V CB 1.434 33.342 31.823 0.142 0.000 1.064 276 V HN 0.905 nan 8.190 nan 0.000 0.434 277 K N 1.845 122.341 120.400 0.161 0.000 2.219 277 K HA 0.666 4.986 4.320 0.000 0.000 0.258 277 K C 0.463 177.160 176.600 0.162 0.000 1.008 277 K CA 0.316 56.687 56.287 0.141 0.000 0.928 277 K CB 1.148 33.721 32.500 0.122 0.000 0.983 277 K HN 1.163 nan 8.250 nan 0.000 0.484 278 A N 3.695 126.567 122.820 0.086 0.000 2.462 278 A HA 0.209 4.529 4.320 0.000 0.000 0.243 278 A C -2.031 175.565 177.584 0.019 0.000 1.076 278 A CA -1.151 50.886 52.037 0.002 0.000 0.773 278 A CB -0.360 18.625 19.000 -0.025 0.000 1.010 278 A HN 0.469 nan 8.150 nan 0.000 0.493 279 P HA 0.326 nan 4.420 nan 0.000 0.269 279 P C 0.733 178.051 177.300 0.030 0.000 1.209 279 P CA 1.427 64.529 63.100 0.003 0.000 0.776 279 P CB 0.490 32.072 31.700 -0.196 0.000 0.876 280 G N 2.044 110.912 108.800 0.114 0.000 2.749 280 G HA2 -0.101 3.859 3.960 0.000 0.000 0.242 280 G HA3 -0.101 3.859 3.960 0.000 0.000 0.242 280 G C -0.653 174.386 174.900 0.232 0.000 1.364 280 G CA 0.175 45.369 45.100 0.156 0.000 0.888 280 G HN 0.758 nan 8.290 nan 0.000 0.566 281 F N -2.702 117.263 119.950 0.025 0.000 2.726 281 F HA 0.832 5.359 4.527 0.000 0.000 0.324 281 F C 1.119 176.933 175.800 0.024 0.000 1.140 281 F CA 0.214 58.229 58.000 0.024 0.000 0.964 281 F CB 0.818 39.836 39.000 0.031 0.000 1.399 281 F HN 2.423 nan 8.300 nan 0.000 0.491 282 G N 1.081 109.882 108.800 0.002 0.000 2.583 282 G HA2 -0.300 3.660 3.960 0.000 0.000 0.292 282 G HA3 -0.300 3.660 3.960 0.000 0.000 0.292 282 G C 0.285 175.110 174.900 -0.125 0.000 1.203 282 G CA 0.708 45.740 45.100 -0.114 0.000 0.987 282 G HN 0.858 nan 8.290 nan 0.000 0.554 283 D N 1.024 121.328 120.400 -0.160 0.000 2.183 283 D HA -0.019 4.621 4.640 0.000 0.000 0.205 283 D C 2.491 178.716 176.300 -0.125 0.000 0.962 283 D CA 1.253 55.189 54.000 -0.107 0.000 0.849 283 D CB -0.202 40.551 40.800 -0.080 0.000 0.978 283 D HN 0.688 nan 8.370 nan 0.000 0.488 284 R N 1.162 121.552 120.500 -0.184 0.000 2.341 284 R HA 0.010 4.351 4.340 0.000 0.000 0.213 284 R C 2.017 178.236 176.300 -0.134 0.000 1.082 284 R CA 0.639 56.643 56.100 -0.160 0.000 1.017 284 R CB -0.240 29.945 30.300 -0.193 0.000 0.860 284 R HN 0.064 nan 8.270 nan 0.000 0.473 285 R N 1.707 122.131 120.500 -0.126 0.000 2.057 285 R HA 0.006 4.346 4.340 0.000 0.000 0.224 285 R C 1.464 177.719 176.300 -0.075 0.000 1.136 285 R CA 1.103 57.154 56.100 -0.082 0.000 0.968 285 R CB 0.029 30.307 30.300 -0.036 0.000 0.863 285 R HN 0.187 nan 8.270 nan 0.000 0.433 286 K N 0.311 120.673 120.400 -0.063 0.000 2.103 286 K HA -0.108 4.212 4.320 0.000 0.000 0.207 286 K C 2.067 178.631 176.600 -0.061 0.000 1.048 286 K CA 1.474 57.730 56.287 -0.053 0.000 0.930 286 K CB -0.115 32.361 32.500 -0.041 0.000 0.716 286 K HN 0.230 nan 8.250 nan 0.000 0.444 287 A N 1.412 124.190 122.820 -0.069 0.000 1.855 287 A HA -0.142 4.178 4.320 0.000 0.000 0.215 287 A C 2.160 179.697 177.584 -0.078 0.000 1.191 287 A CA 1.416 53.413 52.037 -0.068 0.000 0.613 287 A CB -0.455 18.502 19.000 -0.071 0.000 0.829 287 A HN 0.152 nan 8.150 nan 0.000 0.442 288 M N -0.713 118.830 119.600 -0.095 0.000 2.149 288 M HA -0.097 4.383 4.480 0.000 0.000 0.261 288 M C 2.201 178.414 176.300 -0.144 0.000 1.064 288 M CA 1.222 56.451 55.300 -0.119 0.000 1.102 288 M CB -0.461 32.057 32.600 -0.137 0.000 1.369 288 M HN 0.421 nan 8.290 nan 0.000 0.408 289 L N 0.065 121.210 121.223 -0.130 0.000 2.079 289 L HA -0.264 4.076 4.340 0.000 0.000 0.210 289 L C 2.641 179.455 176.870 -0.093 0.000 1.081 289 L CA 1.404 56.168 54.840 -0.126 0.000 0.752 289 L CB -0.262 41.744 42.059 -0.088 0.000 0.896 289 L HN 0.338 nan 8.230 nan 0.000 0.433 290 Q N 0.113 119.869 119.800 -0.073 0.000 2.083 290 Q HA -0.203 4.137 4.340 0.000 0.000 0.198 290 Q C 1.674 177.644 176.000 -0.051 0.000 0.969 290 Q CA 1.839 57.610 55.803 -0.053 0.000 0.838 290 Q CB -0.132 28.580 28.738 -0.044 0.000 0.900 290 Q HN 0.403 nan 8.270 nan 0.000 0.436 291 D N 0.142 120.505 120.400 -0.061 0.000 2.116 291 D HA -0.199 4.441 4.640 0.000 0.000 0.193 291 D C 1.889 178.161 176.300 -0.046 0.000 0.998 291 D CA 1.661 55.630 54.000 -0.051 0.000 0.836 291 D CB -0.325 40.440 40.800 -0.058 0.000 0.951 291 D HN 0.390 nan 8.370 nan 0.000 0.449 292 I N 1.080 121.607 120.570 -0.072 0.000 2.264 292 I HA -0.277 3.893 4.170 0.000 0.000 0.248 292 I C 2.513 178.615 176.117 -0.025 0.000 1.111 292 I CA 1.058 62.324 61.300 -0.057 0.000 1.382 292 I CB -0.333 37.598 38.000 -0.114 0.000 1.060 292 I HN -0.063 nan 8.210 nan 0.000 0.418 293 A N 0.726 123.528 122.820 -0.031 0.000 1.858 293 A HA -0.212 4.108 4.320 0.000 0.000 0.216 293 A C 2.413 179.994 177.584 -0.005 0.000 1.190 293 A CA 2.584 54.614 52.037 -0.013 0.000 0.617 293 A CB -1.182 17.807 19.000 -0.019 0.000 0.827 293 A HN 0.381 nan 8.150 nan 0.000 0.443 294 T N 0.392 114.939 114.554 -0.011 0.000 2.788 294 T HA -0.103 4.247 4.350 0.000 0.000 0.268 294 T C 1.804 176.504 174.700 -0.001 0.000 1.044 294 T CA 1.239 63.335 62.100 -0.006 0.000 1.139 294 T CB -0.274 68.587 68.868 -0.012 0.000 0.867 294 T HN 0.294 nan 8.240 nan 0.000 0.454 295 L N 2.041 123.264 121.223 -0.001 0.000 2.141 295 L HA -0.028 4.312 4.340 0.000 0.000 0.209 295 L C 2.096 178.974 176.870 0.014 0.000 1.094 295 L CA 2.065 56.909 54.840 0.007 0.000 0.763 295 L CB -1.182 40.883 42.059 0.009 0.000 0.908 295 L HN 0.441 nan 8.230 nan 0.000 0.437 296 T N -4.480 110.085 114.554 0.018 0.000 3.054 296 T HA 0.300 4.650 4.350 0.000 0.000 0.255 296 T C 1.220 175.938 174.700 0.031 0.000 1.035 296 T CA 0.316 62.432 62.100 0.027 0.000 0.941 296 T CB 0.086 68.977 68.868 0.038 0.000 1.026 296 T HN 0.477 nan 8.240 nan 0.000 0.533 297 G N 0.551 109.364 108.800 0.023 0.000 2.221 297 G HA2 0.010 3.970 3.960 0.000 0.000 0.265 297 G HA3 0.010 3.970 3.960 0.000 0.000 0.265 297 G C 0.332 175.252 174.900 0.032 0.000 1.041 297 G CA -0.168 44.947 45.100 0.025 0.000 0.807 297 G HN 1.052 nan 8.290 nan 0.000 0.502 298 G N -1.698 107.118 108.800 0.028 0.000 2.552 298 G HA2 0.747 4.707 3.960 0.000 0.000 0.324 298 G HA3 0.747 4.707 3.960 0.000 0.000 0.324 298 G C -0.438 174.468 174.900 0.010 0.000 1.217 298 G CA 0.110 45.227 45.100 0.028 0.000 0.989 298 G HN 0.587 nan 8.290 nan 0.000 0.490 299 T N 0.522 115.078 114.554 0.004 0.000 2.786 299 T HA 0.406 4.756 4.350 0.000 0.000 0.283 299 T C 0.178 174.873 174.700 -0.008 0.000 0.992 299 T CA -0.267 61.830 62.100 -0.004 0.000 0.954 299 T CB 1.552 70.416 68.868 -0.007 0.000 0.934 299 T HN 0.345 nan 8.240 nan 0.000 0.440 300 V N 4.813 124.720 119.914 -0.013 0.000 2.655 300 V HA 0.199 4.319 4.120 0.000 0.000 0.300 300 V C 0.399 176.485 176.094 -0.013 0.000 1.044 300 V CA -0.063 62.228 62.300 -0.016 0.000 1.095 300 V CB 0.276 32.086 31.823 -0.022 0.000 0.952 300 V HN 0.770 nan 8.190 nan 0.000 0.485 301 I N 5.175 125.738 120.570 -0.012 0.000 2.388 301 I HA 0.285 4.455 4.170 0.000 0.000 0.281 301 I C 0.261 176.374 176.117 -0.008 0.000 1.046 301 I CA 0.068 61.362 61.300 -0.010 0.000 1.187 301 I CB 0.966 38.960 38.000 -0.010 0.000 1.351 301 I HN 0.724 nan 8.210 nan 0.000 0.472 302 S N 2.997 118.692 115.700 -0.008 0.000 2.501 302 S HA 0.410 4.880 4.470 0.000 0.000 0.301 302 S C 0.587 175.185 174.600 -0.004 0.000 1.096 302 S CA -0.828 57.368 58.200 -0.005 0.000 1.063 302 S CB 2.236 65.431 63.200 -0.008 0.000 1.042 302 S HN 0.560 nan 8.310 nan 0.000 0.494 303 E N 1.423 121.622 120.200 -0.001 0.000 2.152 303 E HA -0.139 4.211 4.350 0.000 0.000 0.192 303 E C 1.472 178.072 176.600 -0.000 0.000 0.983 303 E CA 1.024 57.424 56.400 0.000 0.000 0.818 303 E CB -0.071 29.631 29.700 0.003 0.000 0.758 303 E HN 0.799 nan 8.360 nan 0.000 0.467 304 E N 0.921 121.121 120.200 -0.001 0.000 2.065 304 E HA -0.217 4.133 4.350 0.000 0.000 0.201 304 E C 1.999 178.598 176.600 -0.002 0.000 1.016 304 E CA 1.149 57.549 56.400 -0.001 0.000 0.818 304 E CB -0.229 29.470 29.700 -0.002 0.000 0.749 304 E HN 0.306 nan 8.360 nan 0.000 0.453 305 I N -0.043 120.525 120.570 -0.004 0.000 3.083 305 I HA -0.065 4.105 4.170 0.000 0.000 0.273 305 I C 1.320 177.434 176.117 -0.004 0.000 1.297 305 I CA 0.695 61.992 61.300 -0.005 0.000 1.452 305 I CB -0.288 37.709 38.000 -0.006 0.000 1.078 305 I HN 0.333 nan 8.210 nan 0.000 0.484 306 G N 1.102 109.900 108.800 -0.003 0.000 2.130 306 G HA2 -0.249 3.711 3.960 0.000 0.000 0.216 306 G HA3 -0.249 3.711 3.960 0.000 0.000 0.216 306 G C 0.212 175.110 174.900 -0.004 0.000 0.999 306 G CA -0.362 44.736 45.100 -0.003 0.000 0.686 306 G HN 0.238 nan 8.290 nan 0.000 0.515 307 M N 0.231 119.828 119.600 -0.005 0.000 2.255 307 M HA 0.518 4.998 4.480 0.000 0.000 0.336 307 M C 0.419 176.716 176.300 -0.006 0.000 1.135 307 M CA 0.246 55.542 55.300 -0.006 0.000 1.145 307 M CB 0.851 33.446 32.600 -0.008 0.000 1.473 307 M HN 0.243 nan 8.290 nan 0.000 0.462 308 E N 1.338 121.533 120.200 -0.007 0.000 2.256 308 E HA 0.301 4.651 4.350 0.000 0.000 0.267 308 E C 0.136 176.730 176.600 -0.010 0.000 0.892 308 E CA -0.551 55.845 56.400 -0.007 0.000 0.775 308 E CB 2.257 31.953 29.700 -0.006 0.000 1.207 308 E HN 0.637 nan 8.360 nan 0.000 0.420 309 L N 1.438 122.656 121.223 -0.008 0.000 2.093 309 L HA -0.168 4.172 4.340 0.000 0.000 0.208 309 L C 1.666 178.527 176.870 -0.015 0.000 1.085 309 L CA 1.251 56.085 54.840 -0.011 0.000 0.755 309 L CB -0.192 41.864 42.059 -0.006 0.000 0.904 309 L HN 0.564 nan 8.230 nan 0.000 0.435 310 E N 0.404 120.597 120.200 -0.012 0.000 2.160 310 E HA -0.186 4.164 4.350 0.000 0.000 0.195 310 E C 1.452 178.041 176.600 -0.018 0.000 0.991 310 E CA 1.008 57.399 56.400 -0.014 0.000 0.810 310 E CB -0.046 29.648 29.700 -0.010 0.000 0.742 310 E HN 0.344 nan 8.360 nan 0.000 0.466 311 K N 0.242 120.631 120.400 -0.018 0.000 2.469 311 K HA 0.317 4.637 4.320 0.000 0.000 0.201 311 K C -0.160 176.424 176.600 -0.026 0.000 1.028 311 K CA -0.057 56.218 56.287 -0.020 0.000 1.170 311 K CB 0.830 33.321 32.500 -0.015 0.000 0.874 311 K HN 0.000 nan 8.250 nan 0.000 0.507 312 A N 1.915 124.716 122.820 -0.032 0.000 2.301 312 A HA 0.293 4.613 4.320 0.000 0.000 0.298 312 A C 0.435 177.982 177.584 -0.062 0.000 1.185 312 A CA -0.403 51.609 52.037 -0.043 0.000 0.830 312 A CB 0.324 19.299 19.000 -0.042 0.000 1.112 312 A HN 0.243 nan 8.150 nan 0.000 0.508 313 T N 0.069 114.581 114.554 -0.070 0.000 2.938 313 T HA 0.513 4.863 4.350 0.000 0.000 0.285 313 T C 1.142 175.756 174.700 -0.144 0.000 1.028 313 T CA -0.760 61.284 62.100 -0.093 0.000 1.005 313 T CB 0.558 69.386 68.868 -0.067 0.000 1.157 313 T HN 0.349 nan 8.240 nan 0.000 0.550 314 L N -0.038 121.062 121.223 -0.204 0.000 2.189 314 L HA -0.084 4.256 4.340 0.000 0.000 0.214 314 L C 2.863 179.616 176.870 -0.195 0.000 1.097 314 L CA 1.677 56.304 54.840 -0.355 0.000 0.764 314 L CB -0.561 41.261 42.059 -0.395 0.000 0.900 314 L HN 0.870 nan 8.230 nan 0.000 0.436 315 E N -0.001 120.145 120.200 -0.090 0.000 2.268 315 E HA -0.205 4.145 4.350 0.000 0.000 0.195 315 E C 1.333 177.922 176.600 -0.018 0.000 0.995 315 E CA 0.816 57.200 56.400 -0.026 0.000 0.836 315 E CB 0.203 29.894 29.700 -0.015 0.000 0.763 315 E HN 0.474 nan 8.360 nan 0.000 0.491 316 D N -0.103 120.271 120.400 -0.043 0.000 2.289 316 D HA -0.038 4.602 4.640 0.000 0.000 0.207 316 D C 0.056 176.347 176.300 -0.016 0.000 0.966 316 D CA 0.241 54.224 54.000 -0.028 0.000 0.868 316 D CB 0.248 41.026 40.800 -0.037 0.000 0.943 316 D HN 0.123 nan 8.370 nan 0.000 0.514 317 L N 1.034 122.237 121.223 -0.033 0.000 2.426 317 L HA 0.265 4.605 4.340 0.000 0.000 0.271 317 L C 1.515 178.455 176.870 0.115 0.000 1.169 317 L CA 0.016 54.867 54.840 0.019 0.000 0.836 317 L CB 0.719 42.739 42.059 -0.066 0.000 1.112 317 L HN -0.154 nan 8.230 nan 0.000 0.465 318 G N 1.571 110.442 108.800 0.118 0.000 2.516 318 G HA2 0.449 4.409 3.960 0.000 0.000 0.276 318 G HA3 0.449 4.409 3.960 0.000 0.000 0.276 318 G C -0.814 174.185 174.900 0.165 0.000 1.390 318 G CA -0.141 45.026 45.100 0.111 0.000 1.050 318 G HN 0.573 nan 8.290 nan 0.000 0.519 319 Q N -2.702 117.151 119.800 0.088 0.000 2.545 319 Q HA 0.541 4.881 4.340 0.000 0.000 0.273 319 Q C -1.308 174.691 176.000 -0.002 0.000 0.975 319 Q CA -0.469 55.352 55.803 0.030 0.000 0.876 319 Q CB 1.958 30.704 28.738 0.014 0.000 1.472 319 Q HN 1.149 nan 8.270 nan 0.000 0.389 320 A N 1.901 124.700 122.820 -0.035 0.000 2.612 320 A HA 0.448 4.768 4.320 0.000 0.000 0.293 320 A C -0.788 176.767 177.584 -0.049 0.000 1.075 320 A CA -0.628 51.394 52.037 -0.025 0.000 0.680 320 A CB 1.483 20.484 19.000 0.001 0.000 1.279 320 A HN 0.757 nan 8.150 nan 0.000 0.411 321 K N -0.437 119.941 120.400 -0.037 0.000 2.217 321 K HA 0.041 4.361 4.320 0.000 0.000 0.202 321 K C 0.664 177.242 176.600 -0.037 0.000 1.051 321 K CA 1.209 57.471 56.287 -0.043 0.000 0.952 321 K CB 0.186 32.667 32.500 -0.032 0.000 0.736 321 K HN 0.534 nan 8.250 nan 0.000 0.453 322 R N 0.156 120.640 120.500 -0.025 0.000 2.633 322 R HA 0.149 4.489 4.340 0.000 0.000 0.255 322 R C -1.933 174.361 176.300 -0.011 0.000 1.106 322 R CA -0.532 55.556 56.100 -0.020 0.000 0.959 322 R CB 1.650 31.940 30.300 -0.017 0.000 1.259 322 R HN -0.043 nan 8.270 nan 0.000 0.453 323 V N 0.866 120.774 119.914 -0.010 0.000 2.735 323 V HA 0.861 4.981 4.120 0.000 0.000 0.310 323 V C -1.268 174.819 176.094 -0.012 0.000 1.061 323 V CA -0.615 61.681 62.300 -0.007 0.000 0.913 323 V CB 2.149 33.973 31.823 0.002 0.000 1.005 323 V HN 0.430 nan 8.190 nan 0.000 0.428 324 V N 5.760 125.660 119.914 -0.023 0.000 2.483 324 V HA 0.550 4.670 4.120 0.000 0.000 0.297 324 V C -0.275 175.799 176.094 -0.034 0.000 1.027 324 V CA -0.285 62.006 62.300 -0.015 0.000 0.855 324 V CB 1.558 33.374 31.823 -0.012 0.000 0.995 324 V HN 0.858 nan 8.190 nan 0.000 0.424 325 I N 4.498 125.072 120.570 0.007 0.000 2.377 325 I HA 0.498 4.668 4.170 0.000 0.000 0.293 325 I C 0.092 176.246 176.117 0.062 0.000 0.987 325 I CA -0.405 60.901 61.300 0.009 0.000 1.185 325 I CB 1.708 39.754 38.000 0.077 0.000 1.341 325 I HN 0.512 nan 8.210 nan 0.000 0.455 326 N N 3.819 122.474 118.700 -0.075 0.000 2.671 326 N HA 0.229 4.969 4.740 0.000 0.000 0.303 326 N C 0.778 175.983 175.510 -0.507 0.000 1.277 326 N CA -0.535 52.442 53.050 -0.121 0.000 0.933 326 N CB 1.395 39.808 38.487 -0.123 0.000 1.190 326 N HN 0.542 nan 8.380 nan 0.000 0.600 327 K N -0.110 120.034 120.400 -0.426 0.000 2.209 327 K HA -0.140 4.180 4.320 0.000 0.000 0.204 327 K C -0.606 175.662 176.600 -0.552 0.000 1.048 327 K CA 1.862 57.769 56.287 -0.634 0.000 0.940 327 K CB 0.026 32.419 32.500 -0.178 0.000 0.729 327 K HN 0.619 nan 8.250 nan 0.000 0.451 328 D N -1.456 118.735 120.400 -0.348 0.000 2.969 328 D HA 0.110 4.750 4.640 0.000 0.000 0.317 328 D C -0.845 175.346 176.300 -0.182 0.000 1.650 328 D CA -0.500 53.360 54.000 -0.233 0.000 0.789 328 D CB 0.559 41.272 40.800 -0.144 0.000 1.277 328 D HN -0.117 nan 8.370 nan 0.000 0.463 329 T N -0.432 113.988 114.554 -0.223 0.000 2.982 329 T HA 0.637 4.987 4.350 0.000 0.000 0.321 329 T C -1.442 173.074 174.700 -0.307 0.000 1.229 329 T CA -0.347 61.616 62.100 -0.228 0.000 1.044 329 T CB 2.053 70.833 68.868 -0.146 0.000 1.184 329 T HN -0.037 nan 8.240 nan 0.000 0.477 330 T N 2.041 116.284 114.554 -0.518 0.000 2.879 330 T HA 0.632 4.982 4.350 0.000 0.000 0.290 330 T C -0.814 173.566 174.700 -0.534 0.000 0.993 330 T CA -0.545 61.192 62.100 -0.605 0.000 0.975 330 T CB 1.622 69.894 68.868 -0.993 0.000 0.981 330 T HN 0.599 nan 8.240 nan 0.000 0.439 331 T N 3.742 118.152 114.554 -0.240 0.000 2.840 331 T HA 0.636 4.986 4.350 0.000 0.000 0.287 331 T C -0.632 174.051 174.700 -0.028 0.000 0.991 331 T CA -0.658 61.379 62.100 -0.105 0.000 0.964 331 T CB 0.140 68.967 68.868 -0.068 0.000 0.954 331 T HN 0.492 nan 8.240 nan 0.000 0.438 332 I N 6.275 126.868 120.570 0.038 0.000 2.315 332 I HA 0.418 4.588 4.170 0.000 0.000 0.291 332 I C -0.156 175.980 176.117 0.032 0.000 1.006 332 I CA -0.737 60.595 61.300 0.054 0.000 1.265 332 I CB 1.174 39.238 38.000 0.108 0.000 1.387 332 I HN 0.561 nan 8.210 nan 0.000 0.475 333 I N 6.038 126.616 120.570 0.014 0.000 2.355 333 I HA 0.256 4.426 4.170 0.000 0.000 0.288 333 I C -0.490 175.628 176.117 0.001 0.000 0.999 333 I CA -0.395 60.908 61.300 0.005 0.000 1.163 333 I CB 1.107 39.104 38.000 -0.004 0.000 1.316 333 I HN 0.567 nan 8.210 nan 0.000 0.454 334 D N 5.065 125.467 120.400 0.002 0.000 3.241 334 D HA -0.106 4.534 4.640 0.000 0.000 0.248 334 D C 0.156 176.455 176.300 -0.001 0.000 1.093 334 D CA 0.786 54.785 54.000 -0.002 0.000 0.940 334 D CB -0.231 40.564 40.800 -0.009 0.000 0.980 334 D HN 0.832 nan 8.370 nan 0.000 0.421 335 G N 0.349 109.153 108.800 0.007 0.000 2.432 335 G HA2 0.384 4.344 3.960 0.000 0.000 0.257 335 G HA3 0.384 4.344 3.960 0.000 0.000 0.257 335 G C 1.446 176.349 174.900 0.005 0.000 1.238 335 G CA -0.299 44.806 45.100 0.010 0.000 0.838 335 G HN 0.274 nan 8.290 nan 0.000 0.547 336 V N 2.527 122.444 119.914 0.006 0.000 2.809 336 V HA 0.021 4.141 4.120 0.000 0.000 0.256 336 V C 2.253 178.353 176.094 0.010 0.000 1.080 336 V CA 0.964 63.267 62.300 0.005 0.000 1.102 336 V CB -1.192 30.636 31.823 0.008 0.000 0.705 336 V HN 0.885 nan 8.190 nan 0.000 0.475 337 G N 1.400 110.207 108.800 0.012 0.000 2.238 337 G HA2 -0.068 3.892 3.960 0.000 0.000 0.234 337 G HA3 -0.068 3.892 3.960 0.000 0.000 0.234 337 G C -0.002 174.902 174.900 0.007 0.000 1.181 337 G CA -0.110 44.996 45.100 0.010 0.000 0.871 337 G HN 0.323 nan 8.290 nan 0.000 0.490 338 E N 1.667 121.870 120.200 0.006 0.000 2.376 338 E HA 0.011 4.361 4.350 0.000 0.000 0.266 338 E C 1.447 178.048 176.600 0.002 0.000 1.009 338 E CA -0.218 56.184 56.400 0.004 0.000 0.902 338 E CB 0.930 30.633 29.700 0.004 0.000 0.972 338 E HN 0.626 nan 8.360 nan 0.000 0.439 339 E N 2.073 122.273 120.200 0.001 0.000 2.160 339 E HA -0.229 4.121 4.350 0.000 0.000 0.195 339 E C 1.575 178.175 176.600 -0.001 0.000 0.991 339 E CA 1.227 57.627 56.400 -0.000 0.000 0.810 339 E CB 0.111 29.810 29.700 -0.001 0.000 0.742 339 E HN 0.550 nan 8.360 nan 0.000 0.466 340 A N 1.444 124.264 122.820 -0.001 0.000 1.877 340 A HA -0.094 4.226 4.320 0.000 0.000 0.216 340 A C 2.414 179.996 177.584 -0.002 0.000 1.186 340 A CA 1.916 53.952 52.037 -0.001 0.000 0.620 340 A CB -0.512 18.487 19.000 -0.001 0.000 0.822 340 A HN 0.287 nan 8.150 nan 0.000 0.443 341 A N -0.273 122.546 122.820 -0.002 0.000 1.897 341 A HA 0.009 4.329 4.320 0.000 0.000 0.215 341 A C 2.142 179.723 177.584 -0.004 0.000 1.181 341 A CA 1.366 53.401 52.037 -0.003 0.000 0.620 341 A CB -0.553 18.446 19.000 -0.001 0.000 0.821 341 A HN 0.482 nan 8.150 nan 0.000 0.443 342 I N -0.949 119.619 120.570 -0.003 0.000 2.113 342 I HA -0.267 3.903 4.170 0.000 0.000 0.238 342 I C 2.768 178.882 176.117 -0.005 0.000 1.070 342 I CA 1.788 63.085 61.300 -0.004 0.000 1.332 342 I CB -0.349 37.650 38.000 -0.002 0.000 1.044 342 I HN 0.324 nan 8.210 nan 0.000 0.402 343 Q N 1.251 121.048 119.800 -0.004 0.000 2.181 343 Q HA -0.141 4.199 4.340 0.000 0.000 0.205 343 Q C 2.014 178.010 176.000 -0.006 0.000 0.980 343 Q CA 2.005 57.805 55.803 -0.005 0.000 0.862 343 Q CB -0.732 28.003 28.738 -0.004 0.000 0.905 343 Q HN 0.520 nan 8.270 nan 0.000 0.429 344 G N -0.317 108.479 108.800 -0.006 0.000 2.403 344 G HA2 -0.279 3.681 3.960 0.000 0.000 0.216 344 G HA3 -0.279 3.681 3.960 0.000 0.000 0.216 344 G C 1.548 176.443 174.900 -0.009 0.000 1.154 344 G CA 0.736 45.832 45.100 -0.007 0.000 0.784 344 G HN 0.344 nan 8.290 nan 0.000 0.538 345 R N 0.447 120.941 120.500 -0.010 0.000 2.091 345 R HA -0.044 4.296 4.340 0.000 0.000 0.238 345 R C 2.520 178.811 176.300 -0.015 0.000 1.136 345 R CA 1.636 57.728 56.100 -0.013 0.000 0.959 345 R CB -0.934 29.358 30.300 -0.014 0.000 0.856 345 R HN 0.199 nan 8.270 nan 0.000 0.437 346 V N 0.909 120.815 119.914 -0.013 0.000 2.392 346 V HA -0.234 3.886 4.120 0.000 0.000 0.249 346 V C 2.387 178.473 176.094 -0.013 0.000 1.059 346 V CA 1.906 64.198 62.300 -0.013 0.000 1.051 346 V CB -1.032 30.785 31.823 -0.010 0.000 0.658 346 V HN 0.565 nan 8.190 nan 0.000 0.455 347 A N -0.589 122.224 122.820 -0.012 0.000 1.877 347 A HA -0.300 4.020 4.320 0.000 0.000 0.216 347 A C 2.191 179.768 177.584 -0.013 0.000 1.186 347 A CA 2.018 54.049 52.037 -0.011 0.000 0.620 347 A CB -0.513 18.482 19.000 -0.009 0.000 0.822 347 A HN 0.624 nan 8.150 nan 0.000 0.443 348 Q N -0.491 119.301 119.800 -0.014 0.000 2.096 348 Q HA -0.150 4.190 4.340 0.000 0.000 0.204 348 Q C 2.035 178.023 176.000 -0.019 0.000 0.982 348 Q CA 1.703 57.497 55.803 -0.015 0.000 0.850 348 Q CB -0.398 28.330 28.738 -0.016 0.000 0.901 348 Q HN 0.769 nan 8.270 nan 0.000 0.422 349 I N 0.080 120.637 120.570 -0.021 0.000 2.394 349 I HA -0.223 3.947 4.170 0.000 0.000 0.251 349 I C 2.259 178.361 176.117 -0.024 0.000 1.136 349 I CA 0.924 62.208 61.300 -0.026 0.000 1.425 349 I CB -0.219 37.763 38.000 -0.029 0.000 1.079 349 I HN 0.107 nan 8.210 nan 0.000 0.425 350 R N 0.370 120.858 120.500 -0.019 0.000 2.148 350 R HA -0.108 4.232 4.340 0.000 0.000 0.227 350 R C 2.252 178.543 176.300 -0.015 0.000 1.103 350 R CA 0.922 57.012 56.100 -0.017 0.000 0.983 350 R CB -0.041 30.251 30.300 -0.014 0.000 0.874 350 R HN 0.470 nan 8.270 nan 0.000 0.451 351 Q N -0.318 119.473 119.800 -0.015 0.000 2.187 351 Q HA -0.091 4.249 4.340 0.000 0.000 0.199 351 Q C 1.938 177.929 176.000 -0.014 0.000 0.957 351 Q CA 0.706 56.502 55.803 -0.013 0.000 0.857 351 Q CB 0.272 29.003 28.738 -0.011 0.000 0.929 351 Q HN 0.341 nan 8.270 nan 0.000 0.453 352 Q N 0.584 120.373 119.800 -0.018 0.000 2.096 352 Q HA -0.170 4.170 4.340 0.000 0.000 0.204 352 Q C 2.108 178.096 176.000 -0.021 0.000 0.982 352 Q CA 1.198 56.989 55.803 -0.021 0.000 0.850 352 Q CB -0.292 28.429 28.738 -0.028 0.000 0.901 352 Q HN 0.485 nan 8.270 nan 0.000 0.422 353 I N 1.098 121.655 120.570 -0.023 0.000 2.361 353 I HA -0.239 3.931 4.170 0.000 0.000 0.251 353 I C 2.161 178.269 176.117 -0.014 0.000 1.133 353 I CA 0.902 62.189 61.300 -0.022 0.000 1.413 353 I CB -0.269 37.718 38.000 -0.022 0.000 1.073 353 I HN 0.146 nan 8.210 nan 0.000 0.424 354 E N 1.266 121.459 120.200 -0.012 0.000 2.016 354 E HA -0.171 4.179 4.350 0.000 0.000 0.190 354 E C 1.796 178.392 176.600 -0.006 0.000 0.985 354 E CA 1.127 57.522 56.400 -0.008 0.000 0.802 354 E CB -0.411 29.284 29.700 -0.007 0.000 0.762 354 E HN 0.570 nan 8.360 nan 0.000 0.448 355 E N 1.218 121.413 120.200 -0.007 0.000 2.515 355 E HA 0.077 4.427 4.350 0.000 0.000 0.201 355 E C 0.236 176.833 176.600 -0.004 0.000 1.071 355 E CA 0.034 56.431 56.400 -0.005 0.000 0.880 355 E CB -0.021 29.675 29.700 -0.007 0.000 0.828 355 E HN 0.086 nan 8.360 nan 0.000 0.540 356 A N 1.789 124.605 122.820 -0.005 0.000 2.491 356 A HA 0.070 4.390 4.320 0.000 0.000 0.261 356 A C 1.020 178.607 177.584 0.005 0.000 1.101 356 A CA 0.055 52.090 52.037 -0.003 0.000 0.772 356 A CB -0.102 18.893 19.000 -0.009 0.000 1.043 356 A HN 0.192 nan 8.150 nan 0.000 0.501 357 T N -0.350 114.210 114.554 0.011 0.000 3.258 357 T HA 0.497 4.847 4.350 0.000 0.000 0.263 357 T C 0.137 174.852 174.700 0.025 0.000 0.983 357 T CA 0.225 62.334 62.100 0.015 0.000 0.907 357 T CB -0.577 68.299 68.868 0.014 0.000 1.096 357 T HN 1.084 nan 8.240 nan 0.000 0.556 358 S N -0.873 114.845 115.700 0.031 0.000 2.578 358 S HA 0.326 4.796 4.470 0.000 0.000 0.272 358 S C -0.621 174.011 174.600 0.052 0.000 1.145 358 S CA -0.618 57.613 58.200 0.051 0.000 0.835 358 S CB 1.310 64.559 63.200 0.081 0.000 1.104 358 S HN 0.096 nan 8.310 nan 0.000 0.458 359 D N 1.011 121.453 120.400 0.070 0.000 2.162 359 D HA -0.005 4.635 4.640 0.000 0.000 0.205 359 D C 1.374 177.723 176.300 0.082 0.000 0.964 359 D CA 1.112 55.150 54.000 0.062 0.000 0.847 359 D CB -0.228 40.610 40.800 0.063 0.000 0.988 359 D HN 0.607 nan 8.370 nan 0.000 0.480 360 Y N 2.584 122.886 120.300 0.003 0.000 2.049 360 Y HA -0.237 4.313 4.550 0.000 0.000 0.277 360 Y C 1.522 177.420 175.900 -0.004 0.000 1.143 360 Y CA 2.013 60.114 58.100 0.003 0.000 1.115 360 Y CB -0.482 37.981 38.460 0.006 0.000 0.975 360 Y HN -0.166 nan 8.280 nan 0.000 0.487 361 D N -0.395 120.006 120.400 0.001 0.000 2.228 361 D HA -0.195 4.445 4.640 0.000 0.000 0.203 361 D C 2.194 178.416 176.300 -0.129 0.000 0.988 361 D CA 1.548 55.487 54.000 -0.102 0.000 0.864 361 D CB -0.260 40.552 40.800 0.019 0.000 0.928 361 D HN 0.347 nan 8.370 nan 0.000 0.469 362 R N 0.394 120.847 120.500 -0.077 0.000 2.062 362 R HA -0.084 4.256 4.340 0.000 0.000 0.226 362 R C 1.652 177.897 176.300 -0.092 0.000 1.125 362 R CA 0.887 56.949 56.100 -0.063 0.000 0.966 362 R CB 0.185 30.471 30.300 -0.025 0.000 0.861 362 R HN 0.031 nan 8.270 nan 0.000 0.433 363 E N 0.845 120.976 120.200 -0.114 0.000 2.110 363 E HA -0.175 4.175 4.350 0.000 0.000 0.193 363 E C 1.796 178.299 176.600 -0.163 0.000 0.988 363 E CA 0.968 57.300 56.400 -0.114 0.000 0.804 363 E CB -0.034 29.610 29.700 -0.094 0.000 0.745 363 E HN 0.191 nan 8.360 nan 0.000 0.458 364 K N 0.618 120.850 120.400 -0.279 0.000 2.097 364 K HA -0.001 4.319 4.320 0.000 0.000 0.205 364 K C 2.378 178.883 176.600 -0.159 0.000 1.050 364 K CA 0.489 56.614 56.287 -0.269 0.000 0.938 364 K CB -0.403 31.847 32.500 -0.416 0.000 0.718 364 K HN 0.199 nan 8.250 nan 0.000 0.442 365 L N 0.938 122.081 121.223 -0.134 0.000 2.109 365 L HA -0.163 4.177 4.340 0.000 0.000 0.207 365 L C 2.543 179.374 176.870 -0.066 0.000 1.086 365 L CA 1.094 55.881 54.840 -0.088 0.000 0.760 365 L CB -0.339 41.677 42.059 -0.072 0.000 0.910 365 L HN 0.211 nan 8.230 nan 0.000 0.437 366 Q N -0.119 119.643 119.800 -0.064 0.000 2.084 366 Q HA -0.226 4.114 4.340 0.000 0.000 0.202 366 Q C 2.073 178.050 176.000 -0.038 0.000 0.978 366 Q CA 1.405 57.182 55.803 -0.043 0.000 0.844 366 Q CB -0.098 28.617 28.738 -0.037 0.000 0.898 366 Q HN 0.527 nan 8.270 nan 0.000 0.426 367 E N 0.502 120.673 120.200 -0.048 0.000 2.085 367 E HA -0.195 4.155 4.350 0.000 0.000 0.194 367 E C 2.088 178.672 176.600 -0.026 0.000 0.994 367 E CA 0.835 57.214 56.400 -0.034 0.000 0.801 367 E CB -0.003 29.671 29.700 -0.042 0.000 0.743 367 E HN 0.266 nan 8.360 nan 0.000 0.453 368 R N 0.360 120.836 120.500 -0.040 0.000 2.075 368 R HA -0.114 4.226 4.340 0.000 0.000 0.232 368 R C 2.737 179.022 176.300 -0.024 0.000 1.126 368 R CA 1.551 57.631 56.100 -0.034 0.000 0.963 368 R CB -0.609 29.662 30.300 -0.049 0.000 0.858 368 R HN 0.212 nan 8.270 nan 0.000 0.435 369 V N -1.236 118.663 119.914 -0.025 0.000 2.358 369 V HA -0.103 4.017 4.120 0.000 0.000 0.246 369 V C 2.399 178.487 176.094 -0.011 0.000 1.047 369 V CA 1.710 64.000 62.300 -0.018 0.000 1.035 369 V CB -1.143 30.669 31.823 -0.019 0.000 0.658 369 V HN 0.232 nan 8.190 nan 0.000 0.452 370 A N 0.669 123.483 122.820 -0.010 0.000 1.917 370 A HA -0.277 4.043 4.320 0.000 0.000 0.219 370 A C 2.342 179.927 177.584 0.003 0.000 1.182 370 A CA 2.635 54.670 52.037 -0.004 0.000 0.633 370 A CB -0.675 18.323 19.000 -0.003 0.000 0.819 370 A HN 0.659 nan 8.150 nan 0.000 0.448 371 K N -1.330 119.073 120.400 0.006 0.000 2.001 371 K HA -0.056 4.264 4.320 0.000 0.000 0.208 371 K C 1.939 178.547 176.600 0.014 0.000 1.048 371 K CA 1.299 57.596 56.287 0.018 0.000 0.932 371 K CB -0.345 32.170 32.500 0.026 0.000 0.715 371 K HN 0.328 nan 8.250 nan 0.000 0.437 372 L N 0.733 121.959 121.223 0.004 0.000 2.046 372 L HA -0.110 4.230 4.340 0.000 0.000 0.208 372 L C 2.099 178.969 176.870 0.001 0.000 1.077 372 L CA 1.775 56.616 54.840 0.002 0.000 0.747 372 L CB -0.626 41.428 42.059 -0.007 0.000 0.896 372 L HN 0.157 nan 8.230 nan 0.000 0.432 373 A N -1.483 121.336 122.820 -0.001 0.000 1.943 373 A HA 0.148 4.468 4.320 0.000 0.000 0.213 373 A C 2.281 179.865 177.584 0.001 0.000 1.181 373 A CA 0.865 52.901 52.037 -0.001 0.000 0.653 373 A CB -1.129 17.868 19.000 -0.004 0.000 0.833 373 A HN 0.433 nan 8.150 nan 0.000 0.451 374 G N -0.622 108.179 108.800 0.002 0.000 2.432 374 G HA2 0.316 4.276 3.960 0.000 0.000 0.219 374 G HA3 0.316 4.276 3.960 0.000 0.000 0.219 374 G C 1.216 176.119 174.900 0.004 0.000 1.135 374 G CA 0.858 45.959 45.100 0.003 0.000 0.767 374 G HN 1.651 nan 8.290 nan 0.000 0.550 375 G N -1.712 107.093 108.800 0.007 0.000 2.645 375 G HA2 -0.022 3.938 3.960 0.000 0.000 0.239 375 G HA3 -0.022 3.938 3.960 0.000 0.000 0.239 375 G C -0.610 174.294 174.900 0.008 0.000 1.331 375 G CA -0.166 44.938 45.100 0.007 0.000 0.890 375 G HN 1.076 nan 8.290 nan 0.000 0.572 376 V N 0.260 120.176 119.914 0.004 0.000 2.668 376 V HA 0.702 4.822 4.120 0.000 0.000 0.304 376 V C 0.623 176.714 176.094 -0.005 0.000 1.071 376 V CA -0.059 62.241 62.300 0.001 0.000 0.894 376 V CB 1.444 33.269 31.823 0.003 0.000 1.008 376 V HN 2.125 nan 8.190 nan 0.000 0.425 377 A N 4.677 127.492 122.820 -0.008 0.000 2.354 377 A HA 0.697 5.017 4.320 0.000 0.000 0.281 377 A C -0.411 177.164 177.584 -0.015 0.000 1.174 377 A CA -0.244 51.786 52.037 -0.012 0.000 0.828 377 A CB 0.540 19.532 19.000 -0.014 0.000 1.099 377 A HN 0.768 nan 8.150 nan 0.000 0.516 378 V N 5.254 125.160 119.914 -0.014 0.000 2.334 378 V HA 0.273 4.393 4.120 0.000 0.000 0.281 378 V C -0.068 176.015 176.094 -0.017 0.000 1.016 378 V CA -0.134 62.156 62.300 -0.016 0.000 0.832 378 V CB 0.919 32.734 31.823 -0.013 0.000 0.999 378 V HN 0.737 nan 8.190 nan 0.000 0.439 379 I N 5.261 125.818 120.570 -0.021 0.000 2.315 379 I HA 0.370 4.540 4.170 0.000 0.000 0.291 379 I C 0.279 176.385 176.117 -0.018 0.000 1.006 379 I CA -0.379 60.909 61.300 -0.021 0.000 1.265 379 I CB 1.053 39.037 38.000 -0.026 0.000 1.387 379 I HN 0.483 nan 8.210 nan 0.000 0.475 380 K N 6.143 126.534 120.400 -0.015 0.000 2.347 380 K HA 0.376 4.696 4.320 0.000 0.000 0.262 380 K C -0.654 175.939 176.600 -0.012 0.000 1.052 380 K CA -0.637 55.642 56.287 -0.013 0.000 0.946 380 K CB 1.660 34.154 32.500 -0.011 0.000 1.220 380 K HN 0.337 nan 8.250 nan 0.000 0.450 381 V N 2.996 122.903 119.914 -0.012 0.000 2.720 381 V HA -0.076 4.044 4.120 0.000 0.000 0.307 381 V C 1.516 177.605 176.094 -0.009 0.000 1.071 381 V CA 0.398 62.692 62.300 -0.011 0.000 1.199 381 V CB 0.496 32.313 31.823 -0.010 0.000 0.900 381 V HN 0.952 nan 8.190 nan 0.000 0.494 382 G N 3.031 111.827 108.800 -0.008 0.000 2.413 382 G HA2 0.429 4.389 3.960 0.000 0.000 0.300 382 G HA3 0.429 4.389 3.960 0.000 0.000 0.300 382 G C 0.305 175.202 174.900 -0.006 0.000 1.370 382 G CA 0.524 45.620 45.100 -0.007 0.000 1.110 382 G HN 1.273 nan 8.290 nan 0.000 0.596 383 A N -2.959 119.858 122.820 -0.005 0.000 3.117 383 A HA 0.851 5.171 4.320 0.000 0.000 0.158 383 A C 0.424 178.006 177.584 -0.004 0.000 1.138 383 A CA 0.951 52.985 52.037 -0.004 0.000 2.059 383 A CB -0.420 18.577 19.000 -0.004 0.000 2.607 383 A HN 2.626 nan 8.150 nan 0.000 1.059 384 A N -0.469 122.349 122.820 -0.003 0.000 2.419 384 A HA 0.546 4.866 4.320 0.000 0.000 0.262 384 A C 1.029 178.612 177.584 -0.002 0.000 1.352 384 A CA 1.286 53.322 52.037 -0.003 0.000 0.709 384 A CB -2.622 16.376 19.000 -0.003 0.000 1.150 384 A HN 3.516 nan 8.150 nan 0.000 0.329 385 T N -1.595 112.958 114.554 -0.002 0.000 0.552 385 T HA -0.083 4.267 4.350 0.000 0.000 0.773 385 T C 0.319 175.018 174.700 -0.002 0.000 0.992 385 T CA 1.490 63.589 62.100 -0.002 0.000 4.070 385 T CB -1.215 67.652 68.868 -0.001 0.000 2.299 385 T HN 1.990 nan 8.240 nan 0.000 0.397 386 E N 1.470 121.670 120.200 -0.001 0.000 2.171 386 E HA -0.136 4.214 4.350 0.000 0.000 0.197 386 E C 1.978 178.578 176.600 -0.000 0.000 0.997 386 E CA 2.090 58.490 56.400 -0.001 0.000 0.810 386 E CB -0.099 29.600 29.700 -0.001 0.000 0.738 386 E HN 0.677 nan 8.360 nan 0.000 0.467 387 V N 1.012 120.926 119.914 -0.000 0.000 2.283 387 V HA -0.224 3.896 4.120 0.000 0.000 0.243 387 V C 2.106 178.200 176.094 -0.000 0.000 1.039 387 V CA 2.100 64.400 62.300 0.000 0.000 1.016 387 V CB -0.618 31.205 31.823 0.000 0.000 0.650 387 V HN 0.256 nan 8.190 nan 0.000 0.449 388 E N -0.209 119.991 120.200 -0.001 0.000 2.118 388 E HA -0.251 4.099 4.350 0.000 0.000 0.195 388 E C 2.196 178.796 176.600 -0.002 0.000 0.992 388 E CA 1.453 57.853 56.400 -0.001 0.000 0.804 388 E CB -0.255 29.444 29.700 -0.002 0.000 0.741 388 E HN 0.420 nan 8.360 nan 0.000 0.458 389 M N 1.089 120.688 119.600 -0.002 0.000 2.080 389 M HA -0.180 4.300 4.480 0.000 0.000 0.260 389 M C 1.693 177.992 176.300 -0.002 0.000 1.068 389 M CA 1.567 56.865 55.300 -0.003 0.000 1.109 389 M CB -0.147 32.451 32.600 -0.003 0.000 1.342 389 M HN -0.103 nan 8.290 nan 0.000 0.405 390 K N 0.110 120.509 120.400 -0.000 0.000 2.148 390 K HA -0.136 4.184 4.320 0.000 0.000 0.204 390 K C 1.870 178.471 176.600 0.002 0.000 1.050 390 K CA 1.031 57.319 56.287 0.001 0.000 0.942 390 K CB -0.585 31.916 32.500 0.002 0.000 0.724 390 K HN 0.506 nan 8.250 nan 0.000 0.446 391 E N 1.782 121.983 120.200 0.001 0.000 2.107 391 E HA -0.173 4.177 4.350 0.000 0.000 0.191 391 E C 1.909 178.510 176.600 0.001 0.000 0.982 391 E CA 1.091 57.492 56.400 0.002 0.000 0.809 391 E CB 0.143 29.843 29.700 0.001 0.000 0.756 391 E HN 0.205 nan 8.360 nan 0.000 0.459 392 K N 1.017 121.416 120.400 -0.001 0.000 2.062 392 K HA -0.138 4.182 4.320 0.000 0.000 0.205 392 K C 2.362 178.960 176.600 -0.004 0.000 1.051 392 K CA 1.241 57.526 56.287 -0.003 0.000 0.941 392 K CB -0.085 32.412 32.500 -0.004 0.000 0.719 392 K HN -0.073 nan 8.250 nan 0.000 0.440 393 K N 0.245 120.643 120.400 -0.003 0.000 2.152 393 K HA -0.165 4.155 4.320 0.000 0.000 0.206 393 K C 1.853 178.452 176.600 -0.002 0.000 1.048 393 K CA 1.305 57.589 56.287 -0.005 0.000 0.933 393 K CB -0.142 32.356 32.500 -0.003 0.000 0.721 393 K HN 0.243 nan 8.250 nan 0.000 0.447 394 A N 1.388 124.211 122.820 0.004 0.000 1.873 394 A HA -0.120 4.200 4.320 0.000 0.000 0.215 394 A C 2.059 179.650 177.584 0.013 0.000 1.186 394 A CA 1.254 53.298 52.037 0.012 0.000 0.616 394 A CB -0.417 18.590 19.000 0.013 0.000 0.823 394 A HN 0.319 nan 8.150 nan 0.000 0.442 395 R N -0.553 119.951 120.500 0.006 0.000 2.105 395 R HA -0.092 4.248 4.340 0.000 0.000 0.239 395 R C 2.002 178.301 176.300 -0.000 0.000 1.135 395 R CA 1.432 57.535 56.100 0.006 0.000 0.967 395 R CB -0.577 29.724 30.300 0.001 0.000 0.861 395 R HN 0.403 nan 8.270 nan 0.000 0.442 396 V N 0.994 120.903 119.914 -0.009 0.000 2.307 396 V HA -0.232 3.888 4.120 0.000 0.000 0.245 396 V C 2.067 178.136 176.094 -0.042 0.000 1.045 396 V CA 1.810 64.097 62.300 -0.023 0.000 1.024 396 V CB -0.427 31.380 31.823 -0.025 0.000 0.651 396 V HN 0.318 nan 8.190 nan 0.000 0.449 397 E N -0.154 120.025 120.200 -0.036 0.000 2.085 397 E HA -0.241 4.109 4.350 0.000 0.000 0.194 397 E C 2.003 178.576 176.600 -0.045 0.000 0.994 397 E CA 1.613 57.971 56.400 -0.069 0.000 0.801 397 E CB -0.091 29.606 29.700 -0.006 0.000 0.743 397 E HN 0.616 nan 8.360 nan 0.000 0.453 398 D N -0.181 120.250 120.400 0.050 0.000 2.084 398 D HA -0.124 4.516 4.640 0.000 0.000 0.196 398 D C 1.931 178.269 176.300 0.063 0.000 0.985 398 D CA 1.237 55.305 54.000 0.115 0.000 0.826 398 D CB -0.322 40.523 40.800 0.076 0.000 0.978 398 D HN 0.179 nan 8.370 nan 0.000 0.456 399 A N 1.109 123.939 122.820 0.017 0.000 1.958 399 A HA -0.203 4.117 4.320 0.000 0.000 0.221 399 A C 2.182 179.758 177.584 -0.013 0.000 1.178 399 A CA 1.189 53.229 52.037 0.005 0.000 0.642 399 A CB -0.734 18.262 19.000 -0.007 0.000 0.816 399 A HN 0.224 nan 8.150 nan 0.000 0.453 400 L N -0.770 120.413 121.223 -0.066 0.000 1.994 400 L HA -0.167 4.173 4.340 0.000 0.000 0.208 400 L C 2.427 179.239 176.870 -0.096 0.000 1.071 400 L CA 2.272 57.041 54.840 -0.119 0.000 0.745 400 L CB -0.825 41.104 42.059 -0.217 0.000 0.892 400 L HN 0.526 nan 8.230 nan 0.000 0.431 401 H N -0.468 118.600 119.070 -0.003 0.000 2.352 401 H HA -0.077 4.479 4.556 0.000 0.000 0.299 401 H C 2.113 177.441 175.328 0.001 0.000 1.097 401 H CA 1.469 57.516 56.048 -0.002 0.000 1.311 401 H CB -0.480 29.279 29.762 -0.004 0.000 1.377 401 H HN 0.510 nan 8.280 nan 0.000 0.504 402 A N 0.499 123.393 122.820 0.123 0.000 1.877 402 A HA -0.151 4.169 4.320 0.000 0.000 0.216 402 A C 2.652 180.262 177.584 0.044 0.000 1.186 402 A CA 2.122 54.200 52.037 0.069 0.000 0.620 402 A CB -0.870 18.159 19.000 0.048 0.000 0.822 402 A HN 0.409 nan 8.150 nan 0.000 0.443 403 T N -0.621 113.949 114.554 0.028 0.000 2.746 403 T HA -0.136 4.214 4.350 0.000 0.000 0.267 403 T C 2.092 176.803 174.700 0.018 0.000 1.039 403 T CA 1.658 63.767 62.100 0.015 0.000 1.142 403 T CB -0.231 68.637 68.868 -0.000 0.000 0.866 403 T HN 0.476 nan 8.240 nan 0.000 0.444 404 R N 1.788 122.301 120.500 0.023 0.000 2.091 404 R HA 0.016 4.356 4.340 0.000 0.000 0.238 404 R C 2.369 178.690 176.300 0.036 0.000 1.136 404 R CA 1.808 57.925 56.100 0.028 0.000 0.959 404 R CB -0.948 29.376 30.300 0.040 0.000 0.856 404 R HN 0.365 nan 8.270 nan 0.000 0.437 405 A N -0.073 122.775 122.820 0.047 0.000 1.898 405 A HA 0.046 4.366 4.320 0.000 0.000 0.216 405 A C 2.336 179.938 177.584 0.030 0.000 1.181 405 A CA 1.527 53.588 52.037 0.041 0.000 0.620 405 A CB -0.946 18.081 19.000 0.046 0.000 0.819 405 A HN 0.471 nan 8.150 nan 0.000 0.442 406 A N -0.603 122.233 122.820 0.027 0.000 1.972 406 A HA 0.017 4.337 4.320 0.000 0.000 0.219 406 A C 2.128 179.722 177.584 0.017 0.000 1.169 406 A CA 1.693 53.743 52.037 0.020 0.000 0.635 406 A CB -0.721 18.289 19.000 0.018 0.000 0.810 406 A HN 0.370 nan 8.150 nan 0.000 0.446 407 V N -0.164 119.761 119.914 0.017 0.000 2.667 407 V HA -0.193 3.927 4.120 0.000 0.000 0.252 407 V C 2.279 178.382 176.094 0.015 0.000 1.065 407 V CA 2.052 64.360 62.300 0.014 0.000 1.083 407 V CB -0.582 31.248 31.823 0.012 0.000 0.692 407 V HN 0.636 nan 8.190 nan 0.000 0.468 408 E N -0.193 120.018 120.200 0.019 0.000 2.122 408 E HA -0.081 4.269 4.350 0.000 0.000 0.190 408 E C 1.414 178.024 176.600 0.018 0.000 0.977 408 E CA 0.997 57.409 56.400 0.019 0.000 0.820 408 E CB 0.143 29.858 29.700 0.024 0.000 0.770 408 E HN 0.646 nan 8.360 nan 0.000 0.462 409 E N -0.700 119.511 120.200 0.018 0.000 2.743 409 E HA 0.225 4.575 4.350 0.000 0.000 0.222 409 E C 0.197 176.806 176.600 0.015 0.000 0.959 409 E CA 0.085 56.495 56.400 0.016 0.000 1.198 409 E CB 1.705 31.415 29.700 0.017 0.000 1.100 409 E HN 0.219 nan 8.360 nan 0.000 0.518 410 G N 1.293 110.102 108.800 0.015 0.000 2.681 410 G HA2 -0.211 3.749 3.960 0.000 0.000 0.220 410 G HA3 -0.211 3.749 3.960 0.000 0.000 0.220 410 G C -0.285 174.624 174.900 0.015 0.000 1.353 410 G CA -0.423 44.685 45.100 0.014 0.000 0.872 410 G HN 0.557 nan 8.290 nan 0.000 0.557 411 V N -2.744 117.179 119.914 0.015 0.000 3.102 411 V HA 0.992 5.112 4.120 0.000 0.000 0.312 411 V C 0.458 176.561 176.094 0.015 0.000 1.135 411 V CA 0.141 62.450 62.300 0.015 0.000 1.022 411 V CB 1.436 33.266 31.823 0.013 0.000 1.056 411 V HN 2.476 nan 8.190 nan 0.000 0.436 412 V N -1.064 118.860 119.914 0.015 0.000 3.159 412 V HA 0.986 5.106 4.120 0.000 0.000 0.308 412 V C 0.406 176.509 176.094 0.015 0.000 1.190 412 V CA -0.749 61.562 62.300 0.017 0.000 1.037 412 V CB 1.266 33.100 31.823 0.018 0.000 1.060 412 V HN 2.122 nan 8.190 nan 0.000 0.437 413 A N 1.294 124.124 122.820 0.017 0.000 2.537 413 A HA 0.600 4.920 4.320 0.000 0.000 0.260 413 A C 0.972 178.560 177.584 0.007 0.000 1.082 413 A CA 0.719 52.763 52.037 0.012 0.000 0.765 413 A CB -0.792 18.218 19.000 0.018 0.000 1.019 413 A HN 1.912 nan 8.150 nan 0.000 0.507 414 G N 1.537 110.336 108.800 -0.001 0.000 2.514 414 G HA2 0.478 4.438 3.960 0.000 0.000 0.245 414 G HA3 0.478 4.438 3.960 0.000 0.000 0.245 414 G C 1.250 176.146 174.900 -0.006 0.000 1.488 414 G CA 0.001 45.099 45.100 -0.002 0.000 1.063 414 G HN 2.203 nan 8.290 nan 0.000 0.557 415 G N -2.038 106.757 108.800 -0.008 0.000 2.187 415 G HA2 0.189 4.149 3.960 0.000 0.000 0.261 415 G HA3 0.189 4.149 3.960 0.000 0.000 0.261 415 G C 1.571 176.477 174.900 0.009 0.000 1.000 415 G CA 1.291 46.388 45.100 -0.005 0.000 0.718 415 G HN 2.467 nan 8.290 nan 0.000 0.519 416 G N -2.346 106.459 108.800 0.009 0.000 2.184 416 G HA2 -0.118 3.842 3.960 0.000 0.000 0.264 416 G HA3 -0.118 3.842 3.960 0.000 0.000 0.264 416 G C 1.887 176.796 174.900 0.016 0.000 0.975 416 G CA 1.949 47.057 45.100 0.013 0.000 0.642 416 G HN 2.229 nan 8.290 nan 0.000 0.536 417 V N -1.732 118.191 119.914 0.014 0.000 2.719 417 V HA 0.414 4.534 4.120 0.000 0.000 0.252 417 V C 2.723 178.832 176.094 0.026 0.000 1.065 417 V CA 1.962 64.274 62.300 0.020 0.000 1.086 417 V CB -0.541 31.288 31.823 0.010 0.000 0.700 417 V HN 1.387 nan 8.190 nan 0.000 0.467 418 A N 0.743 123.576 122.820 0.022 0.000 1.877 418 A HA -0.058 4.262 4.320 0.000 0.000 0.216 418 A C 2.240 179.839 177.584 0.024 0.000 1.186 418 A CA 2.192 54.243 52.037 0.025 0.000 0.620 418 A CB -0.713 18.299 19.000 0.020 0.000 0.822 418 A HN 0.581 nan 8.150 nan 0.000 0.443 419 L N -0.922 120.313 121.223 0.021 0.000 2.017 419 L HA -0.159 4.181 4.340 0.000 0.000 0.208 419 L C 2.547 179.430 176.870 0.021 0.000 1.073 419 L CA 1.611 56.462 54.840 0.019 0.000 0.745 419 L CB -0.330 41.739 42.059 0.017 0.000 0.894 419 L HN 0.529 nan 8.230 nan 0.000 0.432 420 I N -0.442 120.142 120.570 0.024 0.000 2.394 420 I HA -0.299 3.871 4.170 0.000 0.000 0.251 420 I C 2.738 178.876 176.117 0.034 0.000 1.136 420 I CA 0.952 62.268 61.300 0.027 0.000 1.425 420 I CB 0.017 38.034 38.000 0.028 0.000 1.079 420 I HN 0.191 nan 8.210 nan 0.000 0.425 421 R N 0.360 120.884 120.500 0.040 0.000 2.066 421 R HA -0.100 4.240 4.340 0.000 0.000 0.232 421 R C 2.028 178.350 176.300 0.037 0.000 1.131 421 R CA 1.995 58.124 56.100 0.048 0.000 0.955 421 R CB -1.041 29.292 30.300 0.055 0.000 0.851 421 R HN 0.249 nan 8.270 nan 0.000 0.432 422 V N 0.847 120.779 119.914 0.029 0.000 2.407 422 V HA -0.196 3.924 4.120 0.000 0.000 0.248 422 V C 2.238 178.344 176.094 0.020 0.000 1.055 422 V CA 1.990 64.303 62.300 0.023 0.000 1.049 422 V CB -0.651 31.183 31.823 0.019 0.000 0.662 422 V HN 0.580 nan 8.190 nan 0.000 0.455 423 A N 0.126 122.958 122.820 0.020 0.000 1.930 423 A HA -0.176 4.144 4.320 0.000 0.000 0.217 423 A C 2.515 180.110 177.584 0.018 0.000 1.175 423 A CA 1.921 53.968 52.037 0.017 0.000 0.627 423 A CB -0.752 18.257 19.000 0.016 0.000 0.815 423 A HN 0.708 nan 8.150 nan 0.000 0.443 424 S N 0.121 115.835 115.700 0.024 0.000 2.440 424 S HA -0.172 4.298 4.470 0.000 0.000 0.238 424 S C 1.595 176.207 174.600 0.021 0.000 1.010 424 S CA 1.567 59.781 58.200 0.025 0.000 0.972 424 S CB -0.374 62.847 63.200 0.035 0.000 0.774 424 S HN 0.634 nan 8.310 nan 0.000 0.501 425 K N 0.542 120.954 120.400 0.020 0.000 2.361 425 K HA 0.282 4.602 4.320 0.000 0.000 0.196 425 K C 0.890 177.497 176.600 0.012 0.000 1.039 425 K CA 0.330 56.627 56.287 0.016 0.000 1.001 425 K CB -0.094 32.416 32.500 0.017 0.000 0.795 425 K HN 0.425 nan 8.250 nan 0.000 0.495 426 L N 0.707 121.937 121.223 0.011 0.000 2.728 426 L HA 0.222 4.562 4.340 0.000 0.000 0.235 426 L C 1.715 178.590 176.870 0.008 0.000 1.197 426 L CA -0.314 54.531 54.840 0.009 0.000 0.992 426 L CB -0.020 42.044 42.059 0.008 0.000 1.263 426 L HN 0.048 nan 8.230 nan 0.000 0.484 427 A N -0.129 122.696 122.820 0.008 0.000 2.076 427 A HA -0.172 4.148 4.320 0.000 0.000 0.220 427 A C 1.552 179.140 177.584 0.005 0.000 1.160 427 A CA 1.532 53.574 52.037 0.007 0.000 0.653 427 A CB -0.164 18.841 19.000 0.008 0.000 0.801 427 A HN 0.387 nan 8.150 nan 0.000 0.455 428 D N -1.260 119.143 120.400 0.005 0.000 2.369 428 D HA 0.159 4.799 4.640 0.000 0.000 0.211 428 D C 0.163 176.465 176.300 0.003 0.000 1.077 428 D CA -0.302 53.700 54.000 0.004 0.000 0.842 428 D CB 0.006 40.808 40.800 0.003 0.000 0.947 428 D HN 0.341 nan 8.370 nan 0.000 0.509 429 L N 2.134 123.359 121.223 0.004 0.000 2.540 429 L HA 0.052 4.392 4.340 0.000 0.000 0.276 429 L C 0.122 176.993 176.870 0.002 0.000 1.212 429 L CA 0.644 55.486 54.840 0.003 0.000 0.893 429 L CB 0.117 42.178 42.059 0.003 0.000 1.138 429 L HN -0.216 nan 8.230 nan 0.000 0.491 430 R N 3.275 123.776 120.500 0.002 0.000 2.867 430 R HA 0.683 5.023 4.340 0.000 0.000 0.268 430 R C -0.116 176.184 176.300 0.001 0.000 1.014 430 R CA -0.303 55.798 56.100 0.001 0.000 0.946 430 R CB 1.486 31.787 30.300 0.001 0.000 1.208 430 R HN 0.802 nan 8.270 nan 0.000 0.477 431 G N -0.287 108.514 108.800 0.001 0.000 2.890 431 G HA2 0.199 4.159 3.960 0.000 0.000 0.189 431 G HA3 0.199 4.159 3.960 0.000 0.000 0.189 431 G C 0.061 174.961 174.900 0.001 0.000 1.342 431 G CA -0.185 44.916 45.100 0.001 0.000 1.026 431 G HN 0.422 nan 8.290 nan 0.000 0.579 432 Q N -0.562 119.238 119.800 0.000 0.000 2.402 432 Q HA 0.153 4.493 4.340 0.000 0.000 0.206 432 Q C -0.055 175.945 176.000 0.001 0.000 0.919 432 Q CA 0.563 56.366 55.803 0.000 0.000 0.923 432 Q CB 0.257 28.995 28.738 0.000 0.000 1.048 432 Q HN 0.624 nan 8.270 nan 0.000 0.515 433 N N -2.076 116.624 118.700 0.001 0.000 3.039 433 N HA 0.079 4.819 4.740 0.000 0.000 0.257 433 N C -0.094 175.416 175.510 0.001 0.000 1.497 433 N CA -0.605 52.445 53.050 0.001 0.000 0.861 433 N CB 0.471 38.958 38.487 0.001 0.000 1.479 433 N HN -0.361 nan 8.380 nan 0.000 0.547 434 E N -0.217 119.983 120.200 0.001 0.000 2.153 434 E HA -0.130 4.220 4.350 0.000 0.000 0.194 434 E C 0.287 176.888 176.600 0.001 0.000 0.988 434 E CA 1.116 57.516 56.400 0.001 0.000 0.811 434 E CB -0.265 29.436 29.700 0.001 0.000 0.746 434 E HN 0.564 nan 8.360 nan 0.000 0.466 435 D N 0.481 120.882 120.400 0.001 0.000 2.097 435 D HA -0.147 4.493 4.640 0.000 0.000 0.195 435 D C 1.961 178.262 176.300 0.002 0.000 0.989 435 D CA 0.870 54.871 54.000 0.002 0.000 0.827 435 D CB -0.157 40.644 40.800 0.002 0.000 0.966 435 D HN 0.273 nan 8.370 nan 0.000 0.456 436 Q N 0.111 119.912 119.800 0.002 0.000 2.170 436 Q HA -0.105 4.235 4.340 0.000 0.000 0.203 436 Q C 1.813 177.814 176.000 0.002 0.000 0.976 436 Q CA 0.716 56.520 55.803 0.002 0.000 0.858 436 Q CB 0.072 28.811 28.738 0.001 0.000 0.907 436 Q HN 0.241 nan 8.270 nan 0.000 0.433 437 N N -0.216 118.485 118.700 0.002 0.000 2.142 437 N HA -0.118 4.622 4.740 0.000 0.000 0.186 437 N C 1.824 177.335 175.510 0.002 0.000 1.023 437 N CA 0.974 54.025 53.050 0.002 0.000 0.852 437 N CB -0.213 38.275 38.487 0.002 0.000 0.998 437 N HN 0.059 nan 8.380 nan 0.000 0.424 438 V N 1.044 120.960 119.914 0.002 0.000 2.343 438 V HA -0.153 3.967 4.120 0.000 0.000 0.247 438 V C 2.481 178.577 176.094 0.003 0.000 1.051 438 V CA 2.003 64.305 62.300 0.003 0.000 1.036 438 V CB -1.259 30.566 31.823 0.003 0.000 0.654 438 V HN 0.326 nan 8.190 nan 0.000 0.451 439 G N 0.062 108.864 108.800 0.003 0.000 2.446 439 G HA2 -0.254 3.706 3.960 0.000 0.000 0.217 439 G HA3 -0.254 3.706 3.960 0.000 0.000 0.217 439 G C 1.569 176.471 174.900 0.003 0.000 1.168 439 G CA 1.212 46.314 45.100 0.003 0.000 0.771 439 G HN 0.486 nan 8.290 nan 0.000 0.551 440 I N 0.322 120.893 120.570 0.003 0.000 2.208 440 I HA -0.161 4.009 4.170 0.000 0.000 0.245 440 I C 2.698 178.817 176.117 0.004 0.000 1.097 440 I CA 1.111 62.412 61.300 0.003 0.000 1.363 440 I CB -0.149 37.853 38.000 0.002 0.000 1.051 440 I HN 0.039 nan 8.210 nan 0.000 0.413 441 K N 0.495 120.897 120.400 0.004 0.000 2.148 441 K HA -0.053 4.267 4.320 0.000 0.000 0.204 441 K C 2.119 178.722 176.600 0.005 0.000 1.050 441 K CA 0.905 57.195 56.287 0.004 0.000 0.942 441 K CB -0.556 31.947 32.500 0.004 0.000 0.724 441 K HN 0.221 nan 8.250 nan 0.000 0.446 442 V N 1.572 121.488 119.914 0.004 0.000 2.343 442 V HA -0.236 3.884 4.120 0.000 0.000 0.247 442 V C 2.454 178.551 176.094 0.006 0.000 1.051 442 V CA 1.992 64.295 62.300 0.005 0.000 1.036 442 V CB -0.710 31.116 31.823 0.005 0.000 0.654 442 V HN 0.278 nan 8.190 nan 0.000 0.451 443 A N -0.263 122.560 122.820 0.005 0.000 1.873 443 A HA -0.117 4.203 4.320 0.000 0.000 0.215 443 A C 2.189 179.777 177.584 0.007 0.000 1.186 443 A CA 1.628 53.669 52.037 0.006 0.000 0.616 443 A CB -0.543 18.459 19.000 0.004 0.000 0.823 443 A HN 0.484 nan 8.150 nan 0.000 0.442 444 L N -1.150 120.077 121.223 0.006 0.000 2.083 444 L HA -0.184 4.156 4.340 0.000 0.000 0.209 444 L C 2.815 179.690 176.870 0.008 0.000 1.083 444 L CA 1.717 56.562 54.840 0.008 0.000 0.752 444 L CB -0.510 41.553 42.059 0.008 0.000 0.899 444 L HN 0.445 nan 8.230 nan 0.000 0.433 445 R N 0.261 120.765 120.500 0.007 0.000 2.075 445 R HA -0.144 4.196 4.340 0.000 0.000 0.232 445 R C 2.388 178.692 176.300 0.007 0.000 1.126 445 R CA 1.347 57.450 56.100 0.007 0.000 0.963 445 R CB -0.202 30.101 30.300 0.005 0.000 0.858 445 R HN 0.335 nan 8.270 nan 0.000 0.435 446 A N 0.744 123.569 122.820 0.007 0.000 1.933 446 A HA -0.163 4.157 4.320 0.000 0.000 0.218 446 A C 2.078 179.668 177.584 0.009 0.000 1.175 446 A CA 1.412 53.454 52.037 0.008 0.000 0.628 446 A CB -0.429 18.576 19.000 0.009 0.000 0.814 446 A HN 0.346 nan 8.150 nan 0.000 0.444 447 M N -0.498 119.108 119.600 0.010 0.000 2.623 447 M HA -0.150 4.330 4.480 0.000 0.000 0.258 447 M C 1.259 177.566 176.300 0.012 0.000 1.067 447 M CA 1.111 56.418 55.300 0.012 0.000 1.068 447 M CB -0.274 32.333 32.600 0.012 0.000 1.409 447 M HN 0.484 nan 8.290 nan 0.000 0.504 448 E N -0.271 119.935 120.200 0.010 0.000 2.452 448 E HA 0.081 4.431 4.350 0.000 0.000 0.197 448 E C 2.018 178.621 176.600 0.005 0.000 1.022 448 E CA 0.290 56.695 56.400 0.008 0.000 0.890 448 E CB 0.155 29.859 29.700 0.006 0.000 0.918 448 E HN 0.477 nan 8.360 nan 0.000 0.496 449 A N 2.481 125.304 122.820 0.006 0.000 1.873 449 A HA -0.152 4.168 4.320 0.000 0.000 0.218 449 A C -0.321 177.266 177.584 0.004 0.000 1.193 449 A CA 1.419 53.458 52.037 0.004 0.000 0.629 449 A CB -1.474 17.529 19.000 0.006 0.000 0.826 449 A HN 0.119 nan 8.150 nan 0.000 0.447 450 P HA -0.176 nan 4.420 nan 0.000 0.214 450 P C 1.847 179.151 177.300 0.007 0.000 1.163 450 P CA 0.944 64.049 63.100 0.008 0.000 0.889 450 P CB -0.134 31.572 31.700 0.011 0.000 0.790 451 L N -0.750 120.477 121.223 0.007 0.000 1.989 451 L HA -0.218 4.122 4.340 0.000 0.000 0.211 451 L C 2.489 179.354 176.870 -0.007 0.000 1.071 451 L CA 1.910 56.753 54.840 0.006 0.000 0.749 451 L CB -0.426 41.635 42.059 0.004 0.000 0.890 451 L HN -0.103 nan 8.230 nan 0.000 0.431 452 R N -0.669 119.823 120.500 -0.013 0.000 2.103 452 R HA -0.279 4.061 4.340 0.000 0.000 0.242 452 R C 2.244 178.534 176.300 -0.015 0.000 1.142 452 R CA 2.007 58.094 56.100 -0.022 0.000 0.960 452 R CB -0.360 29.931 30.300 -0.015 0.000 0.858 452 R HN 0.375 nan 8.270 nan 0.000 0.439 453 Q N 0.977 120.774 119.800 -0.005 0.000 2.084 453 Q HA -0.087 4.253 4.340 0.000 0.000 0.202 453 Q C 1.864 177.866 176.000 0.003 0.000 0.978 453 Q CA 1.560 57.362 55.803 -0.001 0.000 0.844 453 Q CB -0.167 28.572 28.738 0.002 0.000 0.898 453 Q HN 0.360 nan 8.270 nan 0.000 0.426 454 I N -0.658 119.918 120.570 0.009 0.000 2.163 454 I HA -0.287 3.883 4.170 0.000 0.000 0.243 454 I C 2.034 178.170 176.117 0.032 0.000 1.085 454 I CA 1.054 62.367 61.300 0.022 0.000 1.347 454 I CB -0.314 37.705 38.000 0.032 0.000 1.044 454 I HN 0.079 nan 8.210 nan 0.000 0.408 455 V N 0.568 120.491 119.914 0.014 0.000 2.343 455 V HA -0.268 3.852 4.120 0.000 0.000 0.247 455 V C 2.366 178.456 176.094 -0.007 0.000 1.051 455 V CA 1.582 63.877 62.300 -0.009 0.000 1.036 455 V CB -0.499 31.255 31.823 -0.115 0.000 0.654 455 V HN 0.355 nan 8.190 nan 0.000 0.451 456 L N 0.783 122.000 121.223 -0.011 0.000 2.046 456 L HA -0.146 4.194 4.340 0.000 0.000 0.208 456 L C 2.191 179.063 176.870 0.003 0.000 1.077 456 L CA 1.926 56.762 54.840 -0.007 0.000 0.747 456 L CB -0.847 41.208 42.059 -0.007 0.000 0.896 456 L HN 0.307 nan 8.230 nan 0.000 0.432 457 N N -1.084 117.620 118.700 0.008 0.000 2.289 457 N HA -0.167 4.573 4.740 0.000 0.000 0.184 457 N C 1.731 177.250 175.510 0.016 0.000 1.016 457 N CA 1.574 54.630 53.050 0.010 0.000 0.872 457 N CB -0.690 37.803 38.487 0.009 0.000 0.973 457 N HN 0.430 nan 8.380 nan 0.000 0.433 458 C N -0.521 118.795 119.300 0.027 0.000 2.500 458 C HA 0.218 4.678 4.460 0.000 0.000 0.273 458 C C 1.641 176.649 174.990 0.031 0.000 1.428 458 C CA 0.433 59.474 59.018 0.038 0.000 1.766 458 C CB -1.166 26.623 27.740 0.082 0.000 1.817 458 C HN 0.632 nan 8.230 nan 0.000 0.543 459 G N 0.900 109.712 108.800 0.019 0.000 2.137 459 G HA2 -0.153 3.807 3.960 0.000 0.000 0.237 459 G HA3 -0.153 3.807 3.960 0.000 0.000 0.237 459 G C -0.201 174.707 174.900 0.013 0.000 1.002 459 G CA 0.141 45.249 45.100 0.014 0.000 0.702 459 G HN 0.503 nan 8.290 nan 0.000 0.515 460 E N -0.043 120.161 120.200 0.006 0.000 2.405 460 E HA 0.458 4.808 4.350 0.000 0.000 0.249 460 E C 0.064 176.644 176.600 -0.033 0.000 1.028 460 E CA -0.729 55.665 56.400 -0.011 0.000 0.897 460 E CB 0.682 30.365 29.700 -0.028 0.000 1.262 460 E HN 0.458 nan 8.360 nan 0.000 0.442 461 E N 1.476 121.648 120.200 -0.046 0.000 2.014 461 E HA 0.159 4.509 4.350 0.000 0.000 0.275 461 E C -1.809 174.749 176.600 -0.069 0.000 0.997 461 E CA -1.674 54.700 56.400 -0.043 0.000 0.804 461 E CB 1.127 30.812 29.700 -0.026 0.000 1.090 461 E HN 0.114 nan 8.360 nan 0.000 0.401 462 P HA -0.234 nan 4.420 nan 0.000 0.215 462 P C 1.194 178.462 177.300 -0.054 0.000 1.163 462 P CA 1.260 64.320 63.100 -0.067 0.000 0.894 462 P CB 0.295 31.971 31.700 -0.041 0.000 0.791 463 S N -0.800 114.879 115.700 -0.034 0.000 2.374 463 S HA -0.146 4.324 4.470 0.000 0.000 0.227 463 S C 1.956 176.544 174.600 -0.021 0.000 1.037 463 S CA 1.630 59.818 58.200 -0.021 0.000 1.024 463 S CB -1.292 61.900 63.200 -0.014 0.000 0.861 463 S HN -0.028 nan 8.310 nan 0.000 0.456 464 V N 1.090 120.988 119.914 -0.027 0.000 2.283 464 V HA -0.093 4.027 4.120 0.000 0.000 0.243 464 V C 2.315 178.402 176.094 -0.011 0.000 1.039 464 V CA 1.312 63.603 62.300 -0.016 0.000 1.016 464 V CB -0.838 30.978 31.823 -0.012 0.000 0.650 464 V HN 0.341 nan 8.190 nan 0.000 0.449 465 V N 0.585 120.458 119.914 -0.068 0.000 2.343 465 V HA -0.243 3.877 4.120 0.000 0.000 0.247 465 V C 2.767 178.851 176.094 -0.016 0.000 1.051 465 V CA 2.021 64.262 62.300 -0.098 0.000 1.036 465 V CB -1.200 30.341 31.823 -0.469 0.000 0.654 465 V HN 0.542 nan 8.190 nan 0.000 0.451 466 A N 0.423 123.221 122.820 -0.036 0.000 1.902 466 A HA -0.295 4.025 4.320 0.000 0.000 0.217 466 A C 2.078 179.680 177.584 0.029 0.000 1.181 466 A CA 2.360 54.396 52.037 -0.001 0.000 0.623 466 A CB -0.868 18.126 19.000 -0.010 0.000 0.818 466 A HN 0.600 nan 8.150 nan 0.000 0.443 467 N N -0.650 118.062 118.700 0.020 0.000 2.120 467 N HA -0.118 4.622 4.740 0.000 0.000 0.188 467 N C 1.678 177.214 175.510 0.043 0.000 1.024 467 N CA 2.280 55.344 53.050 0.024 0.000 0.852 467 N CB -0.351 38.142 38.487 0.009 0.000 1.003 467 N HN 0.415 nan 8.380 nan 0.000 0.424 468 T N -0.637 113.951 114.554 0.056 0.000 2.770 468 T HA -0.031 4.319 4.350 0.000 0.000 0.263 468 T C 1.964 176.777 174.700 0.189 0.000 1.039 468 T CA 1.077 63.214 62.100 0.062 0.000 1.142 468 T CB -0.377 68.458 68.868 -0.056 0.000 0.868 468 T HN -0.000 nan 8.240 nan 0.000 0.435 469 V N 1.690 121.730 119.914 0.211 0.000 2.343 469 V HA -0.184 3.936 4.120 0.000 0.000 0.247 469 V C 2.465 178.676 176.094 0.195 0.000 1.051 469 V CA 1.576 63.998 62.300 0.204 0.000 1.036 469 V CB -0.489 31.403 31.823 0.114 0.000 0.654 469 V HN 0.465 nan 8.190 nan 0.000 0.451 470 K N 0.122 120.596 120.400 0.123 0.000 2.147 470 K HA -0.096 4.224 4.320 0.000 0.000 0.205 470 K C 2.234 178.890 176.600 0.092 0.000 1.049 470 K CA 1.303 57.645 56.287 0.092 0.000 0.936 470 K CB -0.571 31.962 32.500 0.056 0.000 0.722 470 K HN 0.572 nan 8.250 nan 0.000 0.446 471 G N 1.180 110.037 108.800 0.094 0.000 2.432 471 G HA2 -0.146 3.814 3.960 0.000 0.000 0.219 471 G HA3 -0.146 3.814 3.960 0.000 0.000 0.219 471 G C 0.854 175.778 174.900 0.041 0.000 1.135 471 G CA 0.886 46.019 45.100 0.054 0.000 0.767 471 G HN 0.390 nan 8.290 nan 0.000 0.550 472 G N -0.210 108.660 108.800 0.117 0.000 2.509 472 G HA2 0.492 4.452 3.960 0.000 0.000 0.269 472 G HA3 0.492 4.452 3.960 0.000 0.000 0.269 472 G C -0.551 174.403 174.900 0.091 0.000 1.416 472 G CA 0.335 45.444 45.100 0.016 0.000 1.052 472 G HN 0.417 nan 8.290 nan 0.000 0.542 473 D N -3.567 116.885 120.400 0.086 0.000 2.677 473 D HA 0.527 5.167 4.640 0.000 0.000 0.298 473 D C 0.653 177.024 176.300 0.118 0.000 1.250 473 D CA 0.439 54.494 54.000 0.091 0.000 0.888 473 D CB 0.586 41.408 40.800 0.036 0.000 1.397 473 D HN 1.689 nan 8.370 nan 0.000 0.461 474 G N 0.472 109.323 108.800 0.086 0.000 2.550 474 G HA2 -0.300 3.660 3.960 0.000 0.000 0.277 474 G HA3 -0.300 3.660 3.960 0.000 0.000 0.277 474 G C -0.046 174.917 174.900 0.105 0.000 1.190 474 G CA 0.423 45.572 45.100 0.082 0.000 0.971 474 G HN 0.735 nan 8.290 nan 0.000 0.559 475 N N 0.025 118.791 118.700 0.109 0.000 2.376 475 N HA 0.366 5.106 4.740 0.000 0.000 0.249 475 N C -0.256 175.336 175.510 0.137 0.000 1.140 475 N CA -0.088 53.020 53.050 0.098 0.000 0.870 475 N CB 0.367 38.892 38.487 0.064 0.000 1.124 475 N HN 0.544 nan 8.380 nan 0.000 0.505 476 Y N 0.993 121.327 120.300 0.057 0.000 2.436 476 Y HA 0.533 5.083 4.550 0.000 0.000 0.336 476 Y C 0.692 176.662 175.900 0.116 0.000 1.049 476 Y CA -0.240 57.911 58.100 0.084 0.000 1.294 476 Y CB 0.032 38.539 38.460 0.078 0.000 1.179 476 Y HN 0.109 nan 8.280 nan 0.000 0.520 477 G N 4.184 112.744 108.800 -0.400 0.000 2.782 477 G HA2 0.257 4.217 3.960 0.000 0.000 0.304 477 G HA3 0.257 4.217 3.960 0.000 0.000 0.304 477 G C -2.400 172.331 174.900 -0.282 0.000 1.315 477 G CA -0.912 44.017 45.100 -0.284 0.000 0.791 477 G HN 0.526 nan 8.290 nan 0.000 0.519 478 Y N 1.609 121.700 120.300 -0.348 0.000 2.334 478 Y HA 0.517 5.067 4.550 0.000 0.000 0.336 478 Y C 0.010 175.710 175.900 -0.334 0.000 0.960 478 Y CA -1.314 56.465 58.100 -0.535 0.000 1.164 478 Y CB 1.301 39.425 38.460 -0.561 0.000 1.155 478 Y HN 0.410 nan 8.280 nan 0.000 0.478 479 N N 5.037 123.316 118.700 -0.701 0.000 2.402 479 N HA 0.094 4.834 4.740 0.000 0.000 0.259 479 N C 0.667 175.713 175.510 -0.773 0.000 1.167 479 N CA 0.689 53.421 53.050 -0.530 0.000 0.949 479 N CB 1.257 39.522 38.487 -0.370 0.000 1.212 479 N HN 0.942 nan 8.380 nan 0.000 0.493 480 A N 3.933 126.459 122.820 -0.490 0.000 2.019 480 A HA -0.089 4.231 4.320 0.000 0.000 0.219 480 A C 2.065 179.510 177.584 -0.233 0.000 1.164 480 A CA 1.718 53.567 52.037 -0.314 0.000 0.644 480 A CB -0.429 18.548 19.000 -0.037 0.000 0.805 480 A HN 0.719 nan 8.150 nan 0.000 0.449 481 A N -0.205 122.492 122.820 -0.205 0.000 1.832 481 A HA -0.085 4.235 4.320 0.000 0.000 0.214 481 A C 2.436 179.929 177.584 -0.152 0.000 1.200 481 A CA 2.471 54.426 52.037 -0.137 0.000 0.610 481 A CB -1.381 17.555 19.000 -0.108 0.000 0.842 481 A HN 0.811 nan 8.150 nan 0.000 0.444 482 T N -2.819 111.620 114.554 -0.191 0.000 3.085 482 T HA 0.109 4.459 4.350 0.000 0.000 0.263 482 T C 0.328 174.902 174.700 -0.209 0.000 1.127 482 T CA 0.914 62.916 62.100 -0.163 0.000 1.103 482 T CB -0.482 68.302 68.868 -0.140 0.000 0.921 482 T HN 0.593 nan 8.240 nan 0.000 0.510 483 E N 1.193 121.164 120.200 -0.382 0.000 2.320 483 E HA -0.130 4.220 4.350 0.000 0.000 0.234 483 E C -0.825 175.565 176.600 -0.350 0.000 1.183 483 E CA 0.405 56.525 56.400 -0.466 0.000 0.713 483 E CB -0.905 28.735 29.700 -0.098 0.000 1.226 483 E HN 0.661 nan 8.360 nan 0.000 0.382 484 E N -0.404 119.505 120.200 -0.485 0.000 2.383 484 E HA 0.359 4.709 4.350 0.000 0.000 0.275 484 E C -0.665 175.761 176.600 -0.290 0.000 0.918 484 E CA -0.715 55.566 56.400 -0.199 0.000 0.764 484 E CB 1.028 30.681 29.700 -0.078 0.000 1.252 484 E HN 0.033 nan 8.360 nan 0.000 0.449 485 Y N 0.055 120.348 120.300 -0.011 0.000 2.392 485 Y HA 0.668 5.218 4.550 0.000 0.000 0.323 485 Y C 1.269 177.167 175.900 -0.003 0.000 1.291 485 Y CA 0.493 58.564 58.100 -0.049 0.000 1.345 485 Y CB 1.460 39.937 38.460 0.029 0.000 1.320 485 Y HN 0.713 nan 8.280 nan 0.000 0.518 486 G N 0.222 109.101 108.800 0.132 0.000 2.352 486 G HA2 -0.050 3.910 3.960 0.000 0.000 0.283 486 G HA3 -0.050 3.910 3.960 0.000 0.000 0.283 486 G C -1.812 173.178 174.900 0.151 0.000 1.308 486 G CA -1.195 44.028 45.100 0.205 0.000 0.892 486 G HN 0.577 nan 8.290 nan 0.000 0.504 487 N N 1.025 119.808 118.700 0.138 0.000 2.411 487 N HA 0.153 4.893 4.740 0.000 0.000 0.259 487 N C 1.732 177.265 175.510 0.037 0.000 1.103 487 N CA -0.512 52.602 53.050 0.106 0.000 0.954 487 N CB 0.838 39.380 38.487 0.092 0.000 1.085 487 N HN 0.388 nan 8.380 nan 0.000 0.485 488 M N 3.569 123.179 119.600 0.017 0.000 2.108 488 M HA -0.157 4.323 4.480 0.000 0.000 0.261 488 M C 1.655 177.953 176.300 -0.003 0.000 1.066 488 M CA 1.122 56.414 55.300 -0.013 0.000 1.107 488 M CB -0.585 32.005 32.600 -0.015 0.000 1.356 488 M HN 0.565 nan 8.290 nan 0.000 0.406 489 I N 0.240 120.818 120.570 0.013 0.000 2.202 489 I HA -0.248 3.922 4.170 0.000 0.000 0.242 489 I C 1.939 178.061 176.117 0.009 0.000 1.091 489 I CA 1.332 62.639 61.300 0.011 0.000 1.368 489 I CB -1.536 36.476 38.000 0.019 0.000 1.058 489 I HN 0.249 nan 8.210 nan 0.000 0.410 490 D N 0.824 121.233 120.400 0.016 0.000 2.149 490 D HA -0.163 4.477 4.640 0.000 0.000 0.198 490 D C 2.181 178.483 176.300 0.003 0.000 0.990 490 D CA 1.224 55.233 54.000 0.014 0.000 0.839 490 D CB -0.125 40.690 40.800 0.024 0.000 0.948 490 D HN 0.343 nan 8.370 nan 0.000 0.460 491 M N -0.418 119.180 119.600 -0.004 0.000 2.659 491 M HA 0.091 4.571 4.480 0.000 0.000 0.243 491 M C 0.950 177.235 176.300 -0.024 0.000 1.111 491 M CA 0.482 55.770 55.300 -0.020 0.000 1.070 491 M CB 0.267 32.844 32.600 -0.039 0.000 1.525 491 M HN 0.017 nan 8.290 nan 0.000 0.517 492 G N 2.329 111.120 108.800 -0.015 0.000 2.246 492 G HA2 -0.249 3.711 3.960 0.000 0.000 0.273 492 G HA3 -0.249 3.711 3.960 0.000 0.000 0.273 492 G C -0.103 174.785 174.900 -0.020 0.000 1.055 492 G CA -0.105 44.986 45.100 -0.014 0.000 0.851 492 G HN 0.546 nan 8.290 nan 0.000 0.500 493 I N 0.534 121.089 120.570 -0.024 0.000 2.428 493 I HA 0.529 4.699 4.170 0.000 0.000 0.279 493 I C 0.062 176.168 176.117 -0.017 0.000 1.040 493 I CA -0.914 60.369 61.300 -0.029 0.000 1.171 493 I CB 0.758 38.728 38.000 -0.050 0.000 1.312 493 I HN 0.221 nan 8.210 nan 0.000 0.470 494 L N 3.428 124.645 121.223 -0.009 0.000 2.479 494 L HA 0.777 5.117 4.340 0.000 0.000 0.255 494 L C -1.414 175.457 176.870 0.003 0.000 1.026 494 L CA -0.704 54.135 54.840 -0.001 0.000 0.842 494 L CB 1.624 43.685 42.059 0.003 0.000 1.444 494 L HN 0.062 nan 8.230 nan 0.000 0.409 495 D N -0.231 120.174 120.400 0.007 0.000 2.575 495 D HA 0.500 5.140 4.640 0.000 0.000 0.236 495 D C -2.787 173.521 176.300 0.015 0.000 1.075 495 D CA -1.298 52.708 54.000 0.011 0.000 0.860 495 D CB 2.434 43.241 40.800 0.012 0.000 1.475 495 D HN 0.373 nan 8.370 nan 0.000 0.474 496 P HA 0.054 nan 4.420 nan 0.000 0.267 496 P C 0.862 178.174 177.300 0.020 0.000 1.205 496 P CA 0.166 63.278 63.100 0.020 0.000 0.765 496 P CB 0.560 32.275 31.700 0.025 0.000 0.828 497 T N 2.631 117.196 114.554 0.019 0.000 2.721 497 T HA -0.242 4.108 4.350 0.000 0.000 0.268 497 T C 1.610 176.322 174.700 0.020 0.000 1.038 497 T CA 1.419 63.530 62.100 0.018 0.000 1.145 497 T CB -0.283 68.595 68.868 0.016 0.000 0.858 497 T HN 0.500 nan 8.240 nan 0.000 0.459 498 K N 0.458 120.872 120.400 0.023 0.000 2.097 498 K HA -0.062 4.258 4.320 0.000 0.000 0.206 498 K C 2.371 178.992 176.600 0.036 0.000 1.049 498 K CA 1.077 57.380 56.287 0.028 0.000 0.933 498 K CB -0.398 32.121 32.500 0.031 0.000 0.717 498 K HN 0.235 nan 8.250 nan 0.000 0.442 499 V N 0.760 120.694 119.914 0.033 0.000 2.358 499 V HA -0.206 3.914 4.120 0.000 0.000 0.246 499 V C 1.748 177.865 176.094 0.038 0.000 1.047 499 V CA 2.492 64.814 62.300 0.036 0.000 1.035 499 V CB -0.394 31.445 31.823 0.026 0.000 0.658 499 V HN 0.448 nan 8.190 nan 0.000 0.452 500 T N 0.264 114.835 114.554 0.029 0.000 2.746 500 T HA -0.197 4.153 4.350 0.000 0.000 0.267 500 T C 1.943 176.659 174.700 0.027 0.000 1.039 500 T CA 1.992 64.108 62.100 0.026 0.000 1.142 500 T CB -0.347 68.533 68.868 0.020 0.000 0.866 500 T HN 0.545 nan 8.240 nan 0.000 0.444 501 R N 0.843 121.356 120.500 0.022 0.000 2.083 501 R HA -0.094 4.246 4.340 0.000 0.000 0.237 501 R C 2.584 178.889 176.300 0.008 0.000 1.137 501 R CA 1.829 57.934 56.100 0.009 0.000 0.951 501 R CB -0.369 29.932 30.300 0.002 0.000 0.851 501 R HN 0.226 nan 8.270 nan 0.000 0.434 502 S N 0.370 116.096 115.700 0.045 0.000 2.368 502 S HA -0.112 4.358 4.470 0.000 0.000 0.225 502 S C 1.973 176.685 174.600 0.187 0.000 1.030 502 S CA 1.078 59.344 58.200 0.111 0.000 0.999 502 S CB -0.215 63.108 63.200 0.205 0.000 0.844 502 S HN 0.577 nan 8.310 nan 0.000 0.459 503 A N 1.404 124.300 122.820 0.127 0.000 1.883 503 A HA -0.085 4.235 4.320 0.000 0.000 0.217 503 A C 2.132 179.771 177.584 0.092 0.000 1.186 503 A CA 1.497 53.603 52.037 0.114 0.000 0.624 503 A CB -0.745 18.293 19.000 0.063 0.000 0.822 503 A HN 0.419 nan 8.150 nan 0.000 0.444 504 L N -0.209 121.042 121.223 0.048 0.000 2.027 504 L HA -0.171 4.169 4.340 0.000 0.000 0.206 504 L C 2.507 179.377 176.870 0.000 0.000 1.074 504 L CA 2.353 57.207 54.840 0.023 0.000 0.745 504 L CB -0.849 41.215 42.059 0.008 0.000 0.898 504 L HN 0.513 nan 8.230 nan 0.000 0.433 505 Q N -1.850 117.921 119.800 -0.048 0.000 2.124 505 Q HA -0.225 4.115 4.340 0.000 0.000 0.202 505 Q C 2.138 178.043 176.000 -0.158 0.000 0.977 505 Q CA 1.931 57.652 55.803 -0.138 0.000 0.850 505 Q CB -0.297 28.296 28.738 -0.242 0.000 0.901 505 Q HN 0.511 nan 8.270 nan 0.000 0.429 506 Y N 0.108 120.407 120.300 -0.002 0.000 2.314 506 Y HA -0.129 4.421 4.550 0.000 0.000 0.293 506 Y C 2.302 178.201 175.900 -0.002 0.000 1.129 506 Y CA 0.886 58.984 58.100 -0.003 0.000 1.201 506 Y CB -0.471 37.986 38.460 -0.006 0.000 0.999 506 Y HN 0.129 nan 8.280 nan 0.000 0.541 507 A N -0.054 122.851 122.820 0.141 0.000 1.855 507 A HA -0.085 4.235 4.320 0.000 0.000 0.215 507 A C 2.459 180.075 177.584 0.052 0.000 1.191 507 A CA 1.730 53.816 52.037 0.082 0.000 0.613 507 A CB -1.281 17.753 19.000 0.057 0.000 0.829 507 A HN 0.355 nan 8.150 nan 0.000 0.442 508 A N -0.749 122.089 122.820 0.030 0.000 1.978 508 A HA -0.122 4.198 4.320 0.000 0.000 0.220 508 A C 2.436 180.028 177.584 0.012 0.000 1.170 508 A CA 2.258 54.302 52.037 0.012 0.000 0.636 508 A CB -0.856 18.140 19.000 -0.007 0.000 0.810 508 A HN 0.563 nan 8.150 nan 0.000 0.448 509 S N -0.985 114.726 115.700 0.018 0.000 2.335 509 S HA -0.129 4.341 4.470 0.000 0.000 0.216 509 S C 1.972 176.597 174.600 0.041 0.000 1.032 509 S CA 1.610 59.825 58.200 0.024 0.000 1.000 509 S CB -0.611 62.610 63.200 0.036 0.000 0.928 509 S HN 0.569 nan 8.310 nan 0.000 0.434 510 V N 1.886 121.837 119.914 0.062 0.000 2.490 510 V HA -0.016 4.104 4.120 0.000 0.000 0.250 510 V C 2.524 178.639 176.094 0.034 0.000 1.061 510 V CA 2.014 64.343 62.300 0.049 0.000 1.064 510 V CB -1.045 30.809 31.823 0.052 0.000 0.670 510 V HN 0.588 nan 8.190 nan 0.000 0.461 511 A N 0.089 122.927 122.820 0.031 0.000 1.877 511 A HA -0.022 4.298 4.320 0.000 0.000 0.216 511 A C 2.388 179.984 177.584 0.019 0.000 1.186 511 A CA 1.830 53.881 52.037 0.023 0.000 0.620 511 A CB -1.440 17.573 19.000 0.021 0.000 0.822 511 A HN 0.642 nan 8.150 nan 0.000 0.443 512 G N -0.209 108.601 108.800 0.017 0.000 2.422 512 G HA2 -0.170 3.790 3.960 0.000 0.000 0.218 512 G HA3 -0.170 3.790 3.960 0.000 0.000 0.218 512 G C 1.558 176.468 174.900 0.016 0.000 1.146 512 G CA 1.041 46.149 45.100 0.014 0.000 0.769 512 G HN 0.425 nan 8.290 nan 0.000 0.547 513 L N -0.332 120.903 121.223 0.019 0.000 2.017 513 L HA -0.048 4.292 4.340 0.000 0.000 0.208 513 L C 3.125 180.007 176.870 0.021 0.000 1.073 513 L CA 1.090 55.943 54.840 0.020 0.000 0.745 513 L CB -0.348 41.725 42.059 0.024 0.000 0.894 513 L HN 0.241 nan 8.230 nan 0.000 0.432 514 M N -0.535 119.078 119.600 0.021 0.000 2.117 514 M HA -0.208 4.272 4.480 0.000 0.000 0.262 514 M C 2.276 178.588 176.300 0.020 0.000 1.065 514 M CA 1.774 57.087 55.300 0.021 0.000 1.114 514 M CB -0.318 32.295 32.600 0.021 0.000 1.361 514 M HN 0.203 nan 8.290 nan 0.000 0.408 515 I N -0.013 120.568 120.570 0.018 0.000 2.567 515 I HA -0.204 3.966 4.170 0.000 0.000 0.257 515 I C 1.594 177.722 176.117 0.017 0.000 1.184 515 I CA 1.353 62.662 61.300 0.016 0.000 1.451 515 I CB -0.591 37.416 38.000 0.013 0.000 1.089 515 I HN 0.393 nan 8.210 nan 0.000 0.441 516 T N -3.089 111.476 114.554 0.018 0.000 3.243 516 T HA 0.191 4.541 4.350 0.000 0.000 0.264 516 T C 0.393 175.108 174.700 0.025 0.000 1.000 516 T CA -0.350 61.762 62.100 0.020 0.000 0.901 516 T CB -0.305 68.573 68.868 0.018 0.000 1.083 516 T HN -0.082 nan 8.240 nan 0.000 0.559 517 T N 1.921 116.490 114.554 0.026 0.000 2.795 517 T HA 0.397 4.747 4.350 0.000 0.000 0.282 517 T C 0.456 175.178 174.700 0.038 0.000 0.980 517 T CA -0.597 61.520 62.100 0.029 0.000 1.012 517 T CB 1.811 70.693 68.868 0.024 0.000 0.936 517 T HN 0.087 nan 8.240 nan 0.000 0.457 518 E N 0.395 120.627 120.200 0.052 0.000 2.541 518 E HA 0.187 4.537 4.350 0.000 0.000 0.219 518 E C -0.073 176.595 176.600 0.115 0.000 0.922 518 E CA 0.095 56.550 56.400 0.093 0.000 1.095 518 E CB 0.862 30.632 29.700 0.116 0.000 1.112 518 E HN 0.569 nan 8.360 nan 0.000 0.516 519 C N 0.746 120.059 119.300 0.020 0.000 2.880 519 C HA 0.682 5.142 4.460 0.000 0.000 0.320 519 C C -1.352 173.559 174.990 -0.130 0.000 1.176 519 C CA -0.571 58.352 59.018 -0.159 0.000 1.390 519 C CB 0.425 28.071 27.740 -0.156 0.000 1.846 519 C HN 0.118 nan 8.230 nan 0.000 0.478 520 M N 5.156 124.656 119.600 -0.166 0.000 2.326 520 M HA 0.613 5.093 4.480 0.000 0.000 0.306 520 M C -1.125 175.224 176.300 0.081 0.000 1.054 520 M CA -0.580 54.737 55.300 0.029 0.000 0.922 520 M CB 2.147 34.877 32.600 0.217 0.000 1.632 520 M HN 0.391 nan 8.290 nan 0.000 0.436 521 V N 1.315 121.253 119.914 0.039 0.000 2.531 521 V HA 0.774 4.894 4.120 0.000 0.000 0.301 521 V C -0.364 175.684 176.094 -0.077 0.000 1.034 521 V CA -0.416 61.887 62.300 0.005 0.000 0.865 521 V CB 2.028 33.834 31.823 -0.029 0.000 0.995 521 V HN 0.948 nan 8.190 nan 0.000 0.424 522 T N 2.184 116.650 114.554 -0.146 0.000 2.843 522 T HA 0.427 4.777 4.350 0.000 0.000 0.302 522 T C -1.167 173.431 174.700 -0.171 0.000 1.232 522 T CA -0.551 61.401 62.100 -0.246 0.000 1.009 522 T CB 1.817 70.365 68.868 -0.533 0.000 1.254 522 T HN 0.696 nan 8.240 nan 0.000 0.504 523 D N 1.457 121.770 120.400 -0.146 0.000 2.382 523 D HA 0.347 4.987 4.640 0.000 0.000 0.240 523 D C -0.142 176.106 176.300 -0.088 0.000 1.146 523 D CA -0.186 53.759 54.000 -0.091 0.000 0.897 523 D CB 0.366 41.121 40.800 -0.074 0.000 1.197 523 D HN 0.190 nan 8.370 nan 0.000 0.432 524 L N 3.699 124.897 121.223 -0.042 0.000 2.416 524 L HA 0.160 4.500 4.340 0.000 0.000 0.272 524 L C -1.174 175.679 176.870 -0.028 0.000 1.161 524 L CA -1.350 53.479 54.840 -0.019 0.000 0.845 524 L CB 0.485 42.545 42.059 0.001 0.000 1.119 524 L HN 0.418 nan 8.230 nan 0.000 0.464 525 P HA -0.141 nan 4.420 nan 0.000 0.229 525 P C -0.042 177.250 177.300 -0.013 0.000 1.150 525 P CA 1.053 64.140 63.100 -0.021 0.000 0.765 525 P CB 0.146 31.843 31.700 -0.006 0.000 0.783 526 K N 0.000 120.395 120.400 -0.008 0.000 2.780 526 K HA 0.000 4.320 4.320 0.000 0.000 0.191 526 K CA 0.000 56.284 56.287 -0.005 0.000 0.838 526 K CB 0.000 32.500 32.500 0.000 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543