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 3e76_1_M 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 TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.579 177.584 -0.009 0.000 1.274 2 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 2 A CB 0.000 18.990 19.000 -0.016 0.000 0.831 3 A N 2.917 125.733 122.820 -0.006 0.000 2.477 3 A HA 0.583 4.903 4.320 -0.000 0.000 0.246 3 A C 0.261 177.840 177.584 -0.008 0.000 1.078 3 A CA 0.290 52.326 52.037 -0.002 0.000 0.770 3 A CB 0.143 19.144 19.000 0.003 0.000 1.011 3 A HN 0.625 nan 8.150 nan 0.000 0.494 4 K N 1.370 121.768 120.400 -0.002 0.000 2.281 4 K HA 0.440 4.759 4.320 -0.000 0.000 0.242 4 K C -1.435 175.172 176.600 0.012 0.000 0.971 4 K CA -0.717 55.564 56.287 -0.011 0.000 0.834 4 K CB 2.083 34.575 32.500 -0.014 0.000 1.181 4 K HN 0.756 nan 8.250 nan 0.000 0.435 5 D N 0.966 121.375 120.400 0.015 0.000 2.278 5 D HA 0.400 5.040 4.640 -0.000 0.000 0.245 5 D C -1.341 175.053 176.300 0.158 0.000 1.052 5 D CA -0.605 53.455 54.000 0.100 0.000 0.834 5 D CB 1.479 42.374 40.800 0.157 0.000 1.194 5 D HN 0.071 nan 8.370 nan 0.000 0.481 6 V N 4.145 124.127 119.914 0.113 0.000 2.531 6 V HA 0.441 4.561 4.120 -0.000 0.000 0.301 6 V C -0.050 175.923 176.094 -0.202 0.000 1.034 6 V CA -0.814 61.462 62.300 -0.040 0.000 0.865 6 V CB 1.794 33.520 31.823 -0.161 0.000 0.995 6 V HN 0.412 nan 8.190 nan 0.000 0.424 7 K N 3.723 123.924 120.400 -0.331 0.000 2.259 7 K HA 0.744 5.064 4.320 -0.000 0.000 0.252 7 K C -1.595 174.684 176.600 -0.534 0.000 0.936 7 K CA -0.501 55.519 56.287 -0.446 0.000 0.810 7 K CB 2.339 34.430 32.500 -0.682 0.000 1.143 7 K HN 0.447 nan 8.250 nan 0.000 0.427 8 F N 0.368 120.276 119.950 -0.071 0.000 2.522 8 F HA 0.421 4.948 4.527 -0.000 0.000 0.324 8 F C 1.195 176.967 175.800 -0.046 0.000 1.077 8 F CA 0.103 58.081 58.000 -0.037 0.000 0.944 8 F CB 1.794 40.781 39.000 -0.021 0.000 1.175 8 F HN 0.839 nan 8.300 nan 0.000 0.468 9 G N 2.513 111.420 108.800 0.177 0.000 2.611 9 G HA2 -0.417 3.542 3.960 -0.000 0.000 0.301 9 G HA3 -0.417 3.542 3.960 -0.000 0.000 0.301 9 G C 1.267 176.189 174.900 0.037 0.000 1.233 9 G CA 0.665 45.822 45.100 0.094 0.000 0.993 9 G HN 0.683 nan 8.290 nan 0.000 0.553 10 N N 0.772 119.487 118.700 0.025 0.000 2.104 10 N HA -0.139 4.600 4.740 -0.000 0.000 0.190 10 N C 1.867 177.366 175.510 -0.018 0.000 1.024 10 N CA 2.000 55.052 53.050 0.004 0.000 0.853 10 N CB -0.421 38.067 38.487 0.003 0.000 1.008 10 N HN 0.592 nan 8.380 nan 0.000 0.424 11 D N 0.344 120.728 120.400 -0.026 0.000 2.149 11 D HA -0.119 4.521 4.640 -0.000 0.000 0.198 11 D C 1.525 177.745 176.300 -0.133 0.000 0.990 11 D CA 1.148 55.104 54.000 -0.072 0.000 0.839 11 D CB 0.094 40.852 40.800 -0.070 0.000 0.948 11 D HN 0.344 nan 8.370 nan 0.000 0.460 12 A N 0.467 123.215 122.820 -0.120 0.000 1.970 12 A HA -0.051 4.269 4.320 -0.000 0.000 0.216 12 A C 2.314 179.855 177.584 -0.072 0.000 1.170 12 A CA 0.675 52.616 52.037 -0.159 0.000 0.645 12 A CB -0.230 18.701 19.000 -0.115 0.000 0.816 12 A HN 0.131 nan 8.150 nan 0.000 0.447 13 R N -0.226 120.253 120.500 -0.034 0.000 2.073 13 R HA -0.081 4.259 4.340 -0.000 0.000 0.229 13 R C 2.110 178.406 176.300 -0.008 0.000 1.120 13 R CA 1.466 57.561 56.100 -0.007 0.000 0.967 13 R CB -0.546 29.755 30.300 0.003 0.000 0.862 13 R HN 0.538 nan 8.270 nan 0.000 0.436 14 V N -0.304 119.598 119.914 -0.021 0.000 2.594 14 V HA -0.171 3.949 4.120 -0.000 0.000 0.253 14 V C 1.712 177.799 176.094 -0.011 0.000 1.069 14 V CA 1.501 63.792 62.300 -0.016 0.000 1.082 14 V CB -0.402 31.408 31.823 -0.022 0.000 0.680 14 V HN 0.115 nan 8.190 nan 0.000 0.469 15 K N -0.204 120.183 120.400 -0.021 0.000 2.167 15 K HA 0.136 4.456 4.320 -0.000 0.000 0.203 15 K C 2.096 178.725 176.600 0.048 0.000 1.052 15 K CA 1.492 57.786 56.287 0.011 0.000 0.956 15 K CB -0.268 32.228 32.500 -0.006 0.000 0.735 15 K HN 0.516 nan 8.250 nan 0.000 0.451 16 M N 0.287 119.912 119.600 0.041 0.000 2.123 16 M HA -0.137 4.343 4.480 -0.000 0.000 0.263 16 M C 2.224 178.542 176.300 0.030 0.000 1.069 16 M CA 1.037 56.364 55.300 0.045 0.000 1.133 16 M CB -0.261 32.363 32.600 0.040 0.000 1.356 16 M HN 0.014 nan 8.290 nan 0.000 0.415 17 L N 0.537 121.773 121.223 0.021 0.000 2.012 17 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 17 L C 2.458 179.338 176.870 0.016 0.000 1.073 17 L CA 1.957 56.807 54.840 0.016 0.000 0.748 17 L CB -0.589 41.477 42.059 0.011 0.000 0.891 17 L HN 0.164 nan 8.230 nan 0.000 0.431 18 R N -0.397 120.113 120.500 0.016 0.000 2.105 18 R HA -0.110 4.229 4.340 -0.000 0.000 0.239 18 R C 2.134 178.447 176.300 0.021 0.000 1.135 18 R CA 1.684 57.794 56.100 0.017 0.000 0.967 18 R CB -1.035 29.275 30.300 0.017 0.000 0.861 18 R HN 0.515 nan 8.270 nan 0.000 0.442 19 G N -0.319 108.498 108.800 0.028 0.000 2.394 19 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.214 19 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.214 19 G C 1.415 176.327 174.900 0.021 0.000 1.176 19 G CA 0.895 46.012 45.100 0.029 0.000 0.786 19 G HN 0.332 nan 8.290 nan 0.000 0.533 20 V N -0.444 119.482 119.914 0.020 0.000 2.427 20 V HA -0.096 4.024 4.120 -0.000 0.000 0.248 20 V C 2.272 178.374 176.094 0.013 0.000 1.051 20 V CA 1.990 64.300 62.300 0.017 0.000 1.048 20 V CB -0.718 31.116 31.823 0.018 0.000 0.666 20 V HN 0.146 nan 8.190 nan 0.000 0.456 21 N N 1.021 119.728 118.700 0.013 0.000 2.205 21 N HA -0.099 4.641 4.740 -0.000 0.000 0.186 21 N C 1.717 177.232 175.510 0.009 0.000 1.015 21 N CA 1.660 54.717 53.050 0.010 0.000 0.862 21 N CB -0.590 37.903 38.487 0.010 0.000 0.986 21 N HN 0.512 nan 8.380 nan 0.000 0.429 22 V N 1.041 120.961 119.914 0.010 0.000 2.270 22 V HA -0.143 3.977 4.120 -0.000 0.000 0.245 22 V C 2.362 178.460 176.094 0.006 0.000 1.043 22 V CA 1.078 63.383 62.300 0.008 0.000 1.014 22 V CB -0.549 31.280 31.823 0.009 0.000 0.645 22 V HN 0.230 nan 8.190 nan 0.000 0.447 23 L N -0.020 121.207 121.223 0.007 0.000 2.046 23 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 23 L C 2.485 179.357 176.870 0.004 0.000 1.077 23 L CA 1.861 56.703 54.840 0.004 0.000 0.747 23 L CB -0.484 41.578 42.059 0.004 0.000 0.896 23 L HN 0.309 nan 8.230 nan 0.000 0.432 24 A N -0.452 122.372 122.820 0.006 0.000 1.855 24 A HA -0.235 4.085 4.320 -0.000 0.000 0.215 24 A C 1.868 179.454 177.584 0.004 0.000 1.191 24 A CA 1.934 53.974 52.037 0.006 0.000 0.613 24 A CB -0.790 18.214 19.000 0.008 0.000 0.829 24 A HN 0.479 nan 8.150 nan 0.000 0.442 25 D N 0.053 120.456 120.400 0.004 0.000 2.218 25 D HA 0.010 4.650 4.640 -0.000 0.000 0.204 25 D C 1.942 178.244 176.300 0.002 0.000 0.976 25 D CA 1.291 55.293 54.000 0.003 0.000 0.853 25 D CB -0.252 40.550 40.800 0.004 0.000 0.939 25 D HN 0.447 nan 8.370 nan 0.000 0.481 26 A N -0.140 122.681 122.820 0.002 0.000 2.067 26 A HA 0.021 4.340 4.320 -0.000 0.000 0.217 26 A C 2.204 179.788 177.584 -0.000 0.000 1.156 26 A CA 0.597 52.634 52.037 0.001 0.000 0.683 26 A CB 0.089 19.090 19.000 0.001 0.000 0.808 26 A HN 0.157 nan 8.150 nan 0.000 0.455 27 V N 0.481 120.394 119.914 -0.000 0.000 2.788 27 V HA -0.109 4.011 4.120 -0.000 0.000 0.241 27 V C 2.291 178.384 176.094 -0.001 0.000 1.083 27 V CA 1.531 63.830 62.300 -0.002 0.000 1.103 27 V CB -0.281 31.540 31.823 -0.003 0.000 0.800 27 V HN 0.773 nan 8.190 nan 0.000 0.476 28 K N 1.891 122.292 120.400 0.001 0.000 2.360 28 K HA -0.114 4.206 4.320 -0.000 0.000 0.201 28 K C 1.685 178.286 176.600 0.001 0.000 1.046 28 K CA 1.823 58.111 56.287 0.002 0.000 0.945 28 K CB -0.617 31.884 32.500 0.003 0.000 0.750 28 K HN 0.493 nan 8.250 nan 0.000 0.464 29 V N -0.485 119.430 119.914 0.001 0.000 3.217 29 V HA -0.067 4.053 4.120 -0.000 0.000 0.264 29 V C 1.806 177.900 176.094 0.000 0.000 1.135 29 V CA 1.357 63.657 62.300 0.000 0.000 1.142 29 V CB -0.818 31.005 31.823 0.000 0.000 0.754 29 V HN 0.519 nan 8.190 nan 0.000 0.484 30 T N -2.256 112.297 114.554 -0.001 0.000 3.186 30 T HA 0.415 4.765 4.350 -0.000 0.000 0.257 30 T C 0.127 174.826 174.700 -0.002 0.000 1.029 30 T CA -0.300 61.799 62.100 -0.002 0.000 0.916 30 T CB 0.007 68.872 68.868 -0.004 0.000 1.041 30 T HN 0.290 nan 8.240 nan 0.000 0.562 31 L N 2.312 123.535 121.223 0.000 0.000 2.395 31 L HA 0.669 5.009 4.340 -0.000 0.000 0.269 31 L C 0.889 177.761 176.870 0.003 0.000 1.133 31 L CA 1.513 56.354 54.840 0.002 0.000 0.812 31 L CB 0.146 42.208 42.059 0.004 0.000 1.125 31 L HN 0.654 nan 8.230 nan 0.000 0.452 32 G N 4.327 113.128 108.800 0.003 0.000 2.741 32 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.222 32 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.222 32 G C -2.143 172.756 174.900 -0.002 0.000 1.364 32 G CA -0.143 44.959 45.100 0.003 0.000 0.866 32 G HN 0.651 nan 8.290 nan 0.000 0.555 33 P HA 0.220 nan 4.420 nan 0.000 0.245 33 P C 0.926 178.221 177.300 -0.008 0.000 1.199 33 P CA 0.617 63.710 63.100 -0.011 0.000 0.807 33 P CB 0.326 32.013 31.700 -0.022 0.000 1.002 34 K N 0.829 121.228 120.400 -0.001 0.000 2.520 34 K HA 0.247 4.567 4.320 -0.000 0.000 0.205 34 K C 1.092 177.694 176.600 0.004 0.000 1.035 34 K CA -0.081 56.208 56.287 0.004 0.000 1.188 34 K CB -0.212 32.297 32.500 0.015 0.000 0.894 34 K HN 0.101 nan 8.250 nan 0.000 0.497 35 G N 1.203 110.003 108.800 0.001 0.000 2.636 35 G HA2 0.115 4.075 3.960 -0.000 0.000 0.246 35 G HA3 0.115 4.075 3.960 -0.000 0.000 0.246 35 G C 0.067 174.967 174.900 -0.001 0.000 1.216 35 G CA -0.443 44.657 45.100 0.000 0.000 0.854 35 G HN 0.088 nan 8.290 nan 0.000 0.572 36 R N 0.146 120.645 120.500 -0.000 0.000 2.674 36 R HA 0.261 4.601 4.340 -0.000 0.000 0.266 36 R C -0.434 175.866 176.300 -0.001 0.000 1.016 36 R CA -0.908 55.192 56.100 -0.001 0.000 1.062 36 R CB 0.834 31.134 30.300 0.000 0.000 1.142 36 R HN 0.577 nan 8.270 nan 0.000 0.517 37 N N -0.579 118.121 118.700 -0.001 0.000 2.499 37 N HA 0.248 4.988 4.740 -0.000 0.000 0.281 37 N C -0.936 174.573 175.510 -0.001 0.000 1.098 37 N CA -0.233 52.816 53.050 -0.001 0.000 0.979 37 N CB 1.293 39.779 38.487 -0.001 0.000 1.121 37 N HN 0.117 nan 8.380 nan 0.000 0.466 38 V N 2.608 122.522 119.914 -0.001 0.000 2.448 38 V HA 0.334 4.454 4.120 -0.000 0.000 0.295 38 V C -0.364 175.730 176.094 0.000 0.000 1.025 38 V CA -0.794 61.506 62.300 -0.001 0.000 0.859 38 V CB 1.680 33.503 31.823 -0.001 0.000 0.988 38 V HN 0.338 nan 8.190 nan 0.000 0.431 39 V N 6.785 126.700 119.914 0.001 0.000 2.407 39 V HA 0.463 4.582 4.120 -0.000 0.000 0.278 39 V C -0.147 175.948 176.094 0.003 0.000 1.037 39 V CA -0.425 61.876 62.300 0.002 0.000 0.900 39 V CB 1.313 33.138 31.823 0.002 0.000 0.983 39 V HN 0.613 nan 8.190 nan 0.000 0.459 40 L N 3.759 124.985 121.223 0.005 0.000 2.313 40 L HA 0.538 4.877 4.340 -0.000 0.000 0.283 40 L C -0.276 176.600 176.870 0.010 0.000 1.013 40 L CA -0.563 54.281 54.840 0.007 0.000 0.816 40 L CB 1.742 43.805 42.059 0.007 0.000 1.236 40 L HN 0.531 nan 8.230 nan 0.000 0.419 41 D N 2.967 123.373 120.400 0.009 0.000 2.345 41 D HA 0.294 4.933 4.640 -0.000 0.000 0.247 41 D C -0.658 175.654 176.300 0.020 0.000 1.108 41 D CA 0.140 54.147 54.000 0.011 0.000 0.894 41 D CB 0.976 41.778 40.800 0.004 0.000 1.203 41 D HN 0.339 nan 8.370 nan 0.000 0.430 42 K N 0.801 121.218 120.400 0.028 0.000 2.375 42 K HA 0.248 4.568 4.320 -0.000 0.000 0.249 42 K C 0.975 177.599 176.600 0.039 0.000 0.942 42 K CA -0.622 55.695 56.287 0.050 0.000 0.806 42 K CB 1.801 34.345 32.500 0.074 0.000 1.227 42 K HN 0.441 nan 8.250 nan 0.000 0.430 43 S N 1.338 117.064 115.700 0.043 0.000 2.368 43 S HA -0.064 4.406 4.470 -0.000 0.000 0.225 43 S C 0.604 175.131 174.600 -0.122 0.000 1.030 43 S CA 0.784 58.953 58.200 -0.052 0.000 0.999 43 S CB -0.282 62.869 63.200 -0.082 0.000 0.844 43 S HN 0.416 nan 8.310 nan 0.000 0.459 44 F N 3.382 123.329 119.950 -0.005 0.000 2.404 44 F HA 0.562 5.089 4.527 -0.001 0.000 0.359 44 F C 1.605 177.402 175.800 -0.004 0.000 1.134 44 F CA 0.477 58.474 58.000 -0.005 0.000 1.160 44 F CB 0.449 39.446 39.000 -0.005 0.000 1.186 44 F HN 0.544 nan 8.300 nan 0.000 0.526 45 G N 2.311 111.177 108.800 0.110 0.000 2.550 45 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.277 45 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.277 45 G C 0.008 174.937 174.900 0.048 0.000 1.190 45 G CA -0.461 44.684 45.100 0.076 0.000 0.971 45 G HN 1.034 nan 8.290 nan 0.000 0.559 46 A N 1.672 124.518 122.820 0.045 0.000 2.445 46 A HA 0.651 4.971 4.320 -0.000 0.000 0.242 46 A C -1.314 176.288 177.584 0.029 0.000 1.075 46 A CA 0.258 52.313 52.037 0.029 0.000 0.777 46 A CB -0.183 18.832 19.000 0.024 0.000 1.013 46 A HN 0.714 nan 8.150 nan 0.000 0.493 47 P HA 0.340 nan 4.420 nan 0.000 0.274 47 P C -0.473 176.836 177.300 0.016 0.000 1.237 47 P CA -0.154 62.957 63.100 0.017 0.000 0.793 47 P CB 0.576 32.283 31.700 0.011 0.000 0.977 48 T N 2.027 116.590 114.554 0.015 0.000 2.744 48 T HA 0.469 4.818 4.350 -0.000 0.000 0.291 48 T C 0.325 175.029 174.700 0.007 0.000 0.957 48 T CA -0.234 61.872 62.100 0.011 0.000 1.002 48 T CB -0.160 68.715 68.868 0.011 0.000 0.919 48 T HN 0.172 nan 8.240 nan 0.000 0.468 49 I N 2.995 123.567 120.570 0.005 0.000 2.312 49 I HA 0.497 4.667 4.170 -0.000 0.000 0.290 49 I C 0.575 176.693 176.117 0.000 0.000 1.008 49 I CA -0.351 60.950 61.300 0.002 0.000 1.226 49 I CB 1.384 39.386 38.000 0.002 0.000 1.371 49 I HN 0.507 nan 8.210 nan 0.000 0.468 50 T N 4.115 118.669 114.554 -0.001 0.000 2.868 50 T HA 0.399 4.749 4.350 -0.000 0.000 0.306 50 T C 0.236 174.933 174.700 -0.004 0.000 1.224 50 T CA -0.584 61.514 62.100 -0.003 0.000 1.012 50 T CB 1.804 70.670 68.868 -0.004 0.000 1.221 50 T HN 0.651 nan 8.240 nan 0.000 0.499 51 K N 0.662 121.059 120.400 -0.006 0.000 2.373 51 K HA 0.170 4.490 4.320 -0.000 0.000 0.200 51 K C -0.302 176.293 176.600 -0.010 0.000 1.054 51 K CA -0.188 56.095 56.287 -0.007 0.000 1.065 51 K CB 0.372 32.867 32.500 -0.007 0.000 0.886 51 K HN 0.490 nan 8.250 nan 0.000 0.546 52 D N 0.809 121.202 120.400 -0.012 0.000 2.349 52 D HA 0.000 4.640 4.640 -0.000 0.000 0.266 52 D C 1.223 177.514 176.300 -0.016 0.000 1.293 52 D CA 0.140 54.130 54.000 -0.016 0.000 0.926 52 D CB 0.982 41.771 40.800 -0.019 0.000 1.090 52 D HN 0.232 nan 8.370 nan 0.000 0.502 53 G N 2.570 111.360 108.800 -0.017 0.000 2.479 53 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.220 53 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.220 53 G C 1.433 176.321 174.900 -0.020 0.000 1.115 53 G CA 0.816 45.907 45.100 -0.016 0.000 0.757 53 G HN 0.488 nan 8.290 nan 0.000 0.560 54 V N 0.747 120.646 119.914 -0.026 0.000 2.323 54 V HA -0.126 3.994 4.120 -0.000 0.000 0.244 54 V C 2.962 179.042 176.094 -0.023 0.000 1.041 54 V CA 2.031 64.313 62.300 -0.030 0.000 1.025 54 V CB -0.703 31.097 31.823 -0.039 0.000 0.656 54 V HN 0.320 nan 8.190 nan 0.000 0.451 55 S N 0.258 115.946 115.700 -0.019 0.000 2.382 55 S HA -0.138 4.332 4.470 -0.000 0.000 0.228 55 S C 2.011 176.606 174.600 -0.009 0.000 1.027 55 S CA 1.445 59.637 58.200 -0.013 0.000 0.991 55 S CB -0.177 63.017 63.200 -0.011 0.000 0.823 55 S HN 0.392 nan 8.310 nan 0.000 0.469 56 V N 1.842 121.750 119.914 -0.009 0.000 2.323 56 V HA -0.125 3.995 4.120 -0.000 0.000 0.244 56 V C 2.651 178.741 176.094 -0.007 0.000 1.041 56 V CA 1.550 63.846 62.300 -0.007 0.000 1.025 56 V CB -1.228 30.591 31.823 -0.006 0.000 0.656 56 V HN 0.520 nan 8.190 nan 0.000 0.451 57 A N 0.053 122.866 122.820 -0.011 0.000 1.883 57 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 57 A C 2.376 179.953 177.584 -0.011 0.000 1.186 57 A CA 1.892 53.922 52.037 -0.012 0.000 0.624 57 A CB -0.582 18.408 19.000 -0.017 0.000 0.822 57 A HN 0.458 nan 8.150 nan 0.000 0.444 58 R N -0.604 119.888 120.500 -0.014 0.000 2.117 58 R HA -0.140 4.200 4.340 -0.000 0.000 0.243 58 R C 1.760 178.056 176.300 -0.007 0.000 1.143 58 R CA 1.437 57.529 56.100 -0.013 0.000 0.968 58 R CB -0.244 30.048 30.300 -0.013 0.000 0.863 58 R HN 0.522 nan 8.270 nan 0.000 0.444 59 E N 0.229 120.426 120.200 -0.004 0.000 2.285 59 E HA -0.007 4.343 4.350 -0.000 0.000 0.194 59 E C 0.594 177.194 176.600 -0.000 0.000 0.997 59 E CA 0.282 56.682 56.400 0.000 0.000 0.845 59 E CB 0.133 29.834 29.700 0.002 0.000 0.782 59 E HN 0.169 nan 8.360 nan 0.000 0.491 60 I N 1.969 122.538 120.570 -0.002 0.000 2.533 60 I HA 0.075 4.245 4.170 -0.000 0.000 0.284 60 I C 0.410 176.525 176.117 -0.002 0.000 1.109 60 I CA 0.457 61.756 61.300 -0.001 0.000 1.412 60 I CB 0.061 38.060 38.000 -0.001 0.000 1.396 60 I HN -0.014 nan 8.210 nan 0.000 0.543 61 E N 6.961 127.160 120.200 -0.002 0.000 2.428 61 E HA 0.362 4.712 4.350 -0.000 0.000 0.307 61 E C -1.675 174.923 176.600 -0.003 0.000 0.902 61 E CA -0.496 55.902 56.400 -0.004 0.000 0.799 61 E CB 1.376 31.072 29.700 -0.006 0.000 1.351 61 E HN 0.460 nan 8.360 nan 0.000 0.392 62 L N 3.127 124.349 121.223 -0.001 0.000 2.439 62 L HA 0.327 4.666 4.340 -0.000 0.000 0.259 62 L C 1.705 178.575 176.870 -0.000 0.000 1.129 62 L CA -0.108 54.734 54.840 0.003 0.000 0.803 62 L CB 0.943 43.008 42.059 0.011 0.000 1.161 62 L HN 0.720 nan 8.230 nan 0.000 0.462 63 E N 0.498 120.701 120.200 0.005 0.000 2.033 63 E HA -0.159 4.191 4.350 -0.000 0.000 0.189 63 E C 0.122 176.726 176.600 0.007 0.000 0.979 63 E CA 0.462 56.864 56.400 0.003 0.000 0.802 63 E CB 0.201 29.905 29.700 0.007 0.000 0.763 63 E HN 0.706 nan 8.360 nan 0.000 0.449 64 D N 0.711 121.126 120.400 0.025 0.000 2.412 64 D HA -0.062 4.578 4.640 -0.000 0.000 0.257 64 D C 0.953 177.273 176.300 0.034 0.000 1.217 64 D CA 0.071 54.102 54.000 0.051 0.000 0.897 64 D CB 0.705 41.554 40.800 0.083 0.000 1.132 64 D HN -0.060 nan 8.370 nan 0.000 0.493 65 K N 3.270 123.656 120.400 -0.023 0.000 2.113 65 K HA -0.181 4.139 4.320 -0.000 0.000 0.208 65 K C 1.618 178.108 176.600 -0.184 0.000 1.047 65 K CA 1.254 57.450 56.287 -0.151 0.000 0.928 65 K CB -0.298 32.033 32.500 -0.282 0.000 0.716 65 K HN 0.555 nan 8.250 nan 0.000 0.446 66 F N 1.481 121.419 119.950 -0.021 0.000 2.113 66 F HA -0.099 4.428 4.527 0.000 0.000 0.297 66 F C 2.405 178.195 175.800 -0.017 0.000 1.103 66 F CA 1.137 59.122 58.000 -0.024 0.000 1.248 66 F CB -0.387 38.596 39.000 -0.029 0.000 0.999 66 F HN 0.123 nan 8.300 nan 0.000 0.475 67 E N 0.007 120.311 120.200 0.174 0.000 2.085 67 E HA -0.275 4.075 4.350 -0.000 0.000 0.194 67 E C 1.895 178.524 176.600 0.049 0.000 0.994 67 E CA 1.372 57.827 56.400 0.090 0.000 0.801 67 E CB -0.390 29.350 29.700 0.067 0.000 0.743 67 E HN 0.305 nan 8.360 nan 0.000 0.453 68 N N 0.820 119.535 118.700 0.025 0.000 2.061 68 N HA -0.197 4.543 4.740 -0.000 0.000 0.193 68 N C 1.750 177.258 175.510 -0.004 0.000 1.030 68 N CA 1.561 54.611 53.050 -0.001 0.000 0.856 68 N CB -0.068 38.404 38.487 -0.024 0.000 1.023 68 N HN 0.082 nan 8.380 nan 0.000 0.424 69 M N -0.522 119.072 119.600 -0.010 0.000 2.065 69 M HA -0.080 4.400 4.480 -0.000 0.000 0.259 69 M C 2.239 178.548 176.300 0.016 0.000 1.069 69 M CA 1.904 57.199 55.300 -0.008 0.000 1.110 69 M CB -0.857 31.735 32.600 -0.012 0.000 1.328 69 M HN 0.352 nan 8.290 nan 0.000 0.405 70 G N -0.012 108.810 108.800 0.037 0.000 2.514 70 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 70 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 70 G C 1.611 176.524 174.900 0.023 0.000 1.198 70 G CA 1.343 46.465 45.100 0.035 0.000 0.780 70 G HN 0.568 nan 8.290 nan 0.000 0.565 71 A N -0.315 122.517 122.820 0.019 0.000 1.892 71 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 71 A C 2.365 179.953 177.584 0.006 0.000 1.188 71 A CA 2.128 54.172 52.037 0.012 0.000 0.631 71 A CB -0.433 18.572 19.000 0.010 0.000 0.822 71 A HN 0.358 nan 8.150 nan 0.000 0.447 72 Q N -1.126 118.675 119.800 0.002 0.000 2.291 72 Q HA -0.016 4.323 4.340 -0.000 0.000 0.205 72 Q C 2.041 178.042 176.000 0.001 0.000 0.970 72 Q CA 0.994 56.795 55.803 -0.003 0.000 0.876 72 Q CB -0.273 28.459 28.738 -0.010 0.000 0.935 72 Q HN 0.789 nan 8.270 nan 0.000 0.455 73 M N -0.218 119.386 119.600 0.008 0.000 2.123 73 M HA -0.130 4.350 4.480 -0.000 0.000 0.263 73 M C 2.175 178.485 176.300 0.017 0.000 1.069 73 M CA 1.289 56.597 55.300 0.014 0.000 1.133 73 M CB -0.119 32.493 32.600 0.019 0.000 1.356 73 M HN 0.119 nan 8.290 nan 0.000 0.415 74 V N -2.235 117.688 119.914 0.016 0.000 2.809 74 V HA -0.138 3.982 4.120 -0.000 0.000 0.256 74 V C 1.952 178.050 176.094 0.006 0.000 1.080 74 V CA 1.455 63.766 62.300 0.017 0.000 1.102 74 V CB -0.971 30.863 31.823 0.017 0.000 0.705 74 V HN 0.417 nan 8.190 nan 0.000 0.475 75 K N 0.087 120.487 120.400 -0.000 0.000 2.097 75 K HA -0.156 4.164 4.320 -0.000 0.000 0.205 75 K C 2.271 178.859 176.600 -0.020 0.000 1.050 75 K CA 1.456 57.736 56.287 -0.011 0.000 0.938 75 K CB -0.131 32.363 32.500 -0.011 0.000 0.718 75 K HN 0.464 nan 8.250 nan 0.000 0.442 76 E N 0.439 120.632 120.200 -0.012 0.000 2.333 76 E HA -0.132 4.218 4.350 -0.000 0.000 0.198 76 E C 1.739 178.321 176.600 -0.029 0.000 1.007 76 E CA 0.851 57.242 56.400 -0.015 0.000 0.845 76 E CB 0.244 29.946 29.700 0.004 0.000 0.766 76 E HN 0.170 nan 8.360 nan 0.000 0.507 77 V N 0.262 120.164 119.914 -0.020 0.000 2.374 77 V HA -0.042 4.078 4.120 -0.000 0.000 0.241 77 V C 2.478 178.505 176.094 -0.111 0.000 1.034 77 V CA 1.198 63.479 62.300 -0.033 0.000 1.037 77 V CB -0.998 30.850 31.823 0.042 0.000 0.682 77 V HN 0.167 nan 8.190 nan 0.000 0.463 78 A N 1.796 124.577 122.820 -0.065 0.000 1.884 78 A HA -0.302 4.018 4.320 -0.000 0.000 0.219 78 A C 2.554 180.074 177.584 -0.108 0.000 1.197 78 A CA 3.125 55.119 52.037 -0.072 0.000 0.637 78 A CB -1.087 17.888 19.000 -0.042 0.000 0.827 78 A HN 0.732 nan 8.150 nan 0.000 0.450 79 S N -0.683 114.957 115.700 -0.100 0.000 2.402 79 S HA -0.117 4.353 4.470 -0.000 0.000 0.229 79 S C 1.811 176.315 174.600 -0.159 0.000 1.021 79 S CA 1.459 59.597 58.200 -0.104 0.000 0.974 79 S CB -0.267 62.890 63.200 -0.072 0.000 0.800 79 S HN 0.617 nan 8.310 nan 0.000 0.484 80 K N 1.098 121.350 120.400 -0.246 0.000 2.167 80 K HA 0.266 4.586 4.320 -0.000 0.000 0.203 80 K C 2.467 178.680 176.600 -0.645 0.000 1.052 80 K CA 0.759 56.796 56.287 -0.417 0.000 0.956 80 K CB -0.357 31.857 32.500 -0.476 0.000 0.735 80 K HN 0.470 nan 8.250 nan 0.000 0.451 81 A N 1.701 124.177 122.820 -0.573 0.000 1.933 81 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 81 A C 1.858 179.330 177.584 -0.188 0.000 1.175 81 A CA 1.839 53.652 52.037 -0.373 0.000 0.628 81 A CB -0.609 18.281 19.000 -0.183 0.000 0.814 81 A HN 0.289 nan 8.150 nan 0.000 0.444 82 N N 0.209 118.813 118.700 -0.161 0.000 2.223 82 N HA -0.140 4.599 4.740 -0.000 0.000 0.185 82 N C 1.022 176.477 175.510 -0.092 0.000 1.016 82 N CA 1.690 54.675 53.050 -0.108 0.000 0.863 82 N CB -0.201 38.227 38.487 -0.097 0.000 0.983 82 N HN 0.409 nan 8.380 nan 0.000 0.429 83 D N -0.583 119.749 120.400 -0.112 0.000 2.183 83 D HA 0.010 4.650 4.640 -0.000 0.000 0.203 83 D C 1.629 177.914 176.300 -0.025 0.000 0.969 83 D CA 0.950 54.910 54.000 -0.067 0.000 0.842 83 D CB -0.236 40.518 40.800 -0.077 0.000 0.957 83 D HN 0.413 nan 8.370 nan 0.000 0.484 84 A N 0.412 123.209 122.820 -0.039 0.000 1.898 84 A HA 0.284 4.604 4.320 -0.000 0.000 0.214 84 A C 2.034 179.654 177.584 0.060 0.000 1.183 84 A CA 1.796 53.858 52.037 0.042 0.000 0.622 84 A CB 0.016 19.085 19.000 0.116 0.000 0.824 84 A HN 0.236 nan 8.150 nan 0.000 0.444 85 A N -3.629 119.217 122.820 0.043 0.000 1.933 85 A HA 0.477 4.797 4.320 -0.000 0.000 0.198 85 A C 1.810 179.442 177.584 0.079 0.000 1.617 85 A CA 1.106 53.187 52.037 0.074 0.000 1.039 85 A CB -0.174 18.859 19.000 0.056 0.000 1.066 85 A HN 1.847 nan 8.150 nan 0.000 0.484 86 G N -0.657 108.134 108.800 -0.015 0.000 2.213 86 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.226 86 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.226 86 G C -0.093 174.755 174.900 -0.086 0.000 0.992 86 G CA 0.566 45.597 45.100 -0.114 0.000 0.632 86 G HN 0.808 nan 8.290 nan 0.000 0.511 87 D N -1.095 119.285 120.400 -0.033 0.000 2.423 87 D HA 0.591 5.231 4.640 -0.000 0.000 0.235 87 D C 1.049 177.341 176.300 -0.013 0.000 1.011 87 D CA 0.774 54.761 54.000 -0.021 0.000 0.963 87 D CB 1.000 41.801 40.800 0.001 0.000 1.349 87 D HN 1.350 nan 8.370 nan 0.000 0.508 88 G N 0.648 109.442 108.800 -0.010 0.000 2.160 88 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.244 88 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.244 88 G C 0.927 175.822 174.900 -0.008 0.000 1.022 88 G CA 1.115 46.214 45.100 -0.001 0.000 0.741 88 G HN 0.725 nan 8.290 nan 0.000 0.508 89 T N -3.450 111.091 114.554 -0.023 0.000 2.857 89 T HA -0.037 4.313 4.350 -0.000 0.000 0.266 89 T C 2.260 176.949 174.700 -0.017 0.000 1.048 89 T CA 2.323 64.404 62.100 -0.031 0.000 1.139 89 T CB -0.388 68.454 68.868 -0.043 0.000 0.874 89 T HN 0.306 nan 8.240 nan 0.000 0.455 90 T N 2.297 116.844 114.554 -0.012 0.000 2.857 90 T HA -0.053 4.297 4.350 -0.000 0.000 0.266 90 T C 2.223 176.924 174.700 0.002 0.000 1.048 90 T CA 1.695 63.792 62.100 -0.006 0.000 1.139 90 T CB -0.813 68.052 68.868 -0.005 0.000 0.874 90 T HN 0.564 nan 8.240 nan 0.000 0.455 91 T N 2.036 116.593 114.554 0.005 0.000 2.867 91 T HA 0.064 4.414 4.350 -0.000 0.000 0.268 91 T C 2.428 177.140 174.700 0.020 0.000 1.057 91 T CA 0.917 63.025 62.100 0.013 0.000 1.136 91 T CB -0.461 68.416 68.868 0.016 0.000 0.874 91 T HN 0.422 nan 8.240 nan 0.000 0.466 92 A N 1.849 124.680 122.820 0.020 0.000 1.873 92 A HA -0.098 4.222 4.320 -0.000 0.000 0.215 92 A C 2.586 180.186 177.584 0.027 0.000 1.186 92 A CA 1.921 53.977 52.037 0.032 0.000 0.616 92 A CB -1.293 17.723 19.000 0.027 0.000 0.823 92 A HN 0.457 nan 8.150 nan 0.000 0.442 93 T N 0.107 114.669 114.554 0.014 0.000 2.821 93 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 93 T C 1.952 176.660 174.700 0.014 0.000 1.046 93 T CA 1.730 63.838 62.100 0.012 0.000 1.139 93 T CB -0.635 68.235 68.868 0.004 0.000 0.871 93 T HN 0.597 nan 8.240 nan 0.000 0.454 94 V N -0.080 119.841 119.914 0.013 0.000 2.515 94 V HA 0.005 4.125 4.120 -0.000 0.000 0.250 94 V C 2.201 178.305 176.094 0.016 0.000 1.058 94 V CA 1.243 63.551 62.300 0.012 0.000 1.064 94 V CB -1.070 30.759 31.823 0.010 0.000 0.675 94 V HN 0.384 nan 8.190 nan 0.000 0.461 95 L N 0.657 121.893 121.223 0.021 0.000 2.023 95 L HA 0.048 4.388 4.340 -0.000 0.000 0.205 95 L C 3.083 179.967 176.870 0.025 0.000 1.073 95 L CA 1.631 56.485 54.840 0.024 0.000 0.745 95 L CB -0.927 41.150 42.059 0.030 0.000 0.900 95 L HN 0.376 nan 8.230 nan 0.000 0.435 96 A N -0.543 122.294 122.820 0.029 0.000 1.903 96 A HA -0.342 3.978 4.320 -0.000 0.000 0.219 96 A C 2.252 179.849 177.584 0.023 0.000 1.191 96 A CA 2.263 54.318 52.037 0.030 0.000 0.638 96 A CB -0.772 18.248 19.000 0.034 0.000 0.823 96 A HN 0.534 nan 8.150 nan 0.000 0.451 97 Q N -0.791 119.021 119.800 0.019 0.000 2.061 97 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 97 Q C 2.240 178.249 176.000 0.014 0.000 0.984 97 Q CA 1.736 57.548 55.803 0.015 0.000 0.846 97 Q CB -0.338 28.408 28.738 0.013 0.000 0.902 97 Q HN 0.629 nan 8.270 nan 0.000 0.421 98 A N 0.410 123.238 122.820 0.014 0.000 1.969 98 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 98 A C 1.898 179.490 177.584 0.013 0.000 1.169 98 A CA 1.142 53.187 52.037 0.013 0.000 0.635 98 A CB -0.474 18.533 19.000 0.013 0.000 0.810 98 A HN 0.466 nan 8.150 nan 0.000 0.445 99 I N -0.798 119.782 120.570 0.016 0.000 2.333 99 I HA -0.150 4.020 4.170 -0.000 0.000 0.246 99 I C 2.215 178.341 176.117 0.015 0.000 1.106 99 I CA 0.903 62.212 61.300 0.015 0.000 1.411 99 I CB -0.302 37.708 38.000 0.018 0.000 1.082 99 I HN 0.236 nan 8.210 nan 0.000 0.420 100 I N 0.663 121.243 120.570 0.016 0.000 2.163 100 I HA -0.246 3.924 4.170 -0.000 0.000 0.240 100 I C 2.595 178.720 176.117 0.013 0.000 1.081 100 I CA 1.645 62.955 61.300 0.016 0.000 1.353 100 I CB -0.607 37.404 38.000 0.018 0.000 1.054 100 I HN 0.226 nan 8.210 nan 0.000 0.407 101 T N 0.090 114.652 114.554 0.012 0.000 2.684 101 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 101 T C 1.774 176.479 174.700 0.009 0.000 1.036 101 T CA 1.260 63.366 62.100 0.010 0.000 1.148 101 T CB -0.218 68.656 68.868 0.009 0.000 0.863 101 T HN 0.274 nan 8.240 nan 0.000 0.436 102 E N 0.688 120.893 120.200 0.009 0.000 2.158 102 E HA 0.055 4.405 4.350 -0.000 0.000 0.191 102 E C 2.527 179.132 176.600 0.009 0.000 0.982 102 E CA 0.781 57.186 56.400 0.008 0.000 0.823 102 E CB -0.713 28.992 29.700 0.008 0.000 0.766 102 E HN 0.576 nan 8.360 nan 0.000 0.468 103 G N 1.501 110.307 108.800 0.010 0.000 2.434 103 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.214 103 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.214 103 G C 1.711 176.617 174.900 0.010 0.000 1.202 103 G CA 0.432 45.538 45.100 0.010 0.000 0.788 103 G HN 0.177 nan 8.290 nan 0.000 0.539 104 L N 0.060 121.289 121.223 0.010 0.000 2.127 104 L HA -0.081 4.259 4.340 -0.000 0.000 0.211 104 L C 2.914 179.788 176.870 0.008 0.000 1.089 104 L CA 1.099 55.945 54.840 0.010 0.000 0.757 104 L CB -0.337 41.728 42.059 0.010 0.000 0.899 104 L HN 0.202 nan 8.230 nan 0.000 0.434 105 K N 0.100 120.504 120.400 0.007 0.000 2.063 105 K HA -0.200 4.119 4.320 -0.000 0.000 0.208 105 K C 2.208 178.811 176.600 0.005 0.000 1.048 105 K CA 1.544 57.834 56.287 0.006 0.000 0.928 105 K CB -0.179 32.324 32.500 0.005 0.000 0.713 105 K HN 0.328 nan 8.250 nan 0.000 0.442 106 A N 0.591 123.415 122.820 0.006 0.000 1.929 106 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 106 A C 2.253 179.841 177.584 0.006 0.000 1.176 106 A CA 1.158 53.198 52.037 0.006 0.000 0.628 106 A CB -0.380 18.623 19.000 0.006 0.000 0.816 106 A HN 0.084 nan 8.150 nan 0.000 0.444 107 V N -0.080 119.839 119.914 0.008 0.000 2.358 107 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 107 V C 2.954 179.053 176.094 0.007 0.000 1.047 107 V CA 1.837 64.142 62.300 0.009 0.000 1.035 107 V CB -1.337 30.493 31.823 0.011 0.000 0.658 107 V HN 0.561 nan 8.190 nan 0.000 0.452 108 A N 0.053 122.877 122.820 0.006 0.000 2.015 108 A HA 0.061 4.381 4.320 -0.000 0.000 0.219 108 A C 2.341 179.928 177.584 0.004 0.000 1.163 108 A CA 1.611 53.651 52.037 0.005 0.000 0.646 108 A CB -0.567 18.435 19.000 0.004 0.000 0.806 108 A HN 0.566 nan 8.150 nan 0.000 0.448 109 A N -1.423 121.399 122.820 0.004 0.000 2.066 109 A HA 0.374 4.694 4.320 -0.000 0.000 0.218 109 A C 1.626 179.211 177.584 0.003 0.000 1.157 109 A CA 1.440 53.478 52.037 0.003 0.000 0.670 109 A CB -0.676 18.326 19.000 0.003 0.000 0.804 109 A HN 1.885 nan 8.150 nan 0.000 0.453 110 G N -1.586 107.216 108.800 0.004 0.000 2.468 110 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.143 110 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.143 110 G C -0.271 174.632 174.900 0.004 0.000 1.065 110 G CA -0.021 45.081 45.100 0.003 0.000 0.776 110 G HN 0.287 nan 8.290 nan 0.000 0.486 111 M N -0.066 119.537 119.600 0.005 0.000 2.598 111 M HA 0.351 4.831 4.480 -0.000 0.000 0.317 111 M C 0.413 176.717 176.300 0.007 0.000 1.179 111 M CA -0.764 54.539 55.300 0.005 0.000 0.936 111 M CB 1.793 34.396 32.600 0.005 0.000 1.713 111 M HN 0.222 nan 8.290 nan 0.000 0.460 112 N N 1.973 120.677 118.700 0.006 0.000 2.431 112 N HA 0.103 4.843 4.740 -0.000 0.000 0.265 112 N C -1.990 173.525 175.510 0.009 0.000 1.184 112 N CA -1.329 51.725 53.050 0.007 0.000 0.943 112 N CB 0.972 39.463 38.487 0.006 0.000 1.080 112 N HN 0.275 nan 8.380 nan 0.000 0.477 113 P HA -0.179 nan 4.420 nan 0.000 0.215 113 P C 1.378 178.685 177.300 0.011 0.000 1.153 113 P CA 1.064 64.172 63.100 0.012 0.000 0.853 113 P CB 0.201 31.910 31.700 0.015 0.000 0.788 114 M N -0.688 118.918 119.600 0.011 0.000 2.213 114 M HA -0.125 4.355 4.480 -0.000 0.000 0.263 114 M C 1.123 177.427 176.300 0.007 0.000 1.062 114 M CA 1.658 56.963 55.300 0.009 0.000 1.105 114 M CB -1.345 31.261 32.600 0.009 0.000 1.385 114 M HN -0.053 nan 8.290 nan 0.000 0.417 115 D N -0.035 120.369 120.400 0.007 0.000 2.194 115 D HA -0.002 4.638 4.640 -0.000 0.000 0.204 115 D C 2.175 178.479 176.300 0.005 0.000 0.964 115 D CA 0.763 54.766 54.000 0.005 0.000 0.846 115 D CB -0.026 40.777 40.800 0.005 0.000 0.962 115 D HN 0.317 nan 8.370 nan 0.000 0.490 116 L N 0.613 121.840 121.223 0.007 0.000 2.109 116 L HA -0.097 4.243 4.340 -0.000 0.000 0.207 116 L C 2.459 179.333 176.870 0.007 0.000 1.086 116 L CA 0.911 55.755 54.840 0.007 0.000 0.760 116 L CB -0.181 41.883 42.059 0.008 0.000 0.910 116 L HN -0.048 nan 8.230 nan 0.000 0.437 117 K N 0.541 120.945 120.400 0.007 0.000 2.026 117 K HA -0.182 4.138 4.320 -0.000 0.000 0.208 117 K C 2.275 178.877 176.600 0.003 0.000 1.048 117 K CA 1.347 57.638 56.287 0.006 0.000 0.929 117 K CB 0.023 32.528 32.500 0.007 0.000 0.713 117 K HN 0.183 nan 8.250 nan 0.000 0.439 118 R N -0.373 120.129 120.500 0.003 0.000 2.120 118 R HA -0.088 4.252 4.340 -0.000 0.000 0.234 118 R C 2.424 178.725 176.300 0.001 0.000 1.123 118 R CA 1.221 57.322 56.100 0.001 0.000 0.975 118 R CB -0.410 29.891 30.300 0.002 0.000 0.866 118 R HN 0.382 nan 8.270 nan 0.000 0.446 119 G N 1.100 109.901 108.800 0.003 0.000 2.402 119 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 119 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 119 G C 1.425 176.327 174.900 0.003 0.000 1.162 119 G CA 0.547 45.649 45.100 0.003 0.000 0.777 119 G HN 0.149 nan 8.290 nan 0.000 0.539 120 I N 0.864 121.436 120.570 0.003 0.000 2.163 120 I HA -0.119 4.051 4.170 -0.000 0.000 0.240 120 I C 2.281 178.398 176.117 0.000 0.000 1.081 120 I CA 1.225 62.527 61.300 0.003 0.000 1.353 120 I CB -0.151 37.852 38.000 0.005 0.000 1.054 120 I HN 0.029 nan 8.210 nan 0.000 0.407 121 D N 0.683 121.082 120.400 -0.003 0.000 2.178 121 D HA -0.192 4.448 4.640 -0.000 0.000 0.201 121 D C 2.083 178.379 176.300 -0.007 0.000 0.980 121 D CA 1.103 55.098 54.000 -0.008 0.000 0.842 121 D CB -0.130 40.664 40.800 -0.010 0.000 0.948 121 D HN 0.284 nan 8.370 nan 0.000 0.472 122 K N 0.577 120.975 120.400 -0.004 0.000 2.062 122 K HA -0.028 4.292 4.320 -0.000 0.000 0.205 122 K C 2.003 178.602 176.600 -0.001 0.000 1.051 122 K CA 0.933 57.218 56.287 -0.002 0.000 0.941 122 K CB 0.065 32.565 32.500 -0.001 0.000 0.719 122 K HN -0.026 nan 8.250 nan 0.000 0.440 123 A N 0.620 123.440 122.820 0.001 0.000 1.933 123 A HA -0.103 4.216 4.320 -0.000 0.000 0.218 123 A C 2.168 179.753 177.584 0.002 0.000 1.175 123 A CA 1.433 53.472 52.037 0.003 0.000 0.628 123 A CB -0.465 18.538 19.000 0.005 0.000 0.814 123 A HN 0.166 nan 8.150 nan 0.000 0.444 124 V N -0.424 119.490 119.914 -0.001 0.000 2.323 124 V HA -0.183 3.937 4.120 -0.000 0.000 0.244 124 V C 2.722 178.812 176.094 -0.006 0.000 1.041 124 V CA 2.367 64.665 62.300 -0.003 0.000 1.025 124 V CB -1.156 30.662 31.823 -0.009 0.000 0.656 124 V HN 0.603 nan 8.190 nan 0.000 0.451 125 T N 0.594 115.143 114.554 -0.009 0.000 2.803 125 T HA -0.164 4.186 4.350 -0.000 0.000 0.269 125 T C 1.953 176.651 174.700 -0.004 0.000 1.052 125 T CA 1.559 63.654 62.100 -0.009 0.000 1.136 125 T CB -0.364 68.498 68.868 -0.010 0.000 0.864 125 T HN 0.551 nan 8.240 nan 0.000 0.467 126 A N 1.052 123.871 122.820 -0.001 0.000 1.970 126 A HA 0.405 4.725 4.320 -0.000 0.000 0.216 126 A C 2.582 180.169 177.584 0.004 0.000 1.170 126 A CA 1.324 53.362 52.037 0.002 0.000 0.645 126 A CB -0.790 18.212 19.000 0.003 0.000 0.816 126 A HN 0.491 nan 8.150 nan 0.000 0.447 127 A N -0.510 122.313 122.820 0.005 0.000 1.929 127 A HA 0.085 4.405 4.320 -0.000 0.000 0.216 127 A C 2.137 179.726 177.584 0.008 0.000 1.176 127 A CA 1.522 53.564 52.037 0.008 0.000 0.628 127 A CB -0.719 18.286 19.000 0.009 0.000 0.816 127 A HN 0.321 nan 8.150 nan 0.000 0.444 128 V N -0.044 119.873 119.914 0.004 0.000 2.427 128 V HA -0.201 3.919 4.120 -0.000 0.000 0.248 128 V C 2.566 178.663 176.094 0.005 0.000 1.051 128 V CA 2.309 64.611 62.300 0.004 0.000 1.048 128 V CB -0.605 31.217 31.823 -0.003 0.000 0.666 128 V HN 0.597 nan 8.190 nan 0.000 0.456 129 E N 0.347 120.550 120.200 0.004 0.000 2.106 129 E HA -0.208 4.142 4.350 -0.000 0.000 0.192 129 E C 2.124 178.729 176.600 0.008 0.000 0.984 129 E CA 1.269 57.672 56.400 0.005 0.000 0.806 129 E CB -0.169 29.534 29.700 0.004 0.000 0.750 129 E HN 0.605 nan 8.360 nan 0.000 0.458 130 E N -0.656 119.549 120.200 0.009 0.000 2.152 130 E HA -0.080 4.270 4.350 -0.000 0.000 0.192 130 E C 1.753 178.361 176.600 0.013 0.000 0.983 130 E CA 0.426 56.833 56.400 0.011 0.000 0.818 130 E CB -0.197 29.511 29.700 0.012 0.000 0.758 130 E HN 0.212 nan 8.360 nan 0.000 0.467 131 L N 0.718 121.949 121.223 0.014 0.000 2.093 131 L HA -0.073 4.266 4.340 -0.000 0.000 0.208 131 L C 1.835 178.714 176.870 0.015 0.000 1.085 131 L CA 1.647 56.496 54.840 0.016 0.000 0.755 131 L CB -0.162 41.907 42.059 0.017 0.000 0.904 131 L HN -0.002 nan 8.230 nan 0.000 0.435 132 K N -0.990 119.418 120.400 0.013 0.000 2.147 132 K HA -0.109 4.211 4.320 -0.000 0.000 0.205 132 K C 1.996 178.603 176.600 0.012 0.000 1.049 132 K CA 1.176 57.470 56.287 0.012 0.000 0.936 132 K CB -0.254 32.251 32.500 0.009 0.000 0.722 132 K HN 0.407 nan 8.250 nan 0.000 0.446 133 A N 0.979 123.806 122.820 0.012 0.000 1.970 133 A HA -0.039 4.281 4.320 -0.000 0.000 0.216 133 A C 1.928 179.521 177.584 0.014 0.000 1.170 133 A CA 0.791 52.835 52.037 0.012 0.000 0.645 133 A CB -0.252 18.755 19.000 0.011 0.000 0.816 133 A HN 0.210 nan 8.150 nan 0.000 0.447 134 L N -0.473 120.760 121.223 0.016 0.000 2.492 134 L HA 0.069 4.409 4.340 -0.000 0.000 0.223 134 L C 1.093 177.974 176.870 0.019 0.000 1.132 134 L CA 0.082 54.934 54.840 0.020 0.000 0.850 134 L CB 0.017 42.089 42.059 0.022 0.000 0.966 134 L HN 0.351 nan 8.230 nan 0.000 0.454 135 S N -0.312 115.398 115.700 0.017 0.000 2.549 135 S HA 0.178 4.648 4.470 -0.000 0.000 0.279 135 S C -0.193 174.416 174.600 0.014 0.000 1.321 135 S CA -0.482 57.728 58.200 0.016 0.000 1.054 135 S CB 0.888 64.097 63.200 0.015 0.000 0.899 135 S HN 0.004 nan 8.310 nan 0.000 0.497 136 V N 8.605 128.527 119.914 0.014 0.000 2.311 136 V HA 0.351 4.471 4.120 -0.000 0.000 0.275 136 V C -2.093 174.007 176.094 0.011 0.000 1.022 136 V CA -1.784 60.523 62.300 0.013 0.000 0.830 136 V CB 0.810 32.642 31.823 0.014 0.000 1.012 136 V HN 0.745 nan 8.190 nan 0.000 0.452 137 P HA 0.199 nan 4.420 nan 0.000 0.272 137 P C -0.594 176.710 177.300 0.006 0.000 1.223 137 P CA -0.364 62.740 63.100 0.007 0.000 0.784 137 P CB 0.494 32.197 31.700 0.006 0.000 0.923 138 C N 2.342 121.644 119.300 0.004 0.000 2.250 138 C HA 0.304 4.764 4.460 -0.000 0.000 0.319 138 C C 1.615 176.606 174.990 0.001 0.000 1.124 138 C CA 0.265 59.285 59.018 0.003 0.000 1.527 138 C CB -0.724 27.017 27.740 0.003 0.000 2.001 138 C HN 0.590 nan 8.230 nan 0.000 0.435 139 S N 1.404 117.105 115.700 0.001 0.000 2.431 139 S HA 0.022 4.492 4.470 -0.000 0.000 0.210 139 S C 0.647 175.246 174.600 -0.002 0.000 1.013 139 S CA 0.286 58.486 58.200 -0.001 0.000 0.920 139 S CB -0.138 63.062 63.200 -0.000 0.000 0.882 139 S HN 0.920 nan 8.310 nan 0.000 0.567 140 D N 1.931 122.331 120.400 -0.001 0.000 2.362 140 D HA 0.067 4.707 4.640 -0.000 0.000 0.242 140 D C 0.712 177.011 176.300 -0.002 0.000 1.132 140 D CA 0.164 54.163 54.000 -0.002 0.000 0.907 140 D CB 0.837 41.636 40.800 -0.001 0.000 1.195 140 D HN 0.275 nan 8.370 nan 0.000 0.429 141 S N 0.118 115.816 115.700 -0.003 0.000 2.603 141 S HA -0.115 4.355 4.470 -0.000 0.000 0.229 141 S C 1.372 175.970 174.600 -0.003 0.000 0.972 141 S CA 0.298 58.496 58.200 -0.004 0.000 0.935 141 S CB -0.183 63.014 63.200 -0.004 0.000 0.769 141 S HN 0.584 nan 8.310 nan 0.000 0.536 142 K N 1.035 121.434 120.400 -0.002 0.000 2.166 142 K HA 0.299 4.619 4.320 -0.000 0.000 0.201 142 K C 2.134 178.734 176.600 -0.000 0.000 1.052 142 K CA 0.750 57.037 56.287 -0.001 0.000 0.969 142 K CB -0.323 32.177 32.500 -0.000 0.000 0.761 142 K HN 0.408 nan 8.250 nan 0.000 0.459 143 A N 0.716 123.536 122.820 0.000 0.000 2.072 143 A HA 0.042 4.361 4.320 -0.000 0.000 0.216 143 A C 1.839 179.423 177.584 0.001 0.000 1.156 143 A CA 0.592 52.630 52.037 0.001 0.000 0.701 143 A CB -0.318 18.683 19.000 0.002 0.000 0.816 143 A HN 0.252 nan 8.150 nan 0.000 0.458 144 I N -0.301 120.269 120.570 -0.001 0.000 2.315 144 I HA -0.220 3.950 4.170 -0.000 0.000 0.248 144 I C 2.839 178.955 176.117 -0.001 0.000 1.117 144 I CA 0.947 62.246 61.300 -0.001 0.000 1.404 144 I CB -0.148 37.849 38.000 -0.004 0.000 1.071 144 I HN 0.338 nan 8.210 nan 0.000 0.419 145 A N 0.027 122.846 122.820 -0.001 0.000 1.969 145 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 145 A C 2.241 179.825 177.584 -0.000 0.000 1.169 145 A CA 1.273 53.309 52.037 -0.001 0.000 0.635 145 A CB -0.449 18.550 19.000 -0.002 0.000 0.810 145 A HN 0.445 nan 8.150 nan 0.000 0.445 146 Q N -0.495 119.305 119.800 0.000 0.000 2.119 146 Q HA -0.105 4.235 4.340 -0.000 0.000 0.201 146 Q C 2.082 178.082 176.000 0.001 0.000 0.972 146 Q CA 1.606 57.409 55.803 0.001 0.000 0.847 146 Q CB -0.250 28.489 28.738 0.001 0.000 0.903 146 Q HN 0.536 nan 8.270 nan 0.000 0.433 147 V N -0.059 119.856 119.914 0.002 0.000 2.379 147 V HA -0.129 3.991 4.120 -0.000 0.000 0.245 147 V C 2.175 178.271 176.094 0.005 0.000 1.044 147 V CA 1.855 64.157 62.300 0.004 0.000 1.036 147 V CB -0.936 30.890 31.823 0.005 0.000 0.664 147 V HN 0.477 nan 8.190 nan 0.000 0.453 148 G N -0.460 108.342 108.800 0.003 0.000 2.471 148 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.219 148 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.219 148 G C 1.617 176.519 174.900 0.003 0.000 1.125 148 G CA 1.371 46.474 45.100 0.004 0.000 0.775 148 G HN 0.486 nan 8.290 nan 0.000 0.548 149 T N 1.289 115.844 114.554 0.001 0.000 2.770 149 T HA 0.022 4.371 4.350 -0.000 0.000 0.258 149 T C 2.358 177.057 174.700 -0.001 0.000 1.039 149 T CA 0.779 62.879 62.100 -0.000 0.000 1.143 149 T CB -0.103 68.764 68.868 -0.001 0.000 0.866 149 T HN 0.267 nan 8.240 nan 0.000 0.428 150 I N 1.312 121.881 120.570 -0.001 0.000 2.761 150 I HA -0.044 4.126 4.170 -0.000 0.000 0.261 150 I C 2.344 178.459 176.117 -0.003 0.000 1.198 150 I CA 0.626 61.924 61.300 -0.004 0.000 1.482 150 I CB -0.292 37.705 38.000 -0.005 0.000 1.100 150 I HN 0.124 nan 8.210 nan 0.000 0.445 151 S N 0.872 116.573 115.700 0.001 0.000 2.453 151 S HA 0.086 4.556 4.470 -0.000 0.000 0.231 151 S C 1.667 176.269 174.600 0.003 0.000 1.005 151 S CA 0.923 59.125 58.200 0.004 0.000 0.949 151 S CB -0.036 63.170 63.200 0.011 0.000 0.774 151 S HN 0.499 nan 8.310 nan 0.000 0.510 152 A N 1.475 124.296 122.820 0.002 0.000 2.708 152 A HA 0.467 4.787 4.320 -0.000 0.000 0.293 152 A C 0.432 178.014 177.584 -0.002 0.000 1.303 152 A CA -0.520 51.518 52.037 0.001 0.000 0.949 152 A CB -0.557 18.445 19.000 0.003 0.000 1.121 152 A HN 0.309 nan 8.150 nan 0.000 0.542 153 N N 0.202 118.900 118.700 -0.004 0.000 2.681 153 N HA -0.203 4.537 4.740 -0.000 0.000 0.259 153 N C 0.197 175.703 175.510 -0.007 0.000 1.066 153 N CA 1.029 54.075 53.050 -0.007 0.000 0.717 153 N CB -1.879 36.604 38.487 -0.007 0.000 0.885 153 N HN 0.549 nan 8.380 nan 0.000 0.547 154 S N -1.108 114.588 115.700 -0.007 0.000 3.533 154 S HA -0.238 4.232 4.470 -0.000 0.000 0.347 154 S C -0.332 174.265 174.600 -0.005 0.000 1.101 154 S CA 0.974 59.170 58.200 -0.006 0.000 1.009 154 S CB -0.808 62.387 63.200 -0.008 0.000 0.916 154 S HN 0.726 nan 8.310 nan 0.000 0.496 155 D N 0.870 121.268 120.400 -0.004 0.000 2.359 155 D HA 0.265 4.905 4.640 -0.000 0.000 0.230 155 D C 0.984 177.283 176.300 -0.002 0.000 1.118 155 D CA -0.344 53.654 54.000 -0.003 0.000 0.844 155 D CB 0.766 41.565 40.800 -0.002 0.000 1.059 155 D HN 0.417 nan 8.370 nan 0.000 0.493 156 E N 1.162 121.360 120.200 -0.002 0.000 2.285 156 E HA -0.061 4.289 4.350 -0.000 0.000 0.194 156 E C 1.320 177.919 176.600 -0.002 0.000 0.997 156 E CA 0.684 57.083 56.400 -0.002 0.000 0.845 156 E CB 0.428 30.126 29.700 -0.002 0.000 0.782 156 E HN 0.475 nan 8.360 nan 0.000 0.491 157 T N 0.568 115.121 114.554 -0.002 0.000 2.867 157 T HA -0.091 4.259 4.350 -0.000 0.000 0.268 157 T C 2.111 176.810 174.700 -0.001 0.000 1.057 157 T CA 0.724 62.823 62.100 -0.002 0.000 1.136 157 T CB -0.061 68.806 68.868 -0.002 0.000 0.874 157 T HN -0.016 nan 8.240 nan 0.000 0.466 158 V N 1.656 121.570 119.914 -0.001 0.000 2.270 158 V HA -0.027 4.093 4.120 -0.000 0.000 0.245 158 V C 2.950 179.044 176.094 -0.000 0.000 1.043 158 V CA 1.938 64.238 62.300 0.000 0.000 1.014 158 V CB -1.398 30.426 31.823 0.002 0.000 0.645 158 V HN 0.564 nan 8.190 nan 0.000 0.447 159 G N -0.617 108.183 108.800 -0.000 0.000 2.448 159 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.219 159 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.219 159 G C 1.641 176.540 174.900 -0.002 0.000 1.127 159 G CA 0.922 46.022 45.100 -0.001 0.000 0.766 159 G HN 0.481 nan 8.290 nan 0.000 0.552 160 K N -0.172 120.227 120.400 -0.002 0.000 2.097 160 K HA 0.124 4.444 4.320 -0.000 0.000 0.205 160 K C 2.416 179.013 176.600 -0.004 0.000 1.050 160 K CA 0.511 56.796 56.287 -0.003 0.000 0.938 160 K CB -0.183 32.315 32.500 -0.003 0.000 0.718 160 K HN 0.324 nan 8.250 nan 0.000 0.442 161 L N 0.753 121.973 121.223 -0.004 0.000 2.056 161 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 161 L C 2.257 179.124 176.870 -0.006 0.000 1.078 161 L CA 0.944 55.781 54.840 -0.005 0.000 0.749 161 L CB -0.263 41.794 42.059 -0.004 0.000 0.901 161 L HN 0.181 nan 8.230 nan 0.000 0.433 162 I N -0.199 120.367 120.570 -0.006 0.000 2.179 162 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 162 I C 2.791 178.903 176.117 -0.009 0.000 1.088 162 I CA 1.217 62.512 61.300 -0.008 0.000 1.357 162 I CB -0.567 37.429 38.000 -0.007 0.000 1.051 162 I HN 0.177 nan 8.210 nan 0.000 0.409 163 A N 0.345 123.161 122.820 -0.007 0.000 1.933 163 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 163 A C 2.253 179.832 177.584 -0.007 0.000 1.175 163 A CA 1.695 53.728 52.037 -0.007 0.000 0.628 163 A CB -0.555 18.442 19.000 -0.005 0.000 0.814 163 A HN 0.457 nan 8.150 nan 0.000 0.444 164 E N -0.561 119.635 120.200 -0.007 0.000 2.152 164 E HA -0.036 4.314 4.350 -0.000 0.000 0.192 164 E C 2.264 178.859 176.600 -0.009 0.000 0.983 164 E CA 0.718 57.114 56.400 -0.007 0.000 0.818 164 E CB -0.187 29.509 29.700 -0.006 0.000 0.758 164 E HN 0.630 nan 8.360 nan 0.000 0.467 165 A N 0.907 123.721 122.820 -0.010 0.000 1.929 165 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 165 A C 2.075 179.651 177.584 -0.014 0.000 1.176 165 A CA 0.976 53.006 52.037 -0.012 0.000 0.628 165 A CB -0.267 18.725 19.000 -0.014 0.000 0.816 165 A HN 0.126 nan 8.150 nan 0.000 0.444 166 M N -1.059 118.532 119.600 -0.014 0.000 2.492 166 M HA -0.062 4.418 4.480 -0.000 0.000 0.262 166 M C 1.222 177.514 176.300 -0.012 0.000 1.090 166 M CA 1.189 56.480 55.300 -0.015 0.000 1.110 166 M CB -0.294 32.297 32.600 -0.015 0.000 1.407 166 M HN 0.338 nan 8.290 nan 0.000 0.470 167 D N 0.371 120.765 120.400 -0.010 0.000 2.347 167 D HA -0.050 4.590 4.640 -0.000 0.000 0.213 167 D C 2.001 178.296 176.300 -0.009 0.000 0.985 167 D CA 0.797 54.792 54.000 -0.009 0.000 0.879 167 D CB 0.431 41.227 40.800 -0.007 0.000 0.919 167 D HN 0.033 nan 8.370 nan 0.000 0.526 168 K N -0.459 119.935 120.400 -0.010 0.000 2.121 168 K HA 0.050 4.370 4.320 -0.000 0.000 0.203 168 K C 1.913 178.506 176.600 -0.010 0.000 1.041 168 K CA 0.883 57.164 56.287 -0.010 0.000 0.969 168 K CB 0.029 32.523 32.500 -0.010 0.000 0.799 168 K HN 0.161 nan 8.250 nan 0.000 0.456 169 V N -2.491 117.416 119.914 -0.012 0.000 3.471 169 V HA 0.352 4.472 4.120 -0.000 0.000 0.258 169 V C 0.845 176.931 176.094 -0.014 0.000 1.192 169 V CA 0.445 62.737 62.300 -0.013 0.000 1.116 169 V CB -0.286 31.528 31.823 -0.015 0.000 0.792 169 V HN 0.390 nan 8.190 nan 0.000 0.459 170 G N 0.931 109.722 108.800 -0.014 0.000 2.566 170 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.599 170 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.599 170 G C 0.006 174.897 174.900 -0.016 0.000 1.292 170 G CA 0.004 45.096 45.100 -0.014 0.000 0.922 170 G HN 0.268 nan 8.290 nan 0.000 0.514 171 K N 0.019 120.410 120.400 -0.015 0.000 2.228 171 K HA 0.058 4.377 4.320 -0.000 0.000 0.202 171 K C 1.823 178.411 176.600 -0.020 0.000 1.051 171 K CA 1.414 57.691 56.287 -0.017 0.000 0.960 171 K CB 0.075 32.567 32.500 -0.014 0.000 0.743 171 K HN 0.465 nan 8.250 nan 0.000 0.458 172 E N 0.649 120.838 120.200 -0.019 0.000 2.447 172 E HA 0.025 4.374 4.350 -0.000 0.000 0.195 172 E C 1.005 177.591 176.600 -0.022 0.000 1.028 172 E CA 0.072 56.459 56.400 -0.020 0.000 0.876 172 E CB 0.223 29.912 29.700 -0.017 0.000 0.885 172 E HN 0.235 nan 8.360 nan 0.000 0.500 173 G N 1.306 110.093 108.800 -0.022 0.000 2.664 173 G HA2 0.214 4.173 3.960 -0.000 0.000 0.242 173 G HA3 0.214 4.173 3.960 -0.000 0.000 0.242 173 G C 0.087 174.970 174.900 -0.028 0.000 1.225 173 G CA -0.434 44.653 45.100 -0.021 0.000 0.849 173 G HN -0.045 nan 8.290 nan 0.000 0.581 174 V N 1.189 121.087 119.914 -0.026 0.000 2.383 174 V HA 0.386 4.506 4.120 -0.000 0.000 0.275 174 V C 0.147 176.221 176.094 -0.034 0.000 1.036 174 V CA -0.211 62.069 62.300 -0.034 0.000 0.889 174 V CB 0.812 32.618 31.823 -0.029 0.000 0.985 174 V HN 0.481 nan 8.190 nan 0.000 0.459 175 I N 4.242 124.786 120.570 -0.043 0.000 2.436 175 I HA 0.600 4.770 4.170 -0.000 0.000 0.289 175 I C -0.048 176.045 176.117 -0.039 0.000 1.010 175 I CA -0.101 61.176 61.300 -0.038 0.000 1.098 175 I CB 2.243 40.219 38.000 -0.039 0.000 1.266 175 I HN 0.561 nan 8.210 nan 0.000 0.434 176 T N 4.569 119.106 114.554 -0.028 0.000 2.900 176 T HA 0.594 4.943 4.350 -0.000 0.000 0.295 176 T C -0.601 174.091 174.700 -0.013 0.000 1.044 176 T CA -0.653 61.434 62.100 -0.022 0.000 0.995 176 T CB 2.509 71.364 68.868 -0.022 0.000 1.072 176 T HN 0.161 nan 8.240 nan 0.000 0.473 177 V N 2.888 122.798 119.914 -0.006 0.000 2.459 177 V HA 0.601 4.721 4.120 -0.000 0.000 0.295 177 V C -0.160 175.933 176.094 -0.000 0.000 1.029 177 V CA -0.627 61.672 62.300 -0.001 0.000 0.874 177 V CB 1.527 33.353 31.823 0.005 0.000 0.985 177 V HN 1.031 nan 8.190 nan 0.000 0.438 178 E N 2.531 122.730 120.200 -0.002 0.000 2.445 178 E HA 0.499 4.849 4.350 -0.000 0.000 0.273 178 E C -1.502 175.097 176.600 -0.002 0.000 0.961 178 E CA -1.126 55.272 56.400 -0.002 0.000 0.807 178 E CB 1.453 31.149 29.700 -0.006 0.000 1.362 178 E HN 0.450 nan 8.360 nan 0.000 0.453 179 D N 0.577 120.975 120.400 -0.003 0.000 2.443 179 D HA 0.152 4.792 4.640 -0.000 0.000 0.239 179 D C 0.171 176.468 176.300 -0.004 0.000 1.136 179 D CA 0.529 54.527 54.000 -0.003 0.000 0.879 179 D CB 1.068 41.866 40.800 -0.003 0.000 1.195 179 D HN 0.536 nan 8.370 nan 0.000 0.443 180 G N -0.155 108.643 108.800 -0.003 0.000 2.537 180 G HA2 0.273 4.233 3.960 -0.000 0.000 0.273 180 G HA3 0.273 4.233 3.960 -0.000 0.000 0.273 180 G C 1.070 175.967 174.900 -0.004 0.000 1.189 180 G CA -0.233 44.865 45.100 -0.004 0.000 0.881 180 G HN 0.454 nan 8.290 nan 0.000 0.535 181 T N -2.237 112.315 114.554 -0.005 0.000 3.031 181 T HA 0.409 4.759 4.350 -0.000 0.000 0.254 181 T C 1.275 175.973 174.700 -0.004 0.000 1.060 181 T CA 1.128 63.225 62.100 -0.005 0.000 1.135 181 T CB 0.245 69.109 68.868 -0.006 0.000 0.896 181 T HN 0.995 nan 8.240 nan 0.000 0.472 182 G N 0.827 109.625 108.800 -0.004 0.000 3.319 182 G HA2 0.458 4.418 3.960 -0.000 0.000 0.158 182 G HA3 0.458 4.418 3.960 -0.000 0.000 0.158 182 G C -0.216 174.682 174.900 -0.003 0.000 1.205 182 G CA -0.014 45.084 45.100 -0.003 0.000 1.252 182 G HN 0.255 nan 8.290 nan 0.000 0.668 183 L N -0.065 121.156 121.223 -0.003 0.000 2.664 183 L HA 0.550 4.890 4.340 -0.000 0.000 0.233 183 L C 0.563 177.432 176.870 -0.003 0.000 1.113 183 L CA 0.536 55.375 54.840 -0.003 0.000 0.896 183 L CB 0.187 42.244 42.059 -0.002 0.000 1.163 183 L HN 0.407 nan 8.230 nan 0.000 0.497 184 Q N 0.088 119.886 119.800 -0.003 0.000 2.377 184 Q HA 0.285 4.625 4.340 -0.000 0.000 0.271 184 Q C -1.175 174.823 176.000 -0.003 0.000 1.077 184 Q CA -0.880 54.921 55.803 -0.003 0.000 0.820 184 Q CB 1.786 30.522 28.738 -0.003 0.000 1.347 184 Q HN 0.081 nan 8.270 nan 0.000 0.444 185 D N 2.690 123.088 120.400 -0.003 0.000 2.371 185 D HA 0.060 4.700 4.640 -0.000 0.000 0.256 185 D C -0.439 175.859 176.300 -0.004 0.000 1.193 185 D CA 0.590 54.588 54.000 -0.004 0.000 0.881 185 D CB 0.836 41.633 40.800 -0.003 0.000 1.143 185 D HN 0.334 nan 8.370 nan 0.000 0.473 186 E N 0.873 121.070 120.200 -0.005 0.000 2.212 186 E HA 0.563 4.913 4.350 -0.000 0.000 0.270 186 E C -0.724 175.872 176.600 -0.006 0.000 0.956 186 E CA -1.031 55.366 56.400 -0.005 0.000 0.825 186 E CB 2.302 31.998 29.700 -0.006 0.000 1.167 186 E HN 0.108 nan 8.360 nan 0.000 0.400 187 L N 2.706 123.925 121.223 -0.006 0.000 2.555 187 L HA 0.356 4.696 4.340 -0.000 0.000 0.264 187 L C -1.907 174.959 176.870 -0.008 0.000 0.972 187 L CA -0.273 54.563 54.840 -0.007 0.000 0.876 187 L CB 1.299 43.354 42.059 -0.007 0.000 1.216 187 L HN 0.385 nan 8.230 nan 0.000 0.415 188 D N 3.573 123.967 120.400 -0.008 0.000 2.433 188 D HA 0.555 5.195 4.640 -0.000 0.000 0.236 188 D C -0.873 175.422 176.300 -0.009 0.000 1.026 188 D CA -0.290 53.705 54.000 -0.008 0.000 0.884 188 D CB 2.959 43.754 40.800 -0.009 0.000 1.384 188 D HN 0.201 nan 8.370 nan 0.000 0.477 189 V N 1.500 121.409 119.914 -0.009 0.000 2.313 189 V HA 0.307 4.427 4.120 -0.000 0.000 0.278 189 V C 0.323 176.412 176.094 -0.008 0.000 1.017 189 V CA -0.700 61.595 62.300 -0.009 0.000 0.823 189 V CB 1.103 32.921 31.823 -0.009 0.000 1.010 189 V HN 0.418 nan 8.190 nan 0.000 0.443 190 V N 1.630 121.539 119.914 -0.009 0.000 2.850 190 V HA 0.648 4.768 4.120 -0.000 0.000 0.315 190 V C 0.084 176.174 176.094 -0.006 0.000 1.064 190 V CA -0.985 61.310 62.300 -0.008 0.000 0.979 190 V CB 1.931 33.748 31.823 -0.010 0.000 1.039 190 V HN 0.674 nan 8.190 nan 0.000 0.452 191 E N 2.319 122.515 120.200 -0.005 0.000 2.238 191 E HA 0.496 4.846 4.350 -0.000 0.000 0.264 191 E C 0.274 176.875 176.600 0.001 0.000 1.136 191 E CA 0.639 57.038 56.400 -0.002 0.000 0.929 191 E CB 0.741 30.440 29.700 -0.002 0.000 1.010 191 E HN 1.082 nan 8.360 nan 0.000 0.440 192 G N 1.702 110.505 108.800 0.005 0.000 2.721 192 G HA2 0.691 4.651 3.960 -0.000 0.000 0.296 192 G HA3 0.691 4.651 3.960 -0.000 0.000 0.296 192 G C -1.146 173.768 174.900 0.024 0.000 1.383 192 G CA -0.636 44.472 45.100 0.013 0.000 0.788 192 G HN 0.371 nan 8.290 nan 0.000 0.500 193 M N -0.027 119.597 119.600 0.040 0.000 2.520 193 M HA 0.494 4.973 4.480 -0.000 0.000 0.280 193 M C -2.070 174.274 176.300 0.072 0.000 1.232 193 M CA -0.625 54.715 55.300 0.068 0.000 0.892 193 M CB 2.708 35.371 32.600 0.105 0.000 1.728 193 M HN 0.628 nan 8.290 nan 0.000 0.475 194 Q N 3.615 123.454 119.800 0.066 0.000 2.304 194 Q HA 0.628 4.968 4.340 -0.000 0.000 0.270 194 Q C -2.102 173.943 176.000 0.075 0.000 1.035 194 Q CA -0.615 55.182 55.803 -0.011 0.000 0.781 194 Q CB 1.976 30.677 28.738 -0.062 0.000 1.261 194 Q HN 0.591 nan 8.270 nan 0.000 0.444 195 F N -0.026 119.914 119.950 -0.017 0.000 2.579 195 F HA 0.560 5.086 4.527 -0.000 0.000 0.324 195 F C -0.669 175.121 175.800 -0.016 0.000 1.058 195 F CA -1.240 56.751 58.000 -0.015 0.000 0.944 195 F CB 1.087 40.081 39.000 -0.010 0.000 1.245 195 F HN 0.354 nan 8.300 nan 0.000 0.477 196 D N 1.932 122.438 120.400 0.175 0.000 2.845 196 D HA 0.270 4.910 4.640 -0.000 0.000 0.235 196 D C -0.418 175.955 176.300 0.121 0.000 1.158 196 D CA 0.012 54.057 54.000 0.075 0.000 0.990 196 D CB -0.036 40.807 40.800 0.072 0.000 1.094 196 D HN 0.209 nan 8.370 nan 0.000 0.486 197 R N 0.370 120.938 120.500 0.113 0.000 2.651 197 R HA 0.670 5.010 4.340 -0.000 0.000 0.278 197 R C 0.160 176.446 176.300 -0.022 0.000 1.010 197 R CA -0.792 55.390 56.100 0.136 0.000 0.896 197 R CB 2.094 32.607 30.300 0.355 0.000 1.211 197 R HN 0.306 nan 8.270 nan 0.000 0.456 198 G N 0.896 109.662 108.800 -0.056 0.000 2.552 198 G HA2 0.456 4.416 3.960 -0.000 0.000 0.318 198 G HA3 0.456 4.416 3.960 -0.000 0.000 0.318 198 G C -0.649 174.202 174.900 -0.081 0.000 1.240 198 G CA -0.465 44.495 45.100 -0.233 0.000 1.002 198 G HN 0.419 nan 8.290 nan 0.000 0.493 199 Y N -1.262 119.090 120.300 0.086 0.000 2.426 199 Y HA 0.368 4.918 4.550 0.000 0.000 0.344 199 Y C 1.316 177.296 175.900 0.134 0.000 1.256 199 Y CA -1.210 56.975 58.100 0.142 0.000 1.451 199 Y CB 0.429 39.011 38.460 0.203 0.000 1.342 199 Y HN 0.279 nan 8.280 nan 0.000 0.600 200 L N 0.342 121.807 121.223 0.404 0.000 2.298 200 L HA 0.149 4.489 4.340 -0.000 0.000 0.209 200 L C 0.675 177.659 176.870 0.190 0.000 1.084 200 L CA 0.672 55.671 54.840 0.264 0.000 0.816 200 L CB 0.202 42.388 42.059 0.212 0.000 0.967 200 L HN 0.737 nan 8.230 nan 0.000 0.460 201 S N -0.700 115.101 115.700 0.168 0.000 2.478 201 S HA 0.393 4.863 4.470 -0.000 0.000 0.312 201 S C -1.871 172.453 174.600 -0.461 0.000 1.094 201 S CA -1.471 56.618 58.200 -0.185 0.000 1.081 201 S CB 1.362 64.298 63.200 -0.440 0.000 1.007 201 S HN -0.021 nan 8.310 nan 0.000 0.475 202 P HA 0.025 nan 4.420 nan 0.000 0.233 202 P C 0.013 176.893 177.300 -0.701 0.000 1.167 202 P CA 0.539 63.191 63.100 -0.747 0.000 0.770 202 P CB -0.037 31.342 31.700 -0.536 0.000 0.837 203 Y N -1.364 118.613 120.300 -0.538 0.000 2.596 203 Y HA 0.235 4.785 4.550 -0.000 0.000 0.316 203 Y C 1.148 176.814 175.900 -0.391 0.000 1.156 203 Y CA -0.335 57.519 58.100 -0.410 0.000 1.300 203 Y CB -0.924 37.335 38.460 -0.336 0.000 1.130 203 Y HN -0.176 nan 8.280 nan 0.000 0.518 204 F N -0.631 119.269 119.950 -0.083 0.000 2.727 204 F HA 0.217 4.744 4.527 -0.000 0.000 0.302 204 F C 0.760 176.542 175.800 -0.030 0.000 1.097 204 F CA -0.753 57.220 58.000 -0.045 0.000 1.330 204 F CB -0.319 38.652 39.000 -0.048 0.000 1.084 204 F HN -0.128 nan 8.300 nan 0.000 0.578 205 I N 1.968 122.591 120.570 0.089 0.000 2.517 205 I HA -0.024 4.145 4.170 -0.000 0.000 0.285 205 I C 0.845 177.006 176.117 0.074 0.000 1.106 205 I CA 0.042 61.385 61.300 0.071 0.000 1.402 205 I CB 0.407 38.421 38.000 0.023 0.000 1.399 205 I HN 0.107 nan 8.210 nan 0.000 0.535 206 N N 4.707 123.449 118.700 0.069 0.000 2.282 206 N HA 0.007 4.747 4.740 -0.000 0.000 0.185 206 N C 0.177 175.707 175.510 0.032 0.000 1.099 206 N CA 0.248 53.328 53.050 0.049 0.000 0.878 206 N CB 0.376 38.892 38.487 0.047 0.000 0.993 206 N HN 0.307 nan 8.380 nan 0.000 0.481 207 K N 1.193 121.614 120.400 0.034 0.000 2.423 207 K HA 0.291 4.611 4.320 -0.000 0.000 0.234 207 K C -2.051 174.563 176.600 0.024 0.000 1.051 207 K CA -1.776 54.525 56.287 0.024 0.000 1.021 207 K CB 2.086 34.599 32.500 0.023 0.000 1.474 207 K HN 0.028 nan 8.250 nan 0.000 0.474 208 P HA -0.081 nan 4.420 nan 0.000 0.217 208 P C 0.738 178.044 177.300 0.010 0.000 1.151 208 P CA 1.019 64.129 63.100 0.017 0.000 0.828 208 P CB 0.471 32.180 31.700 0.016 0.000 0.788 209 E N -1.002 119.202 120.200 0.006 0.000 2.204 209 E HA -0.086 4.263 4.350 -0.000 0.000 0.194 209 E C 1.604 178.203 176.600 -0.001 0.000 0.989 209 E CA 1.296 57.696 56.400 0.000 0.000 0.824 209 E CB -0.495 29.205 29.700 -0.001 0.000 0.756 209 E HN 0.295 nan 8.360 nan 0.000 0.477 210 T N -0.809 113.749 114.554 0.006 0.000 2.812 210 T HA 0.001 4.351 4.350 -0.000 0.000 0.264 210 T C 1.512 176.219 174.700 0.013 0.000 1.042 210 T CA 0.975 63.080 62.100 0.009 0.000 1.140 210 T CB -0.149 68.729 68.868 0.017 0.000 0.870 210 T HN 0.408 nan 8.240 nan 0.000 0.445 211 G N 1.411 110.225 108.800 0.024 0.000 2.137 211 G HA2 0.085 4.045 3.960 -0.000 0.000 0.237 211 G HA3 0.085 4.045 3.960 -0.000 0.000 0.237 211 G C 0.021 174.967 174.900 0.077 0.000 1.002 211 G CA 0.016 45.141 45.100 0.041 0.000 0.702 211 G HN 0.993 nan 8.290 nan 0.000 0.515 212 A N -1.377 121.486 122.820 0.072 0.000 2.527 212 A HA 0.917 5.237 4.320 -0.000 0.000 0.293 212 A C -0.367 177.268 177.584 0.084 0.000 1.117 212 A CA -0.180 51.910 52.037 0.088 0.000 0.723 212 A CB 1.953 20.987 19.000 0.057 0.000 1.313 212 A HN 1.302 nan 8.150 nan 0.000 0.411 213 V N 1.114 121.085 119.914 0.095 0.000 2.472 213 V HA 0.501 4.621 4.120 -0.000 0.000 0.290 213 V C 0.123 176.245 176.094 0.046 0.000 1.037 213 V CA -0.439 61.910 62.300 0.081 0.000 0.908 213 V CB 1.420 33.309 31.823 0.109 0.000 0.985 213 V HN 0.881 nan 8.190 nan 0.000 0.454 214 E N 4.970 125.191 120.200 0.035 0.000 2.145 214 E HA 0.526 4.876 4.350 -0.000 0.000 0.262 214 E C -1.652 174.955 176.600 0.012 0.000 0.883 214 E CA -0.549 55.862 56.400 0.018 0.000 0.748 214 E CB 1.273 30.982 29.700 0.015 0.000 1.140 214 E HN 0.678 nan 8.360 nan 0.000 0.417 215 L N 4.538 125.762 121.223 0.002 0.000 2.417 215 L HA 0.384 4.724 4.340 -0.000 0.000 0.259 215 L C -0.104 176.755 176.870 -0.019 0.000 1.023 215 L CA -0.567 54.270 54.840 -0.005 0.000 0.901 215 L CB 1.475 43.531 42.059 -0.006 0.000 1.227 215 L HN 0.440 nan 8.230 nan 0.000 0.454 216 E N 1.606 121.794 120.200 -0.021 0.000 2.344 216 E HA 0.160 4.510 4.350 -0.000 0.000 0.270 216 E C 0.028 176.593 176.600 -0.059 0.000 1.021 216 E CA -0.108 56.271 56.400 -0.035 0.000 0.887 216 E CB 0.738 30.423 29.700 -0.026 0.000 0.997 216 E HN 0.569 nan 8.360 nan 0.000 0.429 217 S N 2.241 117.889 115.700 -0.087 0.000 3.527 217 S HA -0.119 4.351 4.470 -0.000 0.000 0.409 217 S C -2.392 172.076 174.600 -0.219 0.000 0.900 217 S CA 0.021 58.127 58.200 -0.155 0.000 1.320 217 S CB -1.175 61.935 63.200 -0.151 0.000 0.915 217 S HN 0.425 nan 8.310 nan 0.000 0.575 218 P HA 0.667 nan 4.420 nan 0.000 0.296 218 P C -0.155 177.016 177.300 -0.216 0.000 1.301 218 P CA -0.765 62.248 63.100 -0.145 0.000 0.862 218 P CB 0.559 32.231 31.700 -0.047 0.000 1.046 219 F N 1.692 121.640 119.950 -0.004 0.000 2.378 219 F HA 0.451 4.978 4.527 -0.000 0.000 0.319 219 F C 0.926 176.725 175.800 -0.001 0.000 1.155 219 F CA 0.042 58.041 58.000 -0.002 0.000 1.157 219 F CB 0.503 39.501 39.000 -0.004 0.000 1.252 219 F HN 0.081 nan 8.300 nan 0.000 0.550 220 I N 2.368 123.062 120.570 0.207 0.000 2.569 220 I HA 0.307 4.477 4.170 -0.000 0.000 0.290 220 I C -1.443 174.725 176.117 0.085 0.000 1.088 220 I CA -0.686 60.680 61.300 0.111 0.000 1.047 220 I CB 2.095 40.141 38.000 0.076 0.000 1.237 220 I HN 0.321 nan 8.210 nan 0.000 0.421 221 L N 7.602 128.859 121.223 0.058 0.000 2.334 221 L HA 0.735 5.074 4.340 -0.000 0.000 0.276 221 L C -1.611 175.272 176.870 0.021 0.000 1.014 221 L CA -0.215 54.645 54.840 0.034 0.000 0.815 221 L CB 1.532 43.605 42.059 0.023 0.000 1.268 221 L HN 0.478 nan 8.230 nan 0.000 0.428 222 L N 5.134 126.362 121.223 0.010 0.000 2.409 222 L HA 0.909 5.249 4.340 -0.000 0.000 0.272 222 L C -0.809 176.059 176.870 -0.004 0.000 0.980 222 L CA -0.538 54.300 54.840 -0.004 0.000 0.826 222 L CB 1.888 43.938 42.059 -0.014 0.000 1.268 222 L HN 0.819 nan 8.230 nan 0.000 0.407 223 A N 1.236 124.053 122.820 -0.005 0.000 2.459 223 A HA 0.486 4.806 4.320 -0.000 0.000 0.296 223 A C -1.070 176.513 177.584 -0.002 0.000 1.039 223 A CA -0.461 51.575 52.037 -0.002 0.000 0.698 223 A CB 1.531 20.533 19.000 0.005 0.000 1.261 223 A HN 0.646 nan 8.150 nan 0.000 0.405 224 D N 1.619 122.018 120.400 -0.002 0.000 3.168 224 D HA 0.400 5.040 4.640 -0.000 0.000 0.255 224 D C -0.247 176.058 176.300 0.007 0.000 1.314 224 D CA 0.239 54.239 54.000 -0.000 0.000 0.900 224 D CB -0.326 40.472 40.800 -0.004 0.000 1.072 224 D HN 0.521 nan 8.370 nan 0.000 0.487 225 K N -1.279 119.127 120.400 0.011 0.000 2.575 225 K HA 0.420 4.739 4.320 -0.000 0.000 0.279 225 K C -0.612 176.000 176.600 0.020 0.000 0.969 225 K CA -0.912 55.383 56.287 0.015 0.000 0.868 225 K CB 0.985 33.492 32.500 0.012 0.000 1.457 225 K HN -0.275 nan 8.250 nan 0.000 0.426 226 K N 1.061 121.474 120.400 0.022 0.000 2.355 226 K HA 0.294 4.614 4.320 -0.000 0.000 0.270 226 K C -0.361 176.253 176.600 0.024 0.000 1.003 226 K CA -0.122 56.180 56.287 0.025 0.000 0.957 226 K CB 0.273 32.788 32.500 0.024 0.000 0.939 226 K HN 0.548 nan 8.250 nan 0.000 0.482 227 I N 0.930 121.518 120.570 0.029 0.000 2.406 227 I HA 0.143 4.313 4.170 -0.000 0.000 0.290 227 I C 0.318 176.453 176.117 0.030 0.000 0.999 227 I CA -0.246 61.072 61.300 0.029 0.000 1.124 227 I CB 2.022 40.041 38.000 0.032 0.000 1.289 227 I HN 0.512 nan 8.210 nan 0.000 0.441 228 S N 2.993 118.708 115.700 0.025 0.000 2.733 228 S HA 0.237 4.707 4.470 -0.000 0.000 0.270 228 S C 0.132 174.745 174.600 0.021 0.000 1.062 228 S CA -0.346 57.868 58.200 0.024 0.000 1.256 228 S CB 0.281 63.493 63.200 0.021 0.000 1.187 228 S HN 0.619 nan 8.310 nan 0.000 0.666 229 N N 1.164 119.875 118.700 0.019 0.000 2.321 229 N HA 0.407 5.147 4.740 -0.000 0.000 0.299 229 N C -0.263 175.257 175.510 0.017 0.000 1.048 229 N CA -0.415 52.644 53.050 0.016 0.000 0.836 229 N CB 2.055 40.549 38.487 0.012 0.000 1.269 229 N HN -0.017 nan 8.380 nan 0.000 0.486 230 I N 2.177 122.756 120.570 0.016 0.000 3.564 230 I HA 0.037 4.207 4.170 -0.000 0.000 0.294 230 I C 2.257 178.380 176.117 0.009 0.000 1.289 230 I CA 0.501 61.810 61.300 0.015 0.000 1.325 230 I CB -0.255 37.755 38.000 0.016 0.000 1.039 230 I HN 0.503 nan 8.210 nan 0.000 0.474 231 R N 0.918 121.423 120.500 0.008 0.000 2.075 231 R HA -0.109 4.231 4.340 -0.000 0.000 0.232 231 R C 1.532 177.834 176.300 0.003 0.000 1.126 231 R CA 1.566 57.669 56.100 0.005 0.000 0.963 231 R CB -0.187 30.115 30.300 0.005 0.000 0.858 231 R HN 0.405 nan 8.270 nan 0.000 0.435 232 E N -0.371 119.832 120.200 0.004 0.000 2.485 232 E HA -0.053 4.296 4.350 -0.000 0.000 0.194 232 E C 0.732 177.332 176.600 0.000 0.000 1.098 232 E CA 0.104 56.506 56.400 0.002 0.000 0.878 232 E CB 0.324 30.027 29.700 0.005 0.000 0.939 232 E HN 0.401 nan 8.360 nan 0.000 0.503 233 M N -0.734 118.867 119.600 0.001 0.000 2.338 233 M HA 0.115 4.595 4.480 -0.000 0.000 0.276 233 M C 1.851 178.147 176.300 -0.007 0.000 1.057 233 M CA 0.220 55.519 55.300 -0.001 0.000 1.079 233 M CB -0.062 32.542 32.600 0.006 0.000 1.547 233 M HN 0.172 nan 8.290 nan 0.000 0.549 234 L N 1.747 122.967 121.223 -0.006 0.000 2.017 234 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 234 L C -0.380 176.481 176.870 -0.016 0.000 1.073 234 L CA 1.860 56.695 54.840 -0.009 0.000 0.745 234 L CB -1.316 40.739 42.059 -0.006 0.000 0.894 234 L HN 0.142 nan 8.230 nan 0.000 0.432 235 P HA -0.049 nan 4.420 nan 0.000 0.229 235 P C 1.452 178.732 177.300 -0.032 0.000 1.160 235 P CA 0.989 64.076 63.100 -0.022 0.000 0.777 235 P CB 0.299 31.988 31.700 -0.018 0.000 0.814 236 V N -0.374 119.521 119.914 -0.032 0.000 2.672 236 V HA -0.022 4.098 4.120 -0.000 0.000 0.242 236 V C 2.641 178.700 176.094 -0.059 0.000 1.059 236 V CA 0.834 63.107 62.300 -0.045 0.000 1.081 236 V CB -0.981 30.822 31.823 -0.033 0.000 0.752 236 V HN -0.044 nan 8.190 nan 0.000 0.472 237 L N -0.035 121.163 121.223 -0.042 0.000 2.217 237 L HA -0.063 4.276 4.340 -0.000 0.000 0.211 237 L C 2.362 179.203 176.870 -0.048 0.000 1.107 237 L CA 1.347 56.163 54.840 -0.041 0.000 0.783 237 L CB -0.429 41.618 42.059 -0.021 0.000 0.919 237 L HN 0.366 nan 8.230 nan 0.000 0.442 238 E N -0.152 120.023 120.200 -0.043 0.000 2.478 238 E HA -0.085 4.265 4.350 -0.000 0.000 0.198 238 E C 1.889 178.455 176.600 -0.055 0.000 1.046 238 E CA 0.652 57.028 56.400 -0.040 0.000 0.870 238 E CB 0.153 29.836 29.700 -0.029 0.000 0.818 238 E HN 0.492 nan 8.360 nan 0.000 0.527 239 A N 0.095 122.867 122.820 -0.081 0.000 2.035 239 A HA 0.046 4.366 4.320 -0.000 0.000 0.208 239 A C 2.105 179.587 177.584 -0.171 0.000 1.206 239 A CA 0.014 51.985 52.037 -0.110 0.000 0.773 239 A CB 0.291 19.222 19.000 -0.116 0.000 0.878 239 A HN 0.089 nan 8.150 nan 0.000 0.469 240 V N 0.213 120.011 119.914 -0.192 0.000 3.041 240 V HA -0.055 4.065 4.120 -0.000 0.000 0.260 240 V C 2.684 178.703 176.094 -0.126 0.000 1.105 240 V CA 1.306 63.446 62.300 -0.267 0.000 1.125 240 V CB -0.663 31.020 31.823 -0.233 0.000 0.730 240 V HN 0.536 nan 8.190 nan 0.000 0.479 241 A N -0.170 122.606 122.820 -0.073 0.000 2.172 241 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 241 A C 1.441 179.016 177.584 -0.014 0.000 1.154 241 A CA 0.600 52.621 52.037 -0.028 0.000 0.701 241 A CB -0.295 18.692 19.000 -0.022 0.000 0.789 241 A HN 0.494 nan 8.150 nan 0.000 0.465 242 K N 0.727 121.108 120.400 -0.032 0.000 2.379 242 K HA 0.420 4.740 4.320 -0.000 0.000 0.284 242 K C 0.002 176.624 176.600 0.037 0.000 1.044 242 K CA 0.398 56.681 56.287 -0.007 0.000 0.974 242 K CB -0.054 32.432 32.500 -0.024 0.000 0.962 242 K HN 1.066 nan 8.250 nan 0.000 0.474 243 A N 2.591 125.440 122.820 0.048 0.000 2.435 243 A HA -0.102 4.218 4.320 -0.000 0.000 0.686 243 A C 0.416 178.047 177.584 0.078 0.000 0.138 243 A CA 0.180 52.260 52.037 0.071 0.000 0.024 243 A CB -1.285 17.781 19.000 0.109 0.000 3.974 243 A HN 1.033 nan 8.150 nan 0.000 0.548 244 G N 1.812 110.647 108.800 0.058 0.000 3.284 244 G HA2 0.427 4.387 3.960 -0.000 0.000 0.251 244 G HA3 0.427 4.387 3.960 -0.000 0.000 0.251 244 G C 0.169 175.103 174.900 0.057 0.000 0.913 244 G CA 0.608 45.737 45.100 0.049 0.000 1.947 244 G HN 0.764 nan 8.290 nan 0.000 0.635 245 K N 1.742 122.199 120.400 0.096 0.000 2.376 245 K HA 0.371 4.691 4.320 -0.000 0.000 0.257 245 K C -2.250 174.424 176.600 0.124 0.000 0.939 245 K CA -1.728 54.618 56.287 0.099 0.000 0.809 245 K CB 2.561 35.134 32.500 0.121 0.000 1.121 245 K HN 0.091 nan 8.250 nan 0.000 0.425 246 P HA 0.040 nan 4.420 nan 0.000 0.271 246 P C -1.091 176.271 177.300 0.104 0.000 1.244 246 P CA -0.532 62.606 63.100 0.063 0.000 0.793 246 P CB 0.597 32.311 31.700 0.023 0.000 0.984 247 L N 0.912 122.176 121.223 0.069 0.000 2.408 247 L HA 0.562 4.902 4.340 -0.000 0.000 0.268 247 L C -1.440 175.443 176.870 0.021 0.000 0.986 247 L CA -0.989 53.904 54.840 0.089 0.000 0.820 247 L CB 1.762 43.867 42.059 0.077 0.000 1.303 247 L HN 0.184 nan 8.230 nan 0.000 0.411 248 L N 5.752 126.999 121.223 0.041 0.000 2.305 248 L HA 0.637 4.977 4.340 -0.000 0.000 0.284 248 L C -1.176 175.708 176.870 0.025 0.000 1.013 248 L CA -0.227 54.621 54.840 0.013 0.000 0.819 248 L CB 1.187 43.265 42.059 0.032 0.000 1.227 248 L HN 0.441 nan 8.230 nan 0.000 0.417 249 I N 6.812 127.383 120.570 0.001 0.000 2.336 249 I HA 0.357 4.527 4.170 -0.000 0.000 0.292 249 I C -0.229 175.913 176.117 0.041 0.000 0.991 249 I CA -0.322 60.988 61.300 0.017 0.000 1.227 249 I CB 1.133 39.135 38.000 0.004 0.000 1.366 249 I HN 0.545 nan 8.210 nan 0.000 0.466 250 I N 5.612 126.207 120.570 0.042 0.000 2.411 250 I HA 0.683 4.853 4.170 -0.000 0.000 0.284 250 I C 0.053 176.179 176.117 0.014 0.000 1.012 250 I CA -0.329 60.995 61.300 0.041 0.000 1.119 250 I CB 1.712 39.727 38.000 0.025 0.000 1.261 250 I HN 0.682 nan 8.210 nan 0.000 0.448 251 A N 4.406 127.241 122.820 0.025 0.000 2.530 251 A HA 0.486 4.805 4.320 -0.000 0.000 0.288 251 A C 0.726 178.323 177.584 0.022 0.000 1.172 251 A CA -0.532 51.517 52.037 0.019 0.000 0.733 251 A CB 1.644 20.661 19.000 0.029 0.000 1.320 251 A HN 0.745 nan 8.150 nan 0.000 0.419 252 E N -0.253 119.959 120.200 0.020 0.000 2.049 252 E HA -0.161 4.189 4.350 -0.000 0.000 0.198 252 E C -0.493 176.133 176.600 0.043 0.000 1.007 252 E CA 1.666 58.083 56.400 0.028 0.000 0.809 252 E CB 0.107 29.823 29.700 0.026 0.000 0.749 252 E HN 0.610 nan 8.360 nan 0.000 0.450 253 D N -1.765 118.662 120.400 0.045 0.000 2.663 253 D HA 0.215 4.854 4.640 -0.000 0.000 0.233 253 D C -1.652 174.682 176.300 0.056 0.000 1.240 253 D CA -0.428 53.605 54.000 0.055 0.000 0.774 253 D CB 2.541 43.370 40.800 0.048 0.000 1.443 253 D HN -0.117 nan 8.370 nan 0.000 0.441 254 V N 1.838 121.794 119.914 0.069 0.000 2.385 254 V HA 0.407 4.527 4.120 -0.000 0.000 0.277 254 V C -0.537 175.601 176.094 0.073 0.000 1.012 254 V CA -0.484 61.859 62.300 0.072 0.000 0.832 254 V CB 1.456 33.334 31.823 0.091 0.000 1.028 254 V HN 0.395 nan 8.190 nan 0.000 0.436 255 E N 2.169 122.403 120.200 0.056 0.000 2.308 255 E HA 0.742 5.092 4.350 -0.000 0.000 0.275 255 E C 0.381 177.005 176.600 0.039 0.000 0.890 255 E CA 0.087 56.517 56.400 0.049 0.000 0.754 255 E CB 2.735 32.461 29.700 0.043 0.000 1.207 255 E HN 0.815 nan 8.360 nan 0.000 0.426 256 G N 2.204 111.026 108.800 0.037 0.000 2.637 256 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.211 256 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.211 256 G C 0.634 175.551 174.900 0.029 0.000 1.213 256 G CA 0.105 45.222 45.100 0.029 0.000 1.207 256 G HN 0.524 nan 8.290 nan 0.000 0.559 257 E N 0.943 121.159 120.200 0.026 0.000 2.112 257 E HA 0.115 4.465 4.350 -0.000 0.000 0.190 257 E C 2.754 179.373 176.600 0.032 0.000 0.979 257 E CA 1.612 58.027 56.400 0.025 0.000 0.814 257 E CB -0.244 29.467 29.700 0.020 0.000 0.762 257 E HN 0.785 nan 8.360 nan 0.000 0.460 258 A N 1.184 124.025 122.820 0.036 0.000 2.015 258 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 258 A C 2.122 179.742 177.584 0.061 0.000 1.163 258 A CA 0.899 52.962 52.037 0.043 0.000 0.646 258 A CB -0.431 18.593 19.000 0.040 0.000 0.806 258 A HN 0.315 nan 8.150 nan 0.000 0.448 259 L N -0.232 121.030 121.223 0.063 0.000 1.973 259 L HA 0.015 4.355 4.340 -0.000 0.000 0.208 259 L C 2.624 179.542 176.870 0.079 0.000 1.073 259 L CA 2.317 57.207 54.840 0.083 0.000 0.746 259 L CB -0.749 41.352 42.059 0.069 0.000 0.891 259 L HN 0.266 nan 8.230 nan 0.000 0.433 260 A N -1.625 121.226 122.820 0.051 0.000 2.070 260 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 260 A C 2.143 179.751 177.584 0.040 0.000 1.159 260 A CA 1.951 54.010 52.037 0.037 0.000 0.656 260 A CB -1.149 17.864 19.000 0.022 0.000 0.800 260 A HN 0.598 nan 8.150 nan 0.000 0.453 261 T N 0.338 114.920 114.554 0.048 0.000 2.777 261 T HA -0.031 4.319 4.350 -0.000 0.000 0.266 261 T C 1.539 176.280 174.700 0.067 0.000 1.040 261 T CA 1.437 63.565 62.100 0.046 0.000 1.141 261 T CB -0.263 68.629 68.868 0.040 0.000 0.868 261 T HN 0.424 nan 8.240 nan 0.000 0.444 262 L N 0.515 121.799 121.223 0.102 0.000 2.567 262 L HA 0.185 4.525 4.340 -0.000 0.000 0.225 262 L C 2.290 179.310 176.870 0.250 0.000 1.119 262 L CA -0.016 54.920 54.840 0.160 0.000 0.871 262 L CB -0.284 41.873 42.059 0.164 0.000 1.036 262 L HN 0.086 nan 8.230 nan 0.000 0.459 263 V N -0.306 119.696 119.914 0.146 0.000 2.283 263 V HA -0.180 3.940 4.120 -0.000 0.000 0.243 263 V C 2.177 178.275 176.094 0.005 0.000 1.039 263 V CA 1.665 63.986 62.300 0.035 0.000 1.016 263 V CB 0.187 31.998 31.823 -0.020 0.000 0.650 263 V HN 0.235 nan 8.190 nan 0.000 0.449 264 V N -0.672 119.250 119.914 0.013 0.000 2.795 264 V HA -0.021 4.099 4.120 -0.000 0.000 0.243 264 V C 2.017 178.118 176.094 0.012 0.000 1.069 264 V CA 1.091 63.381 62.300 -0.016 0.000 1.089 264 V CB -0.730 31.075 31.823 -0.030 0.000 0.756 264 V HN 0.488 nan 8.190 nan 0.000 0.471 265 N N 1.156 119.878 118.700 0.037 0.000 2.223 265 N HA -0.150 4.590 4.740 -0.000 0.000 0.185 265 N C 1.931 177.474 175.510 0.055 0.000 1.016 265 N CA 2.068 55.141 53.050 0.038 0.000 0.863 265 N CB 0.067 38.577 38.487 0.038 0.000 0.983 265 N HN 0.692 nan 8.380 nan 0.000 0.429 266 T N -2.071 112.542 114.554 0.099 0.000 3.057 266 T HA 0.115 4.464 4.350 -0.000 0.000 0.254 266 T C 1.789 176.565 174.700 0.125 0.000 1.094 266 T CA -0.018 62.156 62.100 0.123 0.000 1.088 266 T CB 0.148 69.126 68.868 0.183 0.000 0.934 266 T HN 0.028 nan 8.240 nan 0.000 0.497 267 M N 0.258 119.915 119.600 0.094 0.000 2.254 267 M HA 0.137 4.617 4.480 -0.000 0.000 0.265 267 M C 2.503 178.805 176.300 0.003 0.000 1.066 267 M CA 1.022 56.346 55.300 0.039 0.000 1.123 267 M CB 0.018 32.590 32.600 -0.046 0.000 1.388 267 M HN 0.156 nan 8.290 nan 0.000 0.425 268 R N -1.058 119.442 120.500 -0.000 0.000 2.052 268 R HA 0.056 4.396 4.340 -0.000 0.000 0.226 268 R C 1.656 177.957 176.300 0.001 0.000 1.145 268 R CA 1.451 57.544 56.100 -0.012 0.000 0.952 268 R CB -0.011 30.280 30.300 -0.014 0.000 0.847 268 R HN 0.555 nan 8.270 nan 0.000 0.431 269 G N -0.508 108.300 108.800 0.014 0.000 3.976 269 G HA2 0.012 3.972 3.960 -0.000 0.000 0.178 269 G HA3 0.012 3.972 3.960 -0.000 0.000 0.178 269 G C 0.089 175.002 174.900 0.022 0.000 0.859 269 G CA -0.635 44.475 45.100 0.017 0.000 0.895 269 G HN 0.038 nan 8.290 nan 0.000 0.390 270 I N 3.204 123.785 120.570 0.020 0.000 2.948 270 I HA 0.185 4.355 4.170 -0.000 0.000 0.284 270 I C 0.615 176.748 176.117 0.026 0.000 1.181 270 I CA 0.305 61.617 61.300 0.019 0.000 1.372 270 I CB -0.010 37.999 38.000 0.016 0.000 1.443 270 I HN 0.050 nan 8.210 nan 0.000 0.554 271 V N 4.472 124.400 119.914 0.023 0.000 4.273 271 V HA -0.239 3.881 4.120 -0.000 0.000 0.450 271 V C 0.539 176.650 176.094 0.029 0.000 0.683 271 V CA 0.474 62.788 62.300 0.024 0.000 1.815 271 V CB -1.248 30.586 31.823 0.018 0.000 2.190 271 V HN 0.833 nan 8.190 nan 0.000 0.492 272 K N 4.289 124.707 120.400 0.030 0.000 2.395 272 K HA 0.467 4.787 4.320 -0.000 0.000 0.283 272 K C -0.477 176.123 176.600 0.000 0.000 1.068 272 K CA 0.207 56.511 56.287 0.027 0.000 1.039 272 K CB 0.624 33.141 32.500 0.028 0.000 0.924 272 K HN 0.557 nan 8.250 nan 0.000 0.468 273 V N 2.433 122.326 119.914 -0.036 0.000 3.049 273 V HA 0.848 4.968 4.120 -0.000 0.000 0.309 273 V C -0.927 174.926 176.094 -0.402 0.000 1.148 273 V CA -0.849 61.375 62.300 -0.127 0.000 0.990 273 V CB 2.026 33.805 31.823 -0.075 0.000 1.039 273 V HN 0.837 nan 8.190 nan 0.000 0.430 274 A N 1.932 124.452 122.820 -0.500 0.000 2.539 274 A HA 1.034 5.354 4.320 -0.000 0.000 0.296 274 A C -0.858 176.447 177.584 -0.465 0.000 1.073 274 A CA -0.203 51.250 52.037 -0.974 0.000 0.700 274 A CB 2.040 20.621 19.000 -0.699 0.000 1.296 274 A HN 1.806 nan 8.150 nan 0.000 0.405 275 A N 0.502 123.104 122.820 -0.363 0.000 2.374 275 A HA 0.777 5.097 4.320 -0.000 0.000 0.305 275 A C -0.349 177.304 177.584 0.114 0.000 1.053 275 A CA -0.089 51.929 52.037 -0.032 0.000 0.726 275 A CB 1.116 20.141 19.000 0.040 0.000 1.229 275 A HN 2.230 nan 8.150 nan 0.000 0.431 276 V N -0.361 119.630 119.914 0.129 0.000 3.046 276 V HA 0.644 4.764 4.120 -0.000 0.000 0.316 276 V C -0.071 176.122 176.094 0.164 0.000 1.104 276 V CA -1.178 61.233 62.300 0.185 0.000 1.006 276 V CB 1.390 33.354 31.823 0.234 0.000 1.058 276 V HN 0.874 nan 8.190 nan 0.000 0.440 277 K N 1.087 121.591 120.400 0.173 0.000 2.120 277 K HA 0.682 5.002 4.320 -0.000 0.000 0.245 277 K C 0.130 176.792 176.600 0.104 0.000 1.024 277 K CA 0.067 56.433 56.287 0.131 0.000 0.906 277 K CB 1.098 33.673 32.500 0.126 0.000 1.051 277 K HN 1.053 nan 8.250 nan 0.000 0.491 278 A N 2.518 125.367 122.820 0.047 0.000 2.327 278 A HA 0.364 4.684 4.320 -0.000 0.000 0.283 278 A C -2.225 175.347 177.584 -0.020 0.000 1.127 278 A CA -1.513 50.504 52.037 -0.034 0.000 0.810 278 A CB 0.043 19.029 19.000 -0.023 0.000 1.066 278 A HN 0.394 nan 8.150 nan 0.000 0.492 279 P HA 0.416 nan 4.420 nan 0.000 0.275 279 P C 0.769 178.050 177.300 -0.032 0.000 1.228 279 P CA 1.362 64.427 63.100 -0.059 0.000 0.786 279 P CB 0.915 32.497 31.700 -0.197 0.000 0.927 280 G N 2.270 111.079 108.800 0.014 0.000 2.569 280 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.259 280 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.259 280 G C -0.873 174.063 174.900 0.060 0.000 1.263 280 G CA 0.138 45.180 45.100 -0.096 0.000 0.928 280 G HN 0.737 nan 8.290 nan 0.000 0.572 281 F N -3.005 116.954 119.950 0.016 0.000 2.672 281 F HA 0.658 5.185 4.527 -0.000 0.000 0.311 281 F C 0.846 176.650 175.800 0.008 0.000 1.113 281 F CA 0.237 58.243 58.000 0.011 0.000 0.996 281 F CB 0.964 39.973 39.000 0.014 0.000 1.286 281 F HN 2.397 nan 8.300 nan 0.000 0.441 282 G N 1.950 110.860 108.800 0.183 0.000 2.552 282 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.267 282 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.267 282 G C 0.285 175.204 174.900 0.033 0.000 1.174 282 G CA 0.497 45.664 45.100 0.111 0.000 0.955 282 G HN 0.780 nan 8.290 nan 0.000 0.546 283 D N 1.205 121.612 120.400 0.012 0.000 2.317 283 D HA 0.030 4.670 4.640 -0.000 0.000 0.211 283 D C 2.289 178.568 176.300 -0.034 0.000 0.966 283 D CA 0.641 54.636 54.000 -0.008 0.000 0.876 283 D CB -0.008 40.790 40.800 -0.002 0.000 0.927 283 D HN 0.455 nan 8.370 nan 0.000 0.519 284 R N 0.431 120.887 120.500 -0.074 0.000 2.391 284 R HA 0.191 4.531 4.340 -0.000 0.000 0.249 284 R C 1.805 178.035 176.300 -0.117 0.000 0.957 284 R CA -0.101 55.936 56.100 -0.105 0.000 1.093 284 R CB 0.560 30.762 30.300 -0.164 0.000 1.156 284 R HN 0.021 nan 8.270 nan 0.000 0.526 285 R N 0.941 121.392 120.500 -0.082 0.000 2.142 285 R HA 0.091 4.431 4.340 -0.000 0.000 0.204 285 R C 1.474 177.733 176.300 -0.068 0.000 1.059 285 R CA 0.390 56.446 56.100 -0.073 0.000 1.055 285 R CB 0.346 30.626 30.300 -0.034 0.000 0.976 285 R HN -0.037 nan 8.270 nan 0.000 0.483 286 K N 0.450 120.822 120.400 -0.048 0.000 2.147 286 K HA -0.061 4.259 4.320 -0.000 0.000 0.205 286 K C 1.958 178.531 176.600 -0.046 0.000 1.049 286 K CA 1.300 57.562 56.287 -0.042 0.000 0.936 286 K CB -0.048 32.436 32.500 -0.026 0.000 0.722 286 K HN 0.187 nan 8.250 nan 0.000 0.446 287 A N 1.218 124.010 122.820 -0.047 0.000 1.940 287 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 287 A C 2.093 179.643 177.584 -0.055 0.000 1.176 287 A CA 1.418 53.428 52.037 -0.045 0.000 0.631 287 A CB -0.310 18.665 19.000 -0.042 0.000 0.814 287 A HN 0.160 nan 8.150 nan 0.000 0.446 288 M N -0.954 118.601 119.600 -0.075 0.000 2.200 288 M HA 0.015 4.495 4.480 -0.000 0.000 0.265 288 M C 2.180 178.414 176.300 -0.110 0.000 1.066 288 M CA 1.045 56.286 55.300 -0.097 0.000 1.127 288 M CB -0.866 31.655 32.600 -0.131 0.000 1.379 288 M HN 0.395 nan 8.290 nan 0.000 0.420 289 L N -0.157 121.005 121.223 -0.102 0.000 2.017 289 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 289 L C 2.616 179.449 176.870 -0.061 0.000 1.073 289 L CA 1.370 56.154 54.840 -0.092 0.000 0.745 289 L CB -0.615 41.401 42.059 -0.073 0.000 0.894 289 L HN 0.292 nan 8.230 nan 0.000 0.432 290 Q N 0.118 119.890 119.800 -0.046 0.000 2.167 290 Q HA -0.219 4.121 4.340 -0.000 0.000 0.202 290 Q C 1.614 177.597 176.000 -0.029 0.000 0.970 290 Q CA 1.668 57.452 55.803 -0.031 0.000 0.855 290 Q CB 0.014 28.736 28.738 -0.025 0.000 0.911 290 Q HN 0.366 nan 8.270 nan 0.000 0.438 291 D N -0.478 119.900 120.400 -0.036 0.000 2.178 291 D HA -0.101 4.539 4.640 -0.000 0.000 0.202 291 D C 1.443 177.730 176.300 -0.023 0.000 0.974 291 D CA 1.049 55.032 54.000 -0.028 0.000 0.841 291 D CB 0.036 40.817 40.800 -0.031 0.000 0.953 291 D HN 0.387 nan 8.370 nan 0.000 0.478 292 I N 0.338 120.886 120.570 -0.037 0.000 2.500 292 I HA -0.102 4.068 4.170 -0.000 0.000 0.252 292 I C 2.337 178.447 176.117 -0.010 0.000 1.142 292 I CA 0.521 61.806 61.300 -0.024 0.000 1.451 292 I CB -0.117 37.848 38.000 -0.057 0.000 1.093 292 I HN -0.081 nan 8.210 nan 0.000 0.430 293 A N 0.810 123.620 122.820 -0.016 0.000 1.902 293 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 293 A C 2.365 179.949 177.584 0.001 0.000 1.181 293 A CA 2.495 54.528 52.037 -0.006 0.000 0.623 293 A CB -1.003 17.990 19.000 -0.011 0.000 0.818 293 A HN 0.407 nan 8.150 nan 0.000 0.443 294 T N -0.109 114.443 114.554 -0.002 0.000 3.035 294 T HA 0.065 4.415 4.350 -0.000 0.000 0.259 294 T C 1.804 176.506 174.700 0.003 0.000 1.078 294 T CA 0.752 62.852 62.100 0.000 0.000 1.132 294 T CB -0.116 68.750 68.868 -0.003 0.000 0.900 294 T HN 0.300 nan 8.240 nan 0.000 0.480 295 L N 2.295 123.520 121.223 0.004 0.000 2.023 295 L HA -0.086 4.253 4.340 -0.000 0.000 0.205 295 L C 2.548 179.424 176.870 0.009 0.000 1.073 295 L CA 2.496 57.340 54.840 0.007 0.000 0.745 295 L CB -1.366 40.700 42.059 0.011 0.000 0.900 295 L HN 0.424 nan 8.230 nan 0.000 0.435 296 T N -2.621 111.941 114.554 0.014 0.000 2.770 296 T HA 0.129 4.479 4.350 -0.000 0.000 0.258 296 T C 1.313 176.025 174.700 0.019 0.000 1.039 296 T CA 0.803 62.913 62.100 0.017 0.000 1.143 296 T CB -0.407 68.477 68.868 0.027 0.000 0.866 296 T HN 0.636 nan 8.240 nan 0.000 0.428 297 G N 0.268 109.082 108.800 0.022 0.000 2.462 297 G HA2 0.355 4.315 3.960 -0.000 0.000 0.124 297 G HA3 0.355 4.315 3.960 -0.000 0.000 0.124 297 G C 0.012 174.932 174.900 0.033 0.000 1.062 297 G CA -0.460 44.655 45.100 0.025 0.000 0.764 297 G HN 1.033 nan 8.290 nan 0.000 0.485 298 G N -0.131 108.686 108.800 0.028 0.000 2.719 298 G HA2 0.698 4.658 3.960 -0.000 0.000 0.298 298 G HA3 0.698 4.658 3.960 -0.000 0.000 0.298 298 G C -0.204 174.705 174.900 0.015 0.000 1.433 298 G CA 0.027 45.145 45.100 0.029 0.000 1.034 298 G HN 0.618 nan 8.290 nan 0.000 0.517 299 T N 1.464 116.025 114.554 0.011 0.000 2.888 299 T HA 0.260 4.610 4.350 -0.000 0.000 0.301 299 T C 0.761 175.462 174.700 0.002 0.000 1.001 299 T CA -0.138 61.965 62.100 0.004 0.000 1.147 299 T CB 1.396 70.266 68.868 0.003 0.000 0.931 299 T HN 0.354 nan 8.240 nan 0.000 0.541 300 V N 5.452 125.364 119.914 -0.003 0.000 2.470 300 V HA 0.231 4.351 4.120 -0.000 0.000 0.276 300 V C 0.428 176.520 176.094 -0.004 0.000 1.040 300 V CA -0.270 62.026 62.300 -0.005 0.000 1.008 300 V CB -0.041 31.775 31.823 -0.012 0.000 0.990 300 V HN 0.743 nan 8.190 nan 0.000 0.477 301 I N 5.524 126.092 120.570 -0.003 0.000 2.339 301 I HA 0.486 4.656 4.170 -0.000 0.000 0.290 301 I C 0.223 176.339 176.117 -0.002 0.000 0.994 301 I CA 0.184 61.483 61.300 -0.002 0.000 1.191 301 I CB 1.635 39.634 38.000 -0.003 0.000 1.343 301 I HN 0.779 nan 8.210 nan 0.000 0.458 302 S N 4.011 119.710 115.700 -0.001 0.000 2.569 302 S HA 0.419 4.889 4.470 -0.000 0.000 0.280 302 S C 0.299 174.900 174.600 0.001 0.000 1.111 302 S CA -0.841 57.359 58.200 0.000 0.000 0.887 302 S CB 2.269 65.468 63.200 -0.001 0.000 1.095 302 S HN 0.492 nan 8.310 nan 0.000 0.476 303 E N 1.088 121.290 120.200 0.003 0.000 2.347 303 E HA -0.052 4.298 4.350 -0.000 0.000 0.196 303 E C 1.180 177.782 176.600 0.003 0.000 1.008 303 E CA 0.720 57.122 56.400 0.003 0.000 0.852 303 E CB -0.014 29.689 29.700 0.005 0.000 0.783 303 E HN 0.783 nan 8.360 nan 0.000 0.505 304 E N 0.385 120.587 120.200 0.003 0.000 2.046 304 E HA -0.062 4.288 4.350 -0.000 0.000 0.190 304 E C 1.883 178.484 176.600 0.002 0.000 0.982 304 E CA 0.722 57.124 56.400 0.003 0.000 0.800 304 E CB -0.026 29.676 29.700 0.004 0.000 0.756 304 E HN 0.244 nan 8.360 nan 0.000 0.449 305 I N -0.062 120.509 120.570 0.001 0.000 3.444 305 I HA 0.068 4.237 4.170 -0.000 0.000 0.287 305 I C 1.384 177.501 176.117 0.000 0.000 1.302 305 I CA 0.525 61.825 61.300 -0.000 0.000 1.368 305 I CB -0.157 37.842 38.000 -0.001 0.000 1.048 305 I HN 0.250 nan 8.210 nan 0.000 0.487 306 G N 1.127 109.927 108.800 0.001 0.000 2.176 306 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.253 306 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.253 306 G C 0.332 175.232 174.900 -0.000 0.000 0.979 306 G CA -0.364 44.736 45.100 0.000 0.000 0.641 306 G HN 0.303 nan 8.290 nan 0.000 0.530 307 M N 1.576 121.175 119.600 -0.001 0.000 2.194 307 M HA 0.284 4.764 4.480 -0.000 0.000 0.347 307 M C 0.463 176.762 176.300 -0.001 0.000 1.439 307 M CA 0.249 55.549 55.300 -0.001 0.000 1.131 307 M CB 0.470 33.069 32.600 -0.002 0.000 1.733 307 M HN 0.234 nan 8.290 nan 0.000 0.467 308 E N 2.935 123.134 120.200 -0.002 0.000 2.354 308 E HA 0.109 4.458 4.350 -0.000 0.000 0.269 308 E C -0.124 176.474 176.600 -0.003 0.000 1.036 308 E CA -0.206 56.193 56.400 -0.002 0.000 0.876 308 E CB 0.994 30.692 29.700 -0.002 0.000 1.009 308 E HN 0.626 nan 8.360 nan 0.000 0.416 309 L N 3.222 124.444 121.223 -0.003 0.000 2.873 309 L HA -0.023 4.317 4.340 -0.000 0.000 0.252 309 L C 0.691 177.557 176.870 -0.007 0.000 1.266 309 L CA 0.345 55.183 54.840 -0.004 0.000 1.111 309 L CB -0.306 41.752 42.059 -0.002 0.000 1.440 309 L HN 0.530 nan 8.230 nan 0.000 0.427 310 E N -0.850 119.345 120.200 -0.008 0.000 2.434 310 E HA 0.015 4.365 4.350 -0.000 0.000 0.207 310 E C 1.613 178.204 176.600 -0.014 0.000 0.929 310 E CA 0.246 56.639 56.400 -0.011 0.000 1.001 310 E CB 0.386 30.081 29.700 -0.009 0.000 1.016 310 E HN 0.179 nan 8.360 nan 0.000 0.502 311 K N 0.677 121.070 120.400 -0.012 0.000 2.365 311 K HA 0.174 4.494 4.320 -0.000 0.000 0.199 311 K C 0.496 177.085 176.600 -0.017 0.000 1.045 311 K CA 0.520 56.799 56.287 -0.013 0.000 0.962 311 K CB 0.193 32.687 32.500 -0.009 0.000 0.759 311 K HN 0.003 nan 8.250 nan 0.000 0.469 312 A N 1.448 124.257 122.820 -0.019 0.000 2.451 312 A HA 0.129 4.449 4.320 -0.000 0.000 0.266 312 A C 0.847 178.406 177.584 -0.042 0.000 1.119 312 A CA 0.138 52.160 52.037 -0.025 0.000 0.786 312 A CB 0.046 19.033 19.000 -0.021 0.000 1.061 312 A HN 0.358 nan 8.150 nan 0.000 0.503 313 T N 0.327 114.850 114.554 -0.052 0.000 3.426 313 T HA 0.352 4.702 4.350 -0.000 0.000 0.195 313 T C 1.058 175.679 174.700 -0.132 0.000 0.963 313 T CA 0.647 62.699 62.100 -0.081 0.000 1.154 313 T CB -0.168 68.663 68.868 -0.061 0.000 1.377 313 T HN 0.340 nan 8.240 nan 0.000 0.342 314 L N -0.596 120.566 121.223 -0.101 0.000 2.860 314 L HA 0.441 4.781 4.340 -0.000 0.000 0.251 314 L C 2.489 179.365 176.870 0.010 0.000 1.041 314 L CA 0.109 54.880 54.840 -0.115 0.000 0.985 314 L CB 0.489 42.471 42.059 -0.129 0.000 1.656 314 L HN 0.216 nan 8.230 nan 0.000 0.526 315 E N 1.093 121.299 120.200 0.009 0.000 2.152 315 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 315 E C 0.629 177.244 176.600 0.025 0.000 0.983 315 E CA 1.261 57.678 56.400 0.028 0.000 0.818 315 E CB 0.236 29.946 29.700 0.016 0.000 0.758 315 E HN 0.420 nan 8.360 nan 0.000 0.467 316 D N -0.262 120.144 120.400 0.009 0.000 2.363 316 D HA 0.012 4.652 4.640 -0.000 0.000 0.226 316 D C -0.226 176.086 176.300 0.019 0.000 1.020 316 D CA 0.291 54.296 54.000 0.009 0.000 0.892 316 D CB 0.153 40.951 40.800 -0.004 0.000 0.900 316 D HN 0.032 nan 8.370 nan 0.000 0.531 317 L N -0.198 121.047 121.223 0.037 0.000 2.334 317 L HA 0.533 4.873 4.340 -0.000 0.000 0.273 317 L C 1.046 177.980 176.870 0.107 0.000 1.013 317 L CA -0.807 54.075 54.840 0.069 0.000 0.816 317 L CB 1.759 43.863 42.059 0.075 0.000 1.278 317 L HN -0.132 nan 8.230 nan 0.000 0.431 318 G N 0.798 109.656 108.800 0.096 0.000 2.539 318 G HA2 0.496 4.456 3.960 -0.000 0.000 0.258 318 G HA3 0.496 4.456 3.960 -0.000 0.000 0.258 318 G C -0.838 174.122 174.900 0.100 0.000 1.202 318 G CA -0.287 44.861 45.100 0.081 0.000 0.851 318 G HN 0.568 nan 8.290 nan 0.000 0.556 319 Q N -0.104 119.720 119.800 0.041 0.000 2.294 319 Q HA 0.527 4.867 4.340 -0.000 0.000 0.264 319 Q C -0.038 175.931 176.000 -0.053 0.000 0.992 319 Q CA -0.651 55.129 55.803 -0.038 0.000 0.747 319 Q CB 2.044 30.742 28.738 -0.067 0.000 1.262 319 Q HN 0.714 nan 8.270 nan 0.000 0.452 320 A N 2.014 124.796 122.820 -0.065 0.000 3.068 320 A HA 0.522 4.842 4.320 -0.000 0.000 0.229 320 A C 0.340 177.874 177.584 -0.084 0.000 1.561 320 A CA -0.189 51.817 52.037 -0.052 0.000 0.876 320 A CB 0.786 19.772 19.000 -0.024 0.000 1.700 320 A HN 0.657 nan 8.150 nan 0.000 0.535 321 K N -1.446 118.916 120.400 -0.062 0.000 2.474 321 K HA 0.253 4.572 4.320 -0.000 0.000 0.202 321 K C -0.173 176.393 176.600 -0.056 0.000 1.248 321 K CA 0.340 56.586 56.287 -0.069 0.000 0.946 321 K CB 0.931 33.399 32.500 -0.053 0.000 1.102 321 K HN 0.533 nan 8.250 nan 0.000 0.541 322 R N 0.556 121.032 120.500 -0.040 0.000 2.643 322 R HA 0.317 4.657 4.340 -0.000 0.000 0.269 322 R C -1.674 174.614 176.300 -0.021 0.000 1.037 322 R CA -0.654 55.429 56.100 -0.029 0.000 0.894 322 R CB 2.627 32.913 30.300 -0.024 0.000 1.238 322 R HN -0.095 nan 8.270 nan 0.000 0.459 323 V N -0.725 119.180 119.914 -0.016 0.000 2.686 323 V HA 0.790 4.910 4.120 -0.000 0.000 0.306 323 V C -0.893 175.195 176.094 -0.010 0.000 1.065 323 V CA -0.801 61.491 62.300 -0.012 0.000 0.894 323 V CB 2.019 33.841 31.823 -0.002 0.000 1.004 323 V HN 0.408 nan 8.190 nan 0.000 0.424 324 V N 5.343 125.244 119.914 -0.022 0.000 2.656 324 V HA 0.639 4.759 4.120 -0.000 0.000 0.307 324 V C -0.462 175.611 176.094 -0.034 0.000 1.051 324 V CA -0.400 61.892 62.300 -0.012 0.000 0.893 324 V CB 1.950 33.765 31.823 -0.013 0.000 0.999 324 V HN 0.870 nan 8.190 nan 0.000 0.426 325 I N 4.080 124.658 120.570 0.014 0.000 2.478 325 I HA 0.457 4.626 4.170 -0.000 0.000 0.287 325 I C 0.030 176.156 176.117 0.014 0.000 1.042 325 I CA -0.378 60.919 61.300 -0.006 0.000 1.067 325 I CB 1.791 39.850 38.000 0.099 0.000 1.233 325 I HN 0.535 nan 8.210 nan 0.000 0.431 326 N N 4.012 122.629 118.700 -0.138 0.000 2.566 326 N HA 0.268 5.008 4.740 -0.000 0.000 0.299 326 N C 0.963 176.152 175.510 -0.535 0.000 1.277 326 N CA -0.477 52.479 53.050 -0.156 0.000 0.965 326 N CB 1.208 39.636 38.487 -0.100 0.000 1.142 326 N HN 0.538 nan 8.380 nan 0.000 0.596 327 K N 0.141 120.339 120.400 -0.337 0.000 2.032 327 K HA -0.179 4.140 4.320 -0.000 0.000 0.209 327 K C 0.118 176.460 176.600 -0.430 0.000 1.048 327 K CA 2.235 58.290 56.287 -0.387 0.000 0.927 327 K CB -0.011 32.447 32.500 -0.069 0.000 0.712 327 K HN 0.575 nan 8.250 nan 0.000 0.441 328 D N -1.573 118.672 120.400 -0.258 0.000 2.540 328 D HA 0.065 4.705 4.640 -0.000 0.000 0.229 328 D C -0.753 175.450 176.300 -0.162 0.000 1.250 328 D CA -0.370 53.528 54.000 -0.172 0.000 0.817 328 D CB 0.905 41.661 40.800 -0.072 0.000 1.060 328 D HN -0.102 nan 8.370 nan 0.000 0.508 329 T N -0.679 113.740 114.554 -0.226 0.000 2.893 329 T HA 0.722 5.072 4.350 -0.000 0.000 0.291 329 T C -0.526 173.981 174.700 -0.322 0.000 1.028 329 T CA -0.642 61.319 62.100 -0.230 0.000 0.995 329 T CB 2.140 70.909 68.868 -0.165 0.000 1.051 329 T HN -0.097 nan 8.240 nan 0.000 0.470 330 T N 1.495 115.752 114.554 -0.494 0.000 2.916 330 T HA 0.672 5.022 4.350 -0.000 0.000 0.298 330 T C -0.766 173.563 174.700 -0.619 0.000 1.031 330 T CA -0.659 61.087 62.100 -0.590 0.000 0.993 330 T CB 1.936 70.320 68.868 -0.807 0.000 1.045 330 T HN 0.712 nan 8.240 nan 0.000 0.454 331 T N 2.685 117.042 114.554 -0.327 0.000 2.881 331 T HA 0.693 5.043 4.350 -0.000 0.000 0.290 331 T C -1.017 173.628 174.700 -0.091 0.000 1.000 331 T CA -0.627 61.355 62.100 -0.197 0.000 0.978 331 T CB 0.368 69.160 68.868 -0.126 0.000 0.997 331 T HN 0.491 nan 8.240 nan 0.000 0.443 332 I N 5.826 126.380 120.570 -0.027 0.000 2.321 332 I HA 0.455 4.625 4.170 -0.000 0.000 0.291 332 I C -0.258 175.861 176.117 0.002 0.000 0.998 332 I CA -0.793 60.516 61.300 0.015 0.000 1.227 332 I CB 1.414 39.458 38.000 0.073 0.000 1.368 332 I HN 0.551 nan 8.210 nan 0.000 0.466 333 I N 5.817 126.382 120.570 -0.008 0.000 2.339 333 I HA 0.270 4.440 4.170 -0.000 0.000 0.290 333 I C -0.545 175.564 176.117 -0.013 0.000 0.994 333 I CA -0.477 60.816 61.300 -0.012 0.000 1.191 333 I CB 1.094 39.084 38.000 -0.018 0.000 1.343 333 I HN 0.567 nan 8.210 nan 0.000 0.458 334 D N 5.276 125.670 120.400 -0.011 0.000 4.478 334 D HA -0.125 4.514 4.640 -0.000 0.000 0.238 334 D C -0.197 176.093 176.300 -0.016 0.000 1.056 334 D CA 0.893 54.884 54.000 -0.014 0.000 1.245 334 D CB -0.060 40.728 40.800 -0.019 0.000 0.794 334 D HN 0.889 nan 8.370 nan 0.000 0.394 335 G N 2.344 111.138 108.800 -0.009 0.000 2.866 335 G HA2 0.493 4.453 3.960 -0.000 0.000 0.318 335 G HA3 0.493 4.453 3.960 -0.000 0.000 0.318 335 G C 0.301 175.196 174.900 -0.008 0.000 1.336 335 G CA -0.544 44.551 45.100 -0.009 0.000 1.067 335 G HN 0.367 nan 8.290 nan 0.000 0.515 336 V N 3.481 123.387 119.914 -0.014 0.000 2.054 336 V HA 0.305 4.425 4.120 -0.000 0.000 0.243 336 V C 1.448 177.538 176.094 -0.005 0.000 1.480 336 V CA 0.391 62.685 62.300 -0.010 0.000 1.440 336 V CB -0.488 31.326 31.823 -0.014 0.000 1.489 336 V HN 0.631 nan 8.190 nan 0.000 0.502 337 G N 2.247 111.047 108.800 -0.001 0.000 2.582 337 G HA2 0.249 4.209 3.960 -0.000 0.000 0.232 337 G HA3 0.249 4.209 3.960 -0.000 0.000 0.232 337 G C 0.007 174.909 174.900 0.003 0.000 1.458 337 G CA -0.558 44.544 45.100 0.004 0.000 1.062 337 G HN 0.479 nan 8.290 nan 0.000 0.566 338 E N 1.293 121.496 120.200 0.004 0.000 1.944 338 E HA 0.062 4.412 4.350 -0.000 0.000 0.272 338 E C 0.944 177.544 176.600 0.001 0.000 1.195 338 E CA -0.104 56.297 56.400 0.003 0.000 0.926 338 E CB 0.979 30.682 29.700 0.004 0.000 1.051 338 E HN 0.425 nan 8.360 nan 0.000 0.404 339 E N 1.457 121.657 120.200 0.000 0.000 2.333 339 E HA -0.159 4.191 4.350 -0.000 0.000 0.198 339 E C 1.277 177.876 176.600 -0.001 0.000 1.007 339 E CA 0.651 57.051 56.400 -0.001 0.000 0.845 339 E CB 0.191 29.890 29.700 -0.002 0.000 0.766 339 E HN 0.428 nan 8.360 nan 0.000 0.507 340 A N 0.131 122.950 122.820 -0.001 0.000 2.275 340 A HA 0.352 4.672 4.320 -0.000 0.000 0.212 340 A C 1.886 179.470 177.584 -0.001 0.000 1.201 340 A CA 0.860 52.897 52.037 -0.001 0.000 0.843 340 A CB 0.288 19.288 19.000 -0.000 0.000 0.873 340 A HN 0.184 nan 8.150 nan 0.000 0.492 341 A N -0.978 121.842 122.820 -0.001 0.000 2.312 341 A HA 0.412 4.731 4.320 -0.000 0.000 0.215 341 A C 1.564 179.146 177.584 -0.002 0.000 1.256 341 A CA 0.216 52.252 52.037 -0.002 0.000 0.966 341 A CB -0.068 18.932 19.000 -0.001 0.000 1.053 341 A HN 0.308 nan 8.150 nan 0.000 0.510 342 I N -0.565 120.004 120.570 -0.002 0.000 2.406 342 I HA -0.159 4.011 4.170 -0.000 0.000 0.249 342 I C 2.481 178.596 176.117 -0.003 0.000 1.122 342 I CA 1.276 62.575 61.300 -0.002 0.000 1.431 342 I CB -0.000 37.999 38.000 -0.001 0.000 1.087 342 I HN 0.302 nan 8.210 nan 0.000 0.424 343 Q N 1.114 120.912 119.800 -0.003 0.000 2.224 343 Q HA -0.073 4.267 4.340 -0.000 0.000 0.203 343 Q C 2.042 178.039 176.000 -0.004 0.000 0.970 343 Q CA 1.624 57.424 55.803 -0.004 0.000 0.865 343 Q CB -0.308 28.428 28.738 -0.004 0.000 0.922 343 Q HN 0.470 nan 8.270 nan 0.000 0.445 344 G N -0.847 107.951 108.800 -0.004 0.000 2.712 344 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.212 344 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.212 344 G C 1.461 176.357 174.900 -0.006 0.000 1.142 344 G CA 0.232 45.329 45.100 -0.005 0.000 0.789 344 G HN 0.163 nan 8.290 nan 0.000 0.535 345 R N 0.282 120.778 120.500 -0.006 0.000 2.161 345 R HA 0.108 4.448 4.340 -0.000 0.000 0.213 345 R C 2.398 178.692 176.300 -0.009 0.000 1.055 345 R CA 0.691 56.786 56.100 -0.008 0.000 0.996 345 R CB -0.492 29.803 30.300 -0.009 0.000 0.901 345 R HN 0.175 nan 8.270 nan 0.000 0.456 346 V N 0.453 120.362 119.914 -0.008 0.000 2.407 346 V HA -0.179 3.941 4.120 -0.000 0.000 0.248 346 V C 2.172 178.260 176.094 -0.009 0.000 1.055 346 V CA 1.926 64.221 62.300 -0.009 0.000 1.049 346 V CB -0.830 30.988 31.823 -0.008 0.000 0.662 346 V HN 0.449 nan 8.190 nan 0.000 0.455 347 A N -1.290 121.525 122.820 -0.008 0.000 2.123 347 A HA -0.064 4.256 4.320 -0.000 0.000 0.214 347 A C 2.113 179.692 177.584 -0.008 0.000 1.152 347 A CA 0.651 52.683 52.037 -0.008 0.000 0.728 347 A CB -0.246 18.750 19.000 -0.006 0.000 0.814 347 A HN 0.587 nan 8.150 nan 0.000 0.464 348 Q N -0.794 119.001 119.800 -0.009 0.000 2.424 348 Q HA 0.151 4.491 4.340 -0.000 0.000 0.204 348 Q C 1.345 177.339 176.000 -0.011 0.000 0.933 348 Q CA 0.642 56.440 55.803 -0.009 0.000 0.929 348 Q CB 0.070 28.803 28.738 -0.009 0.000 1.037 348 Q HN 0.786 nan 8.270 nan 0.000 0.511 349 I N -0.969 119.593 120.570 -0.013 0.000 3.081 349 I HA -0.033 4.137 4.170 -0.000 0.000 0.274 349 I C 2.138 178.246 176.117 -0.015 0.000 1.178 349 I CA 0.258 61.549 61.300 -0.016 0.000 1.460 349 I CB 0.067 38.056 38.000 -0.019 0.000 1.137 349 I HN -0.058 nan 8.210 nan 0.000 0.443 350 R N 0.794 121.286 120.500 -0.013 0.000 2.307 350 R HA -0.001 4.339 4.340 -0.000 0.000 0.199 350 R C 1.922 178.216 176.300 -0.010 0.000 1.000 350 R CA 0.528 56.621 56.100 -0.012 0.000 1.023 350 R CB 0.174 30.467 30.300 -0.011 0.000 0.908 350 R HN 0.275 nan 8.270 nan 0.000 0.473 351 Q N -0.448 119.347 119.800 -0.009 0.000 2.392 351 Q HA 0.001 4.341 4.340 -0.000 0.000 0.203 351 Q C 1.064 177.061 176.000 -0.006 0.000 0.917 351 Q CA 0.525 56.324 55.803 -0.007 0.000 0.939 351 Q CB 0.845 29.579 28.738 -0.006 0.000 1.063 351 Q HN 0.385 nan 8.270 nan 0.000 0.516 352 Q N -0.380 119.415 119.800 -0.007 0.000 2.302 352 Q HA 0.090 4.430 4.340 -0.000 0.000 0.202 352 Q C 1.930 177.927 176.000 -0.005 0.000 0.936 352 Q CA 0.491 56.291 55.803 -0.006 0.000 0.886 352 Q CB 0.391 29.124 28.738 -0.008 0.000 0.986 352 Q HN 0.416 nan 8.270 nan 0.000 0.487 353 I N 0.661 121.226 120.570 -0.008 0.000 2.716 353 I HA -0.135 4.035 4.170 -0.000 0.000 0.259 353 I C 2.017 178.132 176.117 -0.004 0.000 1.172 353 I CA 0.631 61.927 61.300 -0.008 0.000 1.478 353 I CB -0.057 37.936 38.000 -0.013 0.000 1.104 353 I HN -0.004 nan 8.210 nan 0.000 0.439 354 E N 1.316 121.513 120.200 -0.004 0.000 2.152 354 E HA -0.077 4.272 4.350 -0.000 0.000 0.192 354 E C 0.593 177.193 176.600 -0.000 0.000 0.983 354 E CA 0.890 57.289 56.400 -0.002 0.000 0.818 354 E CB 0.003 29.701 29.700 -0.003 0.000 0.758 354 E HN 0.532 nan 8.360 nan 0.000 0.467 355 E N 0.326 120.526 120.200 0.000 0.000 2.490 355 E HA 0.445 4.795 4.350 -0.000 0.000 0.232 355 E C -1.035 175.568 176.600 0.005 0.000 1.091 355 E CA -0.288 56.114 56.400 0.003 0.000 1.050 355 E CB 1.031 30.733 29.700 0.002 0.000 1.342 355 E HN -0.001 nan 8.360 nan 0.000 0.454 356 A N 1.076 123.900 122.820 0.007 0.000 2.427 356 A HA 0.462 4.782 4.320 -0.000 0.000 0.298 356 A C 0.039 177.631 177.584 0.014 0.000 1.036 356 A CA -0.776 51.268 52.037 0.013 0.000 0.701 356 A CB 1.193 20.200 19.000 0.012 0.000 1.250 356 A HN 0.254 nan 8.150 nan 0.000 0.412 357 T N -1.235 113.330 114.554 0.018 0.000 3.516 357 T HA 0.614 4.964 4.350 -0.000 0.000 0.245 357 T C -0.229 174.486 174.700 0.026 0.000 1.077 357 T CA -0.147 61.964 62.100 0.018 0.000 1.222 357 T CB -0.214 68.662 68.868 0.013 0.000 1.045 357 T HN 0.994 nan 8.240 nan 0.000 0.585 358 S N -0.102 115.620 115.700 0.036 0.000 2.543 358 S HA 0.374 4.844 4.470 -0.000 0.000 0.274 358 S C -1.192 173.447 174.600 0.065 0.000 1.149 358 S CA -0.584 57.648 58.200 0.054 0.000 0.866 358 S CB 1.629 64.873 63.200 0.073 0.000 1.111 358 S HN 0.284 nan 8.310 nan 0.000 0.457 359 D N 1.953 122.398 120.400 0.075 0.000 2.395 359 D HA 0.163 4.803 4.640 -0.000 0.000 0.226 359 D C 0.272 176.636 176.300 0.106 0.000 1.146 359 D CA 0.232 54.273 54.000 0.067 0.000 0.830 359 D CB 0.246 41.075 40.800 0.048 0.000 0.958 359 D HN 0.617 nan 8.370 nan 0.000 0.501 360 Y N 0.532 120.830 120.300 -0.004 0.000 2.559 360 Y HA 0.036 4.586 4.550 -0.000 0.000 0.279 360 Y C 1.325 177.217 175.900 -0.012 0.000 1.117 360 Y CA 0.629 58.725 58.100 -0.005 0.000 1.263 360 Y CB 0.492 38.950 38.460 -0.004 0.000 1.230 360 Y HN -0.225 nan 8.280 nan 0.000 0.528 361 D N 0.369 120.796 120.400 0.045 0.000 2.218 361 D HA -0.126 4.514 4.640 -0.000 0.000 0.204 361 D C 1.847 178.087 176.300 -0.100 0.000 0.976 361 D CA 1.074 55.042 54.000 -0.053 0.000 0.853 361 D CB -0.123 40.699 40.800 0.038 0.000 0.939 361 D HN 0.222 nan 8.370 nan 0.000 0.481 362 R N 0.275 120.736 120.500 -0.064 0.000 2.280 362 R HA -0.021 4.319 4.340 -0.000 0.000 0.207 362 R C 1.099 177.343 176.300 -0.093 0.000 1.043 362 R CA 0.784 56.848 56.100 -0.059 0.000 1.006 362 R CB 0.292 30.577 30.300 -0.025 0.000 0.885 362 R HN 0.114 nan 8.270 nan 0.000 0.467 363 E N -0.737 119.364 120.200 -0.164 0.000 2.372 363 E HA 0.033 4.383 4.350 -0.000 0.000 0.201 363 E C 0.984 177.433 176.600 -0.252 0.000 0.938 363 E CA 0.413 56.702 56.400 -0.185 0.000 0.944 363 E CB 0.694 30.288 29.700 -0.177 0.000 0.937 363 E HN 0.104 nan 8.360 nan 0.000 0.495 364 K N 0.214 120.383 120.400 -0.384 0.000 2.450 364 K HA 0.284 4.604 4.320 -0.000 0.000 0.206 364 K C 1.896 178.360 176.600 -0.226 0.000 1.148 364 K CA -0.025 56.039 56.287 -0.371 0.000 1.014 364 K CB 0.974 33.074 32.500 -0.668 0.000 0.966 364 K HN 0.053 nan 8.250 nan 0.000 0.566 365 L N 1.196 122.310 121.223 -0.181 0.000 2.418 365 L HA -0.008 4.332 4.340 -0.000 0.000 0.218 365 L C 1.610 178.433 176.870 -0.079 0.000 1.125 365 L CA 0.723 55.501 54.840 -0.103 0.000 0.835 365 L CB -0.030 41.986 42.059 -0.072 0.000 0.953 365 L HN 0.069 nan 8.230 nan 0.000 0.454 366 Q N -0.123 119.626 119.800 -0.085 0.000 2.403 366 Q HA -0.033 4.307 4.340 -0.000 0.000 0.203 366 Q C 1.259 177.225 176.000 -0.057 0.000 0.932 366 Q CA 0.381 56.147 55.803 -0.062 0.000 0.945 366 Q CB 0.441 29.145 28.738 -0.057 0.000 1.045 366 Q HN 0.573 nan 8.270 nan 0.000 0.511 367 E N 0.617 120.775 120.200 -0.069 0.000 2.299 367 E HA -0.023 4.327 4.350 -0.000 0.000 0.193 367 E C 1.241 177.819 176.600 -0.037 0.000 0.998 367 E CA 0.296 56.664 56.400 -0.053 0.000 0.851 367 E CB 0.293 29.955 29.700 -0.063 0.000 0.795 367 E HN 0.224 nan 8.360 nan 0.000 0.492 368 R N 0.411 120.885 120.500 -0.042 0.000 2.334 368 R HA 0.026 4.366 4.340 -0.000 0.000 0.216 368 R C 1.896 178.182 176.300 -0.024 0.000 0.905 368 R CA 0.289 56.370 56.100 -0.031 0.000 1.064 368 R CB 0.551 30.828 30.300 -0.039 0.000 1.046 368 R HN 0.100 nan 8.270 nan 0.000 0.508 369 V N -4.301 115.598 119.914 -0.025 0.000 3.212 369 V HA 0.325 4.445 4.120 -0.000 0.000 0.244 369 V C 2.008 178.092 176.094 -0.016 0.000 1.151 369 V CA 0.823 63.111 62.300 -0.020 0.000 1.119 369 V CB 0.294 32.104 31.823 -0.022 0.000 0.838 369 V HN 0.073 nan 8.190 nan 0.000 0.470 370 A N 0.767 123.576 122.820 -0.017 0.000 2.015 370 A HA -0.030 4.290 4.320 -0.000 0.000 0.219 370 A C 2.249 179.828 177.584 -0.009 0.000 1.163 370 A CA 1.847 53.875 52.037 -0.014 0.000 0.646 370 A CB -0.402 18.588 19.000 -0.017 0.000 0.806 370 A HN 0.585 nan 8.150 nan 0.000 0.448 371 K N -1.237 119.160 120.400 -0.004 0.000 2.211 371 K HA 0.110 4.430 4.320 -0.000 0.000 0.201 371 K C 1.780 178.385 176.600 0.008 0.000 1.052 371 K CA 0.682 56.973 56.287 0.006 0.000 0.973 371 K CB -0.131 32.381 32.500 0.020 0.000 0.766 371 K HN 0.378 nan 8.250 nan 0.000 0.466 372 L N 0.898 122.122 121.223 0.002 0.000 2.013 372 L HA 0.027 4.367 4.340 -0.000 0.000 0.204 372 L C 2.173 179.042 176.870 -0.001 0.000 1.081 372 L CA 1.703 56.543 54.840 0.001 0.000 0.751 372 L CB -0.657 41.399 42.059 -0.004 0.000 0.901 372 L HN 0.054 nan 8.230 nan 0.000 0.440 373 A N -0.700 122.118 122.820 -0.005 0.000 1.969 373 A HA -0.015 4.305 4.320 -0.000 0.000 0.218 373 A C 2.210 179.791 177.584 -0.005 0.000 1.169 373 A CA 1.350 53.383 52.037 -0.005 0.000 0.635 373 A CB -1.486 17.509 19.000 -0.007 0.000 0.810 373 A HN 0.567 nan 8.150 nan 0.000 0.445 374 G N -1.197 107.600 108.800 -0.006 0.000 2.448 374 G HA2 0.327 4.287 3.960 -0.000 0.000 0.218 374 G HA3 0.327 4.287 3.960 -0.000 0.000 0.218 374 G C 1.265 176.161 174.900 -0.006 0.000 1.135 374 G CA 0.825 45.921 45.100 -0.007 0.000 0.784 374 G HN 1.576 nan 8.290 nan 0.000 0.543 375 G N -1.307 107.491 108.800 -0.003 0.000 2.552 375 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.265 375 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.265 375 G C -0.398 174.499 174.900 -0.004 0.000 1.234 375 G CA 0.114 45.213 45.100 -0.002 0.000 0.944 375 G HN 1.050 nan 8.290 nan 0.000 0.568 376 V N 0.527 120.437 119.914 -0.007 0.000 2.623 376 V HA 0.698 4.818 4.120 -0.000 0.000 0.304 376 V C 0.589 176.675 176.094 -0.014 0.000 1.054 376 V CA -0.019 62.274 62.300 -0.012 0.000 0.882 376 V CB 1.453 33.269 31.823 -0.012 0.000 1.002 376 V HN 1.996 nan 8.190 nan 0.000 0.424 377 A N 4.905 127.715 122.820 -0.016 0.000 2.310 377 A HA 0.646 4.966 4.320 -0.000 0.000 0.300 377 A C -0.295 177.279 177.584 -0.016 0.000 1.269 377 A CA -0.241 51.787 52.037 -0.015 0.000 0.909 377 A CB 0.358 19.348 19.000 -0.017 0.000 1.144 377 A HN 0.698 nan 8.150 nan 0.000 0.540 378 V N 5.178 125.085 119.914 -0.013 0.000 2.432 378 V HA 0.239 4.359 4.120 -0.000 0.000 0.271 378 V C 0.067 176.155 176.094 -0.011 0.000 1.046 378 V CA 0.157 62.449 62.300 -0.012 0.000 0.945 378 V CB 0.648 32.464 31.823 -0.012 0.000 0.992 378 V HN 0.693 nan 8.190 nan 0.000 0.471 379 I N 5.732 126.296 120.570 -0.010 0.000 2.362 379 I HA 0.463 4.633 4.170 -0.000 0.000 0.289 379 I C -0.020 176.094 176.117 -0.006 0.000 0.994 379 I CA -0.612 60.683 61.300 -0.008 0.000 1.158 379 I CB 1.480 39.476 38.000 -0.007 0.000 1.315 379 I HN 0.446 nan 8.210 nan 0.000 0.451 380 K N 5.661 126.058 120.400 -0.006 0.000 2.307 380 K HA 0.525 4.845 4.320 -0.000 0.000 0.263 380 K C -0.953 175.645 176.600 -0.004 0.000 0.973 380 K CA -0.665 55.619 56.287 -0.005 0.000 0.846 380 K CB 2.346 34.843 32.500 -0.006 0.000 1.100 380 K HN 0.329 nan 8.250 nan 0.000 0.438 381 V N 2.407 122.320 119.914 -0.003 0.000 2.406 381 V HA 0.438 4.558 4.120 -0.000 0.000 0.272 381 V C 0.665 176.758 176.094 -0.002 0.000 1.043 381 V CA -0.638 61.661 62.300 -0.002 0.000 0.915 381 V CB 1.104 32.926 31.823 -0.000 0.000 0.988 381 V HN 0.919 nan 8.190 nan 0.000 0.466 382 G N 2.558 111.357 108.800 -0.002 0.000 2.569 382 G HA2 0.911 4.871 3.960 -0.000 0.000 0.300 382 G HA3 0.911 4.871 3.960 -0.000 0.000 0.300 382 G C -0.737 174.161 174.900 -0.002 0.000 1.269 382 G CA -0.069 45.029 45.100 -0.002 0.000 0.959 382 G HN 1.146 nan 8.290 nan 0.000 0.478 383 A N -0.938 121.881 122.820 -0.002 0.000 2.594 383 A HA 0.869 5.189 4.320 -0.000 0.000 0.307 383 A C 0.928 178.511 177.584 -0.002 0.000 1.203 383 A CA 0.581 52.617 52.037 -0.002 0.000 0.644 383 A CB 0.393 19.392 19.000 -0.002 0.000 1.349 383 A HN 1.837 nan 8.150 nan 0.000 0.510 384 A N -0.663 122.156 122.820 -0.002 0.000 1.850 384 A HA 0.416 4.736 4.320 -0.000 0.000 0.212 384 A C 1.333 178.916 177.584 -0.002 0.000 1.208 384 A CA 2.280 54.316 52.037 -0.002 0.000 0.609 384 A CB -0.994 18.005 19.000 -0.002 0.000 0.860 384 A HN 1.690 nan 8.150 nan 0.000 0.448 385 T N -3.438 111.115 114.554 -0.002 0.000 2.937 385 T HA 0.470 4.819 4.350 -0.000 0.000 0.283 385 T C 0.629 175.328 174.700 -0.002 0.000 1.012 385 T CA -0.034 62.065 62.100 -0.002 0.000 0.997 385 T CB 1.844 70.711 68.868 -0.002 0.000 1.136 385 T HN 0.310 nan 8.240 nan 0.000 0.551 386 E N -0.381 119.818 120.200 -0.002 0.000 2.072 386 E HA -0.079 4.271 4.350 -0.000 0.000 0.190 386 E C 1.909 178.508 176.600 -0.002 0.000 0.982 386 E CA 0.705 57.104 56.400 -0.002 0.000 0.803 386 E CB -0.070 29.629 29.700 -0.002 0.000 0.755 386 E HN 0.507 nan 8.360 nan 0.000 0.453 387 V N 1.300 121.213 119.914 -0.001 0.000 2.809 387 V HA -0.156 3.964 4.120 -0.000 0.000 0.256 387 V C 1.777 177.870 176.094 -0.002 0.000 1.080 387 V CA 1.475 63.774 62.300 -0.001 0.000 1.102 387 V CB -0.409 31.414 31.823 -0.001 0.000 0.705 387 V HN 0.221 nan 8.190 nan 0.000 0.475 388 E N -0.342 119.857 120.200 -0.002 0.000 2.216 388 E HA -0.101 4.249 4.350 -0.000 0.000 0.192 388 E C 2.119 178.718 176.600 -0.001 0.000 0.988 388 E CA 0.733 57.132 56.400 -0.002 0.000 0.834 388 E CB -0.099 29.600 29.700 -0.002 0.000 0.772 388 E HN 0.436 nan 8.360 nan 0.000 0.479 389 M N 0.824 120.423 119.600 -0.001 0.000 2.288 389 M HA -0.089 4.391 4.480 -0.000 0.000 0.266 389 M C 1.583 177.883 176.300 -0.001 0.000 1.072 389 M CA 1.243 56.542 55.300 -0.001 0.000 1.132 389 M CB 0.058 32.657 32.600 -0.001 0.000 1.386 389 M HN -0.120 nan 8.290 nan 0.000 0.432 390 K N 0.167 120.567 120.400 -0.001 0.000 2.031 390 K HA -0.097 4.223 4.320 -0.000 0.000 0.205 390 K C 1.874 178.474 176.600 -0.000 0.000 1.049 390 K CA 0.938 57.225 56.287 -0.001 0.000 0.939 390 K CB -0.523 31.976 32.500 -0.001 0.000 0.717 390 K HN 0.380 nan 8.250 nan 0.000 0.438 391 E N 1.407 121.607 120.200 -0.001 0.000 2.152 391 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 391 E C 1.908 178.508 176.600 -0.001 0.000 0.983 391 E CA 0.893 57.293 56.400 -0.001 0.000 0.818 391 E CB 0.209 29.907 29.700 -0.002 0.000 0.758 391 E HN 0.185 nan 8.360 nan 0.000 0.467 392 K N 0.878 121.277 120.400 -0.000 0.000 2.103 392 K HA -0.128 4.192 4.320 -0.000 0.000 0.204 392 K C 2.228 178.830 176.600 0.002 0.000 1.052 392 K CA 1.062 57.349 56.287 0.000 0.000 0.945 392 K CB 0.020 32.520 32.500 -0.000 0.000 0.722 392 K HN -0.115 nan 8.250 nan 0.000 0.443 393 K N 0.220 120.622 120.400 0.002 0.000 2.057 393 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 393 K C 1.905 178.509 176.600 0.006 0.000 1.049 393 K CA 1.275 57.565 56.287 0.004 0.000 0.931 393 K CB -0.148 32.354 32.500 0.003 0.000 0.714 393 K HN 0.199 nan 8.250 nan 0.000 0.440 394 A N 1.141 123.964 122.820 0.004 0.000 1.972 394 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 394 A C 2.040 179.626 177.584 0.004 0.000 1.169 394 A CA 1.241 53.279 52.037 0.002 0.000 0.635 394 A CB -0.349 18.650 19.000 -0.002 0.000 0.810 394 A HN 0.289 nan 8.150 nan 0.000 0.446 395 R N -0.918 119.584 120.500 0.004 0.000 2.153 395 R HA 0.024 4.364 4.340 -0.000 0.000 0.218 395 R C 1.873 178.180 176.300 0.012 0.000 1.072 395 R CA 1.062 57.166 56.100 0.006 0.000 0.990 395 R CB -0.177 30.125 30.300 0.002 0.000 0.889 395 R HN 0.407 nan 8.270 nan 0.000 0.452 396 V N 0.906 120.828 119.914 0.013 0.000 2.453 396 V HA -0.166 3.954 4.120 -0.000 0.000 0.247 396 V C 1.820 177.932 176.094 0.029 0.000 1.048 396 V CA 1.577 63.887 62.300 0.016 0.000 1.049 396 V CB -0.273 31.556 31.823 0.010 0.000 0.672 396 V HN 0.308 nan 8.190 nan 0.000 0.457 397 E N 0.001 120.221 120.200 0.033 0.000 2.153 397 E HA -0.238 4.112 4.350 -0.000 0.000 0.194 397 E C 1.589 178.248 176.600 0.098 0.000 0.988 397 E CA 1.572 58.007 56.400 0.057 0.000 0.811 397 E CB -0.056 29.667 29.700 0.038 0.000 0.746 397 E HN 0.611 nan 8.360 nan 0.000 0.466 398 D N -0.761 119.674 120.400 0.058 0.000 2.346 398 D HA 0.080 4.720 4.640 -0.000 0.000 0.206 398 D C 1.508 177.855 176.300 0.078 0.000 1.001 398 D CA 0.536 54.571 54.000 0.059 0.000 0.871 398 D CB 0.261 41.062 40.800 0.003 0.000 0.943 398 D HN 0.121 nan 8.370 nan 0.000 0.518 399 A N 0.333 123.185 122.820 0.054 0.000 1.968 399 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 399 A C 1.962 179.571 177.584 0.041 0.000 1.169 399 A CA 0.719 52.779 52.037 0.039 0.000 0.638 399 A CB -0.506 18.507 19.000 0.022 0.000 0.812 399 A HN 0.270 nan 8.150 nan 0.000 0.446 400 L N -0.986 120.264 121.223 0.045 0.000 2.093 400 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 400 L C 2.315 179.179 176.870 -0.010 0.000 1.085 400 L CA 1.990 56.833 54.840 0.005 0.000 0.755 400 L CB -0.643 41.405 42.059 -0.018 0.000 0.904 400 L HN 0.509 nan 8.230 nan 0.000 0.435 401 H N -0.868 118.196 119.070 -0.009 0.000 2.389 401 H HA -0.023 4.533 4.556 -0.000 0.000 0.299 401 H C 2.055 177.379 175.328 -0.005 0.000 1.081 401 H CA 1.358 57.401 56.048 -0.008 0.000 1.345 401 H CB 0.144 29.900 29.762 -0.010 0.000 1.393 401 H HN 0.525 nan 8.280 nan 0.000 0.520 402 A N 0.186 123.072 122.820 0.111 0.000 1.929 402 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 402 A C 2.550 180.152 177.584 0.030 0.000 1.176 402 A CA 1.660 53.733 52.037 0.060 0.000 0.628 402 A CB -0.618 18.409 19.000 0.044 0.000 0.816 402 A HN 0.333 nan 8.150 nan 0.000 0.444 403 T N -0.476 114.089 114.554 0.018 0.000 2.821 403 T HA -0.090 4.260 4.350 -0.000 0.000 0.267 403 T C 2.109 176.802 174.700 -0.011 0.000 1.046 403 T CA 1.007 63.108 62.100 0.001 0.000 1.139 403 T CB -0.212 68.654 68.868 -0.004 0.000 0.871 403 T HN 0.290 nan 8.240 nan 0.000 0.454 404 R N 1.246 121.729 120.500 -0.028 0.000 2.083 404 R HA 0.013 4.353 4.340 -0.000 0.000 0.237 404 R C 2.647 178.935 176.300 -0.020 0.000 1.137 404 R CA 1.624 57.697 56.100 -0.046 0.000 0.951 404 R CB -0.901 29.337 30.300 -0.105 0.000 0.851 404 R HN 0.447 nan 8.270 nan 0.000 0.434 405 A N 0.286 123.106 122.820 0.000 0.000 2.014 405 A HA 0.057 4.377 4.320 -0.000 0.000 0.218 405 A C 2.191 179.783 177.584 0.012 0.000 1.163 405 A CA 1.301 53.346 52.037 0.015 0.000 0.652 405 A CB -0.256 18.765 19.000 0.034 0.000 0.808 405 A HN 0.353 nan 8.150 nan 0.000 0.449 406 A N -0.658 122.168 122.820 0.009 0.000 2.066 406 A HA 0.150 4.470 4.320 -0.000 0.000 0.218 406 A C 2.011 179.597 177.584 0.004 0.000 1.157 406 A CA 1.562 53.603 52.037 0.008 0.000 0.670 406 A CB -0.372 18.632 19.000 0.007 0.000 0.804 406 A HN 0.323 nan 8.150 nan 0.000 0.453 407 V N -0.546 119.367 119.914 -0.001 0.000 2.575 407 V HA -0.118 4.002 4.120 -0.000 0.000 0.242 407 V C 2.252 178.345 176.094 -0.002 0.000 1.045 407 V CA 1.608 63.906 62.300 -0.004 0.000 1.065 407 V CB -0.558 31.259 31.823 -0.010 0.000 0.717 407 V HN 0.572 nan 8.190 nan 0.000 0.467 408 E N 0.173 120.373 120.200 -0.001 0.000 2.047 408 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 408 E C 1.872 178.476 176.600 0.006 0.000 0.987 408 E CA 1.493 57.894 56.400 0.001 0.000 0.799 408 E CB 0.065 29.767 29.700 0.003 0.000 0.752 408 E HN 0.640 nan 8.360 nan 0.000 0.449 409 E N -1.086 119.120 120.200 0.010 0.000 2.474 409 E HA 0.208 4.558 4.350 -0.000 0.000 0.215 409 E C 0.519 177.126 176.600 0.012 0.000 0.867 409 E CA 0.280 56.687 56.400 0.012 0.000 1.135 409 E CB 1.762 31.472 29.700 0.017 0.000 1.147 409 E HN 0.199 nan 8.360 nan 0.000 0.534 410 G N 1.219 110.025 108.800 0.011 0.000 2.466 410 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.316 410 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.316 410 G C -0.806 174.103 174.900 0.014 0.000 1.270 410 G CA -0.522 44.585 45.100 0.011 0.000 0.982 410 G HN 0.396 nan 8.290 nan 0.000 0.506 411 V N -2.021 117.901 119.914 0.014 0.000 2.588 411 V HA 0.890 5.010 4.120 -0.000 0.000 0.304 411 V C 0.743 176.847 176.094 0.016 0.000 1.042 411 V CA -0.078 62.231 62.300 0.015 0.000 0.877 411 V CB 0.795 32.626 31.823 0.013 0.000 0.996 411 V HN 2.178 nan 8.190 nan 0.000 0.425 412 V N 1.516 121.441 119.914 0.018 0.000 3.302 412 V HA 0.987 5.107 4.120 -0.000 0.000 0.316 412 V C 0.810 176.916 176.094 0.020 0.000 1.111 412 V CA -0.419 61.893 62.300 0.020 0.000 1.029 412 V CB 1.329 33.165 31.823 0.022 0.000 1.170 412 V HN 1.667 nan 8.190 nan 0.000 0.452 413 A N 0.831 123.665 122.820 0.023 0.000 2.454 413 A HA 0.652 4.972 4.320 -0.000 0.000 0.260 413 A C 0.825 178.421 177.584 0.019 0.000 1.106 413 A CA 0.374 52.425 52.037 0.023 0.000 0.780 413 A CB -0.518 18.501 19.000 0.032 0.000 1.044 413 A HN 1.700 nan 8.150 nan 0.000 0.498 414 G N 0.863 109.670 108.800 0.012 0.000 2.486 414 G HA2 0.490 4.450 3.960 -0.000 0.000 0.272 414 G HA3 0.490 4.450 3.960 -0.000 0.000 0.272 414 G C 1.178 176.084 174.900 0.009 0.000 1.426 414 G CA 0.026 45.131 45.100 0.008 0.000 1.058 414 G HN 2.241 nan 8.290 nan 0.000 0.531 415 G N -2.342 106.462 108.800 0.007 0.000 2.155 415 G HA2 0.203 4.163 3.960 -0.000 0.000 0.257 415 G HA3 0.203 4.163 3.960 -0.000 0.000 0.257 415 G C 1.525 176.441 174.900 0.027 0.000 0.983 415 G CA 1.114 46.223 45.100 0.015 0.000 0.676 415 G HN 2.513 nan 8.290 nan 0.000 0.528 416 G N -2.082 106.732 108.800 0.023 0.000 2.168 416 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.257 416 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.257 416 G C 1.785 176.703 174.900 0.030 0.000 0.997 416 G CA 1.965 47.080 45.100 0.025 0.000 0.708 416 G HN 2.246 nan 8.290 nan 0.000 0.520 417 V N -2.837 117.096 119.914 0.032 0.000 2.788 417 V HA 0.447 4.567 4.120 -0.000 0.000 0.251 417 V C 2.740 178.858 176.094 0.040 0.000 1.068 417 V CA 1.665 63.989 62.300 0.040 0.000 1.090 417 V CB -0.583 31.266 31.823 0.042 0.000 0.710 417 V HN 1.297 nan 8.190 nan 0.000 0.467 418 A N 1.269 124.109 122.820 0.034 0.000 1.883 418 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 418 A C 2.203 179.805 177.584 0.031 0.000 1.186 418 A CA 2.401 54.457 52.037 0.032 0.000 0.624 418 A CB -0.726 18.291 19.000 0.028 0.000 0.822 418 A HN 0.592 nan 8.150 nan 0.000 0.444 419 L N -1.082 120.159 121.223 0.029 0.000 2.056 419 L HA -0.039 4.301 4.340 -0.000 0.000 0.207 419 L C 2.444 179.330 176.870 0.028 0.000 1.078 419 L CA 1.141 55.997 54.840 0.027 0.000 0.749 419 L CB -0.320 41.754 42.059 0.025 0.000 0.901 419 L HN 0.433 nan 8.230 nan 0.000 0.433 420 I N -0.542 120.047 120.570 0.032 0.000 2.676 420 I HA -0.229 3.941 4.170 -0.000 0.000 0.259 420 I C 2.638 178.778 176.117 0.038 0.000 1.194 420 I CA 0.639 61.959 61.300 0.034 0.000 1.473 420 I CB 0.070 38.092 38.000 0.038 0.000 1.096 420 I HN 0.173 nan 8.210 nan 0.000 0.443 421 R N 0.039 120.564 120.500 0.041 0.000 2.093 421 R HA -0.029 4.310 4.340 -0.000 0.000 0.224 421 R C 1.978 178.298 176.300 0.033 0.000 1.101 421 R CA 1.347 57.472 56.100 0.043 0.000 0.979 421 R CB -0.669 29.660 30.300 0.047 0.000 0.877 421 R HN 0.188 nan 8.270 nan 0.000 0.441 422 V N 0.816 120.747 119.914 0.028 0.000 2.407 422 V HA -0.187 3.933 4.120 -0.000 0.000 0.248 422 V C 2.265 178.372 176.094 0.021 0.000 1.055 422 V CA 1.810 64.124 62.300 0.023 0.000 1.049 422 V CB -0.795 31.040 31.823 0.021 0.000 0.662 422 V HN 0.473 nan 8.190 nan 0.000 0.455 423 A N 0.808 123.641 122.820 0.022 0.000 1.908 423 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 423 A C 2.534 180.129 177.584 0.019 0.000 1.181 423 A CA 2.445 54.494 52.037 0.019 0.000 0.627 423 A CB -0.791 18.221 19.000 0.021 0.000 0.818 423 A HN 0.699 nan 8.150 nan 0.000 0.445 424 S N -0.640 115.073 115.700 0.022 0.000 2.453 424 S HA -0.043 4.427 4.470 -0.000 0.000 0.231 424 S C 1.581 176.191 174.600 0.017 0.000 1.005 424 S CA 1.295 59.507 58.200 0.020 0.000 0.949 424 S CB -0.225 62.990 63.200 0.025 0.000 0.774 424 S HN 0.588 nan 8.310 nan 0.000 0.510 425 K N 0.379 120.789 120.400 0.017 0.000 2.426 425 K HA 0.346 4.666 4.320 -0.000 0.000 0.193 425 K C 0.632 177.239 176.600 0.012 0.000 1.028 425 K CA 0.217 56.513 56.287 0.015 0.000 1.047 425 K CB 0.028 32.538 32.500 0.016 0.000 0.821 425 K HN 0.384 nan 8.250 nan 0.000 0.513 426 L N -0.261 120.969 121.223 0.012 0.000 3.066 426 L HA 0.255 4.595 4.340 -0.000 0.000 0.265 426 L C 1.423 178.299 176.870 0.009 0.000 1.232 426 L CA -0.189 54.657 54.840 0.010 0.000 1.031 426 L CB 0.589 42.654 42.059 0.010 0.000 1.379 426 L HN 0.032 nan 8.230 nan 0.000 0.563 427 A N -0.474 122.352 122.820 0.009 0.000 2.067 427 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 427 A C 1.537 179.125 177.584 0.006 0.000 1.158 427 A CA 1.330 53.371 52.037 0.008 0.000 0.661 427 A CB -0.133 18.872 19.000 0.008 0.000 0.801 427 A HN 0.288 nan 8.150 nan 0.000 0.452 428 D N -1.029 119.375 120.400 0.006 0.000 2.340 428 D HA 0.128 4.768 4.640 -0.000 0.000 0.220 428 D C 0.184 176.487 176.300 0.005 0.000 1.039 428 D CA -0.050 53.953 54.000 0.005 0.000 0.866 428 D CB -0.047 40.756 40.800 0.005 0.000 0.913 428 D HN 0.339 nan 8.370 nan 0.000 0.523 429 L N 1.653 122.880 121.223 0.005 0.000 2.410 429 L HA 0.168 4.508 4.340 -0.000 0.000 0.273 429 L C 0.088 176.961 176.870 0.004 0.000 1.152 429 L CA 0.419 55.261 54.840 0.005 0.000 0.855 429 L CB 0.246 42.308 42.059 0.005 0.000 1.129 429 L HN -0.242 nan 8.230 nan 0.000 0.463 430 R N 2.997 123.499 120.500 0.004 0.000 2.867 430 R HA 0.631 4.971 4.340 -0.000 0.000 0.268 430 R C -0.067 176.235 176.300 0.003 0.000 1.014 430 R CA -0.278 55.824 56.100 0.003 0.000 0.946 430 R CB 1.496 31.797 30.300 0.003 0.000 1.208 430 R HN 0.807 nan 8.270 nan 0.000 0.477 431 G N -0.108 108.694 108.800 0.003 0.000 3.075 431 G HA2 0.140 4.100 3.960 -0.000 0.000 0.156 431 G HA3 0.140 4.100 3.960 -0.000 0.000 0.156 431 G C 0.206 175.107 174.900 0.002 0.000 1.403 431 G CA 0.053 45.154 45.100 0.003 0.000 1.033 431 G HN 0.440 nan 8.290 nan 0.000 0.589 432 Q N -0.672 119.129 119.800 0.002 0.000 2.442 432 Q HA 0.165 4.505 4.340 -0.000 0.000 0.228 432 Q C 0.001 176.002 176.000 0.002 0.000 0.902 432 Q CA 0.274 56.078 55.803 0.002 0.000 0.933 432 Q CB 0.459 29.198 28.738 0.002 0.000 1.071 432 Q HN 0.624 nan 8.270 nan 0.000 0.562 433 N N -1.268 117.434 118.700 0.002 0.000 2.629 433 N HA 0.068 4.808 4.740 -0.000 0.000 0.279 433 N C 0.128 175.639 175.510 0.003 0.000 1.344 433 N CA -0.483 52.568 53.050 0.002 0.000 0.789 433 N CB 0.527 39.016 38.487 0.002 0.000 1.508 433 N HN -0.259 nan 8.380 nan 0.000 0.516 434 E N -0.322 119.880 120.200 0.002 0.000 2.097 434 E HA -0.188 4.162 4.350 -0.000 0.000 0.196 434 E C 0.415 177.017 176.600 0.003 0.000 1.000 434 E CA 1.725 58.127 56.400 0.003 0.000 0.804 434 E CB -0.323 29.379 29.700 0.002 0.000 0.740 434 E HN 0.593 nan 8.360 nan 0.000 0.454 435 D N -0.074 120.328 120.400 0.003 0.000 2.144 435 D HA -0.145 4.495 4.640 -0.000 0.000 0.199 435 D C 1.861 178.164 176.300 0.004 0.000 0.984 435 D CA 0.897 54.900 54.000 0.004 0.000 0.834 435 D CB -0.199 40.603 40.800 0.004 0.000 0.955 435 D HN 0.392 nan 8.370 nan 0.000 0.465 436 Q N 0.069 119.871 119.800 0.004 0.000 2.123 436 Q HA -0.062 4.278 4.340 -0.000 0.000 0.199 436 Q C 1.781 177.783 176.000 0.004 0.000 0.966 436 Q CA 0.540 56.345 55.803 0.004 0.000 0.845 436 Q CB 0.043 28.783 28.738 0.003 0.000 0.907 436 Q HN 0.235 nan 8.270 nan 0.000 0.439 437 N N 0.133 118.836 118.700 0.004 0.000 2.166 437 N HA -0.125 4.615 4.740 -0.000 0.000 0.186 437 N C 1.815 177.328 175.510 0.004 0.000 1.019 437 N CA 1.050 54.102 53.050 0.004 0.000 0.856 437 N CB -0.138 38.351 38.487 0.003 0.000 0.993 437 N HN 0.063 nan 8.380 nan 0.000 0.426 438 V N 0.566 120.483 119.914 0.004 0.000 2.453 438 V HA -0.068 4.052 4.120 -0.000 0.000 0.247 438 V C 2.443 178.541 176.094 0.006 0.000 1.048 438 V CA 1.730 64.032 62.300 0.005 0.000 1.049 438 V CB -1.145 30.681 31.823 0.005 0.000 0.672 438 V HN 0.298 nan 8.190 nan 0.000 0.457 439 G N 0.330 109.134 108.800 0.006 0.000 2.442 439 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.219 439 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.219 439 G C 1.548 176.452 174.900 0.006 0.000 1.141 439 G CA 1.156 46.259 45.100 0.006 0.000 0.763 439 G HN 0.515 nan 8.290 nan 0.000 0.554 440 I N 0.159 120.733 120.570 0.006 0.000 2.233 440 I HA -0.076 4.094 4.170 -0.000 0.000 0.243 440 I C 2.588 178.709 176.117 0.007 0.000 1.093 440 I CA 0.892 62.196 61.300 0.006 0.000 1.380 440 I CB -0.082 37.921 38.000 0.005 0.000 1.067 440 I HN -0.061 nan 8.210 nan 0.000 0.413 441 K N 0.616 121.020 120.400 0.007 0.000 2.209 441 K HA -0.054 4.266 4.320 -0.000 0.000 0.204 441 K C 2.137 178.742 176.600 0.008 0.000 1.048 441 K CA 0.927 57.219 56.287 0.007 0.000 0.940 441 K CB -0.495 32.009 32.500 0.006 0.000 0.729 441 K HN 0.221 nan 8.250 nan 0.000 0.451 442 V N 1.456 121.375 119.914 0.008 0.000 2.307 442 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 442 V C 2.437 178.537 176.094 0.010 0.000 1.045 442 V CA 1.975 64.280 62.300 0.008 0.000 1.024 442 V CB -0.678 31.150 31.823 0.008 0.000 0.651 442 V HN 0.281 nan 8.190 nan 0.000 0.449 443 A N -0.470 122.355 122.820 0.010 0.000 1.930 443 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 443 A C 2.171 179.762 177.584 0.012 0.000 1.175 443 A CA 1.563 53.607 52.037 0.011 0.000 0.627 443 A CB -0.454 18.551 19.000 0.009 0.000 0.815 443 A HN 0.516 nan 8.150 nan 0.000 0.443 444 L N -1.410 119.819 121.223 0.011 0.000 2.156 444 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 444 L C 2.669 179.547 176.870 0.013 0.000 1.095 444 L CA 0.944 55.792 54.840 0.012 0.000 0.770 444 L CB -0.360 41.706 42.059 0.011 0.000 0.914 444 L HN 0.299 nan 8.230 nan 0.000 0.439 445 R N -0.200 120.307 120.500 0.011 0.000 2.276 445 R HA 0.037 4.377 4.340 -0.000 0.000 0.203 445 R C 2.191 178.498 176.300 0.011 0.000 1.017 445 R CA 0.771 56.878 56.100 0.011 0.000 1.010 445 R CB -0.079 30.227 30.300 0.009 0.000 0.900 445 R HN 0.295 nan 8.270 nan 0.000 0.469 446 A N 0.444 123.272 122.820 0.012 0.000 2.021 446 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 446 A C 1.923 179.516 177.584 0.015 0.000 1.163 446 A CA 0.637 52.682 52.037 0.014 0.000 0.676 446 A CB -0.109 18.899 19.000 0.015 0.000 0.818 446 A HN 0.150 nan 8.150 nan 0.000 0.453 447 M N -0.495 119.115 119.600 0.016 0.000 2.476 447 M HA -0.069 4.411 4.480 -0.000 0.000 0.262 447 M C 1.600 177.911 176.300 0.018 0.000 1.079 447 M CA 0.966 56.277 55.300 0.018 0.000 1.104 447 M CB -0.154 32.457 32.600 0.019 0.000 1.409 447 M HN 0.433 nan 8.290 nan 0.000 0.467 448 E N 0.389 120.599 120.200 0.016 0.000 2.216 448 E HA -0.067 4.283 4.350 -0.000 0.000 0.192 448 E C 2.150 178.757 176.600 0.012 0.000 0.988 448 E CA 0.834 57.243 56.400 0.015 0.000 0.834 448 E CB -0.047 29.660 29.700 0.013 0.000 0.772 448 E HN 0.515 nan 8.360 nan 0.000 0.479 449 A N 2.194 125.021 122.820 0.011 0.000 1.908 449 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 449 A C -0.325 177.264 177.584 0.009 0.000 1.181 449 A CA 1.172 53.214 52.037 0.008 0.000 0.627 449 A CB -1.399 17.606 19.000 0.009 0.000 0.818 449 A HN 0.129 nan 8.150 nan 0.000 0.445 450 P HA -0.187 nan 4.420 nan 0.000 0.214 450 P C 1.810 179.118 177.300 0.013 0.000 1.163 450 P CA 1.080 64.188 63.100 0.014 0.000 0.889 450 P CB -0.137 31.573 31.700 0.017 0.000 0.790 451 L N -0.722 120.510 121.223 0.015 0.000 1.989 451 L HA -0.198 4.142 4.340 -0.000 0.000 0.211 451 L C 2.506 179.375 176.870 -0.001 0.000 1.071 451 L CA 1.794 56.643 54.840 0.015 0.000 0.749 451 L CB -0.359 41.711 42.059 0.019 0.000 0.890 451 L HN -0.197 nan 8.230 nan 0.000 0.431 452 R N -0.860 119.636 120.500 -0.006 0.000 2.127 452 R HA -0.240 4.099 4.340 -0.000 0.000 0.238 452 R C 2.294 178.584 176.300 -0.016 0.000 1.134 452 R CA 1.691 57.780 56.100 -0.018 0.000 0.975 452 R CB -0.277 30.016 30.300 -0.011 0.000 0.865 452 R HN 0.409 nan 8.270 nan 0.000 0.447 453 Q N 0.743 120.540 119.800 -0.005 0.000 2.172 453 Q HA -0.013 4.327 4.340 -0.000 0.000 0.200 453 Q C 1.771 177.771 176.000 0.000 0.000 0.964 453 Q CA 1.277 57.079 55.803 -0.002 0.000 0.855 453 Q CB 0.066 28.805 28.738 0.002 0.000 0.918 453 Q HN 0.338 nan 8.270 nan 0.000 0.444 454 I N -0.846 119.728 120.570 0.007 0.000 2.252 454 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 454 I C 1.900 178.030 176.117 0.022 0.000 1.102 454 I CA 0.706 62.018 61.300 0.020 0.000 1.385 454 I CB -0.246 37.776 38.000 0.036 0.000 1.064 454 I HN 0.010 nan 8.210 nan 0.000 0.414 455 V N 0.705 120.613 119.914 -0.010 0.000 2.407 455 V HA -0.251 3.868 4.120 -0.000 0.000 0.248 455 V C 2.394 178.462 176.094 -0.043 0.000 1.055 455 V CA 1.436 63.697 62.300 -0.065 0.000 1.049 455 V CB -0.520 31.199 31.823 -0.173 0.000 0.662 455 V HN 0.345 nan 8.190 nan 0.000 0.455 456 L N 0.958 122.164 121.223 -0.028 0.000 2.046 456 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 456 L C 2.155 179.021 176.870 -0.007 0.000 1.077 456 L CA 1.909 56.738 54.840 -0.019 0.000 0.747 456 L CB -0.787 41.264 42.059 -0.014 0.000 0.896 456 L HN 0.332 nan 8.230 nan 0.000 0.432 457 N N -1.542 117.158 118.700 0.001 0.000 2.309 457 N HA -0.178 4.562 4.740 -0.000 0.000 0.182 457 N C 1.835 177.353 175.510 0.013 0.000 1.018 457 N CA 1.361 54.415 53.050 0.006 0.000 0.876 457 N CB -0.984 37.508 38.487 0.008 0.000 0.972 457 N HN 0.456 nan 8.380 nan 0.000 0.434 458 C N -0.130 119.184 119.300 0.023 0.000 2.522 458 C HA 0.305 4.764 4.460 -0.000 0.000 0.271 458 C C 1.814 176.820 174.990 0.027 0.000 1.425 458 C CA 0.814 59.857 59.018 0.042 0.000 1.751 458 C CB -1.560 26.243 27.740 0.104 0.000 1.775 458 C HN 0.636 nan 8.230 nan 0.000 0.557 459 G N 0.391 109.196 108.800 0.008 0.000 2.253 459 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.251 459 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.251 459 G C 0.017 174.913 174.900 -0.007 0.000 0.998 459 G CA 0.385 45.486 45.100 0.002 0.000 0.621 459 G HN 0.572 nan 8.290 nan 0.000 0.524 460 E N 1.316 121.505 120.200 -0.019 0.000 2.374 460 E HA 0.337 4.687 4.350 -0.000 0.000 0.260 460 E C 0.373 176.934 176.600 -0.065 0.000 1.101 460 E CA -0.277 56.094 56.400 -0.047 0.000 0.907 460 E CB 0.481 30.125 29.700 -0.094 0.000 1.014 460 E HN 0.592 nan 8.360 nan 0.000 0.427 461 E N 3.034 123.200 120.200 -0.056 0.000 2.265 461 E HA 0.004 4.354 4.350 -0.000 0.000 0.272 461 E C -1.400 175.157 176.600 -0.073 0.000 1.067 461 E CA -1.356 55.015 56.400 -0.048 0.000 0.900 461 E CB 0.678 30.361 29.700 -0.028 0.000 1.017 461 E HN 0.227 nan 8.360 nan 0.000 0.431 462 P HA -0.198 nan 4.420 nan 0.000 0.217 462 P C 1.107 178.375 177.300 -0.053 0.000 1.150 462 P CA 1.172 64.229 63.100 -0.072 0.000 0.832 462 P CB 0.237 31.910 31.700 -0.046 0.000 0.787 463 S N 0.058 115.738 115.700 -0.033 0.000 2.370 463 S HA -0.115 4.355 4.470 -0.000 0.000 0.226 463 S C 2.159 176.750 174.600 -0.015 0.000 1.033 463 S CA 1.534 59.723 58.200 -0.019 0.000 1.011 463 S CB -1.881 61.312 63.200 -0.012 0.000 0.852 463 S HN -0.009 nan 8.310 nan 0.000 0.457 464 V N 1.633 121.535 119.914 -0.020 0.000 2.307 464 V HA -0.098 4.022 4.120 -0.000 0.000 0.245 464 V C 2.591 178.688 176.094 0.005 0.000 1.045 464 V CA 1.448 63.744 62.300 -0.006 0.000 1.024 464 V CB -0.813 31.008 31.823 -0.002 0.000 0.651 464 V HN 0.422 nan 8.190 nan 0.000 0.449 465 V N 0.351 120.244 119.914 -0.035 0.000 2.358 465 V HA -0.185 3.935 4.120 -0.000 0.000 0.246 465 V C 2.724 178.833 176.094 0.026 0.000 1.047 465 V CA 1.884 64.167 62.300 -0.030 0.000 1.035 465 V CB -1.052 30.576 31.823 -0.326 0.000 0.658 465 V HN 0.536 nan 8.190 nan 0.000 0.452 466 A N 0.262 123.077 122.820 -0.008 0.000 1.933 466 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 466 A C 2.037 179.642 177.584 0.036 0.000 1.175 466 A CA 2.292 54.340 52.037 0.017 0.000 0.628 466 A CB -0.838 18.164 19.000 0.002 0.000 0.814 466 A HN 0.600 nan 8.150 nan 0.000 0.444 467 N N -0.683 118.032 118.700 0.025 0.000 2.244 467 N HA -0.099 4.641 4.740 -0.000 0.000 0.183 467 N C 1.589 177.120 175.510 0.035 0.000 1.016 467 N CA 1.992 55.057 53.050 0.025 0.000 0.866 467 N CB -0.193 38.302 38.487 0.012 0.000 0.980 467 N HN 0.441 nan 8.380 nan 0.000 0.430 468 T N -1.079 113.501 114.554 0.044 0.000 2.896 468 T HA -0.002 4.348 4.350 -0.000 0.000 0.263 468 T C 1.939 176.718 174.700 0.132 0.000 1.050 468 T CA 0.750 62.868 62.100 0.031 0.000 1.140 468 T CB -0.227 68.596 68.868 -0.076 0.000 0.877 468 T HN -0.018 nan 8.240 nan 0.000 0.457 469 V N 1.564 121.574 119.914 0.161 0.000 2.427 469 V HA -0.118 4.002 4.120 -0.000 0.000 0.248 469 V C 2.457 178.661 176.094 0.182 0.000 1.051 469 V CA 1.434 63.857 62.300 0.206 0.000 1.048 469 V CB -0.462 31.443 31.823 0.137 0.000 0.666 469 V HN 0.438 nan 8.190 nan 0.000 0.456 470 K N 0.188 120.653 120.400 0.109 0.000 2.148 470 K HA -0.066 4.254 4.320 -0.000 0.000 0.204 470 K C 2.241 178.878 176.600 0.062 0.000 1.050 470 K CA 1.251 57.584 56.287 0.076 0.000 0.942 470 K CB -0.495 32.033 32.500 0.048 0.000 0.724 470 K HN 0.557 nan 8.250 nan 0.000 0.446 471 G N 1.239 110.071 108.800 0.054 0.000 2.402 471 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.216 471 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.216 471 G C 0.760 175.654 174.900 -0.011 0.000 1.162 471 G CA 0.678 45.787 45.100 0.014 0.000 0.777 471 G HN 0.372 nan 8.290 nan 0.000 0.539 472 G N -0.608 108.193 108.800 0.003 0.000 2.572 472 G HA2 0.467 4.427 3.960 -0.000 0.000 0.261 472 G HA3 0.467 4.427 3.960 -0.000 0.000 0.261 472 G C -1.076 173.838 174.900 0.024 0.000 1.197 472 G CA -0.362 44.673 45.100 -0.109 0.000 0.870 472 G HN 0.139 nan 8.290 nan 0.000 0.548 473 D N -0.926 119.463 120.400 -0.018 0.000 2.419 473 D HA 0.612 5.251 4.640 -0.000 0.000 0.234 473 D C 0.824 177.167 176.300 0.072 0.000 1.014 473 D CA 0.948 54.969 54.000 0.036 0.000 0.919 473 D CB 1.921 42.723 40.800 0.003 0.000 1.366 473 D HN 0.873 nan 8.370 nan 0.000 0.490 474 G N 1.480 110.327 108.800 0.077 0.000 2.496 474 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.243 474 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.243 474 G C 0.096 175.060 174.900 0.107 0.000 1.176 474 G CA -0.358 44.790 45.100 0.080 0.000 0.940 474 G HN 0.591 nan 8.290 nan 0.000 0.573 475 N N 0.501 119.267 118.700 0.110 0.000 2.346 475 N HA 0.178 4.918 4.740 -0.000 0.000 0.225 475 N C -0.271 175.326 175.510 0.145 0.000 1.144 475 N CA -0.041 53.070 53.050 0.102 0.000 0.837 475 N CB 0.345 38.873 38.487 0.070 0.000 1.069 475 N HN 0.443 nan 8.380 nan 0.000 0.487 476 Y N 1.173 121.504 120.300 0.052 0.000 2.393 476 Y HA 0.420 4.970 4.550 -0.000 0.000 0.338 476 Y C 0.457 176.424 175.900 0.112 0.000 1.029 476 Y CA -0.194 57.951 58.100 0.075 0.000 1.239 476 Y CB 0.455 38.951 38.460 0.060 0.000 1.170 476 Y HN -0.011 nan 8.280 nan 0.000 0.515 477 G N 4.186 112.793 108.800 -0.320 0.000 2.870 477 G HA2 0.257 4.217 3.960 -0.000 0.000 0.299 477 G HA3 0.257 4.217 3.960 -0.000 0.000 0.299 477 G C -2.425 172.383 174.900 -0.153 0.000 1.324 477 G CA -0.897 44.088 45.100 -0.192 0.000 0.808 477 G HN 0.521 nan 8.290 nan 0.000 0.535 478 Y N 1.274 121.455 120.300 -0.199 0.000 2.335 478 Y HA 0.578 5.127 4.550 -0.000 0.000 0.338 478 Y C -0.238 175.519 175.900 -0.238 0.000 0.977 478 Y CA -1.230 56.674 58.100 -0.327 0.000 1.114 478 Y CB 1.634 39.887 38.460 -0.344 0.000 1.182 478 Y HN 0.414 nan 8.280 nan 0.000 0.463 479 N N 4.596 122.821 118.700 -0.793 0.000 2.437 479 N HA 0.226 4.966 4.740 -0.000 0.000 0.243 479 N C 0.289 175.276 175.510 -0.871 0.000 1.041 479 N CA 0.511 53.199 53.050 -0.603 0.000 0.940 479 N CB 1.550 39.795 38.487 -0.403 0.000 1.133 479 N HN 0.915 nan 8.380 nan 0.000 0.506 480 A N 3.696 126.250 122.820 -0.444 0.000 2.014 480 A HA 0.045 4.365 4.320 -0.000 0.000 0.218 480 A C 1.984 179.474 177.584 -0.156 0.000 1.163 480 A CA 1.412 53.335 52.037 -0.191 0.000 0.652 480 A CB -0.398 18.634 19.000 0.053 0.000 0.808 480 A HN 0.698 nan 8.150 nan 0.000 0.449 481 A N -0.210 122.513 122.820 -0.161 0.000 1.898 481 A HA -0.055 4.265 4.320 -0.000 0.000 0.216 481 A C 2.283 179.794 177.584 -0.123 0.000 1.181 481 A CA 2.279 54.250 52.037 -0.110 0.000 0.620 481 A CB -0.913 18.034 19.000 -0.090 0.000 0.819 481 A HN 0.726 nan 8.150 nan 0.000 0.442 482 T N -3.865 110.579 114.554 -0.183 0.000 3.040 482 T HA 0.270 4.620 4.350 -0.000 0.000 0.250 482 T C 0.298 174.885 174.700 -0.188 0.000 1.058 482 T CA 0.654 62.660 62.100 -0.157 0.000 0.988 482 T CB -0.178 68.605 68.868 -0.143 0.000 0.993 482 T HN 0.571 nan 8.240 nan 0.000 0.519 483 E N 1.033 121.050 120.200 -0.305 0.000 2.586 483 E HA -0.142 4.207 4.350 -0.000 0.000 0.259 483 E C -0.729 175.675 176.600 -0.327 0.000 1.107 483 E CA 0.547 56.768 56.400 -0.298 0.000 0.754 483 E CB -0.999 28.675 29.700 -0.044 0.000 1.335 483 E HN 0.642 nan 8.360 nan 0.000 0.411 484 E N -0.231 119.688 120.200 -0.468 0.000 2.212 484 E HA 0.361 4.711 4.350 -0.000 0.000 0.268 484 E C -0.468 175.894 176.600 -0.397 0.000 0.902 484 E CA -0.623 55.611 56.400 -0.276 0.000 0.779 484 E CB 1.075 30.692 29.700 -0.139 0.000 1.172 484 E HN 0.050 nan 8.360 nan 0.000 0.409 485 Y N 0.162 120.416 120.300 -0.076 0.000 2.326 485 Y HA 0.571 5.121 4.550 -0.000 0.000 0.324 485 Y C 1.236 177.093 175.900 -0.071 0.000 1.291 485 Y CA 0.594 58.632 58.100 -0.103 0.000 1.348 485 Y CB 1.579 40.039 38.460 -0.001 0.000 1.294 485 Y HN 0.701 nan 8.280 nan 0.000 0.525 486 G N 0.538 109.365 108.800 0.046 0.000 2.356 486 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.288 486 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.288 486 G C -1.811 173.146 174.900 0.095 0.000 1.302 486 G CA -1.247 43.938 45.100 0.142 0.000 0.887 486 G HN 0.541 nan 8.290 nan 0.000 0.521 487 N N 0.927 119.704 118.700 0.128 0.000 2.452 487 N HA 0.099 4.839 4.740 -0.000 0.000 0.266 487 N C 1.741 177.273 175.510 0.036 0.000 1.209 487 N CA -0.316 52.792 53.050 0.097 0.000 0.929 487 N CB 0.729 39.269 38.487 0.088 0.000 1.063 487 N HN 0.398 nan 8.380 nan 0.000 0.472 488 M N 3.656 123.270 119.600 0.024 0.000 2.132 488 M HA -0.117 4.363 4.480 -0.000 0.000 0.263 488 M C 1.725 178.027 176.300 0.003 0.000 1.065 488 M CA 0.942 56.241 55.300 -0.002 0.000 1.122 488 M CB -0.630 31.969 32.600 -0.002 0.000 1.365 488 M HN 0.526 nan 8.290 nan 0.000 0.411 489 I N 0.775 121.355 120.570 0.016 0.000 2.226 489 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 489 I C 1.813 177.936 176.117 0.010 0.000 1.100 489 I CA 1.498 62.806 61.300 0.014 0.000 1.374 489 I CB -1.642 36.370 38.000 0.020 0.000 1.057 489 I HN 0.247 nan 8.210 nan 0.000 0.413 490 D N 0.350 120.760 120.400 0.015 0.000 2.219 490 D HA -0.113 4.527 4.640 -0.000 0.000 0.205 490 D C 2.186 178.487 176.300 0.002 0.000 0.970 490 D CA 0.976 54.984 54.000 0.012 0.000 0.851 490 D CB -0.074 40.739 40.800 0.021 0.000 0.943 490 D HN 0.343 nan 8.370 nan 0.000 0.488 491 M N -0.847 118.750 119.600 -0.005 0.000 2.561 491 M HA 0.134 4.614 4.480 -0.000 0.000 0.238 491 M C 1.106 177.392 176.300 -0.023 0.000 1.131 491 M CA 0.389 55.677 55.300 -0.020 0.000 1.046 491 M CB 0.677 33.254 32.600 -0.039 0.000 1.532 491 M HN 0.094 nan 8.290 nan 0.000 0.497 492 G N 1.708 110.500 108.800 -0.014 0.000 2.162 492 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.260 492 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.260 492 G C 0.125 175.016 174.900 -0.015 0.000 0.976 492 G CA -0.211 44.881 45.100 -0.012 0.000 0.655 492 G HN 0.480 nan 8.290 nan 0.000 0.533 493 I N 1.520 122.078 120.570 -0.020 0.000 2.308 493 I HA 0.497 4.667 4.170 -0.000 0.000 0.293 493 I C 0.262 176.373 176.117 -0.009 0.000 1.078 493 I CA -0.551 60.736 61.300 -0.021 0.000 1.292 493 I CB 0.383 38.361 38.000 -0.037 0.000 1.423 493 I HN 0.260 nan 8.210 nan 0.000 0.493 494 L N 4.035 125.256 121.223 -0.003 0.000 2.466 494 L HA 0.711 5.051 4.340 -0.000 0.000 0.258 494 L C -1.413 175.461 176.870 0.007 0.000 0.973 494 L CA -0.825 54.017 54.840 0.004 0.000 0.826 494 L CB 1.661 43.724 42.059 0.006 0.000 1.372 494 L HN 0.100 nan 8.230 nan 0.000 0.409 495 D N 1.137 121.544 120.400 0.011 0.000 2.375 495 D HA 0.480 5.120 4.640 -0.000 0.000 0.247 495 D C -2.703 173.607 176.300 0.018 0.000 1.061 495 D CA -1.282 52.727 54.000 0.015 0.000 0.834 495 D CB 2.302 43.112 40.800 0.016 0.000 1.247 495 D HN 0.372 nan 8.370 nan 0.000 0.489 496 P HA 0.027 nan 4.420 nan 0.000 0.264 496 P C 0.911 178.227 177.300 0.025 0.000 1.193 496 P CA 0.075 63.188 63.100 0.023 0.000 0.763 496 P CB 0.594 32.310 31.700 0.027 0.000 0.810 497 T N 2.627 117.195 114.554 0.023 0.000 2.699 497 T HA -0.230 4.120 4.350 -0.000 0.000 0.268 497 T C 1.625 176.343 174.700 0.030 0.000 1.036 497 T CA 1.371 63.486 62.100 0.024 0.000 1.147 497 T CB -0.318 68.563 68.868 0.021 0.000 0.862 497 T HN 0.494 nan 8.240 nan 0.000 0.446 498 K N 0.528 120.947 120.400 0.032 0.000 2.032 498 K HA -0.116 4.204 4.320 -0.000 0.000 0.209 498 K C 2.388 179.019 176.600 0.053 0.000 1.048 498 K CA 1.411 57.722 56.287 0.041 0.000 0.927 498 K CB -0.512 32.012 32.500 0.040 0.000 0.712 498 K HN 0.239 nan 8.250 nan 0.000 0.441 499 V N 0.814 120.756 119.914 0.047 0.000 2.427 499 V HA -0.197 3.923 4.120 -0.000 0.000 0.248 499 V C 1.655 177.779 176.094 0.051 0.000 1.051 499 V CA 2.548 64.877 62.300 0.049 0.000 1.048 499 V CB -0.391 31.454 31.823 0.036 0.000 0.666 499 V HN 0.469 nan 8.190 nan 0.000 0.456 500 T N 0.070 114.650 114.554 0.042 0.000 2.904 500 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 500 T C 1.951 176.679 174.700 0.047 0.000 1.059 500 T CA 1.530 63.654 62.100 0.041 0.000 1.137 500 T CB -0.299 68.588 68.868 0.032 0.000 0.879 500 T HN 0.519 nan 8.240 nan 0.000 0.467 501 R N 1.031 121.558 120.500 0.046 0.000 2.075 501 R HA -0.055 4.285 4.340 -0.000 0.000 0.232 501 R C 2.508 178.848 176.300 0.066 0.000 1.126 501 R CA 1.504 57.630 56.100 0.043 0.000 0.963 501 R CB -0.295 30.026 30.300 0.034 0.000 0.858 501 R HN 0.227 nan 8.270 nan 0.000 0.435 502 S N 0.537 116.301 115.700 0.107 0.000 2.356 502 S HA -0.112 4.357 4.470 -0.000 0.000 0.223 502 S C 1.997 176.744 174.600 0.246 0.000 1.032 502 S CA 1.177 59.508 58.200 0.219 0.000 1.005 502 S CB -0.222 63.113 63.200 0.224 0.000 0.867 502 S HN 0.563 nan 8.310 nan 0.000 0.449 503 A N 1.008 123.911 122.820 0.138 0.000 1.940 503 A HA -0.076 4.244 4.320 -0.000 0.000 0.219 503 A C 2.124 179.770 177.584 0.104 0.000 1.176 503 A CA 1.417 53.519 52.037 0.108 0.000 0.631 503 A CB -0.581 18.456 19.000 0.061 0.000 0.814 503 A HN 0.422 nan 8.150 nan 0.000 0.446 504 L N -0.728 120.542 121.223 0.078 0.000 2.068 504 L HA -0.068 4.272 4.340 -0.000 0.000 0.204 504 L C 2.474 179.370 176.870 0.043 0.000 1.076 504 L CA 2.039 56.910 54.840 0.052 0.000 0.753 504 L CB -0.676 41.402 42.059 0.033 0.000 0.910 504 L HN 0.464 nan 8.230 nan 0.000 0.439 505 Q N -1.584 118.229 119.800 0.022 0.000 2.050 505 Q HA -0.241 4.099 4.340 -0.000 0.000 0.202 505 Q C 2.180 178.135 176.000 -0.076 0.000 0.980 505 Q CA 2.319 58.085 55.803 -0.061 0.000 0.840 505 Q CB -0.334 28.315 28.738 -0.149 0.000 0.898 505 Q HN 0.513 nan 8.270 nan 0.000 0.424 506 Y N -0.063 120.242 120.300 0.009 0.000 2.145 506 Y HA -0.207 4.342 4.550 -0.000 0.000 0.286 506 Y C 2.371 178.275 175.900 0.007 0.000 1.145 506 Y CA 1.179 59.283 58.100 0.008 0.000 1.148 506 Y CB -0.494 37.970 38.460 0.007 0.000 0.981 506 Y HN 0.151 nan 8.280 nan 0.000 0.507 507 A N -0.196 122.722 122.820 0.163 0.000 1.972 507 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 507 A C 2.378 179.997 177.584 0.059 0.000 1.169 507 A CA 1.791 53.885 52.037 0.094 0.000 0.635 507 A CB -1.121 17.921 19.000 0.070 0.000 0.810 507 A HN 0.412 nan 8.150 nan 0.000 0.446 508 A N -1.120 121.725 122.820 0.041 0.000 1.930 508 A HA 0.006 4.326 4.320 -0.000 0.000 0.215 508 A C 2.419 180.011 177.584 0.014 0.000 1.176 508 A CA 1.799 53.847 52.037 0.019 0.000 0.632 508 A CB -0.840 18.162 19.000 0.004 0.000 0.819 508 A HN 0.521 nan 8.150 nan 0.000 0.445 509 S N -0.733 114.971 115.700 0.008 0.000 2.359 509 S HA -0.149 4.321 4.470 -0.000 0.000 0.224 509 S C 1.967 176.583 174.600 0.028 0.000 1.035 509 S CA 1.792 59.992 58.200 0.001 0.000 1.018 509 S CB -0.488 62.696 63.200 -0.026 0.000 0.876 509 S HN 0.431 nan 8.310 nan 0.000 0.448 510 V N 1.561 121.507 119.914 0.052 0.000 2.379 510 V HA 0.025 4.144 4.120 -0.000 0.000 0.245 510 V C 2.622 178.737 176.094 0.035 0.000 1.044 510 V CA 1.915 64.244 62.300 0.049 0.000 1.036 510 V CB -1.021 30.838 31.823 0.060 0.000 0.664 510 V HN 0.580 nan 8.190 nan 0.000 0.453 511 A N 0.044 122.884 122.820 0.033 0.000 1.940 511 A HA -0.089 4.231 4.320 -0.000 0.000 0.219 511 A C 2.348 179.945 177.584 0.021 0.000 1.176 511 A CA 2.002 54.054 52.037 0.025 0.000 0.631 511 A CB -1.409 17.605 19.000 0.024 0.000 0.814 511 A HN 0.651 nan 8.150 nan 0.000 0.446 512 G N -0.222 108.589 108.800 0.018 0.000 2.418 512 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.217 512 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.217 512 G C 1.550 176.460 174.900 0.016 0.000 1.158 512 G CA 1.083 46.191 45.100 0.014 0.000 0.771 512 G HN 0.445 nan 8.290 nan 0.000 0.545 513 L N -0.393 120.842 121.223 0.019 0.000 2.093 513 L HA 0.064 4.404 4.340 -0.000 0.000 0.208 513 L C 3.028 179.912 176.870 0.023 0.000 1.085 513 L CA 0.778 55.631 54.840 0.021 0.000 0.755 513 L CB -0.228 41.845 42.059 0.023 0.000 0.904 513 L HN 0.211 nan 8.230 nan 0.000 0.435 514 M N -0.893 118.722 119.600 0.024 0.000 2.349 514 M HA -0.127 4.353 4.480 -0.000 0.000 0.266 514 M C 2.171 178.485 176.300 0.023 0.000 1.076 514 M CA 1.508 56.823 55.300 0.025 0.000 1.126 514 M CB -0.036 32.579 32.600 0.026 0.000 1.392 514 M HN 0.208 nan 8.290 nan 0.000 0.440 515 I N -0.149 120.433 120.570 0.021 0.000 2.439 515 I HA -0.194 3.976 4.170 -0.000 0.000 0.251 515 I C 1.840 177.969 176.117 0.020 0.000 1.139 515 I CA 1.258 62.569 61.300 0.019 0.000 1.438 515 I CB -0.198 37.811 38.000 0.016 0.000 1.085 515 I HN 0.328 nan 8.210 nan 0.000 0.427 516 T N -2.529 112.037 114.554 0.021 0.000 3.272 516 T HA 0.100 4.449 4.350 -0.000 0.000 0.250 516 T C 0.623 175.340 174.700 0.028 0.000 1.082 516 T CA -0.161 61.952 62.100 0.022 0.000 0.968 516 T CB -0.762 68.118 68.868 0.020 0.000 1.015 516 T HN 0.001 nan 8.240 nan 0.000 0.563 517 T N 2.364 116.936 114.554 0.029 0.000 2.780 517 T HA 0.297 4.647 4.350 -0.000 0.000 0.294 517 T C 0.611 175.335 174.700 0.041 0.000 0.949 517 T CA -0.552 61.569 62.100 0.034 0.000 1.074 517 T CB 1.601 70.489 68.868 0.032 0.000 0.910 517 T HN 0.121 nan 8.240 nan 0.000 0.501 518 E N 0.462 120.695 120.200 0.055 0.000 2.421 518 E HA 0.157 4.507 4.350 -0.000 0.000 0.209 518 E C 0.085 176.746 176.600 0.102 0.000 0.871 518 E CA 0.145 56.595 56.400 0.083 0.000 1.064 518 E CB 0.886 30.645 29.700 0.100 0.000 1.075 518 E HN 0.578 nan 8.360 nan 0.000 0.513 519 C N 1.033 120.367 119.300 0.057 0.000 2.609 519 C HA 0.699 5.159 4.460 -0.000 0.000 0.313 519 C C -1.030 173.930 174.990 -0.049 0.000 1.175 519 C CA -0.528 58.465 59.018 -0.041 0.000 1.434 519 C CB 0.208 27.957 27.740 0.014 0.000 2.005 519 C HN 0.151 nan 8.230 nan 0.000 0.471 520 M N 5.354 124.907 119.600 -0.079 0.000 2.326 520 M HA 0.562 5.042 4.480 -0.000 0.000 0.306 520 M C -1.096 175.259 176.300 0.091 0.000 1.054 520 M CA -0.503 54.840 55.300 0.073 0.000 0.922 520 M CB 2.095 34.854 32.600 0.264 0.000 1.632 520 M HN 0.386 nan 8.290 nan 0.000 0.436 521 V N 1.783 121.703 119.914 0.010 0.000 2.407 521 V HA 0.675 4.794 4.120 -0.000 0.000 0.291 521 V C -0.292 175.724 176.094 -0.131 0.000 1.018 521 V CA -0.398 61.878 62.300 -0.041 0.000 0.842 521 V CB 1.794 33.593 31.823 -0.040 0.000 0.996 521 V HN 0.936 nan 8.190 nan 0.000 0.426 522 T N 2.143 116.558 114.554 -0.233 0.000 2.838 522 T HA 0.448 4.798 4.350 -0.000 0.000 0.292 522 T C -1.166 173.403 174.700 -0.218 0.000 1.113 522 T CA -0.543 61.370 62.100 -0.310 0.000 1.008 522 T CB 1.901 70.403 68.868 -0.610 0.000 1.259 522 T HN 0.614 nan 8.240 nan 0.000 0.520 523 D N 1.416 121.708 120.400 -0.181 0.000 2.382 523 D HA 0.310 4.950 4.640 -0.000 0.000 0.240 523 D C -0.133 176.102 176.300 -0.108 0.000 1.146 523 D CA -0.053 53.879 54.000 -0.114 0.000 0.897 523 D CB 0.504 41.251 40.800 -0.087 0.000 1.197 523 D HN 0.338 nan 8.370 nan 0.000 0.432 524 L N 3.663 124.852 121.223 -0.056 0.000 2.367 524 L HA 0.285 4.624 4.340 -0.000 0.000 0.275 524 L C -1.609 175.246 176.870 -0.024 0.000 1.129 524 L CA -0.950 53.874 54.840 -0.027 0.000 0.839 524 L CB 0.178 42.234 42.059 -0.005 0.000 1.133 524 L HN 0.373 nan 8.230 nan 0.000 0.453 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.096 63.100 -0.006 0.000 0.800 525 P CB 0.000 31.707 31.700 0.011 0.000 0.726