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 2cgt_1_G 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 0.000 177.574 177.584 -0.017 0.000 1.274 2 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 2 A CB 0.000 18.985 19.000 -0.026 0.000 0.831 3 A N 2.096 124.909 122.820 -0.013 0.000 2.565 3 A HA 0.482 4.803 4.320 0.001 0.000 0.237 3 A C 0.260 177.833 177.584 -0.018 0.000 1.053 3 A CA 0.503 52.535 52.037 -0.009 0.000 0.755 3 A CB -0.124 18.874 19.000 -0.003 0.000 0.980 3 A HN 0.604 nan 8.150 nan 0.000 0.506 4 K N 1.823 122.214 120.400 -0.014 0.000 2.156 4 K HA 0.387 4.708 4.320 0.001 0.000 0.250 4 K C -0.919 175.677 176.600 -0.007 0.000 0.955 4 K CA -0.728 55.543 56.287 -0.026 0.000 0.855 4 K CB 1.431 33.917 32.500 -0.022 0.000 1.101 4 K HN 0.730 nan 8.250 nan 0.000 0.434 5 D N 1.504 121.891 120.400 -0.022 0.000 2.198 5 D HA 0.296 4.936 4.640 0.001 0.000 0.245 5 D C -1.126 175.251 176.300 0.129 0.000 1.079 5 D CA -0.492 53.544 54.000 0.060 0.000 0.854 5 D CB 1.267 42.094 40.800 0.045 0.000 1.148 5 D HN 0.248 nan 8.370 nan 0.000 0.456 6 V N 1.088 121.076 119.914 0.124 0.000 2.588 6 V HA 0.654 4.774 4.120 0.001 0.000 0.304 6 V C -0.905 175.109 176.094 -0.132 0.000 1.042 6 V CA -0.671 61.624 62.300 -0.007 0.000 0.877 6 V CB 1.783 33.528 31.823 -0.130 0.000 0.996 6 V HN 0.377 nan 8.190 nan 0.000 0.425 7 K N 4.357 124.565 120.400 -0.319 0.000 2.375 7 K HA 0.685 5.006 4.320 0.001 0.000 0.249 7 K C -1.776 174.492 176.600 -0.554 0.000 0.942 7 K CA -0.473 55.567 56.287 -0.411 0.000 0.806 7 K CB 2.513 34.595 32.500 -0.695 0.000 1.227 7 K HN 0.730 nan 8.250 nan 0.000 0.430 8 F N 0.071 119.964 119.950 -0.095 0.000 2.522 8 F HA 0.382 4.910 4.527 0.000 0.000 0.324 8 F C 1.188 176.947 175.800 -0.068 0.000 1.077 8 F CA 0.245 58.209 58.000 -0.059 0.000 0.944 8 F CB 1.945 40.925 39.000 -0.034 0.000 1.175 8 F HN 0.862 nan 8.300 nan 0.000 0.468 9 G N 2.484 111.379 108.800 0.159 0.000 2.591 9 G HA2 -0.493 3.467 3.960 0.001 0.000 0.298 9 G HA3 -0.493 3.467 3.960 0.001 0.000 0.298 9 G C 0.976 175.889 174.900 0.021 0.000 1.195 9 G CA 1.003 46.153 45.100 0.084 0.000 0.989 9 G HN 0.798 nan 8.290 nan 0.000 0.551 10 N N 0.864 119.572 118.700 0.013 0.000 2.084 10 N HA -0.065 4.675 4.740 0.001 0.000 0.190 10 N C 1.767 177.254 175.510 -0.038 0.000 1.030 10 N CA 2.458 55.502 53.050 -0.010 0.000 0.849 10 N CB -0.316 38.167 38.487 -0.006 0.000 1.012 10 N HN 0.526 nan 8.380 nan 0.000 0.423 11 D N 0.061 120.432 120.400 -0.049 0.000 2.104 11 D HA -0.125 4.515 4.640 0.001 0.000 0.194 11 D C 1.899 178.089 176.300 -0.183 0.000 0.994 11 D CA 1.574 55.512 54.000 -0.104 0.000 0.830 11 D CB -0.815 39.920 40.800 -0.109 0.000 0.959 11 D HN 0.432 nan 8.370 nan 0.000 0.452 12 A N 0.747 123.444 122.820 -0.206 0.000 1.917 12 A HA -0.255 4.065 4.320 0.001 0.000 0.219 12 A C 2.191 179.682 177.584 -0.154 0.000 1.182 12 A CA 1.748 53.620 52.037 -0.274 0.000 0.633 12 A CB -0.482 18.395 19.000 -0.205 0.000 0.819 12 A HN 0.126 nan 8.150 nan 0.000 0.448 13 R N -1.010 119.439 120.500 -0.085 0.000 2.062 13 R HA -0.030 4.311 4.340 0.001 0.000 0.229 13 R C 2.141 178.420 176.300 -0.036 0.000 1.128 13 R CA 1.290 57.365 56.100 -0.042 0.000 0.960 13 R CB -0.570 29.718 30.300 -0.021 0.000 0.855 13 R HN 0.388 nan 8.270 nan 0.000 0.432 14 V N 2.186 122.075 119.914 -0.043 0.000 2.252 14 V HA -0.331 3.790 4.120 0.001 0.000 0.249 14 V C 2.280 178.357 176.094 -0.028 0.000 1.056 14 V CA 1.804 64.085 62.300 -0.031 0.000 1.022 14 V CB -0.451 31.352 31.823 -0.033 0.000 0.641 14 V HN 0.292 nan 8.190 nan 0.000 0.445 15 K N -0.467 119.900 120.400 -0.054 0.000 2.032 15 K HA -0.196 4.124 4.320 0.001 0.000 0.209 15 K C 2.130 178.742 176.600 0.019 0.000 1.048 15 K CA 1.871 58.146 56.287 -0.020 0.000 0.927 15 K CB -0.696 31.770 32.500 -0.056 0.000 0.712 15 K HN 0.444 nan 8.250 nan 0.000 0.441 16 M N 0.733 120.338 119.600 0.008 0.000 2.202 16 M HA -0.189 4.291 4.480 0.001 0.000 0.262 16 M C 2.060 178.374 176.300 0.024 0.000 1.063 16 M CA 1.253 56.572 55.300 0.031 0.000 1.097 16 M CB -0.019 32.593 32.600 0.021 0.000 1.382 16 M HN 0.094 nan 8.290 nan 0.000 0.413 17 L N 0.213 121.443 121.223 0.012 0.000 2.049 17 L HA -0.086 4.255 4.340 0.001 0.000 0.203 17 L C 2.254 179.133 176.870 0.014 0.000 1.074 17 L CA 1.689 56.536 54.840 0.011 0.000 0.749 17 L CB -0.706 41.355 42.059 0.005 0.000 0.907 17 L HN 0.182 nan 8.230 nan 0.000 0.439 18 R N -0.227 120.282 120.500 0.014 0.000 2.140 18 R HA -0.206 4.135 4.340 0.001 0.000 0.250 18 R C 2.099 178.412 176.300 0.022 0.000 1.150 18 R CA 1.414 57.524 56.100 0.017 0.000 0.966 18 R CB -1.132 29.179 30.300 0.019 0.000 0.869 18 R HN 0.635 nan 8.270 nan 0.000 0.445 19 G N 0.545 109.362 108.800 0.029 0.000 2.484 19 G HA2 -0.240 3.721 3.960 0.001 0.000 0.215 19 G HA3 -0.240 3.721 3.960 0.001 0.000 0.215 19 G C 1.491 176.404 174.900 0.021 0.000 1.219 19 G CA 1.080 46.197 45.100 0.029 0.000 0.791 19 G HN 0.151 nan 8.290 nan 0.000 0.550 20 V N 1.725 121.651 119.914 0.021 0.000 2.233 20 V HA -0.375 3.745 4.120 0.001 0.000 0.252 20 V C 2.514 178.616 176.094 0.014 0.000 1.063 20 V CA 2.484 64.794 62.300 0.017 0.000 1.032 20 V CB -1.133 30.700 31.823 0.017 0.000 0.645 20 V HN 0.494 nan 8.190 nan 0.000 0.446 21 N N -0.128 118.581 118.700 0.013 0.000 2.037 21 N HA -0.197 4.544 4.740 0.001 0.000 0.196 21 N C 1.751 177.268 175.510 0.010 0.000 1.034 21 N CA 1.610 54.667 53.050 0.011 0.000 0.861 21 N CB -0.372 38.121 38.487 0.010 0.000 1.039 21 N HN 0.332 nan 8.380 nan 0.000 0.427 22 V N 1.623 121.543 119.914 0.011 0.000 2.252 22 V HA -0.218 3.902 4.120 0.001 0.000 0.249 22 V C 2.218 178.317 176.094 0.009 0.000 1.056 22 V CA 1.391 63.697 62.300 0.010 0.000 1.022 22 V CB -0.641 31.188 31.823 0.011 0.000 0.641 22 V HN 0.381 nan 8.190 nan 0.000 0.445 23 L N 0.900 122.128 121.223 0.010 0.000 1.976 23 L HA -0.081 4.259 4.340 0.001 0.000 0.209 23 L C 2.546 179.421 176.870 0.009 0.000 1.071 23 L CA 2.761 57.606 54.840 0.009 0.000 0.746 23 L CB -1.769 40.295 42.059 0.009 0.000 0.890 23 L HN 0.279 nan 8.230 nan 0.000 0.432 24 A N 0.143 122.969 122.820 0.010 0.000 1.869 24 A HA -0.297 4.024 4.320 0.001 0.000 0.218 24 A C 1.921 179.510 177.584 0.009 0.000 1.203 24 A CA 2.261 54.304 52.037 0.011 0.000 0.638 24 A CB -1.155 17.852 19.000 0.012 0.000 0.831 24 A HN 0.593 nan 8.150 nan 0.000 0.450 25 D N -0.047 120.358 120.400 0.008 0.000 2.158 25 D HA -0.090 4.550 4.640 0.001 0.000 0.197 25 D C 2.035 178.338 176.300 0.005 0.000 0.995 25 D CA 1.626 55.630 54.000 0.006 0.000 0.846 25 D CB -0.472 40.332 40.800 0.006 0.000 0.941 25 D HN 0.501 nan 8.370 nan 0.000 0.456 26 A N 0.138 122.961 122.820 0.005 0.000 2.014 26 A HA -0.023 4.297 4.320 0.001 0.000 0.218 26 A C 2.364 179.950 177.584 0.004 0.000 1.163 26 A CA 0.676 52.715 52.037 0.003 0.000 0.652 26 A CB -0.157 18.844 19.000 0.003 0.000 0.808 26 A HN 0.166 nan 8.150 nan 0.000 0.449 27 V N -0.376 119.542 119.914 0.006 0.000 2.599 27 V HA -0.111 4.009 4.120 0.001 0.000 0.245 27 V C 2.232 178.331 176.094 0.007 0.000 1.046 27 V CA 1.633 63.937 62.300 0.006 0.000 1.065 27 V CB -0.478 31.350 31.823 0.008 0.000 0.703 27 V HN 0.470 nan 8.190 nan 0.000 0.464 28 K N 0.638 121.042 120.400 0.008 0.000 2.160 28 K HA -0.179 4.141 4.320 0.001 0.000 0.206 28 K C 1.941 178.545 176.600 0.007 0.000 1.047 28 K CA 1.797 58.089 56.287 0.008 0.000 0.930 28 K CB -0.335 32.170 32.500 0.008 0.000 0.720 28 K HN 0.582 nan 8.250 nan 0.000 0.450 29 V N -1.257 118.660 119.914 0.005 0.000 3.305 29 V HA -0.093 4.028 4.120 0.001 0.000 0.269 29 V C 1.731 177.828 176.094 0.004 0.000 1.157 29 V CA 1.812 64.115 62.300 0.004 0.000 1.157 29 V CB -0.797 31.028 31.823 0.002 0.000 0.772 29 V HN 0.316 nan 8.190 nan 0.000 0.498 30 T N -2.543 112.014 114.554 0.004 0.000 3.069 30 T HA 0.320 4.670 4.350 0.001 0.000 0.252 30 T C 0.471 175.175 174.700 0.006 0.000 1.053 30 T CA -0.164 61.938 62.100 0.004 0.000 0.964 30 T CB -0.014 68.855 68.868 0.003 0.000 1.005 30 T HN 0.356 nan 8.240 nan 0.000 0.532 31 L N 2.840 124.067 121.223 0.008 0.000 2.410 31 L HA 0.552 4.893 4.340 0.001 0.000 0.273 31 L C 0.704 177.580 176.870 0.011 0.000 1.144 31 L CA 1.573 56.420 54.840 0.011 0.000 0.863 31 L CB -0.566 41.501 42.059 0.013 0.000 1.140 31 L HN 0.683 nan 8.230 nan 0.000 0.463 32 G N 4.404 113.210 108.800 0.010 0.000 2.712 32 G HA2 -0.151 3.809 3.960 0.001 0.000 0.683 32 G HA3 -0.151 3.809 3.960 0.001 0.000 0.683 32 G C -2.140 172.762 174.900 0.004 0.000 1.320 32 G CA -0.343 44.763 45.100 0.010 0.000 0.847 32 G HN 0.547 nan 8.290 nan 0.000 0.553 33 P HA -0.042 nan 4.420 nan 0.000 0.218 33 P C 0.993 178.289 177.300 -0.007 0.000 1.149 33 P CA 1.436 64.530 63.100 -0.010 0.000 0.817 33 P CB 0.052 31.738 31.700 -0.023 0.000 0.785 34 K N 0.438 120.837 120.400 -0.001 0.000 2.596 34 K HA 0.242 4.562 4.320 0.001 0.000 0.211 34 K C 1.058 177.660 176.600 0.004 0.000 1.046 34 K CA -0.262 56.026 56.287 0.001 0.000 1.202 34 K CB 0.023 32.527 32.500 0.006 0.000 0.925 34 K HN 0.077 nan 8.250 nan 0.000 0.486 35 G N 1.326 110.128 108.800 0.003 0.000 2.491 35 G HA2 0.096 4.056 3.960 0.001 0.000 0.242 35 G HA3 0.096 4.056 3.960 0.001 0.000 0.242 35 G C -0.086 174.814 174.900 0.001 0.000 1.266 35 G CA -0.379 44.723 45.100 0.003 0.000 0.844 35 G HN 0.229 nan 8.290 nan 0.000 0.571 36 R N 0.742 121.243 120.500 0.001 0.000 2.810 36 R HA 0.352 4.692 4.340 0.001 0.000 0.245 36 R C -0.373 175.926 176.300 -0.001 0.000 1.168 36 R CA -0.986 55.113 56.100 -0.001 0.000 1.096 36 R CB 0.877 31.177 30.300 -0.001 0.000 1.259 36 R HN 0.462 nan 8.270 nan 0.000 0.518 37 N N -0.247 118.451 118.700 -0.003 0.000 2.477 37 N HA 0.363 5.103 4.740 0.001 0.000 0.284 37 N C -0.946 174.561 175.510 -0.004 0.000 1.182 37 N CA -0.456 52.592 53.050 -0.003 0.000 0.949 37 N CB 1.739 40.224 38.487 -0.004 0.000 1.204 37 N HN 0.122 nan 8.380 nan 0.000 0.526 38 V N 0.930 120.841 119.914 -0.004 0.000 2.555 38 V HA 0.379 4.499 4.120 0.001 0.000 0.302 38 V C -0.056 176.033 176.094 -0.008 0.000 1.038 38 V CA -0.867 61.429 62.300 -0.006 0.000 0.887 38 V CB 1.970 33.790 31.823 -0.004 0.000 0.991 38 V HN 0.290 nan 8.190 nan 0.000 0.434 39 V N 5.885 125.792 119.914 -0.012 0.000 2.407 39 V HA 0.432 4.552 4.120 0.001 0.000 0.278 39 V C -0.188 175.893 176.094 -0.021 0.000 1.037 39 V CA -0.387 61.902 62.300 -0.017 0.000 0.900 39 V CB 1.221 33.032 31.823 -0.021 0.000 0.983 39 V HN 0.619 nan 8.190 nan 0.000 0.459 40 L N 3.922 125.131 121.223 -0.024 0.000 2.295 40 L HA 0.466 4.807 4.340 0.001 0.000 0.281 40 L C 0.075 176.910 176.870 -0.058 0.000 1.018 40 L CA -0.570 54.252 54.840 -0.028 0.000 0.841 40 L CB 1.283 43.337 42.059 -0.009 0.000 1.218 40 L HN 0.530 nan 8.230 nan 0.000 0.424 41 D N 3.537 123.888 120.400 -0.082 0.000 2.390 41 D HA 0.120 4.760 4.640 0.001 0.000 0.236 41 D C -0.378 175.768 176.300 -0.257 0.000 1.189 41 D CA 0.692 54.605 54.000 -0.146 0.000 0.887 41 D CB 0.733 41.452 40.800 -0.135 0.000 1.198 41 D HN 0.371 nan 8.370 nan 0.000 0.444 42 K N 0.878 121.013 120.400 -0.441 0.000 2.707 42 K HA 0.118 4.438 4.320 0.001 0.000 0.283 42 K C 0.842 176.815 176.600 -1.044 0.000 1.105 42 K CA -0.308 55.366 56.287 -1.022 0.000 1.018 42 K CB 1.048 33.209 32.500 -0.565 0.000 1.315 42 K HN 0.340 nan 8.250 nan 0.000 0.495 43 S N 2.717 117.727 115.700 -1.149 0.000 2.377 43 S HA -0.267 4.204 4.470 0.001 0.000 0.224 43 S C 1.563 176.012 174.600 -0.251 0.000 1.042 43 S CA 1.752 59.674 58.200 -0.463 0.000 1.086 43 S CB -0.782 62.325 63.200 -0.156 0.000 0.995 43 S HN 0.530 nan 8.310 nan 0.000 0.428 44 F N 2.603 122.549 119.950 -0.008 0.000 2.442 44 F HA -0.195 4.332 4.527 0.000 0.000 0.279 44 F C 1.890 177.685 175.800 -0.007 0.000 1.191 44 F CA 0.756 58.752 58.000 -0.008 0.000 1.443 44 F CB -1.991 37.004 39.000 -0.008 0.000 0.833 44 F HN 0.588 nan 8.300 nan 0.000 0.539 45 G N -1.482 107.388 108.800 0.116 0.000 3.212 45 G HA2 0.679 4.639 3.960 0.001 0.000 0.188 45 G HA3 0.679 4.639 3.960 0.001 0.000 0.188 45 G C -0.836 174.048 174.900 -0.025 0.000 1.254 45 G CA -0.340 44.790 45.100 0.049 0.000 0.957 45 G HN 0.646 nan 8.290 nan 0.000 0.596 46 A N 0.028 122.840 122.820 -0.014 0.000 2.366 46 A HA 0.673 4.993 4.320 0.001 0.000 0.249 46 A C -1.981 175.573 177.584 -0.050 0.000 1.084 46 A CA -0.699 51.318 52.037 -0.033 0.000 0.794 46 A CB -0.332 18.658 19.000 -0.016 0.000 1.034 46 A HN 0.401 nan 8.150 nan 0.000 0.491 47 P HA 0.185 nan 4.420 nan 0.000 0.271 47 P C -0.217 177.064 177.300 -0.031 0.000 1.238 47 P CA 0.214 63.276 63.100 -0.062 0.000 0.794 47 P CB 0.358 32.024 31.700 -0.057 0.000 0.959 48 T N 1.191 115.730 114.554 -0.025 0.000 2.807 48 T HA 0.549 4.900 4.350 0.001 0.000 0.279 48 T C -0.047 174.647 174.700 -0.010 0.000 0.993 48 T CA -0.273 61.822 62.100 -0.008 0.000 0.970 48 T CB 0.156 69.027 68.868 0.005 0.000 0.950 48 T HN 0.099 nan 8.240 nan 0.000 0.441 49 I N 2.551 123.117 120.570 -0.007 0.000 2.385 49 I HA 0.579 4.749 4.170 0.001 0.000 0.294 49 I C 0.534 176.649 176.117 -0.003 0.000 0.988 49 I CA -0.140 61.156 61.300 -0.007 0.000 1.265 49 I CB 1.903 39.899 38.000 -0.007 0.000 1.388 49 I HN 0.458 nan 8.210 nan 0.000 0.480 50 T N 3.998 118.550 114.554 -0.004 0.000 3.012 50 T HA 0.264 4.614 4.350 0.001 0.000 0.330 50 T C 0.114 174.812 174.700 -0.003 0.000 1.321 50 T CA -0.623 61.475 62.100 -0.003 0.000 1.067 50 T CB 1.456 70.323 68.868 -0.001 0.000 1.235 50 T HN 0.707 nan 8.240 nan 0.000 0.479 51 K N 1.521 121.919 120.400 -0.003 0.000 2.352 51 K HA 0.176 4.496 4.320 0.001 0.000 0.194 51 K C 0.068 176.666 176.600 -0.003 0.000 1.038 51 K CA -0.003 56.283 56.287 -0.003 0.000 1.023 51 K CB 0.287 32.785 32.500 -0.002 0.000 0.840 51 K HN 0.512 nan 8.250 nan 0.000 0.519 52 D N -0.091 120.305 120.400 -0.005 0.000 2.344 52 D HA 0.057 4.698 4.640 0.001 0.000 0.253 52 D C 1.119 177.414 176.300 -0.007 0.000 1.255 52 D CA 0.106 54.101 54.000 -0.009 0.000 0.894 52 D CB 1.171 41.962 40.800 -0.015 0.000 1.067 52 D HN 0.247 nan 8.370 nan 0.000 0.492 53 G N 2.806 111.604 108.800 -0.004 0.000 2.469 53 G HA2 -0.272 3.688 3.960 0.001 0.000 0.220 53 G HA3 -0.272 3.688 3.960 0.001 0.000 0.220 53 G C 1.497 176.396 174.900 -0.002 0.000 1.136 53 G CA 0.833 45.933 45.100 -0.000 0.000 0.759 53 G HN 0.505 nan 8.290 nan 0.000 0.562 54 V N 0.358 120.267 119.914 -0.007 0.000 2.427 54 V HA -0.107 4.013 4.120 0.001 0.000 0.248 54 V C 2.874 178.964 176.094 -0.008 0.000 1.051 54 V CA 2.722 65.016 62.300 -0.010 0.000 1.048 54 V CB -0.292 31.519 31.823 -0.020 0.000 0.666 54 V HN 0.334 nan 8.190 nan 0.000 0.456 55 S N -0.316 115.380 115.700 -0.007 0.000 2.368 55 S HA -0.151 4.319 4.470 0.001 0.000 0.225 55 S C 1.863 176.466 174.600 0.004 0.000 1.030 55 S CA 1.617 59.816 58.200 -0.001 0.000 0.999 55 S CB -0.151 63.048 63.200 -0.002 0.000 0.844 55 S HN 0.514 nan 8.310 nan 0.000 0.459 56 V N 2.040 121.956 119.914 0.002 0.000 2.295 56 V HA -0.220 3.900 4.120 0.001 0.000 0.246 56 V C 2.626 178.722 176.094 0.004 0.000 1.049 56 V CA 1.740 64.042 62.300 0.003 0.000 1.024 56 V CB -1.284 30.540 31.823 0.002 0.000 0.648 56 V HN 0.531 nan 8.190 nan 0.000 0.447 57 A N 0.485 123.306 122.820 0.002 0.000 1.851 57 A HA -0.263 4.057 4.320 0.001 0.000 0.216 57 A C 2.282 179.868 177.584 0.002 0.000 1.195 57 A CA 2.039 54.077 52.037 0.002 0.000 0.622 57 A CB -0.653 18.346 19.000 -0.000 0.000 0.831 57 A HN 0.522 nan 8.150 nan 0.000 0.444 58 R N -0.271 120.230 120.500 0.001 0.000 2.276 58 R HA -0.141 4.200 4.340 0.001 0.000 0.243 58 R C 1.199 177.506 176.300 0.013 0.000 1.161 58 R CA 1.277 57.379 56.100 0.003 0.000 1.007 58 R CB -0.266 30.035 30.300 0.002 0.000 0.867 58 R HN 0.585 nan 8.270 nan 0.000 0.472 59 E N 0.178 120.388 120.200 0.015 0.000 2.415 59 E HA 0.081 4.431 4.350 0.001 0.000 0.197 59 E C 0.530 177.139 176.600 0.015 0.000 1.007 59 E CA 0.073 56.486 56.400 0.022 0.000 0.890 59 E CB 0.397 30.110 29.700 0.022 0.000 0.891 59 E HN 0.147 nan 8.360 nan 0.000 0.496 60 I N 2.210 122.785 120.570 0.009 0.000 2.533 60 I HA 0.125 4.296 4.170 0.001 0.000 0.284 60 I C 0.379 176.499 176.117 0.006 0.000 1.109 60 I CA 0.352 61.656 61.300 0.007 0.000 1.412 60 I CB 0.230 38.234 38.000 0.006 0.000 1.396 60 I HN -0.024 nan 8.210 nan 0.000 0.543 61 E N 6.153 126.356 120.200 0.005 0.000 2.304 61 E HA 0.471 4.822 4.350 0.001 0.000 0.277 61 E C -1.803 174.798 176.600 0.001 0.000 0.898 61 E CA -0.659 55.743 56.400 0.002 0.000 0.764 61 E CB 1.924 31.626 29.700 0.003 0.000 1.216 61 E HN 0.247 nan 8.360 nan 0.000 0.419 62 L N 2.917 124.140 121.223 0.000 0.000 2.331 62 L HA 0.372 4.712 4.340 0.001 0.000 0.268 62 L C 1.358 178.226 176.870 -0.004 0.000 1.015 62 L CA -0.011 54.830 54.840 0.002 0.000 0.807 62 L CB 1.177 43.242 42.059 0.010 0.000 1.293 62 L HN 0.837 nan 8.230 nan 0.000 0.451 63 E N -0.342 119.858 120.200 -0.000 0.000 2.075 63 E HA -0.095 4.255 4.350 0.001 0.000 0.190 63 E C -0.029 176.565 176.600 -0.010 0.000 0.969 63 E CA 0.066 56.462 56.400 -0.006 0.000 0.815 63 E CB 0.314 30.013 29.700 -0.002 0.000 0.776 63 E HN 0.654 nan 8.360 nan 0.000 0.457 64 D N 1.216 121.621 120.400 0.008 0.000 2.434 64 D HA -0.071 4.569 4.640 0.001 0.000 0.252 64 D C 0.680 176.980 176.300 -0.000 0.000 1.185 64 D CA 0.231 54.245 54.000 0.025 0.000 0.886 64 D CB 0.963 41.804 40.800 0.067 0.000 1.148 64 D HN -0.029 nan 8.370 nan 0.000 0.483 65 K N 3.396 123.744 120.400 -0.087 0.000 2.211 65 K HA -0.101 4.219 4.320 0.001 0.000 0.203 65 K C 1.621 178.097 176.600 -0.206 0.000 1.050 65 K CA 0.716 56.885 56.287 -0.197 0.000 0.945 65 K CB -0.039 32.254 32.500 -0.345 0.000 0.732 65 K HN 0.474 nan 8.250 nan 0.000 0.451 66 F N 1.571 121.509 119.950 -0.020 0.000 2.147 66 F HA -0.021 4.506 4.527 -0.000 0.000 0.291 66 F C 2.317 178.106 175.800 -0.018 0.000 1.093 66 F CA 0.864 58.849 58.000 -0.024 0.000 1.263 66 F CB -0.482 38.502 39.000 -0.027 0.000 1.036 66 F HN 0.032 nan 8.300 nan 0.000 0.481 67 E N 0.128 120.442 120.200 0.190 0.000 2.070 67 E HA -0.315 4.036 4.350 0.001 0.000 0.197 67 E C 1.889 178.525 176.600 0.059 0.000 1.004 67 E CA 1.562 58.020 56.400 0.097 0.000 0.805 67 E CB -0.448 29.295 29.700 0.072 0.000 0.744 67 E HN 0.272 nan 8.360 nan 0.000 0.451 68 N N 0.649 119.369 118.700 0.034 0.000 2.060 68 N HA -0.203 4.538 4.740 0.001 0.000 0.195 68 N C 1.734 177.251 175.510 0.011 0.000 1.028 68 N CA 1.534 54.588 53.050 0.008 0.000 0.861 68 N CB -0.099 38.376 38.487 -0.020 0.000 1.029 68 N HN 0.107 nan 8.380 nan 0.000 0.428 69 M N -0.609 119.003 119.600 0.020 0.000 2.086 69 M HA -0.064 4.417 4.480 0.001 0.000 0.261 69 M C 2.116 178.435 176.300 0.032 0.000 1.067 69 M CA 1.704 57.017 55.300 0.023 0.000 1.116 69 M CB -0.705 31.922 32.600 0.044 0.000 1.348 69 M HN 0.337 nan 8.290 nan 0.000 0.407 70 G N 0.060 108.888 108.800 0.047 0.000 2.672 70 G HA2 -0.321 3.639 3.960 0.001 0.000 0.218 70 G HA3 -0.321 3.639 3.960 0.001 0.000 0.218 70 G C 1.523 176.436 174.900 0.023 0.000 1.238 70 G CA 1.450 46.572 45.100 0.036 0.000 0.791 70 G HN 0.581 nan 8.290 nan 0.000 0.606 71 A N -0.680 122.152 122.820 0.021 0.000 1.940 71 A HA -0.088 4.232 4.320 0.001 0.000 0.219 71 A C 2.363 179.952 177.584 0.008 0.000 1.176 71 A CA 2.086 54.131 52.037 0.014 0.000 0.631 71 A CB -0.357 18.651 19.000 0.012 0.000 0.814 71 A HN 0.375 nan 8.150 nan 0.000 0.446 72 Q N -1.154 118.650 119.800 0.006 0.000 2.364 72 Q HA -0.003 4.338 4.340 0.001 0.000 0.207 72 Q C 1.933 177.933 176.000 -0.001 0.000 0.970 72 Q CA 1.056 56.859 55.803 -0.001 0.000 0.888 72 Q CB -0.221 28.514 28.738 -0.005 0.000 0.951 72 Q HN 0.796 nan 8.270 nan 0.000 0.469 73 M N -0.675 118.928 119.600 0.005 0.000 2.257 73 M HA -0.098 4.382 4.480 0.001 0.000 0.260 73 M C 2.163 178.466 176.300 0.005 0.000 1.102 73 M CA 0.804 56.107 55.300 0.005 0.000 1.169 73 M CB -0.017 32.590 32.600 0.011 0.000 1.323 73 M HN 0.000 nan 8.290 nan 0.000 0.447 74 V N -0.189 119.732 119.914 0.010 0.000 2.469 74 V HA -0.286 3.834 4.120 0.001 0.000 0.251 74 V C 2.082 178.180 176.094 0.006 0.000 1.064 74 V CA 2.031 64.339 62.300 0.012 0.000 1.066 74 V CB -1.480 30.352 31.823 0.015 0.000 0.667 74 V HN 0.527 nan 8.190 nan 0.000 0.461 75 K N 0.640 121.041 120.400 0.001 0.000 2.362 75 K HA -0.285 4.035 4.320 0.001 0.000 0.202 75 K C 2.137 178.727 176.600 -0.017 0.000 1.045 75 K CA 1.999 58.283 56.287 -0.006 0.000 0.936 75 K CB -0.148 32.348 32.500 -0.006 0.000 0.747 75 K HN 0.708 nan 8.250 nan 0.000 0.467 76 E N 0.272 120.460 120.200 -0.021 0.000 2.230 76 E HA -0.108 4.243 4.350 0.001 0.000 0.192 76 E C 1.892 178.455 176.600 -0.063 0.000 0.987 76 E CA 0.661 57.035 56.400 -0.044 0.000 0.841 76 E CB 0.203 29.879 29.700 -0.040 0.000 0.783 76 E HN 0.295 nan 8.360 nan 0.000 0.481 77 V N 0.242 120.143 119.914 -0.022 0.000 2.270 77 V HA -0.153 3.967 4.120 0.001 0.000 0.245 77 V C 2.224 178.314 176.094 -0.007 0.000 1.043 77 V CA 2.081 64.385 62.300 0.006 0.000 1.014 77 V CB -0.578 31.282 31.823 0.062 0.000 0.645 77 V HN 0.267 nan 8.190 nan 0.000 0.447 78 A N -0.306 122.515 122.820 0.001 0.000 1.972 78 A HA -0.186 4.134 4.320 0.001 0.000 0.219 78 A C 2.584 180.153 177.584 -0.025 0.000 1.169 78 A CA 2.452 54.491 52.037 0.002 0.000 0.635 78 A CB -1.069 17.933 19.000 0.003 0.000 0.810 78 A HN 0.730 nan 8.150 nan 0.000 0.446 79 S N -1.072 114.598 115.700 -0.049 0.000 2.371 79 S HA -0.116 4.354 4.470 0.001 0.000 0.224 79 S C 2.207 176.740 174.600 -0.112 0.000 1.029 79 S CA 1.421 59.581 58.200 -0.066 0.000 0.978 79 S CB -0.251 62.912 63.200 -0.062 0.000 0.833 79 S HN 0.434 nan 8.310 nan 0.000 0.466 80 K N 1.367 121.644 120.400 -0.205 0.000 2.001 80 K HA 0.073 4.393 4.320 0.001 0.000 0.208 80 K C 2.351 178.740 176.600 -0.351 0.000 1.048 80 K CA 1.210 57.248 56.287 -0.416 0.000 0.932 80 K CB -1.105 30.918 32.500 -0.794 0.000 0.715 80 K HN 0.379 nan 8.250 nan 0.000 0.437 81 A N 2.343 125.080 122.820 -0.139 0.000 1.894 81 A HA -0.316 4.005 4.320 0.001 0.000 0.220 81 A C 2.080 179.715 177.584 0.085 0.000 1.237 81 A CA 2.442 54.576 52.037 0.162 0.000 0.660 81 A CB -1.177 17.918 19.000 0.158 0.000 0.835 81 A HN 0.582 nan 8.150 nan 0.000 0.461 82 N N -0.424 118.285 118.700 0.015 0.000 2.094 82 N HA -0.201 4.539 4.740 0.001 0.000 0.191 82 N C 0.957 176.477 175.510 0.018 0.000 1.023 82 N CA 1.831 54.880 53.050 -0.001 0.000 0.857 82 N CB -0.320 38.149 38.487 -0.031 0.000 1.013 82 N HN 0.562 nan 8.380 nan 0.000 0.426 83 D N -0.012 120.391 120.400 0.005 0.000 2.277 83 D HA -0.026 4.614 4.640 0.001 0.000 0.208 83 D C 1.543 177.891 176.300 0.080 0.000 0.962 83 D CA 0.617 54.635 54.000 0.029 0.000 0.865 83 D CB 0.108 40.900 40.800 -0.014 0.000 0.939 83 D HN 0.398 nan 8.370 nan 0.000 0.510 84 A N 1.258 124.141 122.820 0.105 0.000 1.941 84 A HA 0.374 4.695 4.320 0.001 0.000 0.214 84 A C 2.224 179.901 177.584 0.154 0.000 1.368 84 A CA 1.078 53.208 52.037 0.155 0.000 0.651 84 A CB -0.663 18.504 19.000 0.278 0.000 1.064 84 A HN 0.170 nan 8.150 nan 0.000 0.492 85 A N -1.760 121.158 122.820 0.163 0.000 1.825 85 A HA 0.353 4.674 4.320 0.001 0.000 0.214 85 A C 2.103 179.789 177.584 0.170 0.000 1.206 85 A CA 2.387 54.507 52.037 0.138 0.000 0.609 85 A CB -1.096 17.975 19.000 0.119 0.000 0.851 85 A HN 1.998 nan 8.150 nan 0.000 0.445 86 G N -2.250 106.625 108.800 0.124 0.000 2.211 86 G HA2 -0.048 3.912 3.960 0.001 0.000 0.201 86 G HA3 -0.048 3.912 3.960 0.001 0.000 0.201 86 G C -0.171 174.720 174.900 -0.015 0.000 0.997 86 G CA 0.621 45.741 45.100 0.034 0.000 0.652 86 G HN 0.844 nan 8.290 nan 0.000 0.500 87 D N -2.152 118.268 120.400 0.034 0.000 2.692 87 D HA 0.551 5.192 4.640 0.001 0.000 0.303 87 D C 1.141 177.464 176.300 0.038 0.000 1.278 87 D CA 1.036 55.050 54.000 0.024 0.000 0.852 87 D CB 0.664 41.485 40.800 0.034 0.000 1.375 87 D HN 1.337 nan 8.370 nan 0.000 0.453 88 G N -0.356 108.463 108.800 0.031 0.000 2.184 88 G HA2 -0.335 3.625 3.960 0.001 0.000 0.264 88 G HA3 -0.335 3.625 3.960 0.001 0.000 0.264 88 G C 1.023 175.948 174.900 0.043 0.000 0.975 88 G CA 1.920 47.042 45.100 0.038 0.000 0.642 88 G HN 0.824 nan 8.290 nan 0.000 0.536 89 T N -2.433 112.141 114.554 0.034 0.000 2.788 89 T HA -0.108 4.243 4.350 0.001 0.000 0.268 89 T C 2.202 176.918 174.700 0.027 0.000 1.044 89 T CA 2.507 64.626 62.100 0.031 0.000 1.139 89 T CB -0.650 68.226 68.868 0.012 0.000 0.867 89 T HN 0.343 nan 8.240 nan 0.000 0.454 90 T N 1.751 116.318 114.554 0.020 0.000 2.777 90 T HA -0.076 4.274 4.350 0.001 0.000 0.266 90 T C 2.251 176.965 174.700 0.024 0.000 1.040 90 T CA 1.748 63.859 62.100 0.018 0.000 1.141 90 T CB -0.904 67.973 68.868 0.014 0.000 0.868 90 T HN 0.493 nan 8.240 nan 0.000 0.444 91 T N 2.088 116.658 114.554 0.027 0.000 2.622 91 T HA -0.086 4.264 4.350 0.001 0.000 0.266 91 T C 2.391 177.111 174.700 0.034 0.000 1.047 91 T CA 1.352 63.469 62.100 0.028 0.000 1.159 91 T CB -0.755 68.130 68.868 0.028 0.000 0.863 91 T HN 0.423 nan 8.240 nan 0.000 0.422 92 A N 1.230 124.078 122.820 0.046 0.000 1.896 92 A HA -0.268 4.052 4.320 0.001 0.000 0.220 92 A C 2.541 180.155 177.584 0.049 0.000 1.206 92 A CA 2.753 54.827 52.037 0.063 0.000 0.647 92 A CB -1.550 17.508 19.000 0.097 0.000 0.828 92 A HN 0.515 nan 8.150 nan 0.000 0.455 93 T N -0.560 114.017 114.554 0.039 0.000 2.788 93 T HA -0.095 4.256 4.350 0.001 0.000 0.268 93 T C 1.836 176.552 174.700 0.026 0.000 1.044 93 T CA 1.605 63.723 62.100 0.030 0.000 1.139 93 T CB -0.399 68.482 68.868 0.022 0.000 0.867 93 T HN 0.225 nan 8.240 nan 0.000 0.454 94 V N 1.130 121.058 119.914 0.024 0.000 2.548 94 V HA -0.028 4.092 4.120 0.001 0.000 0.249 94 V C 2.368 178.474 176.094 0.021 0.000 1.055 94 V CA 1.143 63.455 62.300 0.020 0.000 1.065 94 V CB -0.666 31.168 31.823 0.018 0.000 0.681 94 V HN 0.411 nan 8.190 nan 0.000 0.462 95 L N 0.274 121.511 121.223 0.024 0.000 2.044 95 L HA -0.072 4.268 4.340 0.001 0.000 0.205 95 L C 2.795 179.680 176.870 0.025 0.000 1.075 95 L CA 1.499 56.353 54.840 0.023 0.000 0.747 95 L CB -0.765 41.309 42.059 0.025 0.000 0.903 95 L HN 0.329 nan 8.230 nan 0.000 0.435 96 A N 0.374 123.213 122.820 0.031 0.000 1.908 96 A HA -0.306 4.014 4.320 0.001 0.000 0.218 96 A C 2.193 179.792 177.584 0.024 0.000 1.181 96 A CA 2.083 54.139 52.037 0.031 0.000 0.627 96 A CB -0.677 18.345 19.000 0.037 0.000 0.818 96 A HN 0.589 nan 8.150 nan 0.000 0.445 97 Q N -0.458 119.355 119.800 0.021 0.000 2.291 97 Q HA 0.143 4.484 4.340 0.001 0.000 0.205 97 Q C 1.684 177.693 176.000 0.015 0.000 0.970 97 Q CA 1.793 57.606 55.803 0.017 0.000 0.876 97 Q CB -0.366 28.381 28.738 0.015 0.000 0.935 97 Q HN 0.493 nan 8.270 nan 0.000 0.455 98 A N 0.672 123.502 122.820 0.016 0.000 1.887 98 A HA 0.097 4.418 4.320 0.001 0.000 0.212 98 A C 2.049 179.640 177.584 0.013 0.000 1.198 98 A CA 0.762 52.807 52.037 0.013 0.000 0.628 98 A CB -0.411 18.596 19.000 0.013 0.000 0.847 98 A HN 0.405 nan 8.150 nan 0.000 0.449 99 I N 0.071 120.650 120.570 0.015 0.000 2.163 99 I HA -0.297 3.873 4.170 0.001 0.000 0.243 99 I C 2.313 178.439 176.117 0.014 0.000 1.085 99 I CA 1.498 62.807 61.300 0.015 0.000 1.347 99 I CB -0.440 37.570 38.000 0.017 0.000 1.044 99 I HN 0.294 nan 8.210 nan 0.000 0.408 100 I N 0.424 121.003 120.570 0.015 0.000 2.127 100 I HA -0.315 3.856 4.170 0.001 0.000 0.241 100 I C 2.598 178.722 176.117 0.011 0.000 1.075 100 I CA 1.859 63.167 61.300 0.014 0.000 1.334 100 I CB -0.671 37.338 38.000 0.015 0.000 1.040 100 I HN 0.253 nan 8.210 nan 0.000 0.405 101 T N -0.128 114.433 114.554 0.010 0.000 2.720 101 T HA -0.170 4.181 4.350 0.001 0.000 0.268 101 T C 1.848 176.552 174.700 0.007 0.000 1.037 101 T CA 1.268 63.373 62.100 0.008 0.000 1.144 101 T CB -0.154 68.718 68.868 0.008 0.000 0.864 101 T HN 0.259 nan 8.240 nan 0.000 0.444 102 E N 0.580 120.784 120.200 0.008 0.000 2.051 102 E HA 0.072 4.422 4.350 0.001 0.000 0.189 102 E C 2.514 179.118 176.600 0.007 0.000 0.979 102 E CA 0.900 57.304 56.400 0.007 0.000 0.803 102 E CB -1.010 28.695 29.700 0.007 0.000 0.761 102 E HN 0.487 nan 8.360 nan 0.000 0.451 103 G N 2.105 110.910 108.800 0.009 0.000 2.721 103 G HA2 -0.298 3.662 3.960 0.001 0.000 0.218 103 G HA3 -0.298 3.662 3.960 0.001 0.000 0.218 103 G C 1.662 176.567 174.900 0.008 0.000 1.265 103 G CA 1.441 46.546 45.100 0.009 0.000 0.796 103 G HN 0.269 nan 8.290 nan 0.000 0.620 104 L N 0.256 121.484 121.223 0.007 0.000 2.189 104 L HA -0.095 4.246 4.340 0.001 0.000 0.214 104 L C 2.819 179.692 176.870 0.004 0.000 1.097 104 L CA 1.457 56.300 54.840 0.006 0.000 0.764 104 L CB -0.373 41.688 42.059 0.004 0.000 0.900 104 L HN 0.254 nan 8.230 nan 0.000 0.436 105 K N 0.333 120.736 120.400 0.004 0.000 2.097 105 K HA -0.147 4.174 4.320 0.001 0.000 0.205 105 K C 2.178 178.780 176.600 0.004 0.000 1.050 105 K CA 1.189 57.478 56.287 0.003 0.000 0.938 105 K CB -0.003 32.499 32.500 0.003 0.000 0.718 105 K HN 0.309 nan 8.250 nan 0.000 0.442 106 A N 0.449 123.272 122.820 0.005 0.000 1.897 106 A HA -0.066 4.254 4.320 0.001 0.000 0.215 106 A C 2.152 179.739 177.584 0.005 0.000 1.181 106 A CA 1.059 53.098 52.037 0.005 0.000 0.620 106 A CB -0.442 18.561 19.000 0.005 0.000 0.821 106 A HN 0.128 nan 8.150 nan 0.000 0.443 107 V N 0.020 119.938 119.914 0.006 0.000 2.392 107 V HA -0.259 3.861 4.120 0.001 0.000 0.249 107 V C 2.888 178.985 176.094 0.005 0.000 1.059 107 V CA 1.874 64.178 62.300 0.007 0.000 1.051 107 V CB -1.026 30.802 31.823 0.008 0.000 0.658 107 V HN 0.593 nan 8.190 nan 0.000 0.455 108 A N -0.501 122.321 122.820 0.004 0.000 2.168 108 A HA 0.219 4.539 4.320 0.001 0.000 0.215 108 A C 2.146 179.731 177.584 0.002 0.000 1.152 108 A CA 1.218 53.257 52.037 0.003 0.000 0.716 108 A CB -0.359 18.642 19.000 0.001 0.000 0.794 108 A HN 0.550 nan 8.150 nan 0.000 0.465 109 A N -1.854 120.967 122.820 0.003 0.000 2.251 109 A HA 0.430 4.751 4.320 0.001 0.000 0.209 109 A C 1.739 179.324 177.584 0.002 0.000 1.187 109 A CA 1.134 53.172 52.037 0.002 0.000 0.823 109 A CB -0.620 18.381 19.000 0.002 0.000 0.846 109 A HN 1.702 nan 8.150 nan 0.000 0.486 110 G N -1.901 106.901 108.800 0.003 0.000 2.175 110 G HA2 -0.252 3.708 3.960 0.001 0.000 0.244 110 G HA3 -0.252 3.708 3.960 0.001 0.000 0.244 110 G C 0.232 175.134 174.900 0.004 0.000 0.982 110 G CA 0.316 45.418 45.100 0.003 0.000 0.641 110 G HN 0.360 nan 8.290 nan 0.000 0.527 111 M N 0.888 120.491 119.600 0.004 0.000 2.252 111 M HA 0.282 4.762 4.480 0.001 0.000 0.321 111 M C 0.785 177.089 176.300 0.007 0.000 1.070 111 M CA 0.028 55.331 55.300 0.005 0.000 1.143 111 M CB 0.279 32.883 32.600 0.005 0.000 1.498 111 M HN 0.290 nan 8.290 nan 0.000 0.445 112 N N 2.914 121.619 118.700 0.007 0.000 2.406 112 N HA 0.238 4.978 4.740 0.001 0.000 0.251 112 N C -2.301 173.215 175.510 0.010 0.000 1.069 112 N CA -1.923 51.133 53.050 0.009 0.000 0.947 112 N CB 0.872 39.363 38.487 0.008 0.000 1.111 112 N HN 0.201 nan 8.380 nan 0.000 0.497 113 P HA -0.161 nan 4.420 nan 0.000 0.216 113 P C 1.300 178.607 177.300 0.013 0.000 1.153 113 P CA 1.090 64.197 63.100 0.013 0.000 0.858 113 P CB 0.121 31.830 31.700 0.015 0.000 0.789 114 M N -0.821 118.787 119.600 0.013 0.000 2.446 114 M HA -0.114 4.367 4.480 0.001 0.000 0.263 114 M C 1.050 177.357 176.300 0.011 0.000 1.066 114 M CA 1.605 56.913 55.300 0.013 0.000 1.087 114 M CB -1.071 31.537 32.600 0.013 0.000 1.406 114 M HN -0.204 nan 8.290 nan 0.000 0.459 115 D N -0.775 119.631 120.400 0.010 0.000 2.162 115 D HA 0.009 4.649 4.640 0.001 0.000 0.205 115 D C 2.032 178.337 176.300 0.009 0.000 0.964 115 D CA 0.951 54.956 54.000 0.009 0.000 0.847 115 D CB -0.159 40.646 40.800 0.008 0.000 0.988 115 D HN 0.326 nan 8.370 nan 0.000 0.480 116 L N 0.994 122.222 121.223 0.009 0.000 2.043 116 L HA -0.210 4.130 4.340 0.001 0.000 0.212 116 L C 2.512 179.388 176.870 0.010 0.000 1.075 116 L CA 1.263 56.109 54.840 0.009 0.000 0.752 116 L CB -0.376 41.689 42.059 0.009 0.000 0.891 116 L HN 0.026 nan 8.230 nan 0.000 0.432 117 K N 0.342 120.749 120.400 0.012 0.000 2.009 117 K HA -0.214 4.107 4.320 0.001 0.000 0.210 117 K C 2.299 178.906 176.600 0.012 0.000 1.049 117 K CA 1.478 57.773 56.287 0.013 0.000 0.929 117 K CB -0.053 32.456 32.500 0.015 0.000 0.714 117 K HN 0.195 nan 8.250 nan 0.000 0.440 118 R N -0.280 120.227 120.500 0.010 0.000 2.105 118 R HA -0.127 4.213 4.340 0.001 0.000 0.239 118 R C 2.407 178.711 176.300 0.008 0.000 1.135 118 R CA 1.379 57.485 56.100 0.009 0.000 0.967 118 R CB -0.548 29.757 30.300 0.008 0.000 0.861 118 R HN 0.435 nan 8.270 nan 0.000 0.442 119 G N 1.518 110.322 108.800 0.007 0.000 2.464 119 G HA2 -0.234 3.727 3.960 0.001 0.000 0.214 119 G HA3 -0.234 3.727 3.960 0.001 0.000 0.214 119 G C 1.467 176.371 174.900 0.006 0.000 1.218 119 G CA 0.580 45.684 45.100 0.006 0.000 0.794 119 G HN 0.131 nan 8.290 nan 0.000 0.542 120 I N 1.347 121.922 120.570 0.008 0.000 2.121 120 I HA -0.290 3.880 4.170 0.001 0.000 0.243 120 I C 2.440 178.561 176.117 0.007 0.000 1.047 120 I CA 1.894 63.199 61.300 0.008 0.000 1.308 120 I CB -0.165 37.841 38.000 0.011 0.000 1.015 120 I HN 0.119 nan 8.210 nan 0.000 0.410 121 D N 0.245 120.649 120.400 0.008 0.000 2.117 121 D HA -0.204 4.436 4.640 0.001 0.000 0.197 121 D C 2.098 178.400 176.300 0.003 0.000 0.987 121 D CA 1.183 55.186 54.000 0.006 0.000 0.829 121 D CB -0.285 40.520 40.800 0.009 0.000 0.961 121 D HN 0.337 nan 8.370 nan 0.000 0.460 122 K N 0.699 121.101 120.400 0.004 0.000 2.026 122 K HA -0.107 4.213 4.320 0.001 0.000 0.208 122 K C 2.068 178.668 176.600 0.001 0.000 1.048 122 K CA 1.223 57.511 56.287 0.002 0.000 0.929 122 K CB -0.047 32.454 32.500 0.003 0.000 0.713 122 K HN 0.009 nan 8.250 nan 0.000 0.439 123 A N 0.639 123.460 122.820 0.001 0.000 1.908 123 A HA -0.148 4.172 4.320 0.001 0.000 0.218 123 A C 2.241 179.824 177.584 -0.002 0.000 1.181 123 A CA 1.807 53.845 52.037 0.001 0.000 0.627 123 A CB -0.712 18.289 19.000 0.002 0.000 0.818 123 A HN 0.192 nan 8.150 nan 0.000 0.445 124 V N -0.202 119.710 119.914 -0.004 0.000 2.358 124 V HA -0.210 3.910 4.120 0.001 0.000 0.246 124 V C 2.703 178.788 176.094 -0.013 0.000 1.047 124 V CA 2.398 64.692 62.300 -0.010 0.000 1.035 124 V CB -1.170 30.646 31.823 -0.012 0.000 0.658 124 V HN 0.639 nan 8.190 nan 0.000 0.452 125 T N 0.240 114.788 114.554 -0.010 0.000 2.881 125 T HA -0.124 4.226 4.350 0.001 0.000 0.270 125 T C 1.909 176.603 174.700 -0.009 0.000 1.068 125 T CA 1.452 63.545 62.100 -0.011 0.000 1.131 125 T CB -0.270 68.595 68.868 -0.006 0.000 0.871 125 T HN 0.572 nan 8.240 nan 0.000 0.479 126 A N 1.225 124.041 122.820 -0.007 0.000 1.878 126 A HA 0.491 4.811 4.320 0.001 0.000 0.213 126 A C 2.657 180.238 177.584 -0.006 0.000 1.192 126 A CA 1.136 53.170 52.037 -0.005 0.000 0.619 126 A CB -1.035 17.964 19.000 -0.002 0.000 0.837 126 A HN 0.454 nan 8.150 nan 0.000 0.446 127 A N -0.227 122.589 122.820 -0.007 0.000 1.940 127 A HA -0.054 4.266 4.320 0.001 0.000 0.219 127 A C 2.197 179.774 177.584 -0.012 0.000 1.176 127 A CA 1.929 53.961 52.037 -0.007 0.000 0.631 127 A CB -0.961 18.034 19.000 -0.007 0.000 0.814 127 A HN 0.383 nan 8.150 nan 0.000 0.446 128 V N -0.075 119.828 119.914 -0.018 0.000 2.343 128 V HA -0.215 3.905 4.120 0.001 0.000 0.247 128 V C 2.641 178.726 176.094 -0.016 0.000 1.051 128 V CA 2.203 64.490 62.300 -0.023 0.000 1.036 128 V CB -0.723 31.080 31.823 -0.033 0.000 0.654 128 V HN 0.479 nan 8.190 nan 0.000 0.451 129 E N -0.046 120.147 120.200 -0.011 0.000 2.058 129 E HA -0.194 4.156 4.350 0.001 0.000 0.194 129 E C 2.338 178.935 176.600 -0.004 0.000 0.997 129 E CA 1.148 57.544 56.400 -0.007 0.000 0.801 129 E CB -0.325 29.372 29.700 -0.005 0.000 0.746 129 E HN 0.510 nan 8.360 nan 0.000 0.450 130 E N 0.286 120.484 120.200 -0.003 0.000 2.051 130 E HA -0.118 4.233 4.350 0.001 0.000 0.192 130 E C 2.405 179.006 176.600 0.001 0.000 0.991 130 E CA 0.479 56.879 56.400 -0.000 0.000 0.799 130 E CB -0.331 29.370 29.700 0.001 0.000 0.748 130 E HN 0.281 nan 8.360 nan 0.000 0.449 131 L N 0.538 121.760 121.223 -0.002 0.000 2.079 131 L HA -0.225 4.116 4.340 0.001 0.000 0.210 131 L C 2.393 179.262 176.870 -0.002 0.000 1.081 131 L CA 1.256 56.095 54.840 -0.002 0.000 0.752 131 L CB -0.342 41.713 42.059 -0.007 0.000 0.896 131 L HN 0.013 nan 8.230 nan 0.000 0.433 132 K N -0.096 120.302 120.400 -0.004 0.000 2.211 132 K HA -0.144 4.176 4.320 0.001 0.000 0.204 132 K C 2.055 178.655 176.600 0.000 0.000 1.047 132 K CA 1.309 57.595 56.287 -0.003 0.000 0.935 132 K CB -0.288 32.209 32.500 -0.004 0.000 0.728 132 K HN 0.352 nan 8.250 nan 0.000 0.452 133 A N 0.050 122.871 122.820 0.001 0.000 1.843 133 A HA -0.065 4.255 4.320 0.001 0.000 0.213 133 A C 1.978 179.565 177.584 0.005 0.000 1.202 133 A CA 0.921 52.960 52.037 0.003 0.000 0.607 133 A CB -0.632 18.370 19.000 0.003 0.000 0.847 133 A HN 0.155 nan 8.150 nan 0.000 0.445 134 L N 0.691 121.918 121.223 0.007 0.000 2.081 134 L HA -0.098 4.242 4.340 0.001 0.000 0.212 134 L C 1.811 178.687 176.870 0.010 0.000 1.080 134 L CA 1.593 56.439 54.840 0.010 0.000 0.754 134 L CB -0.622 41.445 42.059 0.012 0.000 0.893 134 L HN 0.401 nan 8.230 nan 0.000 0.433 135 S N -0.314 115.390 115.700 0.007 0.000 2.563 135 S HA 0.118 4.589 4.470 0.001 0.000 0.294 135 S C 0.073 174.678 174.600 0.007 0.000 1.279 135 S CA -0.300 57.904 58.200 0.007 0.000 1.069 135 S CB 0.339 63.542 63.200 0.005 0.000 0.828 135 S HN 0.184 nan 8.310 nan 0.000 0.497 136 V N 3.901 123.820 119.914 0.008 0.000 2.204 136 V HA 0.515 4.636 4.120 0.001 0.000 0.264 136 V C -2.464 173.634 176.094 0.007 0.000 1.106 136 V CA -2.402 59.903 62.300 0.008 0.000 0.947 136 V CB -0.520 31.308 31.823 0.009 0.000 1.164 136 V HN 0.775 nan 8.190 nan 0.000 0.461 137 P HA -0.262 nan 4.420 nan 0.000 0.290 137 P C -0.164 177.140 177.300 0.006 0.000 1.703 137 P CA 0.786 63.888 63.100 0.005 0.000 1.382 137 P CB 0.128 31.830 31.700 0.004 0.000 0.549 138 C N 1.608 120.912 119.300 0.006 0.000 2.571 138 C HA 0.626 5.086 4.460 0.001 0.000 0.343 138 C C 1.011 176.004 174.990 0.005 0.000 1.082 138 C CA 0.830 59.852 59.018 0.006 0.000 1.339 138 C CB -0.361 27.384 27.740 0.008 0.000 1.893 138 C HN 0.689 nan 8.230 nan 0.000 0.445 139 S N 2.264 117.967 115.700 0.004 0.000 2.769 139 S HA 0.202 4.673 4.470 0.001 0.000 0.258 139 S C -0.035 174.566 174.600 0.003 0.000 1.080 139 S CA 0.207 58.409 58.200 0.003 0.000 0.943 139 S CB -0.330 62.871 63.200 0.002 0.000 0.893 139 S HN 0.864 nan 8.310 nan 0.000 0.490 140 D N 2.327 122.729 120.400 0.003 0.000 2.382 140 D HA 0.291 4.931 4.640 0.001 0.000 0.245 140 D C 0.642 176.944 176.300 0.003 0.000 1.120 140 D CA -0.041 53.961 54.000 0.003 0.000 0.890 140 D CB 1.287 42.089 40.800 0.004 0.000 1.201 140 D HN 0.084 nan 8.370 nan 0.000 0.433 141 S N 1.450 117.151 115.700 0.003 0.000 2.407 141 S HA -0.258 4.213 4.470 0.001 0.000 0.235 141 S C 1.589 176.191 174.600 0.003 0.000 1.036 141 S CA 1.637 59.839 58.200 0.003 0.000 1.013 141 S CB -0.240 62.961 63.200 0.002 0.000 0.820 141 S HN 0.688 nan 8.310 nan 0.000 0.476 142 K N 1.093 121.495 120.400 0.003 0.000 2.057 142 K HA -0.028 4.293 4.320 0.001 0.000 0.206 142 K C 2.234 178.837 176.600 0.004 0.000 1.050 142 K CA 1.164 57.453 56.287 0.003 0.000 0.935 142 K CB -0.349 32.153 32.500 0.003 0.000 0.715 142 K HN 0.294 nan 8.250 nan 0.000 0.439 143 A N 1.265 124.088 122.820 0.005 0.000 1.902 143 A HA -0.115 4.206 4.320 0.001 0.000 0.217 143 A C 2.101 179.689 177.584 0.007 0.000 1.181 143 A CA 1.372 53.413 52.037 0.006 0.000 0.623 143 A CB -0.551 18.453 19.000 0.007 0.000 0.818 143 A HN 0.355 nan 8.150 nan 0.000 0.443 144 I N -0.229 120.345 120.570 0.007 0.000 2.179 144 I HA -0.306 3.864 4.170 0.001 0.000 0.242 144 I C 2.989 179.110 176.117 0.008 0.000 1.088 144 I CA 1.125 62.429 61.300 0.008 0.000 1.357 144 I CB -0.293 37.711 38.000 0.006 0.000 1.051 144 I HN 0.363 nan 8.210 nan 0.000 0.409 145 A N -0.129 122.695 122.820 0.006 0.000 1.948 145 A HA -0.305 4.016 4.320 0.001 0.000 0.220 145 A C 2.215 179.802 177.584 0.005 0.000 1.177 145 A CA 1.842 53.882 52.037 0.006 0.000 0.636 145 A CB -0.648 18.354 19.000 0.004 0.000 0.815 145 A HN 0.499 nan 8.150 nan 0.000 0.449 146 Q N -0.667 119.136 119.800 0.005 0.000 2.050 146 Q HA -0.126 4.214 4.340 0.001 0.000 0.202 146 Q C 2.321 178.325 176.000 0.006 0.000 0.980 146 Q CA 2.070 57.875 55.803 0.004 0.000 0.840 146 Q CB -0.509 28.231 28.738 0.003 0.000 0.898 146 Q HN 0.770 nan 8.270 nan 0.000 0.424 147 V N -1.412 118.508 119.914 0.010 0.000 2.343 147 V HA -0.130 3.991 4.120 0.001 0.000 0.247 147 V C 1.973 178.076 176.094 0.016 0.000 1.051 147 V CA 2.264 64.572 62.300 0.014 0.000 1.036 147 V CB -1.521 30.312 31.823 0.017 0.000 0.654 147 V HN 0.382 nan 8.190 nan 0.000 0.451 148 G N -0.039 108.771 108.800 0.017 0.000 2.529 148 G HA2 -0.302 3.659 3.960 0.001 0.000 0.219 148 G HA3 -0.302 3.659 3.960 0.001 0.000 0.219 148 G C 1.609 176.517 174.900 0.013 0.000 1.177 148 G CA 1.888 46.999 45.100 0.018 0.000 0.773 148 G HN 0.525 nan 8.290 nan 0.000 0.573 149 T N 1.020 115.579 114.554 0.008 0.000 2.684 149 T HA -0.102 4.248 4.350 0.001 0.000 0.267 149 T C 2.378 177.079 174.700 0.002 0.000 1.036 149 T CA 1.236 63.338 62.100 0.003 0.000 1.148 149 T CB -0.152 68.715 68.868 -0.001 0.000 0.863 149 T HN 0.153 nan 8.240 nan 0.000 0.436 150 I N 0.656 121.228 120.570 0.003 0.000 2.439 150 I HA -0.068 4.102 4.170 0.001 0.000 0.251 150 I C 2.621 178.741 176.117 0.006 0.000 1.139 150 I CA 0.761 62.062 61.300 0.001 0.000 1.438 150 I CB -0.398 37.603 38.000 0.002 0.000 1.085 150 I HN 0.134 nan 8.210 nan 0.000 0.427 151 S N 0.239 115.945 115.700 0.011 0.000 2.370 151 S HA -0.084 4.386 4.470 0.001 0.000 0.226 151 S C 1.810 176.417 174.600 0.011 0.000 1.033 151 S CA 1.250 59.459 58.200 0.015 0.000 1.011 151 S CB -0.250 62.965 63.200 0.024 0.000 0.852 151 S HN 0.436 nan 8.310 nan 0.000 0.457 152 A N 1.094 123.920 122.820 0.009 0.000 2.734 152 A HA 0.355 4.675 4.320 0.001 0.000 0.279 152 A C 0.530 178.115 177.584 0.002 0.000 1.386 152 A CA -0.104 51.937 52.037 0.007 0.000 0.987 152 A CB -1.258 17.747 19.000 0.009 0.000 1.041 152 A HN 0.750 nan 8.150 nan 0.000 0.569 153 N N 0.335 119.035 118.700 0.000 0.000 2.705 153 N HA -0.220 4.520 4.740 0.001 0.000 0.255 153 N C -0.130 175.376 175.510 -0.007 0.000 1.008 153 N CA 0.473 53.521 53.050 -0.003 0.000 0.742 153 N CB -0.812 37.673 38.487 -0.003 0.000 0.906 153 N HN 0.454 nan 8.380 nan 0.000 0.541 154 S N -0.376 115.319 115.700 -0.008 0.000 3.812 154 S HA -0.191 4.279 4.470 0.001 0.000 0.341 154 S C -0.671 173.923 174.600 -0.010 0.000 1.057 154 S CA 0.903 59.095 58.200 -0.012 0.000 1.015 154 S CB -0.673 62.516 63.200 -0.019 0.000 0.893 154 S HN 0.679 nan 8.310 nan 0.000 0.476 155 D N 0.926 121.323 120.400 -0.006 0.000 2.472 155 D HA 0.287 4.927 4.640 0.001 0.000 0.234 155 D C 1.100 177.398 176.300 -0.003 0.000 1.088 155 D CA -0.480 53.517 54.000 -0.004 0.000 0.882 155 D CB 0.573 41.372 40.800 -0.002 0.000 1.037 155 D HN 0.393 nan 8.370 nan 0.000 0.520 156 E N 0.981 121.178 120.200 -0.005 0.000 2.171 156 E HA -0.162 4.188 4.350 0.001 0.000 0.197 156 E C 1.192 177.791 176.600 -0.001 0.000 0.997 156 E CA 1.392 57.790 56.400 -0.004 0.000 0.810 156 E CB 0.378 30.075 29.700 -0.006 0.000 0.738 156 E HN 0.506 nan 8.360 nan 0.000 0.467 157 T N 0.391 114.945 114.554 -0.001 0.000 2.821 157 T HA -0.094 4.256 4.350 0.001 0.000 0.267 157 T C 2.132 176.833 174.700 0.003 0.000 1.046 157 T CA 0.980 63.081 62.100 0.001 0.000 1.139 157 T CB -0.172 68.696 68.868 0.000 0.000 0.871 157 T HN -0.003 nan 8.240 nan 0.000 0.454 158 V N 1.697 121.614 119.914 0.004 0.000 2.358 158 V HA -0.050 4.070 4.120 0.001 0.000 0.246 158 V C 2.883 178.983 176.094 0.009 0.000 1.047 158 V CA 1.779 64.083 62.300 0.008 0.000 1.035 158 V CB -1.553 30.276 31.823 0.010 0.000 0.658 158 V HN 0.573 nan 8.190 nan 0.000 0.452 159 G N 0.395 109.199 108.800 0.007 0.000 2.545 159 G HA2 -0.381 3.579 3.960 0.001 0.000 0.217 159 G HA3 -0.381 3.579 3.960 0.001 0.000 0.217 159 G C 1.555 176.458 174.900 0.006 0.000 1.218 159 G CA 1.404 46.509 45.100 0.007 0.000 0.787 159 G HN 0.460 nan 8.290 nan 0.000 0.571 160 K N -0.174 120.228 120.400 0.004 0.000 2.089 160 K HA -0.108 4.212 4.320 0.001 0.000 0.210 160 K C 2.329 178.932 176.600 0.004 0.000 1.048 160 K CA 1.183 57.472 56.287 0.003 0.000 0.926 160 K CB -0.669 31.832 32.500 0.001 0.000 0.714 160 K HN 0.255 nan 8.250 nan 0.000 0.448 161 L N 0.371 121.597 121.223 0.005 0.000 2.072 161 L HA 0.061 4.401 4.340 0.001 0.000 0.205 161 L C 2.059 178.933 176.870 0.007 0.000 1.079 161 L CA 1.482 56.325 54.840 0.006 0.000 0.752 161 L CB -0.427 41.636 42.059 0.007 0.000 0.906 161 L HN 0.265 nan 8.230 nan 0.000 0.436 162 I N -0.988 119.588 120.570 0.009 0.000 2.286 162 I HA -0.242 3.928 4.170 0.001 0.000 0.245 162 I C 2.537 178.658 176.117 0.007 0.000 1.104 162 I CA 1.065 62.371 61.300 0.010 0.000 1.397 162 I CB -0.477 37.532 38.000 0.015 0.000 1.072 162 I HN 0.252 nan 8.210 nan 0.000 0.417 163 A N 0.312 123.136 122.820 0.006 0.000 1.883 163 A HA -0.281 4.039 4.320 0.001 0.000 0.217 163 A C 2.241 179.826 177.584 0.003 0.000 1.186 163 A CA 1.978 54.018 52.037 0.005 0.000 0.624 163 A CB -0.722 18.280 19.000 0.004 0.000 0.822 163 A HN 0.436 nan 8.150 nan 0.000 0.444 164 E N -0.560 119.642 120.200 0.003 0.000 2.085 164 E HA -0.162 4.188 4.350 0.001 0.000 0.194 164 E C 2.340 178.941 176.600 0.002 0.000 0.994 164 E CA 0.950 57.351 56.400 0.002 0.000 0.801 164 E CB -0.277 29.424 29.700 0.002 0.000 0.743 164 E HN 0.636 nan 8.360 nan 0.000 0.453 165 A N 1.071 123.893 122.820 0.003 0.000 1.845 165 A HA -0.223 4.098 4.320 0.001 0.000 0.215 165 A C 2.172 179.756 177.584 0.001 0.000 1.195 165 A CA 1.669 53.707 52.037 0.002 0.000 0.616 165 A CB -0.553 18.449 19.000 0.004 0.000 0.832 165 A HN 0.152 nan 8.150 nan 0.000 0.443 166 M N -0.958 118.642 119.600 0.000 0.000 2.149 166 M HA -0.188 4.293 4.480 0.001 0.000 0.261 166 M C 1.875 178.175 176.300 -0.002 0.000 1.064 166 M CA 1.998 57.297 55.300 -0.002 0.000 1.102 166 M CB -0.634 31.965 32.600 -0.001 0.000 1.369 166 M HN 0.539 nan 8.290 nan 0.000 0.408 167 D N 0.398 120.798 120.400 -0.000 0.000 2.149 167 D HA -0.171 4.469 4.640 0.001 0.000 0.198 167 D C 1.903 178.202 176.300 -0.001 0.000 0.990 167 D CA 1.470 55.469 54.000 -0.000 0.000 0.839 167 D CB 0.217 41.017 40.800 0.000 0.000 0.948 167 D HN 0.162 nan 8.370 nan 0.000 0.460 168 K N -0.927 119.473 120.400 -0.001 0.000 2.202 168 K HA 0.044 4.365 4.320 0.001 0.000 0.201 168 K C 1.948 178.548 176.600 -0.001 0.000 1.051 168 K CA 0.729 57.015 56.287 -0.001 0.000 0.977 168 K CB 0.389 32.889 32.500 -0.000 0.000 0.792 168 K HN 0.134 nan 8.250 nan 0.000 0.469 169 V N -2.729 117.184 119.914 -0.002 0.000 2.788 169 V HA 0.311 4.431 4.120 0.001 0.000 0.251 169 V C 1.032 177.124 176.094 -0.004 0.000 1.068 169 V CA 0.681 62.980 62.300 -0.002 0.000 1.090 169 V CB -0.796 31.026 31.823 -0.003 0.000 0.710 169 V HN 0.362 nan 8.190 nan 0.000 0.467 170 G N 0.331 109.128 108.800 -0.004 0.000 2.472 170 G HA2 -0.172 3.788 3.960 0.001 0.000 0.205 170 G HA3 -0.172 3.788 3.960 0.001 0.000 0.205 170 G C 0.148 175.044 174.900 -0.006 0.000 1.270 170 G CA 0.173 45.270 45.100 -0.005 0.000 0.974 170 G HN 0.273 nan 8.290 nan 0.000 0.542 171 K N 0.050 120.446 120.400 -0.007 0.000 2.202 171 K HA 0.165 4.486 4.320 0.001 0.000 0.201 171 K C 1.538 178.131 176.600 -0.012 0.000 1.051 171 K CA 0.867 57.148 56.287 -0.009 0.000 0.977 171 K CB 0.117 32.612 32.500 -0.007 0.000 0.792 171 K HN 0.437 nan 8.250 nan 0.000 0.469 172 E N 1.036 121.229 120.200 -0.011 0.000 2.320 172 E HA 0.062 4.413 4.350 0.001 0.000 0.189 172 E C -0.033 176.559 176.600 -0.014 0.000 1.100 172 E CA -0.129 56.263 56.400 -0.014 0.000 1.009 172 E CB 0.626 30.318 29.700 -0.013 0.000 1.145 172 E HN 0.198 nan 8.360 nan 0.000 0.454 173 G N 0.244 109.037 108.800 -0.013 0.000 2.481 173 G HA2 0.443 4.403 3.960 0.001 0.000 0.315 173 G HA3 0.443 4.403 3.960 0.001 0.000 0.315 173 G C -0.423 174.469 174.900 -0.013 0.000 1.231 173 G CA -0.460 44.634 45.100 -0.011 0.000 0.968 173 G HN -0.024 nan 8.290 nan 0.000 0.482 174 V N 1.222 121.130 119.914 -0.010 0.000 2.539 174 V HA 0.532 4.652 4.120 0.001 0.000 0.292 174 V C -0.129 175.962 176.094 -0.005 0.000 1.045 174 V CA -0.525 61.769 62.300 -0.010 0.000 0.945 174 V CB 1.389 33.209 31.823 -0.006 0.000 0.993 174 V HN 0.574 nan 8.190 nan 0.000 0.464 175 I N 3.571 124.137 120.570 -0.007 0.000 2.447 175 I HA 0.481 4.651 4.170 0.001 0.000 0.287 175 I C 0.220 176.341 176.117 0.006 0.000 1.023 175 I CA -0.106 61.194 61.300 0.000 0.000 1.083 175 I CB 2.217 40.216 38.000 -0.001 0.000 1.245 175 I HN 0.783 nan 8.210 nan 0.000 0.434 176 T N 2.838 117.400 114.554 0.014 0.000 2.950 176 T HA 0.728 5.079 4.350 0.001 0.000 0.288 176 T C -0.570 174.146 174.700 0.026 0.000 1.035 176 T CA -0.938 61.176 62.100 0.024 0.000 1.028 176 T CB 2.412 71.296 68.868 0.026 0.000 1.109 176 T HN 0.326 nan 8.240 nan 0.000 0.514 177 V N 1.056 120.990 119.914 0.033 0.000 2.577 177 V HA 0.681 4.801 4.120 0.001 0.000 0.303 177 V C -1.434 174.677 176.094 0.027 0.000 1.042 177 V CA -0.527 61.791 62.300 0.031 0.000 0.872 177 V CB 1.328 33.174 31.823 0.038 0.000 0.998 177 V HN 1.106 nan 8.190 nan 0.000 0.423 178 E N 3.705 123.917 120.200 0.020 0.000 2.423 178 E HA 0.550 4.900 4.350 0.001 0.000 0.269 178 E C -1.658 174.949 176.600 0.013 0.000 0.948 178 E CA -1.139 55.272 56.400 0.017 0.000 0.802 178 E CB 1.224 30.932 29.700 0.014 0.000 1.339 178 E HN 0.595 nan 8.360 nan 0.000 0.445 179 D N 0.839 121.246 120.400 0.011 0.000 2.390 179 D HA 0.252 4.893 4.640 0.001 0.000 0.249 179 D C 0.112 176.415 176.300 0.005 0.000 1.144 179 D CA 0.224 54.229 54.000 0.008 0.000 0.880 179 D CB 1.115 41.919 40.800 0.007 0.000 1.182 179 D HN 0.523 nan 8.370 nan 0.000 0.451 180 G N 0.015 108.818 108.800 0.005 0.000 2.502 180 G HA2 0.354 4.314 3.960 0.001 0.000 0.305 180 G HA3 0.354 4.314 3.960 0.001 0.000 0.305 180 G C 1.067 175.967 174.900 0.001 0.000 1.190 180 G CA -0.277 44.824 45.100 0.003 0.000 0.933 180 G HN 0.417 nan 8.290 nan 0.000 0.503 181 T N -1.660 112.894 114.554 -0.000 0.000 2.901 181 T HA 0.221 4.572 4.350 0.001 0.000 0.252 181 T C 1.575 176.274 174.700 -0.000 0.000 1.035 181 T CA 0.893 62.992 62.100 -0.001 0.000 1.142 181 T CB -0.452 68.415 68.868 -0.002 0.000 0.869 181 T HN 0.723 nan 8.240 nan 0.000 0.442 182 G N 0.638 109.437 108.800 -0.001 0.000 2.516 182 G HA2 0.481 4.441 3.960 0.001 0.000 0.276 182 G HA3 0.481 4.441 3.960 0.001 0.000 0.276 182 G C 0.571 175.471 174.900 -0.000 0.000 1.390 182 G CA -0.592 44.507 45.100 -0.001 0.000 1.050 182 G HN 0.310 nan 8.290 nan 0.000 0.519 183 L N -0.771 120.452 121.223 -0.000 0.000 2.375 183 L HA 0.123 4.463 4.340 0.001 0.000 0.215 183 L C 0.581 177.451 176.870 0.000 0.000 1.108 183 L CA 0.741 55.581 54.840 -0.000 0.000 0.830 183 L CB -0.210 41.848 42.059 -0.001 0.000 0.959 183 L HN 0.520 nan 8.230 nan 0.000 0.457 184 Q N -0.579 119.221 119.800 0.000 0.000 2.301 184 Q HA 0.313 4.653 4.340 0.001 0.000 0.267 184 Q C -0.703 175.298 176.000 0.001 0.000 1.035 184 Q CA -0.748 55.055 55.803 0.000 0.000 0.856 184 Q CB 0.842 29.579 28.738 -0.000 0.000 1.337 184 Q HN -0.023 nan 8.270 nan 0.000 0.450 185 D N 1.117 121.518 120.400 0.002 0.000 2.382 185 D HA 0.098 4.739 4.640 0.001 0.000 0.240 185 D C -0.497 175.805 176.300 0.002 0.000 1.146 185 D CA 0.253 54.255 54.000 0.003 0.000 0.897 185 D CB 0.903 41.705 40.800 0.004 0.000 1.197 185 D HN 0.592 nan 8.370 nan 0.000 0.432 186 E N 0.485 120.687 120.200 0.003 0.000 2.321 186 E HA 0.331 4.681 4.350 0.001 0.000 0.281 186 E C -1.900 174.702 176.600 0.002 0.000 0.910 186 E CA -0.756 55.645 56.400 0.002 0.000 0.770 186 E CB 1.792 31.492 29.700 0.000 0.000 1.225 186 E HN 0.165 nan 8.360 nan 0.000 0.417 187 L N 4.031 125.255 121.223 0.002 0.000 2.287 187 L HA 0.522 4.862 4.340 0.001 0.000 0.287 187 L C -1.407 175.463 176.870 0.000 0.000 1.022 187 L CA -0.148 54.693 54.840 0.002 0.000 0.814 187 L CB 1.385 43.446 42.059 0.002 0.000 1.217 187 L HN 0.428 nan 8.230 nan 0.000 0.420 188 D N 4.430 124.830 120.400 0.000 0.000 2.391 188 D HA 0.445 5.086 4.640 0.001 0.000 0.245 188 D C -1.040 175.260 176.300 -0.001 0.000 1.069 188 D CA -0.064 53.935 54.000 -0.001 0.000 0.831 188 D CB 2.575 43.373 40.800 -0.003 0.000 1.204 188 D HN 0.272 nan 8.370 nan 0.000 0.503 189 V N 2.575 122.488 119.914 -0.001 0.000 2.409 189 V HA 0.267 4.387 4.120 0.001 0.000 0.291 189 V C 0.110 176.204 176.094 -0.001 0.000 1.020 189 V CA -0.832 61.467 62.300 -0.001 0.000 0.848 189 V CB 2.003 33.826 31.823 -0.000 0.000 0.990 189 V HN 0.269 nan 8.190 nan 0.000 0.430 190 V N 4.449 124.363 119.914 0.000 0.000 2.383 190 V HA 0.340 4.460 4.120 0.001 0.000 0.275 190 V C 0.735 176.831 176.094 0.004 0.000 1.036 190 V CA -0.485 61.815 62.300 0.001 0.000 0.889 190 V CB 1.359 33.183 31.823 0.002 0.000 0.985 190 V HN 0.840 nan 8.190 nan 0.000 0.459 191 E N 4.158 124.360 120.200 0.002 0.000 2.351 191 E HA 0.386 4.736 4.350 0.001 0.000 0.236 191 E C 0.703 177.308 176.600 0.008 0.000 1.341 191 E CA 0.248 56.650 56.400 0.004 0.000 1.579 191 E CB 0.710 30.410 29.700 0.001 0.000 1.393 191 E HN 0.958 nan 8.360 nan 0.000 0.438 192 G N 0.185 108.991 108.800 0.009 0.000 2.498 192 G HA2 0.168 4.128 3.960 0.001 0.000 0.181 192 G HA3 0.168 4.128 3.960 0.001 0.000 0.181 192 G C -1.322 173.594 174.900 0.026 0.000 1.169 192 G CA -0.741 44.368 45.100 0.016 0.000 0.992 192 G HN 0.161 nan 8.290 nan 0.000 0.490 193 M N 1.280 120.906 119.600 0.043 0.000 2.364 193 M HA 0.712 5.192 4.480 0.001 0.000 0.334 193 M C -0.910 175.450 176.300 0.100 0.000 1.107 193 M CA -0.581 54.763 55.300 0.073 0.000 0.988 193 M CB 1.884 34.535 32.600 0.085 0.000 1.673 193 M HN 0.719 nan 8.290 nan 0.000 0.441 194 Q N 4.590 124.458 119.800 0.114 0.000 2.377 194 Q HA 0.610 4.950 4.340 0.001 0.000 0.279 194 Q C -2.226 173.875 176.000 0.169 0.000 1.049 194 Q CA -0.691 55.157 55.803 0.075 0.000 0.825 194 Q CB 2.391 31.116 28.738 -0.022 0.000 1.401 194 Q HN 0.733 nan 8.270 nan 0.000 0.404 195 F N -0.634 119.306 119.950 -0.016 0.000 2.613 195 F HA 0.504 5.031 4.527 0.001 0.000 0.314 195 F C -0.779 175.009 175.800 -0.019 0.000 1.075 195 F CA -1.220 56.767 58.000 -0.021 0.000 0.945 195 F CB 1.104 40.087 39.000 -0.029 0.000 1.310 195 F HN 0.323 nan 8.300 nan 0.000 0.467 196 D N 2.495 122.970 120.400 0.125 0.000 2.441 196 D HA 0.221 4.861 4.640 0.001 0.000 0.243 196 D C -0.513 175.813 176.300 0.044 0.000 1.257 196 D CA 0.516 54.535 54.000 0.031 0.000 1.027 196 D CB 0.258 41.099 40.800 0.068 0.000 1.084 196 D HN 0.462 nan 8.370 nan 0.000 0.514 197 R N 0.466 120.900 120.500 -0.110 0.000 2.523 197 R HA 0.427 4.767 4.340 0.001 0.000 0.278 197 R C -0.514 175.682 176.300 -0.174 0.000 1.150 197 R CA -0.528 55.533 56.100 -0.064 0.000 0.987 197 R CB 1.455 31.835 30.300 0.133 0.000 1.232 197 R HN 0.291 nan 8.270 nan 0.000 0.424 198 G N 1.982 110.687 108.800 -0.158 0.000 2.462 198 G HA2 0.372 4.332 3.960 0.001 0.000 0.319 198 G HA3 0.372 4.332 3.960 0.001 0.000 0.319 198 G C -0.865 173.931 174.900 -0.173 0.000 1.171 198 G CA -0.595 44.326 45.100 -0.298 0.000 0.920 198 G HN 0.528 nan 8.290 nan 0.000 0.499 199 Y N -0.623 119.685 120.300 0.014 0.000 2.702 199 Y HA 0.268 4.818 4.550 0.001 0.000 0.336 199 Y C 1.105 177.028 175.900 0.039 0.000 1.235 199 Y CA -0.980 57.150 58.100 0.051 0.000 1.492 199 Y CB 0.333 38.844 38.460 0.084 0.000 1.308 199 Y HN 0.212 nan 8.280 nan 0.000 0.589 200 L N 1.631 123.010 121.223 0.261 0.000 2.375 200 L HA 0.057 4.397 4.340 0.001 0.000 0.215 200 L C 1.086 178.057 176.870 0.169 0.000 1.108 200 L CA 0.878 55.821 54.840 0.172 0.000 0.830 200 L CB 0.022 42.148 42.059 0.110 0.000 0.959 200 L HN 0.751 nan 8.230 nan 0.000 0.457 201 S N 0.826 116.632 115.700 0.177 0.000 2.528 201 S HA 0.302 4.772 4.470 0.001 0.000 0.303 201 S C -1.544 173.016 174.600 -0.066 0.000 1.123 201 S CA -1.561 56.689 58.200 0.084 0.000 1.138 201 S CB 0.810 64.048 63.200 0.064 0.000 0.984 201 S HN -0.066 nan 8.310 nan 0.000 0.474 202 P HA -0.056 nan 4.420 nan 0.000 0.223 202 P C 0.154 177.174 177.300 -0.467 0.000 1.151 202 P CA 0.767 63.574 63.100 -0.488 0.000 0.787 202 P CB -0.176 31.306 31.700 -0.363 0.000 0.788 203 Y N -1.435 118.820 120.300 -0.075 0.000 2.581 203 Y HA 0.195 4.745 4.550 0.001 0.000 0.346 203 Y C 1.732 177.665 175.900 0.056 0.000 1.147 203 Y CA -0.003 58.082 58.100 -0.024 0.000 1.353 203 Y CB -1.282 37.180 38.460 0.002 0.000 1.187 203 Y HN -0.010 nan 8.280 nan 0.000 0.505 204 F N -1.024 118.845 119.950 -0.134 0.000 2.778 204 F HA 0.300 4.827 4.527 0.001 0.000 0.314 204 F C 0.654 176.373 175.800 -0.133 0.000 1.073 204 F CA -0.295 57.638 58.000 -0.111 0.000 1.218 204 F CB 0.564 39.498 39.000 -0.110 0.000 1.037 204 F HN -0.188 nan 8.300 nan 0.000 0.594 205 I N 4.444 124.817 120.570 -0.328 0.000 3.247 205 I HA -0.263 3.907 4.170 0.001 0.000 0.309 205 I C 0.878 176.826 176.117 -0.281 0.000 1.246 205 I CA 0.565 61.660 61.300 -0.342 0.000 1.384 205 I CB 0.003 37.862 38.000 -0.234 0.000 1.401 205 I HN 0.402 nan 8.210 nan 0.000 0.520 206 N N 6.635 125.117 118.700 -0.363 0.000 2.314 206 N HA -0.006 4.735 4.740 0.001 0.000 0.200 206 N C -0.131 175.295 175.510 -0.141 0.000 1.135 206 N CA 0.061 52.967 53.050 -0.240 0.000 0.835 206 N CB 0.532 38.848 38.487 -0.284 0.000 0.989 206 N HN 0.480 nan 8.380 nan 0.000 0.478 207 K N 0.995 121.321 120.400 -0.124 0.000 2.803 207 K HA 0.262 4.582 4.320 0.001 0.000 0.229 207 K C -2.355 174.212 176.600 -0.056 0.000 1.084 207 K CA -1.175 55.068 56.287 -0.075 0.000 1.063 207 K CB 2.325 34.786 32.500 -0.065 0.000 1.254 207 K HN -0.134 nan 8.250 nan 0.000 0.551 208 P HA -0.094 nan 4.420 nan 0.000 0.231 208 P C 0.588 177.877 177.300 -0.017 0.000 1.158 208 P CA 0.931 64.014 63.100 -0.029 0.000 0.763 208 P CB 0.552 32.240 31.700 -0.020 0.000 0.805 209 E N -0.734 119.454 120.200 -0.019 0.000 2.047 209 E HA -0.117 4.234 4.350 0.001 0.000 0.191 209 E C 1.923 178.517 176.600 -0.010 0.000 0.987 209 E CA 1.984 58.376 56.400 -0.013 0.000 0.799 209 E CB -1.161 28.530 29.700 -0.015 0.000 0.752 209 E HN 0.337 nan 8.360 nan 0.000 0.449 210 T N -3.367 111.180 114.554 -0.012 0.000 3.057 210 T HA 0.247 4.598 4.350 0.001 0.000 0.254 210 T C 1.461 176.164 174.700 0.006 0.000 1.094 210 T CA 0.252 62.348 62.100 -0.006 0.000 1.088 210 T CB 0.234 69.096 68.868 -0.011 0.000 0.934 210 T HN 0.279 nan 8.240 nan 0.000 0.497 211 G N 1.199 110.003 108.800 0.006 0.000 2.256 211 G HA2 0.193 4.154 3.960 0.001 0.000 0.272 211 G HA3 0.193 4.154 3.960 0.001 0.000 0.272 211 G C 0.019 174.967 174.900 0.081 0.000 1.076 211 G CA -0.116 45.002 45.100 0.031 0.000 0.882 211 G HN 1.236 nan 8.290 nan 0.000 0.497 212 A N -1.290 121.551 122.820 0.035 0.000 2.556 212 A HA 0.885 5.205 4.320 0.001 0.000 0.294 212 A C -0.361 177.200 177.584 -0.039 0.000 1.091 212 A CA -0.318 51.757 52.037 0.062 0.000 0.704 212 A CB 1.960 20.978 19.000 0.031 0.000 1.300 212 A HN 1.294 nan 8.150 nan 0.000 0.406 213 V N 1.338 121.229 119.914 -0.038 0.000 2.407 213 V HA 0.341 4.462 4.120 0.001 0.000 0.278 213 V C -0.091 175.936 176.094 -0.112 0.000 1.037 213 V CA -0.043 62.148 62.300 -0.182 0.000 0.900 213 V CB 1.033 32.722 31.823 -0.224 0.000 0.983 213 V HN 0.869 nan 8.190 nan 0.000 0.459 214 E N 5.362 125.480 120.200 -0.136 0.000 2.376 214 E HA 0.373 4.724 4.350 0.001 0.000 0.236 214 E C -0.984 175.580 176.600 -0.060 0.000 0.962 214 E CA -0.308 56.047 56.400 -0.075 0.000 0.768 214 E CB 1.143 30.805 29.700 -0.063 0.000 1.236 214 E HN 0.578 nan 8.360 nan 0.000 0.431 215 L N 2.791 123.999 121.223 -0.024 0.000 2.325 215 L HA 0.200 4.540 4.340 0.001 0.000 0.284 215 L C 0.413 177.286 176.870 0.006 0.000 1.089 215 L CA -0.384 54.464 54.840 0.013 0.000 0.836 215 L CB 0.318 42.421 42.059 0.072 0.000 1.184 215 L HN 0.371 nan 8.230 nan 0.000 0.444 216 E N 3.266 123.466 120.200 -0.001 0.000 2.180 216 E HA 0.039 4.390 4.350 0.001 0.000 0.283 216 E C 0.421 177.007 176.600 -0.024 0.000 1.061 216 E CA 0.029 56.421 56.400 -0.013 0.000 0.861 216 E CB 0.731 30.423 29.700 -0.013 0.000 1.056 216 E HN 0.492 nan 8.360 nan 0.000 0.407 217 S N 4.593 120.269 115.700 -0.040 0.000 3.405 217 S HA -0.116 4.355 4.470 0.001 0.000 0.373 217 S C -2.454 172.069 174.600 -0.129 0.000 0.939 217 S CA 0.357 58.508 58.200 -0.080 0.000 1.295 217 S CB -0.868 62.281 63.200 -0.084 0.000 0.919 217 S HN 0.522 nan 8.310 nan 0.000 0.535 218 P HA 0.612 nan 4.420 nan 0.000 0.286 218 P C -0.067 177.139 177.300 -0.157 0.000 1.292 218 P CA -0.878 62.176 63.100 -0.076 0.000 0.842 218 P CB 0.455 32.181 31.700 0.044 0.000 1.207 219 F N -0.424 119.550 119.950 0.039 0.000 2.370 219 F HA 0.433 4.960 4.527 0.001 0.000 0.324 219 F C 0.745 176.569 175.800 0.040 0.000 1.116 219 F CA 0.089 58.109 58.000 0.033 0.000 1.123 219 F CB 0.412 39.428 39.000 0.027 0.000 1.238 219 F HN 0.007 nan 8.300 nan 0.000 0.536 220 I N 2.941 123.669 120.570 0.263 0.000 2.478 220 I HA 0.275 4.445 4.170 0.001 0.000 0.287 220 I C -1.377 174.813 176.117 0.121 0.000 1.042 220 I CA -0.692 60.703 61.300 0.158 0.000 1.067 220 I CB 1.869 39.938 38.000 0.114 0.000 1.233 220 I HN 0.262 nan 8.210 nan 0.000 0.431 221 L N 7.778 129.054 121.223 0.090 0.000 2.282 221 L HA 0.548 4.888 4.340 0.001 0.000 0.288 221 L C -1.117 175.775 176.870 0.038 0.000 1.033 221 L CA -0.067 54.803 54.840 0.051 0.000 0.807 221 L CB 0.912 42.990 42.059 0.032 0.000 1.209 221 L HN 0.474 nan 8.230 nan 0.000 0.423 222 L N 6.482 127.718 121.223 0.021 0.000 2.297 222 L HA 0.592 4.933 4.340 0.001 0.000 0.277 222 L C -0.008 176.861 176.870 -0.002 0.000 1.040 222 L CA -0.565 54.278 54.840 0.005 0.000 0.867 222 L CB 1.133 43.188 42.059 -0.007 0.000 1.244 222 L HN 0.808 nan 8.230 nan 0.000 0.433 223 A N 1.477 124.297 122.820 0.000 0.000 2.260 223 A HA 0.207 4.528 4.320 0.001 0.000 0.312 223 A C 0.625 178.205 177.584 -0.007 0.000 1.321 223 A CA -0.518 51.518 52.037 -0.002 0.000 0.928 223 A CB 0.707 19.709 19.000 0.004 0.000 1.158 223 A HN 0.775 nan 8.150 nan 0.000 0.542 224 D N 2.406 122.800 120.400 -0.010 0.000 2.097 224 D HA -0.111 4.530 4.640 0.001 0.000 0.197 224 D C 0.942 177.239 176.300 -0.005 0.000 0.984 224 D CA 1.734 55.727 54.000 -0.013 0.000 0.826 224 D CB 0.006 40.798 40.800 -0.013 0.000 0.973 224 D HN 0.666 nan 8.370 nan 0.000 0.460 225 K N 0.518 120.917 120.400 -0.002 0.000 2.149 225 K HA 0.130 4.451 4.320 0.001 0.000 0.245 225 K C -0.096 176.508 176.600 0.007 0.000 1.024 225 K CA -0.498 55.791 56.287 0.003 0.000 0.899 225 K CB 0.175 32.676 32.500 0.002 0.000 1.038 225 K HN -0.025 nan 8.250 nan 0.000 0.496 226 K N 1.027 121.433 120.400 0.010 0.000 2.172 226 K HA 0.335 4.655 4.320 0.001 0.000 0.276 226 K C -0.668 175.939 176.600 0.011 0.000 1.013 226 K CA -0.520 55.775 56.287 0.014 0.000 0.913 226 K CB 0.674 33.185 32.500 0.018 0.000 1.055 226 K HN 0.507 nan 8.250 nan 0.000 0.461 227 I N 1.834 122.412 120.570 0.012 0.000 2.440 227 I HA 0.031 4.201 4.170 0.001 0.000 0.294 227 I C 0.872 176.995 176.117 0.010 0.000 0.995 227 I CA -0.080 61.225 61.300 0.009 0.000 1.306 227 I CB 1.783 39.787 38.000 0.007 0.000 1.407 227 I HN 0.910 nan 8.210 nan 0.000 0.501 228 S N 3.015 118.719 115.700 0.007 0.000 2.617 228 S HA 0.242 4.712 4.470 0.001 0.000 0.278 228 S C -0.298 174.304 174.600 0.003 0.000 1.082 228 S CA -0.272 57.932 58.200 0.007 0.000 1.228 228 S CB 0.140 63.345 63.200 0.008 0.000 1.130 228 S HN 0.748 nan 8.310 nan 0.000 0.621 229 N N 1.288 119.989 118.700 0.000 0.000 2.321 229 N HA 0.419 5.160 4.740 0.001 0.000 0.299 229 N C 0.059 175.566 175.510 -0.006 0.000 1.048 229 N CA -0.618 52.431 53.050 -0.003 0.000 0.836 229 N CB 1.271 39.756 38.487 -0.003 0.000 1.269 229 N HN 0.016 nan 8.380 nan 0.000 0.486 230 I N 1.253 121.818 120.570 -0.008 0.000 2.756 230 I HA -0.034 4.136 4.170 0.001 0.000 0.262 230 I C 2.124 178.233 176.117 -0.013 0.000 1.225 230 I CA 1.082 62.374 61.300 -0.012 0.000 1.472 230 I CB -0.191 37.800 38.000 -0.014 0.000 1.094 230 I HN 0.573 nan 8.210 nan 0.000 0.454 231 R N 0.545 121.038 120.500 -0.011 0.000 2.097 231 R HA -0.254 4.086 4.340 0.001 0.000 0.236 231 R C 2.065 178.357 176.300 -0.013 0.000 1.135 231 R CA 2.273 58.367 56.100 -0.011 0.000 0.934 231 R CB -0.258 30.037 30.300 -0.008 0.000 0.846 231 R HN 0.350 nan 8.270 nan 0.000 0.431 232 E N -0.530 119.663 120.200 -0.012 0.000 2.267 232 E HA -0.190 4.160 4.350 0.001 0.000 0.197 232 E C 1.846 178.435 176.600 -0.017 0.000 0.998 232 E CA 1.254 57.646 56.400 -0.013 0.000 0.830 232 E CB 0.056 29.750 29.700 -0.010 0.000 0.751 232 E HN 0.300 nan 8.360 nan 0.000 0.491 233 M N -0.400 119.189 119.600 -0.018 0.000 2.193 233 M HA -0.010 4.471 4.480 0.001 0.000 0.265 233 M C 2.158 178.442 176.300 -0.027 0.000 1.071 233 M CA 1.051 56.337 55.300 -0.022 0.000 1.140 233 M CB -0.876 31.711 32.600 -0.022 0.000 1.369 233 M HN 0.155 nan 8.290 nan 0.000 0.423 234 L N 0.020 121.229 121.223 -0.023 0.000 2.030 234 L HA -0.286 4.054 4.340 0.001 0.000 0.222 234 L C -0.327 176.526 176.870 -0.028 0.000 1.082 234 L CA 2.099 56.925 54.840 -0.024 0.000 0.785 234 L CB -2.417 39.630 42.059 -0.019 0.000 0.895 234 L HN 0.180 nan 8.230 nan 0.000 0.439 235 P HA -0.158 nan 4.420 nan 0.000 0.214 235 P C 1.816 179.088 177.300 -0.047 0.000 1.163 235 P CA 1.506 64.586 63.100 -0.034 0.000 0.889 235 P CB 0.006 31.688 31.700 -0.030 0.000 0.790 236 V N -1.030 118.852 119.914 -0.053 0.000 2.346 236 V HA -0.126 3.994 4.120 0.001 0.000 0.244 236 V C 2.484 178.530 176.094 -0.081 0.000 1.037 236 V CA 1.052 63.306 62.300 -0.077 0.000 1.029 236 V CB -1.413 30.365 31.823 -0.075 0.000 0.663 236 V HN 0.011 nan 8.190 nan 0.000 0.454 237 L N 0.275 121.464 121.223 -0.056 0.000 2.129 237 L HA -0.251 4.089 4.340 0.001 0.000 0.212 237 L C 2.640 179.485 176.870 -0.043 0.000 1.087 237 L CA 1.930 56.743 54.840 -0.045 0.000 0.757 237 L CB -0.166 41.873 42.059 -0.033 0.000 0.896 237 L HN 0.415 nan 8.230 nan 0.000 0.434 238 E N -0.082 120.092 120.200 -0.043 0.000 2.028 238 E HA -0.198 4.153 4.350 0.001 0.000 0.191 238 E C 2.067 178.640 176.600 -0.046 0.000 0.988 238 E CA 1.610 57.988 56.400 -0.037 0.000 0.799 238 E CB -0.285 29.396 29.700 -0.032 0.000 0.755 238 E HN 0.447 nan 8.360 nan 0.000 0.447 239 A N 0.091 122.868 122.820 -0.071 0.000 2.019 239 A HA -0.122 4.199 4.320 0.001 0.000 0.219 239 A C 2.406 179.921 177.584 -0.115 0.000 1.164 239 A CA 1.640 53.621 52.037 -0.093 0.000 0.644 239 A CB -0.552 18.373 19.000 -0.125 0.000 0.805 239 A HN 0.206 nan 8.150 nan 0.000 0.449 240 V N -0.546 119.292 119.914 -0.127 0.000 2.591 240 V HA -0.130 3.991 4.120 0.001 0.000 0.249 240 V C 2.916 179.016 176.094 0.012 0.000 1.053 240 V CA 1.522 63.770 62.300 -0.087 0.000 1.068 240 V CB -1.120 30.661 31.823 -0.071 0.000 0.689 240 V HN 0.570 nan 8.190 nan 0.000 0.462 241 A N -0.063 122.755 122.820 -0.002 0.000 2.015 241 A HA -0.144 4.176 4.320 0.001 0.000 0.219 241 A C 2.075 179.671 177.584 0.020 0.000 1.163 241 A CA 1.396 53.442 52.037 0.014 0.000 0.646 241 A CB -0.277 18.724 19.000 0.002 0.000 0.806 241 A HN 0.551 nan 8.150 nan 0.000 0.448 242 K N -0.914 119.492 120.400 0.011 0.000 2.397 242 K HA 0.405 4.726 4.320 0.001 0.000 0.202 242 K C 1.019 177.639 176.600 0.033 0.000 1.022 242 K CA 0.419 56.716 56.287 0.016 0.000 1.141 242 K CB 0.400 32.902 32.500 0.003 0.000 0.857 242 K HN 0.386 nan 8.250 nan 0.000 0.514 243 A N -0.128 122.726 122.820 0.057 0.000 2.211 243 A HA 0.395 4.715 4.320 0.001 0.000 0.208 243 A C 1.459 179.119 177.584 0.127 0.000 1.250 243 A CA 0.698 52.800 52.037 0.108 0.000 0.935 243 A CB 0.240 19.339 19.000 0.165 0.000 0.982 243 A HN 0.321 nan 8.150 nan 0.000 0.490 244 G N 0.099 108.964 108.800 0.108 0.000 2.579 244 G HA2 -0.291 3.670 3.960 0.001 0.000 0.222 244 G HA3 -0.291 3.670 3.960 0.001 0.000 0.222 244 G C 0.439 175.404 174.900 0.110 0.000 1.201 244 G CA 0.391 45.545 45.100 0.090 0.000 0.710 244 G HN 0.567 nan 8.290 nan 0.000 0.516 245 K N 2.413 122.904 120.400 0.152 0.000 2.485 245 K HA 0.385 4.705 4.320 0.001 0.000 0.277 245 K C -1.958 174.752 176.600 0.184 0.000 0.990 245 K CA -0.707 55.655 56.287 0.126 0.000 0.994 245 K CB 0.526 33.044 32.500 0.030 0.000 0.906 245 K HN 0.240 nan 8.250 nan 0.000 0.488 246 P HA 0.071 nan 4.420 nan 0.000 0.275 246 P C -1.280 176.144 177.300 0.207 0.000 1.270 246 P CA -0.451 62.743 63.100 0.158 0.000 0.791 246 P CB 0.455 32.235 31.700 0.133 0.000 1.089 247 L N 0.240 121.575 121.223 0.188 0.000 2.470 247 L HA 0.553 4.893 4.340 0.001 0.000 0.268 247 L C -1.732 175.230 176.870 0.153 0.000 0.964 247 L CA -0.847 54.106 54.840 0.188 0.000 0.839 247 L CB 1.641 43.790 42.059 0.150 0.000 1.276 247 L HN 0.098 nan 8.230 nan 0.000 0.403 248 L N 5.916 127.232 121.223 0.155 0.000 2.307 248 L HA 0.680 5.020 4.340 0.001 0.000 0.282 248 L C -1.107 175.832 176.870 0.115 0.000 1.051 248 L CA 0.114 55.041 54.840 0.145 0.000 0.804 248 L CB 1.267 43.417 42.059 0.152 0.000 1.197 248 L HN 0.614 nan 8.230 nan 0.000 0.431 249 I N 6.541 127.169 120.570 0.098 0.000 2.390 249 I HA 0.348 4.519 4.170 0.001 0.000 0.283 249 I C -0.634 175.535 176.117 0.086 0.000 1.016 249 I CA -0.078 61.266 61.300 0.073 0.000 1.151 249 I CB 1.110 39.134 38.000 0.040 0.000 1.293 249 I HN 0.467 nan 8.210 nan 0.000 0.458 250 I N 6.304 126.923 120.570 0.081 0.000 2.310 250 I HA 0.558 4.729 4.170 0.001 0.000 0.287 250 I C 0.542 176.681 176.117 0.036 0.000 1.073 250 I CA 0.013 61.360 61.300 0.078 0.000 1.216 250 I CB 0.672 38.713 38.000 0.067 0.000 1.415 250 I HN 0.605 nan 8.210 nan 0.000 0.480 251 A N 4.549 127.393 122.820 0.041 0.000 2.309 251 A HA 0.427 4.747 4.320 0.001 0.000 0.317 251 A C 1.103 178.700 177.584 0.022 0.000 1.134 251 A CA -0.522 51.529 52.037 0.024 0.000 0.866 251 A CB 0.998 20.013 19.000 0.025 0.000 1.329 251 A HN 0.721 nan 8.150 nan 0.000 0.477 252 E N -0.602 119.607 120.200 0.015 0.000 2.085 252 E HA -0.148 4.202 4.350 0.001 0.000 0.194 252 E C -0.322 176.298 176.600 0.033 0.000 0.994 252 E CA 1.459 57.871 56.400 0.019 0.000 0.801 252 E CB 0.162 29.871 29.700 0.016 0.000 0.743 252 E HN 0.616 nan 8.360 nan 0.000 0.453 253 D N -1.558 118.861 120.400 0.033 0.000 2.685 253 D HA 0.200 4.840 4.640 0.001 0.000 0.236 253 D C -1.794 174.526 176.300 0.033 0.000 1.233 253 D CA -0.458 53.565 54.000 0.038 0.000 0.760 253 D CB 2.282 43.104 40.800 0.036 0.000 1.410 253 D HN -0.104 nan 8.370 nan 0.000 0.439 254 V N 2.579 122.515 119.914 0.037 0.000 2.525 254 V HA 0.500 4.620 4.120 0.001 0.000 0.299 254 V C 0.165 176.277 176.094 0.031 0.000 1.034 254 V CA -0.503 61.815 62.300 0.029 0.000 0.863 254 V CB 1.683 33.522 31.823 0.028 0.000 0.999 254 V HN 0.650 nan 8.190 nan 0.000 0.423 255 E N 3.204 123.418 120.200 0.024 0.000 2.296 255 E HA 0.783 5.133 4.350 0.001 0.000 0.224 255 E C 0.528 177.139 176.600 0.019 0.000 0.949 255 E CA -0.391 56.024 56.400 0.025 0.000 0.879 255 E CB 1.021 30.737 29.700 0.026 0.000 1.922 255 E HN 1.129 nan 8.360 nan 0.000 0.437 256 G N 0.977 109.788 108.800 0.019 0.000 2.581 256 G HA2 -0.410 3.550 3.960 0.001 0.000 0.291 256 G HA3 -0.410 3.550 3.960 0.001 0.000 0.291 256 G C 0.619 175.526 174.900 0.012 0.000 1.277 256 G CA 1.093 46.201 45.100 0.014 0.000 0.959 256 G HN 0.789 nan 8.290 nan 0.000 0.554 257 E N 0.180 120.384 120.200 0.006 0.000 2.208 257 E HA 0.365 4.715 4.350 0.001 0.000 0.193 257 E C 2.705 179.304 176.600 -0.002 0.000 0.988 257 E CA 2.089 58.490 56.400 0.002 0.000 0.828 257 E CB -0.739 28.960 29.700 -0.001 0.000 0.763 257 E HN 1.295 nan 8.360 nan 0.000 0.478 258 A N 1.679 124.498 122.820 -0.002 0.000 1.869 258 A HA -0.229 4.092 4.320 0.001 0.000 0.218 258 A C 2.221 179.799 177.584 -0.011 0.000 1.203 258 A CA 1.932 53.965 52.037 -0.007 0.000 0.638 258 A CB -1.054 17.943 19.000 -0.004 0.000 0.831 258 A HN 0.324 nan 8.150 nan 0.000 0.450 259 L N -0.403 120.820 121.223 -0.001 0.000 1.989 259 L HA -0.123 4.218 4.340 0.001 0.000 0.211 259 L C 2.784 179.654 176.870 0.000 0.000 1.071 259 L CA 2.489 57.330 54.840 0.001 0.000 0.749 259 L CB -0.899 41.173 42.059 0.022 0.000 0.890 259 L HN 0.403 nan 8.230 nan 0.000 0.431 260 A N -1.247 121.579 122.820 0.009 0.000 1.908 260 A HA -0.272 4.049 4.320 0.001 0.000 0.218 260 A C 2.339 179.917 177.584 -0.010 0.000 1.181 260 A CA 2.789 54.832 52.037 0.009 0.000 0.627 260 A CB -1.423 17.582 19.000 0.009 0.000 0.818 260 A HN 0.651 nan 8.150 nan 0.000 0.445 261 T N -1.297 113.247 114.554 -0.017 0.000 2.737 261 T HA -0.063 4.287 4.350 0.001 0.000 0.265 261 T C 1.841 176.516 174.700 -0.041 0.000 1.038 261 T CA 1.287 63.372 62.100 -0.026 0.000 1.144 261 T CB -0.718 68.137 68.868 -0.023 0.000 0.866 261 T HN 0.265 nan 8.240 nan 0.000 0.434 262 L N 1.101 122.292 121.223 -0.054 0.000 2.089 262 L HA -0.163 4.178 4.340 0.001 0.000 0.213 262 L C 2.893 179.688 176.870 -0.126 0.000 1.079 262 L CA 1.158 55.940 54.840 -0.096 0.000 0.758 262 L CB -0.892 41.099 42.059 -0.114 0.000 0.891 262 L HN 0.206 nan 8.230 nan 0.000 0.433 263 V N -0.819 119.045 119.914 -0.083 0.000 2.233 263 V HA -0.265 3.855 4.120 0.001 0.000 0.247 263 V C 2.366 178.438 176.094 -0.036 0.000 1.050 263 V CA 1.902 64.171 62.300 -0.052 0.000 1.010 263 V CB -0.687 31.145 31.823 0.015 0.000 0.637 263 V HN 0.283 nan 8.190 nan 0.000 0.444 264 V N 0.725 120.618 119.914 -0.034 0.000 2.688 264 V HA -0.230 3.891 4.120 0.001 0.000 0.256 264 V C 2.167 178.247 176.094 -0.022 0.000 1.084 264 V CA 1.934 64.217 62.300 -0.028 0.000 1.103 264 V CB -1.152 30.653 31.823 -0.030 0.000 0.688 264 V HN 0.578 nan 8.190 nan 0.000 0.480 265 N N 0.414 119.094 118.700 -0.034 0.000 2.207 265 N HA -0.085 4.655 4.740 0.001 0.000 0.182 265 N C 1.912 177.415 175.510 -0.012 0.000 1.020 265 N CA 1.859 54.893 53.050 -0.027 0.000 0.858 265 N CB -0.105 38.357 38.487 -0.042 0.000 0.991 265 N HN 0.486 nan 8.380 nan 0.000 0.427 266 T N 1.472 116.013 114.554 -0.022 0.000 2.978 266 T HA 0.095 4.445 4.350 0.001 0.000 0.262 266 T C 1.939 176.695 174.700 0.092 0.000 1.063 266 T CA 0.211 62.341 62.100 0.050 0.000 1.140 266 T CB 0.124 69.023 68.868 0.051 0.000 0.886 266 T HN 0.125 nan 8.240 nan 0.000 0.470 267 M N 0.704 120.343 119.600 0.065 0.000 2.195 267 M HA -0.137 4.343 4.480 0.001 0.000 0.260 267 M C 2.357 178.678 176.300 0.036 0.000 1.066 267 M CA 1.552 56.886 55.300 0.056 0.000 1.089 267 M CB -0.030 32.583 32.600 0.023 0.000 1.377 267 M HN 0.027 nan 8.290 nan 0.000 0.411 268 R N -0.661 119.854 120.500 0.024 0.000 2.140 268 R HA 0.059 4.400 4.340 0.001 0.000 0.213 268 R C 1.010 177.325 176.300 0.025 0.000 1.059 268 R CA 1.352 57.462 56.100 0.017 0.000 1.000 268 R CB 0.194 30.498 30.300 0.007 0.000 0.910 268 R HN 0.509 nan 8.270 nan 0.000 0.455 269 G N -0.293 108.529 108.800 0.037 0.000 2.135 269 G HA2 -0.152 3.808 3.960 0.001 0.000 0.183 269 G HA3 -0.152 3.808 3.960 0.001 0.000 0.183 269 G C 0.508 175.429 174.900 0.034 0.000 1.004 269 G CA 0.186 45.312 45.100 0.043 0.000 0.677 269 G HN 0.147 nan 8.290 nan 0.000 0.512 270 I N -0.113 120.472 120.570 0.025 0.000 2.193 270 I HA 0.083 4.253 4.170 0.001 0.000 0.240 270 I C 1.556 177.688 176.117 0.025 0.000 1.084 270 I CA 2.272 63.583 61.300 0.018 0.000 1.365 270 I CB -1.340 36.664 38.000 0.006 0.000 1.064 270 I HN 0.558 nan 8.210 nan 0.000 0.410 271 V N -1.922 118.009 119.914 0.028 0.000 3.114 271 V HA 0.499 4.619 4.120 0.001 0.000 0.308 271 V C -0.483 175.649 176.094 0.063 0.000 1.168 271 V CA -1.254 61.071 62.300 0.040 0.000 1.015 271 V CB 2.516 34.350 31.823 0.018 0.000 1.050 271 V HN 0.042 nan 8.190 nan 0.000 0.433 272 K N 1.853 122.315 120.400 0.104 0.000 2.334 272 K HA 0.721 5.041 4.320 0.001 0.000 0.265 272 K C -0.992 175.706 176.600 0.164 0.000 1.039 272 K CA -0.446 55.958 56.287 0.194 0.000 0.920 272 K CB 1.506 34.142 32.500 0.228 0.000 1.160 272 K HN 0.939 nan 8.250 nan 0.000 0.451 273 V N 0.308 120.194 119.914 -0.045 0.000 2.577 273 V HA 0.825 4.946 4.120 0.001 0.000 0.303 273 V C -0.604 175.184 176.094 -0.511 0.000 1.042 273 V CA -1.066 61.138 62.300 -0.161 0.000 0.872 273 V CB 1.522 33.259 31.823 -0.144 0.000 0.998 273 V HN 0.660 nan 8.190 nan 0.000 0.423 274 A N 3.501 126.288 122.820 -0.055 0.000 2.325 274 A HA 1.035 5.356 4.320 0.001 0.000 0.333 274 A C 0.094 177.711 177.584 0.056 0.000 1.155 274 A CA -0.288 51.804 52.037 0.091 0.000 0.814 274 A CB 1.706 20.970 19.000 0.441 0.000 1.206 274 A HN 2.349 nan 8.150 nan 0.000 0.482 275 A N 1.151 124.023 122.820 0.086 0.000 2.357 275 A HA 0.666 4.987 4.320 0.001 0.000 0.295 275 A C -0.607 177.060 177.584 0.138 0.000 1.121 275 A CA -0.236 51.852 52.037 0.085 0.000 0.742 275 A CB 0.824 19.845 19.000 0.035 0.000 1.181 275 A HN 2.127 nan 8.150 nan 0.000 0.454 276 V N 0.126 120.123 119.914 0.139 0.000 2.841 276 V HA 0.593 4.714 4.120 0.001 0.000 0.310 276 V C -0.192 175.989 176.094 0.144 0.000 1.090 276 V CA -1.232 61.159 62.300 0.151 0.000 0.930 276 V CB 1.316 33.244 31.823 0.175 0.000 1.014 276 V HN 0.847 nan 8.190 nan 0.000 0.425 277 K N 1.809 122.287 120.400 0.130 0.000 2.188 277 K HA 0.590 4.910 4.320 0.001 0.000 0.246 277 K C 0.449 177.126 176.600 0.128 0.000 1.026 277 K CA 0.361 56.714 56.287 0.109 0.000 0.871 277 K CB 0.477 33.034 32.500 0.095 0.000 1.042 277 K HN 1.106 nan 8.250 nan 0.000 0.509 278 A N 2.312 125.168 122.820 0.059 0.000 2.327 278 A HA 0.301 4.622 4.320 0.001 0.000 0.283 278 A C -2.211 175.352 177.584 -0.035 0.000 1.127 278 A CA -1.508 50.517 52.037 -0.020 0.000 0.810 278 A CB -0.026 18.943 19.000 -0.053 0.000 1.066 278 A HN 0.404 nan 8.150 nan 0.000 0.492 279 P HA 0.415 nan 4.420 nan 0.000 0.275 279 P C 0.521 177.678 177.300 -0.238 0.000 1.276 279 P CA 1.355 64.372 63.100 -0.139 0.000 0.782 279 P CB 0.415 31.897 31.700 -0.364 0.000 0.851 280 G N 2.952 111.573 108.800 -0.299 0.000 2.396 280 G HA2 0.201 4.162 3.960 0.001 0.000 0.254 280 G HA3 0.201 4.162 3.960 0.001 0.000 0.254 280 G C -1.513 173.080 174.900 -0.512 0.000 1.248 280 G CA -0.668 43.983 45.100 -0.748 0.000 1.033 280 G HN 0.479 nan 8.290 nan 0.000 0.502 281 F N -2.036 117.927 119.950 0.023 0.000 2.672 281 F HA 0.725 5.252 4.527 0.001 0.000 0.311 281 F C 0.867 176.682 175.800 0.024 0.000 1.113 281 F CA 0.035 58.049 58.000 0.023 0.000 0.996 281 F CB 0.857 39.874 39.000 0.029 0.000 1.286 281 F HN 2.396 nan 8.300 nan 0.000 0.441 282 G N 1.756 110.685 108.800 0.215 0.000 2.566 282 G HA2 -0.309 3.652 3.960 0.001 0.000 0.280 282 G HA3 -0.309 3.652 3.960 0.001 0.000 0.280 282 G C 0.248 175.192 174.900 0.074 0.000 1.225 282 G CA 0.727 45.911 45.100 0.140 0.000 0.966 282 G HN 0.805 nan 8.290 nan 0.000 0.560 283 D N 0.048 120.489 120.400 0.068 0.000 2.269 283 D HA 0.021 4.661 4.640 0.001 0.000 0.208 283 D C 2.412 178.711 176.300 -0.001 0.000 0.963 283 D CA 0.815 54.833 54.000 0.029 0.000 0.864 283 D CB -0.118 40.702 40.800 0.034 0.000 0.936 283 D HN 0.420 nan 8.370 nan 0.000 0.505 284 R N 0.396 120.897 120.500 0.001 0.000 2.092 284 R HA -0.056 4.284 4.340 0.001 0.000 0.231 284 R C 2.215 178.434 176.300 -0.134 0.000 1.119 284 R CA 0.777 56.835 56.100 -0.071 0.000 0.970 284 R CB 0.106 30.352 30.300 -0.089 0.000 0.864 284 R HN 0.078 nan 8.270 nan 0.000 0.440 285 R N 1.218 121.640 120.500 -0.132 0.000 2.082 285 R HA -0.184 4.157 4.340 0.001 0.000 0.234 285 R C 1.731 177.963 176.300 -0.113 0.000 1.136 285 R CA 2.155 58.168 56.100 -0.145 0.000 0.935 285 R CB -0.085 30.160 30.300 -0.091 0.000 0.842 285 R HN 0.115 nan 8.270 nan 0.000 0.430 286 K N 0.219 120.577 120.400 -0.071 0.000 2.147 286 K HA -0.065 4.256 4.320 0.001 0.000 0.205 286 K C 2.154 178.714 176.600 -0.068 0.000 1.049 286 K CA 1.302 57.553 56.287 -0.060 0.000 0.936 286 K CB -0.195 32.284 32.500 -0.035 0.000 0.722 286 K HN 0.276 nan 8.250 nan 0.000 0.446 287 A N 1.718 124.496 122.820 -0.071 0.000 1.851 287 A HA -0.167 4.153 4.320 0.001 0.000 0.216 287 A C 2.224 179.751 177.584 -0.095 0.000 1.195 287 A CA 1.594 53.587 52.037 -0.073 0.000 0.622 287 A CB -0.482 18.475 19.000 -0.071 0.000 0.831 287 A HN 0.164 nan 8.150 nan 0.000 0.444 288 M N -1.422 118.102 119.600 -0.127 0.000 2.175 288 M HA -0.099 4.382 4.480 0.001 0.000 0.264 288 M C 2.201 178.395 176.300 -0.176 0.000 1.063 288 M CA 1.142 56.347 55.300 -0.158 0.000 1.119 288 M CB -0.505 31.972 32.600 -0.204 0.000 1.377 288 M HN 0.452 nan 8.290 nan 0.000 0.415 289 L N 0.733 121.858 121.223 -0.164 0.000 2.083 289 L HA -0.220 4.120 4.340 0.001 0.000 0.209 289 L C 2.457 179.262 176.870 -0.109 0.000 1.083 289 L CA 1.894 56.641 54.840 -0.154 0.000 0.752 289 L CB -0.759 41.230 42.059 -0.117 0.000 0.899 289 L HN 0.260 nan 8.230 nan 0.000 0.433 290 Q N -0.201 119.548 119.800 -0.085 0.000 2.084 290 Q HA -0.222 4.118 4.340 0.001 0.000 0.202 290 Q C 1.748 177.712 176.000 -0.060 0.000 0.978 290 Q CA 2.147 57.914 55.803 -0.061 0.000 0.844 290 Q CB -0.427 28.281 28.738 -0.050 0.000 0.898 290 Q HN 0.540 nan 8.270 nan 0.000 0.426 291 D N -0.204 120.152 120.400 -0.074 0.000 2.133 291 D HA -0.174 4.466 4.640 0.001 0.000 0.195 291 D C 1.754 178.018 176.300 -0.060 0.000 0.997 291 D CA 1.566 55.527 54.000 -0.066 0.000 0.840 291 D CB -0.216 40.538 40.800 -0.078 0.000 0.947 291 D HN 0.404 nan 8.370 nan 0.000 0.452 292 I N 0.687 121.207 120.570 -0.083 0.000 2.315 292 I HA -0.220 3.951 4.170 0.001 0.000 0.248 292 I C 2.403 178.501 176.117 -0.031 0.000 1.117 292 I CA 0.938 62.198 61.300 -0.067 0.000 1.404 292 I CB -0.219 37.711 38.000 -0.118 0.000 1.071 292 I HN -0.056 nan 8.210 nan 0.000 0.419 293 A N 0.537 123.337 122.820 -0.032 0.000 1.902 293 A HA -0.211 4.110 4.320 0.001 0.000 0.217 293 A C 2.409 179.990 177.584 -0.006 0.000 1.181 293 A CA 2.500 54.530 52.037 -0.013 0.000 0.623 293 A CB -1.166 17.824 19.000 -0.016 0.000 0.818 293 A HN 0.409 nan 8.150 nan 0.000 0.443 294 T N 0.063 114.609 114.554 -0.014 0.000 2.708 294 T HA -0.148 4.202 4.350 0.001 0.000 0.266 294 T C 1.766 176.464 174.700 -0.004 0.000 1.037 294 T CA 1.525 63.619 62.100 -0.009 0.000 1.146 294 T CB -0.374 68.485 68.868 -0.015 0.000 0.865 294 T HN 0.312 nan 8.240 nan 0.000 0.435 295 L N 1.853 123.074 121.223 -0.004 0.000 2.362 295 L HA 0.021 4.362 4.340 0.001 0.000 0.219 295 L C 2.167 179.042 176.870 0.009 0.000 1.134 295 L CA 1.626 56.468 54.840 0.002 0.000 0.807 295 L CB -0.647 41.415 42.059 0.005 0.000 0.927 295 L HN 0.442 nan 8.230 nan 0.000 0.447 296 T N -5.301 109.260 114.554 0.012 0.000 3.010 296 T HA 0.377 4.728 4.350 0.001 0.000 0.257 296 T C 1.261 175.976 174.700 0.025 0.000 1.020 296 T CA 0.184 62.296 62.100 0.020 0.000 0.938 296 T CB 0.129 69.016 68.868 0.032 0.000 1.049 296 T HN 0.440 nan 8.240 nan 0.000 0.522 297 G N 0.741 109.553 108.800 0.020 0.000 2.225 297 G HA2 0.114 4.074 3.960 0.001 0.000 0.264 297 G HA3 0.114 4.074 3.960 0.001 0.000 0.264 297 G C 0.268 175.190 174.900 0.037 0.000 1.060 297 G CA -0.179 44.936 45.100 0.025 0.000 0.833 297 G HN 1.050 nan 8.290 nan 0.000 0.498 298 G N -1.614 107.206 108.800 0.033 0.000 2.644 298 G HA2 0.802 4.763 3.960 0.001 0.000 0.307 298 G HA3 0.802 4.763 3.960 0.001 0.000 0.307 298 G C -0.431 174.480 174.900 0.019 0.000 1.250 298 G CA 0.092 45.214 45.100 0.037 0.000 0.996 298 G HN 0.593 nan 8.290 nan 0.000 0.489 299 T N 0.381 114.944 114.554 0.015 0.000 2.824 299 T HA 0.417 4.767 4.350 0.001 0.000 0.280 299 T C 0.181 174.880 174.700 -0.001 0.000 0.995 299 T CA -0.288 61.814 62.100 0.004 0.000 1.009 299 T CB 1.669 70.539 68.868 0.002 0.000 0.955 299 T HN 0.359 nan 8.240 nan 0.000 0.452 300 V N 4.267 124.176 119.914 -0.008 0.000 2.485 300 V HA 0.116 4.236 4.120 0.001 0.000 0.287 300 V C 0.398 176.486 176.094 -0.010 0.000 1.022 300 V CA -0.244 62.048 62.300 -0.013 0.000 1.067 300 V CB -0.301 31.510 31.823 -0.021 0.000 0.967 300 V HN 0.730 nan 8.190 nan 0.000 0.479 301 I N 4.878 125.443 120.570 -0.009 0.000 2.243 301 I HA 0.097 4.268 4.170 0.001 0.000 0.297 301 I C 0.836 176.948 176.117 -0.009 0.000 1.161 301 I CA 0.965 62.260 61.300 -0.009 0.000 1.298 301 I CB 0.705 38.700 38.000 -0.008 0.000 1.475 301 I HN 0.621 nan 8.210 nan 0.000 0.561 302 S N 4.401 120.095 115.700 -0.009 0.000 2.430 302 S HA 0.176 4.646 4.470 0.001 0.000 0.289 302 S C 1.264 175.860 174.600 -0.007 0.000 1.143 302 S CA -0.511 57.683 58.200 -0.009 0.000 1.067 302 S CB 0.539 63.732 63.200 -0.010 0.000 0.964 302 S HN 0.691 nan 8.310 nan 0.000 0.485 303 E N 3.314 123.511 120.200 -0.005 0.000 2.153 303 E HA -0.165 4.186 4.350 0.001 0.000 0.194 303 E C 1.298 177.897 176.600 -0.003 0.000 0.988 303 E CA 1.253 57.651 56.400 -0.004 0.000 0.811 303 E CB 0.133 29.832 29.700 -0.002 0.000 0.746 303 E HN 0.839 nan 8.360 nan 0.000 0.466 304 E N 0.416 120.614 120.200 -0.003 0.000 2.077 304 E HA -0.164 4.187 4.350 0.001 0.000 0.193 304 E C 1.620 178.219 176.600 -0.003 0.000 0.989 304 E CA 1.215 57.614 56.400 -0.002 0.000 0.800 304 E CB -0.285 29.414 29.700 -0.002 0.000 0.746 304 E HN 0.436 nan 8.360 nan 0.000 0.452 305 I N -2.008 118.560 120.570 -0.004 0.000 3.585 305 I HA 0.413 4.584 4.170 0.001 0.000 0.325 305 I C 0.452 176.567 176.117 -0.004 0.000 1.370 305 I CA -0.235 61.063 61.300 -0.004 0.000 1.298 305 I CB -0.325 37.672 38.000 -0.005 0.000 1.387 305 I HN 0.051 nan 8.210 nan 0.000 0.466 306 G N 2.679 111.477 108.800 -0.004 0.000 2.333 306 G HA2 -0.240 3.721 3.960 0.001 0.000 0.296 306 G HA3 -0.240 3.721 3.960 0.001 0.000 0.296 306 G C -0.343 174.554 174.900 -0.005 0.000 1.059 306 G CA 0.088 45.186 45.100 -0.004 0.000 1.050 306 G HN 0.578 nan 8.290 nan 0.000 0.508 307 M N -0.410 119.186 119.600 -0.005 0.000 2.386 307 M HA 0.377 4.857 4.480 0.001 0.000 0.293 307 M C -0.249 176.047 176.300 -0.007 0.000 1.120 307 M CA -0.621 54.675 55.300 -0.006 0.000 0.909 307 M CB 2.336 34.931 32.600 -0.007 0.000 1.661 307 M HN 0.267 nan 8.290 nan 0.000 0.452 308 E N 1.430 121.626 120.200 -0.008 0.000 2.242 308 E HA 0.213 4.564 4.350 0.001 0.000 0.275 308 E C 0.219 176.813 176.600 -0.010 0.000 1.002 308 E CA -0.573 55.823 56.400 -0.008 0.000 0.841 308 E CB 2.142 31.837 29.700 -0.008 0.000 1.109 308 E HN 0.493 nan 8.360 nan 0.000 0.394 309 L N 2.633 123.850 121.223 -0.010 0.000 2.201 309 L HA -0.138 4.203 4.340 0.001 0.000 0.212 309 L C 1.484 178.344 176.870 -0.016 0.000 1.105 309 L CA 1.816 56.648 54.840 -0.012 0.000 0.775 309 L CB -0.210 41.843 42.059 -0.009 0.000 0.913 309 L HN 0.576 nan 8.230 nan 0.000 0.440 310 E N -0.364 119.827 120.200 -0.015 0.000 2.230 310 E HA -0.174 4.177 4.350 0.001 0.000 0.192 310 E C 1.479 178.067 176.600 -0.020 0.000 0.987 310 E CA 0.797 57.187 56.400 -0.018 0.000 0.841 310 E CB -0.131 29.561 29.700 -0.015 0.000 0.783 310 E HN 0.584 nan 8.360 nan 0.000 0.481 311 K N 1.282 121.671 120.400 -0.018 0.000 2.505 311 K HA 0.268 4.588 4.320 0.001 0.000 0.192 311 K C 0.508 177.095 176.600 -0.022 0.000 1.025 311 K CA 0.032 56.309 56.287 -0.018 0.000 1.086 311 K CB 0.335 32.827 32.500 -0.014 0.000 0.840 311 K HN -0.072 nan 8.250 nan 0.000 0.514 312 A N 1.535 124.339 122.820 -0.026 0.000 2.340 312 A HA 0.378 4.698 4.320 0.001 0.000 0.268 312 A C 0.217 177.774 177.584 -0.045 0.000 1.100 312 A CA -0.245 51.773 52.037 -0.032 0.000 0.803 312 A CB 0.486 19.468 19.000 -0.031 0.000 1.043 312 A HN 0.499 nan 8.150 nan 0.000 0.488 313 T N -0.923 113.600 114.554 -0.051 0.000 2.773 313 T HA 0.509 4.860 4.350 0.001 0.000 0.278 313 T C 1.025 175.664 174.700 -0.103 0.000 1.011 313 T CA -0.689 61.368 62.100 -0.071 0.000 1.014 313 T CB 0.419 69.256 68.868 -0.052 0.000 1.293 313 T HN 0.311 nan 8.240 nan 0.000 0.554 314 L N 0.238 121.373 121.223 -0.146 0.000 2.189 314 L HA -0.109 4.231 4.340 0.001 0.000 0.214 314 L C 2.855 179.671 176.870 -0.089 0.000 1.097 314 L CA 1.789 56.495 54.840 -0.225 0.000 0.764 314 L CB -0.626 41.285 42.059 -0.246 0.000 0.900 314 L HN 0.864 nan 8.230 nan 0.000 0.436 315 E N 0.826 121.002 120.200 -0.040 0.000 2.086 315 E HA -0.267 4.084 4.350 0.001 0.000 0.200 315 E C 1.465 178.073 176.600 0.013 0.000 1.012 315 E CA 2.013 58.413 56.400 0.001 0.000 0.812 315 E CB -0.045 29.652 29.700 -0.005 0.000 0.743 315 E HN 0.479 nan 8.360 nan 0.000 0.453 316 D N -0.176 120.221 120.400 -0.004 0.000 2.349 316 D HA -0.002 4.639 4.640 0.001 0.000 0.224 316 D C 0.160 176.475 176.300 0.024 0.000 1.029 316 D CA 0.174 54.178 54.000 0.006 0.000 0.879 316 D CB 0.144 40.940 40.800 -0.007 0.000 0.906 316 D HN 0.264 nan 8.370 nan 0.000 0.528 317 L N 1.293 122.538 121.223 0.036 0.000 2.349 317 L HA 0.309 4.649 4.340 0.001 0.000 0.275 317 L C 1.349 178.321 176.870 0.170 0.000 1.115 317 L CA -0.593 54.306 54.840 0.098 0.000 0.820 317 L CB 1.280 43.387 42.059 0.081 0.000 1.135 317 L HN -0.112 nan 8.230 nan 0.000 0.445 318 G N 2.366 111.251 108.800 0.143 0.000 2.599 318 G HA2 0.411 4.371 3.960 0.001 0.000 0.264 318 G HA3 0.411 4.371 3.960 0.001 0.000 0.264 318 G C -0.774 174.208 174.900 0.137 0.000 1.200 318 G CA -0.269 44.900 45.100 0.115 0.000 0.896 318 G HN 0.629 nan 8.290 nan 0.000 0.536 319 Q N -1.347 118.485 119.800 0.052 0.000 2.340 319 Q HA 0.577 4.917 4.340 0.001 0.000 0.276 319 Q C -0.832 175.148 176.000 -0.034 0.000 1.048 319 Q CA -0.739 55.042 55.803 -0.037 0.000 0.832 319 Q CB 2.531 31.202 28.738 -0.112 0.000 1.373 319 Q HN 0.833 nan 8.270 nan 0.000 0.409 320 A N 1.170 123.958 122.820 -0.053 0.000 2.479 320 A HA 0.448 4.769 4.320 0.001 0.000 0.296 320 A C -0.030 177.526 177.584 -0.047 0.000 1.121 320 A CA -0.573 51.446 52.037 -0.029 0.000 0.743 320 A CB 1.686 20.687 19.000 0.003 0.000 1.323 320 A HN 0.788 nan 8.150 nan 0.000 0.415 321 K N -0.485 119.896 120.400 -0.030 0.000 2.057 321 K HA 0.032 4.352 4.320 0.001 0.000 0.206 321 K C 0.543 177.127 176.600 -0.027 0.000 1.050 321 K CA 1.267 57.535 56.287 -0.032 0.000 0.935 321 K CB 0.050 32.537 32.500 -0.021 0.000 0.715 321 K HN 0.614 nan 8.250 nan 0.000 0.439 322 R N -0.993 119.498 120.500 -0.015 0.000 2.692 322 R HA 0.353 4.693 4.340 0.001 0.000 0.269 322 R C -1.981 174.321 176.300 0.003 0.000 1.030 322 R CA -0.743 55.351 56.100 -0.009 0.000 0.882 322 R CB 2.465 32.758 30.300 -0.011 0.000 1.250 322 R HN -0.113 nan 8.270 nan 0.000 0.465 323 V N 2.157 122.075 119.914 0.007 0.000 2.760 323 V HA 0.531 4.652 4.120 0.001 0.000 0.309 323 V C -1.050 175.046 176.094 0.003 0.000 1.077 323 V CA -0.764 61.547 62.300 0.018 0.000 0.910 323 V CB 2.204 34.055 31.823 0.047 0.000 1.008 323 V HN 0.439 nan 8.190 nan 0.000 0.424 324 V N 6.039 125.948 119.914 -0.008 0.000 2.443 324 V HA 0.586 4.707 4.120 0.001 0.000 0.293 324 V C -0.669 175.404 176.094 -0.035 0.000 1.021 324 V CA -0.305 61.982 62.300 -0.022 0.000 0.848 324 V CB 1.696 33.501 31.823 -0.030 0.000 0.998 324 V HN 0.728 nan 8.190 nan 0.000 0.424 325 I N 5.398 125.965 120.570 -0.005 0.000 2.447 325 I HA 0.527 4.698 4.170 0.001 0.000 0.287 325 I C -0.174 175.978 176.117 0.059 0.000 1.023 325 I CA -0.384 60.920 61.300 0.007 0.000 1.083 325 I CB 1.967 40.026 38.000 0.098 0.000 1.245 325 I HN 0.796 nan 8.210 nan 0.000 0.434 326 N N 4.490 123.151 118.700 -0.064 0.000 2.906 326 N HA 0.348 5.088 4.740 0.001 0.000 0.327 326 N C 0.582 175.760 175.510 -0.553 0.000 1.344 326 N CA -1.043 51.944 53.050 -0.106 0.000 0.823 326 N CB 0.636 39.079 38.487 -0.072 0.000 1.351 326 N HN 0.457 nan 8.380 nan 0.000 0.604 327 K N -1.248 118.779 120.400 -0.623 0.000 2.286 327 K HA -0.176 4.144 4.320 0.001 0.000 0.203 327 K C -0.323 176.006 176.600 -0.452 0.000 1.045 327 K CA 1.746 57.578 56.287 -0.759 0.000 0.935 327 K CB -0.129 32.187 32.500 -0.307 0.000 0.737 327 K HN 0.571 nan 8.250 nan 0.000 0.460 328 D N -0.691 119.526 120.400 -0.305 0.000 2.461 328 D HA 0.016 4.656 4.640 0.001 0.000 0.266 328 D C 0.165 176.350 176.300 -0.191 0.000 1.085 328 D CA 0.635 54.517 54.000 -0.196 0.000 0.887 328 D CB 0.999 41.722 40.800 -0.128 0.000 1.309 328 D HN 0.275 nan 8.370 nan 0.000 0.498 329 T N -0.916 113.506 114.554 -0.220 0.000 2.909 329 T HA 0.604 4.955 4.350 0.001 0.000 0.299 329 T C -0.429 174.070 174.700 -0.335 0.000 1.073 329 T CA -0.620 61.321 62.100 -0.265 0.000 0.999 329 T CB 2.495 71.248 68.868 -0.193 0.000 1.098 329 T HN -0.316 nan 8.240 nan 0.000 0.477 330 T N 2.299 116.503 114.554 -0.584 0.000 2.829 330 T HA 0.684 5.034 4.350 0.001 0.000 0.280 330 T C -0.566 173.828 174.700 -0.510 0.000 0.999 330 T CA -0.558 61.193 62.100 -0.582 0.000 0.983 330 T CB 1.546 69.933 68.868 -0.801 0.000 0.968 330 T HN 0.799 nan 8.240 nan 0.000 0.446 331 T N 3.166 117.594 114.554 -0.209 0.000 2.848 331 T HA 0.558 4.908 4.350 0.001 0.000 0.285 331 T C -0.320 174.382 174.700 0.004 0.000 0.995 331 T CA -0.492 61.559 62.100 -0.081 0.000 0.970 331 T CB 0.798 69.627 68.868 -0.064 0.000 0.976 331 T HN 0.407 nan 8.240 nan 0.000 0.441 332 I N 3.613 124.220 120.570 0.062 0.000 2.330 332 I HA 0.395 4.565 4.170 0.001 0.000 0.289 332 I C -0.309 175.831 176.117 0.039 0.000 1.001 332 I CA -0.596 60.744 61.300 0.066 0.000 1.193 332 I CB 0.972 39.035 38.000 0.105 0.000 1.345 332 I HN 0.524 nan 8.210 nan 0.000 0.461 333 I N 6.336 126.918 120.570 0.021 0.000 2.291 333 I HA 0.178 4.349 4.170 0.001 0.000 0.292 333 I C -0.247 175.875 176.117 0.007 0.000 1.064 333 I CA -0.159 61.147 61.300 0.010 0.000 1.269 333 I CB 0.295 38.295 38.000 0.001 0.000 1.418 333 I HN 0.583 nan 8.210 nan 0.000 0.485 334 D N 5.128 125.533 120.400 0.009 0.000 3.908 334 D HA -0.118 4.523 4.640 0.001 0.000 0.237 334 D C 0.201 176.502 176.300 0.001 0.000 1.091 334 D CA 0.950 54.952 54.000 0.003 0.000 1.147 334 D CB -0.152 40.647 40.800 -0.003 0.000 0.857 334 D HN 0.754 nan 8.370 nan 0.000 0.410 335 G N 0.931 109.734 108.800 0.006 0.000 2.562 335 G HA2 0.417 4.377 3.960 0.001 0.000 0.275 335 G HA3 0.417 4.377 3.960 0.001 0.000 0.275 335 G C 1.475 176.373 174.900 -0.002 0.000 1.196 335 G CA -0.168 44.934 45.100 0.004 0.000 0.908 335 G HN 0.338 nan 8.290 nan 0.000 0.524 336 V N 1.554 121.465 119.914 -0.005 0.000 2.233 336 V HA 0.020 4.140 4.120 0.001 0.000 0.247 336 V C 2.135 178.229 176.094 0.000 0.000 1.050 336 V CA 1.961 64.257 62.300 -0.005 0.000 1.010 336 V CB -1.471 30.350 31.823 -0.004 0.000 0.637 336 V HN 1.500 nan 8.190 nan 0.000 0.444 337 G N 1.714 110.516 108.800 0.004 0.000 2.561 337 G HA2 -0.245 3.716 3.960 0.001 0.000 0.214 337 G HA3 -0.245 3.716 3.960 0.001 0.000 0.214 337 G C -0.387 174.514 174.900 0.002 0.000 0.124 337 G CA 0.126 45.228 45.100 0.004 0.000 1.129 337 G HN 0.648 nan 8.290 nan 0.000 0.532 338 E N 1.996 122.198 120.200 0.003 0.000 2.585 338 E HA 0.182 4.532 4.350 0.001 0.000 0.252 338 E C 1.214 177.814 176.600 -0.000 0.000 0.981 338 E CA 0.240 56.641 56.400 0.002 0.000 0.943 338 E CB 0.749 30.450 29.700 0.002 0.000 0.923 338 E HN 0.639 nan 8.360 nan 0.000 0.486 339 E N 3.756 123.956 120.200 -0.001 0.000 2.065 339 E HA -0.281 4.070 4.350 0.001 0.000 0.201 339 E C 1.774 178.372 176.600 -0.002 0.000 1.016 339 E CA 2.034 58.433 56.400 -0.002 0.000 0.818 339 E CB -0.268 29.431 29.700 -0.002 0.000 0.749 339 E HN 0.603 nan 8.360 nan 0.000 0.453 340 A N 0.405 123.224 122.820 -0.002 0.000 1.933 340 A HA -0.045 4.276 4.320 0.001 0.000 0.218 340 A C 2.397 179.979 177.584 -0.004 0.000 1.175 340 A CA 2.189 54.224 52.037 -0.003 0.000 0.628 340 A CB -0.874 18.125 19.000 -0.002 0.000 0.814 340 A HN 0.360 nan 8.150 nan 0.000 0.444 341 A N -0.161 122.657 122.820 -0.003 0.000 1.969 341 A HA -0.016 4.305 4.320 0.001 0.000 0.218 341 A C 2.073 179.653 177.584 -0.006 0.000 1.169 341 A CA 1.354 53.389 52.037 -0.004 0.000 0.635 341 A CB -0.544 18.455 19.000 -0.003 0.000 0.810 341 A HN 0.506 nan 8.150 nan 0.000 0.445 342 I N -0.660 119.907 120.570 -0.006 0.000 2.090 342 I HA -0.321 3.849 4.170 0.001 0.000 0.236 342 I C 2.684 178.796 176.117 -0.008 0.000 1.064 342 I CA 1.779 63.075 61.300 -0.007 0.000 1.324 342 I CB -0.487 37.511 38.000 -0.005 0.000 1.044 342 I HN 0.357 nan 8.210 nan 0.000 0.399 343 Q N 0.539 120.335 119.800 -0.007 0.000 2.291 343 Q HA -0.072 4.268 4.340 0.001 0.000 0.205 343 Q C 2.233 178.228 176.000 -0.008 0.000 0.970 343 Q CA 1.221 57.020 55.803 -0.008 0.000 0.876 343 Q CB -0.296 28.438 28.738 -0.006 0.000 0.935 343 Q HN 0.645 nan 8.270 nan 0.000 0.455 344 G N 0.784 109.579 108.800 -0.008 0.000 2.404 344 G HA2 -0.238 3.723 3.960 0.001 0.000 0.215 344 G HA3 -0.238 3.723 3.960 0.001 0.000 0.215 344 G C 1.462 176.355 174.900 -0.011 0.000 1.174 344 G CA 0.146 45.241 45.100 -0.009 0.000 0.780 344 G HN 0.102 nan 8.290 nan 0.000 0.537 345 R N 0.209 120.702 120.500 -0.012 0.000 2.148 345 R HA 0.006 4.346 4.340 0.001 0.000 0.227 345 R C 2.550 178.839 176.300 -0.018 0.000 1.103 345 R CA 0.833 56.924 56.100 -0.016 0.000 0.983 345 R CB -0.372 29.917 30.300 -0.018 0.000 0.874 345 R HN 0.338 nan 8.270 nan 0.000 0.451 346 V N 0.471 120.375 119.914 -0.016 0.000 2.283 346 V HA -0.146 3.974 4.120 0.001 0.000 0.243 346 V C 2.372 178.456 176.094 -0.016 0.000 1.039 346 V CA 1.782 64.072 62.300 -0.017 0.000 1.016 346 V CB -0.710 31.105 31.823 -0.014 0.000 0.650 346 V HN 0.369 nan 8.190 nan 0.000 0.449 347 A N -1.036 121.776 122.820 -0.013 0.000 2.178 347 A HA -0.249 4.071 4.320 0.001 0.000 0.218 347 A C 2.165 179.741 177.584 -0.013 0.000 1.157 347 A CA 1.827 53.857 52.037 -0.012 0.000 0.689 347 A CB -0.425 18.569 19.000 -0.010 0.000 0.787 347 A HN 0.640 nan 8.150 nan 0.000 0.465 348 Q N -0.371 119.420 119.800 -0.015 0.000 2.061 348 Q HA 0.001 4.342 4.340 0.001 0.000 0.195 348 Q C 1.861 177.849 176.000 -0.020 0.000 0.967 348 Q CA 1.037 56.830 55.803 -0.016 0.000 0.829 348 Q CB -0.125 28.603 28.738 -0.017 0.000 0.900 348 Q HN 0.676 nan 8.270 nan 0.000 0.450 349 I N 0.562 121.117 120.570 -0.024 0.000 2.493 349 I HA -0.225 3.945 4.170 0.001 0.000 0.254 349 I C 2.633 178.733 176.117 -0.029 0.000 1.160 349 I CA 0.749 62.031 61.300 -0.030 0.000 1.445 349 I CB -0.297 37.682 38.000 -0.035 0.000 1.086 349 I HN 0.199 nan 8.210 nan 0.000 0.433 350 R N 0.812 121.298 120.500 -0.023 0.000 2.120 350 R HA -0.201 4.139 4.340 0.001 0.000 0.234 350 R C 2.298 178.586 176.300 -0.019 0.000 1.123 350 R CA 1.302 57.390 56.100 -0.020 0.000 0.975 350 R CB -0.097 30.193 30.300 -0.016 0.000 0.866 350 R HN 0.396 nan 8.270 nan 0.000 0.446 351 Q N 0.111 119.901 119.800 -0.017 0.000 2.424 351 Q HA -0.079 4.261 4.340 0.001 0.000 0.204 351 Q C 1.223 177.213 176.000 -0.017 0.000 0.933 351 Q CA 0.794 56.588 55.803 -0.015 0.000 0.929 351 Q CB 0.384 29.115 28.738 -0.012 0.000 1.037 351 Q HN 0.457 nan 8.270 nan 0.000 0.511 352 Q N 0.139 119.926 119.800 -0.022 0.000 2.230 352 Q HA -0.011 4.329 4.340 0.001 0.000 0.202 352 Q C 1.986 177.968 176.000 -0.029 0.000 0.963 352 Q CA 1.142 56.929 55.803 -0.026 0.000 0.866 352 Q CB 0.105 28.823 28.738 -0.033 0.000 0.931 352 Q HN 0.451 nan 8.270 nan 0.000 0.452 353 I N 0.371 120.923 120.570 -0.029 0.000 2.439 353 I HA -0.182 3.988 4.170 0.001 0.000 0.251 353 I C 2.083 178.189 176.117 -0.019 0.000 1.139 353 I CA 0.655 61.938 61.300 -0.029 0.000 1.438 353 I CB -0.234 37.748 38.000 -0.030 0.000 1.085 353 I HN 0.103 nan 8.210 nan 0.000 0.427 354 E N 1.730 121.921 120.200 -0.015 0.000 2.058 354 E HA -0.226 4.124 4.350 0.001 0.000 0.194 354 E C 1.606 178.202 176.600 -0.006 0.000 0.997 354 E CA 1.574 57.969 56.400 -0.009 0.000 0.801 354 E CB -0.150 29.545 29.700 -0.008 0.000 0.746 354 E HN 0.697 nan 8.360 nan 0.000 0.450 355 E N 0.138 120.333 120.200 -0.008 0.000 2.451 355 E HA 0.337 4.687 4.350 0.001 0.000 0.194 355 E C -0.069 176.528 176.600 -0.005 0.000 1.027 355 E CA -0.197 56.200 56.400 -0.005 0.000 0.914 355 E CB 0.387 30.084 29.700 -0.005 0.000 1.054 355 E HN -0.046 nan 8.360 nan 0.000 0.461 356 A N 1.862 124.677 122.820 -0.009 0.000 2.484 356 A HA 0.120 4.440 4.320 0.001 0.000 0.268 356 A C 1.112 178.697 177.584 0.003 0.000 1.114 356 A CA -0.060 51.971 52.037 -0.011 0.000 0.780 356 A CB -0.105 18.881 19.000 -0.024 0.000 1.061 356 A HN 0.309 nan 8.150 nan 0.000 0.505 357 T N 0.151 114.711 114.554 0.010 0.000 3.380 357 T HA 0.329 4.679 4.350 0.001 0.000 0.250 357 T C 0.677 175.395 174.700 0.030 0.000 1.082 357 T CA 0.389 62.501 62.100 0.019 0.000 0.968 357 T CB -1.062 67.818 68.868 0.020 0.000 1.027 357 T HN 1.193 nan 8.240 nan 0.000 0.575 358 S N -0.558 115.162 115.700 0.033 0.000 3.319 358 S HA 0.348 4.819 4.470 0.001 0.000 0.310 358 S C -0.585 174.044 174.600 0.049 0.000 1.223 358 S CA -0.597 57.633 58.200 0.049 0.000 1.189 358 S CB 0.530 63.776 63.200 0.076 0.000 1.514 358 S HN 0.030 nan 8.310 nan 0.000 0.554 359 D N -0.688 119.757 120.400 0.076 0.000 2.514 359 D HA 0.184 4.825 4.640 0.001 0.000 0.249 359 D C 1.422 177.784 176.300 0.103 0.000 1.036 359 D CA 0.494 54.539 54.000 0.076 0.000 0.911 359 D CB -0.079 40.769 40.800 0.080 0.000 1.145 359 D HN 0.451 nan 8.370 nan 0.000 0.495 360 Y N 2.473 122.785 120.300 0.020 0.000 2.242 360 Y HA -0.093 4.458 4.550 0.001 0.000 0.291 360 Y C 1.380 177.295 175.900 0.024 0.000 1.137 360 Y CA 1.343 59.458 58.100 0.025 0.000 1.181 360 Y CB -0.039 38.438 38.460 0.029 0.000 0.989 360 Y HN -0.206 nan 8.280 nan 0.000 0.527 361 D N -0.102 120.224 120.400 -0.123 0.000 2.378 361 D HA -0.063 4.577 4.640 0.001 0.000 0.227 361 D C 1.761 177.977 176.300 -0.141 0.000 1.012 361 D CA 0.658 54.546 54.000 -0.187 0.000 0.905 361 D CB 0.026 40.793 40.800 -0.055 0.000 0.895 361 D HN 0.483 nan 8.370 nan 0.000 0.532 362 R N -0.022 120.417 120.500 -0.101 0.000 2.164 362 R HA 0.062 4.402 4.340 0.001 0.000 0.198 362 R C 1.892 178.146 176.300 -0.076 0.000 1.028 362 R CA 0.131 56.191 56.100 -0.066 0.000 1.083 362 R CB 0.465 30.751 30.300 -0.023 0.000 1.026 362 R HN 0.038 nan 8.270 nan 0.000 0.514 363 E N 1.507 121.663 120.200 -0.073 0.000 2.005 363 E HA -0.253 4.098 4.350 0.001 0.000 0.198 363 E C 1.759 178.312 176.600 -0.078 0.000 1.010 363 E CA 2.043 58.417 56.400 -0.045 0.000 0.825 363 E CB -0.062 29.654 29.700 0.027 0.000 0.769 363 E HN 0.264 nan 8.360 nan 0.000 0.456 364 K N 0.840 121.145 120.400 -0.159 0.000 2.211 364 K HA -0.146 4.174 4.320 0.001 0.000 0.204 364 K C 2.019 178.546 176.600 -0.121 0.000 1.047 364 K CA 1.127 57.326 56.287 -0.147 0.000 0.935 364 K CB -0.117 32.231 32.500 -0.253 0.000 0.728 364 K HN 0.026 nan 8.250 nan 0.000 0.452 365 L N 2.342 123.488 121.223 -0.129 0.000 2.005 365 L HA -0.161 4.180 4.340 0.001 0.000 0.207 365 L C 2.919 179.750 176.870 -0.065 0.000 1.072 365 L CA 2.117 56.900 54.840 -0.094 0.000 0.744 365 L CB -1.351 40.655 42.059 -0.089 0.000 0.895 365 L HN 0.567 nan 8.230 nan 0.000 0.433 366 Q N -0.526 119.241 119.800 -0.055 0.000 2.291 366 Q HA -0.201 4.140 4.340 0.001 0.000 0.205 366 Q C 1.565 177.546 176.000 -0.032 0.000 0.970 366 Q CA 1.161 56.941 55.803 -0.039 0.000 0.876 366 Q CB -0.263 28.454 28.738 -0.034 0.000 0.935 366 Q HN 0.534 nan 8.270 nan 0.000 0.455 367 E N 1.202 121.381 120.200 -0.035 0.000 2.051 367 E HA -0.147 4.204 4.350 0.001 0.000 0.192 367 E C 2.143 178.729 176.600 -0.024 0.000 0.991 367 E CA 1.206 57.592 56.400 -0.023 0.000 0.799 367 E CB 0.059 29.748 29.700 -0.019 0.000 0.748 367 E HN 0.362 nan 8.360 nan 0.000 0.449 368 R N 0.255 120.731 120.500 -0.039 0.000 2.115 368 R HA -0.109 4.232 4.340 0.001 0.000 0.230 368 R C 2.634 178.916 176.300 -0.031 0.000 1.111 368 R CA 1.206 57.281 56.100 -0.041 0.000 0.976 368 R CB -0.382 29.882 30.300 -0.060 0.000 0.870 368 R HN 0.205 nan 8.270 nan 0.000 0.445 369 V N -1.498 118.397 119.914 -0.030 0.000 2.427 369 V HA -0.083 4.037 4.120 0.001 0.000 0.248 369 V C 2.085 178.170 176.094 -0.016 0.000 1.051 369 V CA 1.850 64.136 62.300 -0.024 0.000 1.048 369 V CB -0.636 31.172 31.823 -0.024 0.000 0.666 369 V HN 0.246 nan 8.190 nan 0.000 0.456 370 A N 0.353 123.165 122.820 -0.014 0.000 1.929 370 A HA -0.078 4.243 4.320 0.001 0.000 0.216 370 A C 2.280 179.864 177.584 -0.000 0.000 1.176 370 A CA 1.733 53.766 52.037 -0.007 0.000 0.628 370 A CB -0.527 18.469 19.000 -0.006 0.000 0.816 370 A HN 0.613 nan 8.150 nan 0.000 0.444 371 K N -0.525 119.876 120.400 0.001 0.000 2.097 371 K HA -0.017 4.304 4.320 0.001 0.000 0.206 371 K C 1.625 178.231 176.600 0.009 0.000 1.049 371 K CA 1.334 57.629 56.287 0.013 0.000 0.933 371 K CB -0.250 32.260 32.500 0.016 0.000 0.717 371 K HN 0.463 nan 8.250 nan 0.000 0.442 372 L N -0.413 120.809 121.223 -0.002 0.000 2.298 372 L HA 0.059 4.399 4.340 0.001 0.000 0.209 372 L C 1.866 178.734 176.870 -0.003 0.000 1.084 372 L CA 0.209 55.047 54.840 -0.004 0.000 0.816 372 L CB -0.165 41.886 42.059 -0.013 0.000 0.967 372 L HN 0.121 nan 8.230 nan 0.000 0.460 373 A N 0.164 122.981 122.820 -0.005 0.000 3.988 373 A HA 0.431 4.751 4.320 0.001 0.000 0.172 373 A C 1.698 179.281 177.584 -0.002 0.000 1.739 373 A CA 0.569 52.603 52.037 -0.004 0.000 1.323 373 A CB -1.388 17.608 19.000 -0.007 0.000 1.178 373 A HN 0.217 nan 8.150 nan 0.000 0.402 374 G N -1.228 107.569 108.800 -0.004 0.000 2.529 374 G HA2 0.367 4.327 3.960 0.001 0.000 0.167 374 G HA3 0.367 4.327 3.960 0.001 0.000 0.167 374 G C 0.593 175.493 174.900 0.000 0.000 1.615 374 G CA 1.032 46.131 45.100 -0.002 0.000 0.885 374 G HN 1.556 nan 8.290 nan 0.000 0.394 375 G N -2.970 105.830 108.800 0.000 0.000 2.721 375 G HA2 0.505 4.465 3.960 0.001 0.000 0.296 375 G HA3 0.505 4.465 3.960 0.001 0.000 0.296 375 G C -2.070 172.832 174.900 0.003 0.000 1.383 375 G CA -0.238 44.864 45.100 0.003 0.000 0.788 375 G HN 0.718 nan 8.290 nan 0.000 0.500 376 V N 0.002 119.920 119.914 0.006 0.000 2.604 376 V HA 0.799 4.919 4.120 0.001 0.000 0.305 376 V C 0.039 176.136 176.094 0.005 0.000 1.043 376 V CA -0.274 62.029 62.300 0.006 0.000 0.888 376 V CB 1.429 33.259 31.823 0.012 0.000 0.995 376 V HN 1.330 nan 8.190 nan 0.000 0.429 377 A N 4.531 127.354 122.820 0.004 0.000 2.374 377 A HA 0.922 5.243 4.320 0.001 0.000 0.317 377 A C -1.235 176.353 177.584 0.006 0.000 1.094 377 A CA -0.566 51.474 52.037 0.004 0.000 0.765 377 A CB 1.975 20.976 19.000 0.003 0.000 1.268 377 A HN 0.666 nan 8.150 nan 0.000 0.438 378 V N 2.806 122.723 119.914 0.006 0.000 2.487 378 V HA 0.396 4.516 4.120 0.001 0.000 0.298 378 V C -0.415 175.683 176.094 0.008 0.000 1.028 378 V CA -0.228 62.077 62.300 0.008 0.000 0.860 378 V CB 1.525 33.351 31.823 0.006 0.000 0.991 378 V HN 0.757 nan 8.190 nan 0.000 0.427 379 I N 4.681 125.258 120.570 0.011 0.000 2.315 379 I HA 0.374 4.545 4.170 0.001 0.000 0.291 379 I C 0.159 176.283 176.117 0.011 0.000 1.006 379 I CA -0.375 60.932 61.300 0.011 0.000 1.265 379 I CB 1.138 39.147 38.000 0.015 0.000 1.387 379 I HN 0.511 nan 8.210 nan 0.000 0.475 380 K N 5.878 126.282 120.400 0.008 0.000 2.240 380 K HA 0.490 4.810 4.320 0.001 0.000 0.271 380 K C -0.938 175.666 176.600 0.007 0.000 1.018 380 K CA -0.618 55.673 56.287 0.007 0.000 0.874 380 K CB 1.950 34.452 32.500 0.004 0.000 1.098 380 K HN 0.307 nan 8.250 nan 0.000 0.458 381 V N 2.245 122.164 119.914 0.008 0.000 2.465 381 V HA 0.368 4.488 4.120 0.001 0.000 0.279 381 V C 0.692 176.789 176.094 0.005 0.000 1.045 381 V CA -0.853 61.452 62.300 0.008 0.000 0.938 381 V CB 1.347 33.176 31.823 0.010 0.000 0.986 381 V HN 0.898 nan 8.190 nan 0.000 0.467 382 G N 2.687 111.489 108.800 0.004 0.000 2.389 382 G HA2 0.785 4.746 3.960 0.001 0.000 0.328 382 G HA3 0.785 4.746 3.960 0.001 0.000 0.328 382 G C -0.560 174.342 174.900 0.002 0.000 1.133 382 G CA -0.011 45.091 45.100 0.003 0.000 0.891 382 G HN 1.244 nan 8.290 nan 0.000 0.485 383 A N 0.165 122.986 122.820 0.002 0.000 2.610 383 A HA 0.795 5.116 4.320 0.001 0.000 0.291 383 A C 0.725 178.309 177.584 0.001 0.000 1.086 383 A CA 0.297 52.335 52.037 0.001 0.000 0.677 383 A CB 0.843 19.844 19.000 0.002 0.000 1.278 383 A HN 1.711 nan 8.150 nan 0.000 0.414 384 A N 0.070 122.890 122.820 0.000 0.000 1.872 384 A HA 0.340 4.661 4.320 0.001 0.000 0.214 384 A C 1.547 179.131 177.584 0.000 0.000 1.187 384 A CA 2.543 54.580 52.037 -0.000 0.000 0.614 384 A CB -0.883 18.117 19.000 -0.001 0.000 0.826 384 A HN 1.771 nan 8.150 nan 0.000 0.442 385 T N -4.287 110.267 114.554 0.000 0.000 2.849 385 T HA 0.498 4.849 4.350 0.001 0.000 0.272 385 T C 0.734 175.435 174.700 0.002 0.000 1.046 385 T CA 0.209 62.310 62.100 0.001 0.000 0.983 385 T CB 1.173 70.041 68.868 -0.000 0.000 1.721 385 T HN 0.197 nan 8.240 nan 0.000 0.594 386 E N -0.517 119.685 120.200 0.002 0.000 2.364 386 E HA 0.100 4.451 4.350 0.001 0.000 0.203 386 E C 2.176 178.779 176.600 0.004 0.000 0.888 386 E CA 0.387 56.789 56.400 0.004 0.000 0.989 386 E CB 0.409 30.112 29.700 0.005 0.000 0.985 386 E HN 0.517 nan 8.360 nan 0.000 0.499 387 V N -0.361 119.555 119.914 0.002 0.000 2.515 387 V HA -0.170 3.951 4.120 0.001 0.000 0.250 387 V C 2.061 178.156 176.094 0.002 0.000 1.058 387 V CA 2.003 64.304 62.300 0.002 0.000 1.064 387 V CB -0.529 31.293 31.823 -0.001 0.000 0.675 387 V HN 0.157 nan 8.190 nan 0.000 0.461 388 E N 0.029 120.230 120.200 0.001 0.000 2.046 388 E HA -0.224 4.126 4.350 0.001 0.000 0.190 388 E C 2.126 178.727 176.600 0.003 0.000 0.982 388 E CA 1.446 57.847 56.400 0.001 0.000 0.800 388 E CB -0.219 29.482 29.700 0.000 0.000 0.756 388 E HN 0.508 nan 8.360 nan 0.000 0.449 389 M N 1.276 120.878 119.600 0.004 0.000 2.106 389 M HA -0.212 4.268 4.480 0.001 0.000 0.259 389 M C 1.767 178.070 176.300 0.006 0.000 1.068 389 M CA 1.780 57.083 55.300 0.005 0.000 1.100 389 M CB -0.049 32.555 32.600 0.006 0.000 1.351 389 M HN -0.079 nan 8.290 nan 0.000 0.404 390 K N -0.528 119.876 120.400 0.006 0.000 2.025 390 K HA -0.205 4.116 4.320 0.001 0.000 0.207 390 K C 1.979 178.582 176.600 0.005 0.000 1.049 390 K CA 1.867 58.158 56.287 0.008 0.000 0.933 390 K CB -0.343 32.163 32.500 0.009 0.000 0.714 390 K HN 0.563 nan 8.250 nan 0.000 0.438 391 E N 1.648 121.850 120.200 0.003 0.000 2.106 391 E HA -0.210 4.140 4.350 0.001 0.000 0.192 391 E C 1.899 178.500 176.600 0.002 0.000 0.984 391 E CA 1.572 57.973 56.400 0.001 0.000 0.806 391 E CB 0.008 29.708 29.700 0.000 0.000 0.750 391 E HN 0.051 nan 8.360 nan 0.000 0.458 392 K N 0.948 121.350 120.400 0.003 0.000 2.001 392 K HA -0.112 4.209 4.320 0.001 0.000 0.208 392 K C 2.192 178.796 176.600 0.007 0.000 1.048 392 K CA 1.770 58.060 56.287 0.004 0.000 0.932 392 K CB -0.189 32.314 32.500 0.004 0.000 0.715 392 K HN 0.094 nan 8.250 nan 0.000 0.437 393 K N -0.260 120.145 120.400 0.008 0.000 2.103 393 K HA -0.155 4.165 4.320 0.001 0.000 0.207 393 K C 1.898 178.505 176.600 0.012 0.000 1.048 393 K CA 1.401 57.696 56.287 0.012 0.000 0.930 393 K CB -0.255 32.252 32.500 0.013 0.000 0.716 393 K HN 0.270 nan 8.250 nan 0.000 0.444 394 A N 1.000 123.823 122.820 0.005 0.000 1.972 394 A HA -0.147 4.173 4.320 0.001 0.000 0.219 394 A C 2.051 179.632 177.584 -0.006 0.000 1.169 394 A CA 1.315 53.349 52.037 -0.004 0.000 0.635 394 A CB -0.329 18.667 19.000 -0.007 0.000 0.810 394 A HN 0.296 nan 8.150 nan 0.000 0.446 395 R N -0.915 119.585 120.500 0.001 0.000 2.075 395 R HA -0.004 4.337 4.340 0.001 0.000 0.226 395 R C 2.027 178.335 176.300 0.013 0.000 1.114 395 R CA 1.213 57.314 56.100 0.003 0.000 0.972 395 R CB -0.308 29.994 30.300 0.003 0.000 0.869 395 R HN 0.378 nan 8.270 nan 0.000 0.437 396 V N 1.460 121.385 119.914 0.019 0.000 2.407 396 V HA -0.226 3.895 4.120 0.001 0.000 0.248 396 V C 2.166 178.291 176.094 0.051 0.000 1.055 396 V CA 1.663 63.981 62.300 0.030 0.000 1.049 396 V CB -0.423 31.416 31.823 0.026 0.000 0.662 396 V HN 0.299 nan 8.190 nan 0.000 0.455 397 E N 0.131 120.361 120.200 0.050 0.000 2.085 397 E HA -0.256 4.095 4.350 0.001 0.000 0.194 397 E C 1.983 178.640 176.600 0.095 0.000 0.994 397 E CA 1.742 58.194 56.400 0.085 0.000 0.801 397 E CB -0.278 29.445 29.700 0.039 0.000 0.743 397 E HN 0.648 nan 8.360 nan 0.000 0.453 398 D N 0.302 120.706 120.400 0.007 0.000 2.084 398 D HA -0.121 4.519 4.640 0.001 0.000 0.194 398 D C 1.876 178.214 176.300 0.063 0.000 0.990 398 D CA 1.795 55.784 54.000 -0.019 0.000 0.826 398 D CB -0.174 40.611 40.800 -0.025 0.000 0.971 398 D HN 0.167 nan 8.370 nan 0.000 0.453 399 A N 0.682 123.536 122.820 0.057 0.000 1.908 399 A HA -0.160 4.160 4.320 0.001 0.000 0.218 399 A C 2.154 179.790 177.584 0.086 0.000 1.181 399 A CA 0.900 52.973 52.037 0.060 0.000 0.627 399 A CB -0.847 18.176 19.000 0.039 0.000 0.818 399 A HN 0.316 nan 8.150 nan 0.000 0.445 400 L N -0.864 120.423 121.223 0.107 0.000 2.081 400 L HA -0.247 4.093 4.340 0.001 0.000 0.212 400 L C 2.345 179.272 176.870 0.096 0.000 1.080 400 L CA 2.613 57.510 54.840 0.096 0.000 0.754 400 L CB -1.025 41.097 42.059 0.105 0.000 0.893 400 L HN 0.548 nan 8.230 nan 0.000 0.433 401 H N -0.808 118.273 119.070 0.017 0.000 2.363 401 H HA 0.032 4.588 4.556 0.001 0.000 0.301 401 H C 2.174 177.515 175.328 0.020 0.000 1.074 401 H CA 1.427 57.487 56.048 0.021 0.000 1.354 401 H CB -0.116 29.661 29.762 0.024 0.000 1.397 401 H HN 0.406 nan 8.280 nan 0.000 0.516 402 A N 0.191 123.105 122.820 0.156 0.000 1.930 402 A HA -0.180 4.141 4.320 0.001 0.000 0.217 402 A C 2.448 180.066 177.584 0.057 0.000 1.175 402 A CA 2.028 54.120 52.037 0.091 0.000 0.627 402 A CB -1.009 18.032 19.000 0.067 0.000 0.815 402 A HN 0.606 nan 8.150 nan 0.000 0.443 403 T N -2.106 112.477 114.554 0.047 0.000 2.777 403 T HA -0.135 4.216 4.350 0.001 0.000 0.266 403 T C 1.930 176.640 174.700 0.017 0.000 1.040 403 T CA 1.080 63.196 62.100 0.027 0.000 1.141 403 T CB -0.399 68.481 68.868 0.021 0.000 0.868 403 T HN 0.437 nan 8.240 nan 0.000 0.444 404 R N 1.300 121.805 120.500 0.008 0.000 2.152 404 R HA 0.109 4.450 4.340 0.001 0.000 0.232 404 R C 2.790 179.092 176.300 0.002 0.000 1.117 404 R CA 1.247 57.340 56.100 -0.012 0.000 0.981 404 R CB -0.688 29.579 30.300 -0.055 0.000 0.870 404 R HN 0.600 nan 8.270 nan 0.000 0.451 405 A N 0.925 123.759 122.820 0.022 0.000 1.898 405 A HA 0.054 4.374 4.320 0.001 0.000 0.214 405 A C 2.354 179.950 177.584 0.021 0.000 1.183 405 A CA 1.200 53.255 52.037 0.029 0.000 0.622 405 A CB -0.353 18.676 19.000 0.049 0.000 0.824 405 A HN 0.318 nan 8.150 nan 0.000 0.444 406 A N -0.349 122.483 122.820 0.020 0.000 1.877 406 A HA -0.034 4.287 4.320 0.001 0.000 0.216 406 A C 2.203 179.793 177.584 0.010 0.000 1.186 406 A CA 1.819 53.865 52.037 0.015 0.000 0.620 406 A CB -1.012 17.998 19.000 0.016 0.000 0.822 406 A HN 0.374 nan 8.150 nan 0.000 0.443 407 V N 1.174 121.092 119.914 0.007 0.000 2.332 407 V HA -0.288 3.832 4.120 0.001 0.000 0.248 407 V C 2.537 178.633 176.094 0.003 0.000 1.055 407 V CA 2.415 64.717 62.300 0.004 0.000 1.038 407 V CB -0.866 30.957 31.823 0.000 0.000 0.651 407 V HN 0.932 nan 8.190 nan 0.000 0.450 408 E N -0.398 119.804 120.200 0.004 0.000 2.385 408 E HA -0.086 4.265 4.350 0.001 0.000 0.194 408 E C 1.518 178.121 176.600 0.004 0.000 1.013 408 E CA 0.920 57.322 56.400 0.003 0.000 0.866 408 E CB 0.106 29.808 29.700 0.003 0.000 0.832 408 E HN 0.658 nan 8.360 nan 0.000 0.500 409 E N 0.098 120.301 120.200 0.006 0.000 2.801 409 E HA 0.202 4.552 4.350 0.001 0.000 0.212 409 E C -0.019 176.583 176.600 0.004 0.000 0.963 409 E CA 0.127 56.529 56.400 0.004 0.000 1.247 409 E CB 1.171 30.873 29.700 0.004 0.000 1.076 409 E HN 0.353 nan 8.360 nan 0.000 0.504 410 G N 0.734 109.538 108.800 0.006 0.000 2.796 410 G HA2 -0.239 3.721 3.960 0.001 0.000 0.226 410 G HA3 -0.239 3.721 3.960 0.001 0.000 0.226 410 G C -0.199 174.706 174.900 0.009 0.000 1.381 410 G CA -0.307 44.797 45.100 0.007 0.000 0.867 410 G HN 0.582 nan 8.290 nan 0.000 0.552 411 V N -2.602 117.318 119.914 0.009 0.000 3.074 411 V HA 0.992 5.112 4.120 0.001 0.000 0.314 411 V C 0.603 176.703 176.094 0.012 0.000 1.117 411 V CA 0.166 62.472 62.300 0.011 0.000 1.014 411 V CB 1.457 33.287 31.823 0.011 0.000 1.057 411 V HN 2.511 nan 8.190 nan 0.000 0.438 412 V N -1.348 118.574 119.914 0.013 0.000 3.181 412 V HA 0.991 5.112 4.120 0.001 0.000 0.308 412 V C 0.296 176.400 176.094 0.017 0.000 1.214 412 V CA -0.711 61.598 62.300 0.015 0.000 1.053 412 V CB 1.237 33.069 31.823 0.014 0.000 1.069 412 V HN 2.153 nan 8.190 nan 0.000 0.441 413 A N 1.227 124.060 122.820 0.022 0.000 2.522 413 A HA 0.631 4.952 4.320 0.001 0.000 0.256 413 A C 0.958 178.555 177.584 0.021 0.000 1.086 413 A CA 0.663 52.714 52.037 0.024 0.000 0.763 413 A CB -0.614 18.407 19.000 0.034 0.000 1.024 413 A HN 2.061 nan 8.150 nan 0.000 0.502 414 G N 1.060 109.870 108.800 0.016 0.000 2.525 414 G HA2 0.493 4.454 3.960 0.001 0.000 0.276 414 G HA3 0.493 4.454 3.960 0.001 0.000 0.276 414 G C 1.228 176.139 174.900 0.019 0.000 1.388 414 G CA 0.028 45.137 45.100 0.014 0.000 1.050 414 G HN 2.273 nan 8.290 nan 0.000 0.520 415 G N -2.295 106.517 108.800 0.019 0.000 2.155 415 G HA2 0.198 4.159 3.960 0.001 0.000 0.257 415 G HA3 0.198 4.159 3.960 0.001 0.000 0.257 415 G C 1.495 176.418 174.900 0.039 0.000 0.983 415 G CA 1.079 46.199 45.100 0.032 0.000 0.676 415 G HN 2.496 nan 8.290 nan 0.000 0.528 416 G N -1.915 106.903 108.800 0.030 0.000 2.258 416 G HA2 -0.065 3.895 3.960 0.001 0.000 0.274 416 G HA3 -0.065 3.895 3.960 0.001 0.000 0.274 416 G C 1.692 176.612 174.900 0.033 0.000 1.021 416 G CA 1.765 46.882 45.100 0.029 0.000 0.798 416 G HN 2.139 nan 8.290 nan 0.000 0.507 417 V N -0.866 119.070 119.914 0.037 0.000 2.407 417 V HA 0.259 4.379 4.120 0.001 0.000 0.245 417 V C 2.877 178.994 176.094 0.038 0.000 1.041 417 V CA 2.206 64.532 62.300 0.043 0.000 1.040 417 V CB -0.521 31.332 31.823 0.050 0.000 0.671 417 V HN 1.433 nan 8.190 nan 0.000 0.455 418 A N 0.603 123.442 122.820 0.031 0.000 1.881 418 A HA -0.271 4.050 4.320 0.001 0.000 0.219 418 A C 2.174 179.772 177.584 0.022 0.000 1.215 418 A CA 2.695 54.747 52.037 0.026 0.000 0.648 418 A CB -1.091 17.921 19.000 0.020 0.000 0.832 418 A HN 0.560 nan 8.150 nan 0.000 0.455 419 L N -0.981 120.254 121.223 0.020 0.000 2.012 419 L HA -0.143 4.197 4.340 0.001 0.000 0.210 419 L C 2.412 179.294 176.870 0.019 0.000 1.073 419 L CA 1.803 56.653 54.840 0.016 0.000 0.748 419 L CB -0.741 41.327 42.059 0.015 0.000 0.891 419 L HN 0.446 nan 8.230 nan 0.000 0.431 420 I N -1.433 119.152 120.570 0.025 0.000 2.423 420 I HA -0.286 3.885 4.170 0.001 0.000 0.254 420 I C 2.414 178.547 176.117 0.028 0.000 1.151 420 I CA 0.797 62.113 61.300 0.027 0.000 1.421 420 I CB -0.132 37.889 38.000 0.035 0.000 1.079 420 I HN 0.179 nan 8.210 nan 0.000 0.431 421 R N -0.163 120.355 120.500 0.031 0.000 2.062 421 R HA -0.044 4.297 4.340 0.001 0.000 0.226 421 R C 2.341 178.654 176.300 0.021 0.000 1.125 421 R CA 1.617 57.735 56.100 0.030 0.000 0.966 421 R CB -1.301 29.020 30.300 0.034 0.000 0.861 421 R HN 0.420 nan 8.270 nan 0.000 0.433 422 V N -0.502 119.422 119.914 0.017 0.000 2.515 422 V HA -0.045 4.075 4.120 0.001 0.000 0.250 422 V C 2.032 178.132 176.094 0.010 0.000 1.058 422 V CA 1.888 64.195 62.300 0.011 0.000 1.064 422 V CB -0.853 30.975 31.823 0.007 0.000 0.675 422 V HN 0.188 nan 8.190 nan 0.000 0.461 423 A N 1.429 124.256 122.820 0.012 0.000 1.978 423 A HA -0.171 4.150 4.320 0.001 0.000 0.220 423 A C 2.523 180.113 177.584 0.010 0.000 1.170 423 A CA 2.673 54.716 52.037 0.010 0.000 0.636 423 A CB -0.957 18.049 19.000 0.011 0.000 0.810 423 A HN 0.987 nan 8.150 nan 0.000 0.448 424 S N -0.395 115.312 115.700 0.012 0.000 2.425 424 S HA -0.015 4.456 4.470 0.001 0.000 0.225 424 S C 1.711 176.315 174.600 0.008 0.000 1.024 424 S CA 0.825 59.031 58.200 0.010 0.000 0.951 424 S CB -0.217 62.990 63.200 0.012 0.000 0.796 424 S HN 0.609 nan 8.310 nan 0.000 0.498 425 K N 1.327 121.732 120.400 0.009 0.000 2.147 425 K HA 0.081 4.401 4.320 0.001 0.000 0.205 425 K C 1.202 177.805 176.600 0.005 0.000 1.049 425 K CA 0.984 57.275 56.287 0.006 0.000 0.936 425 K CB -0.433 32.071 32.500 0.007 0.000 0.722 425 K HN 0.426 nan 8.250 nan 0.000 0.446 426 L N 0.251 121.477 121.223 0.005 0.000 2.685 426 L HA 0.190 4.530 4.340 0.001 0.000 0.233 426 L C 1.870 178.742 176.870 0.003 0.000 1.173 426 L CA -0.369 54.473 54.840 0.004 0.000 0.961 426 L CB -0.055 42.006 42.059 0.003 0.000 1.217 426 L HN 0.041 nan 8.230 nan 0.000 0.478 427 A N -0.094 122.728 122.820 0.004 0.000 2.076 427 A HA -0.185 4.136 4.320 0.001 0.000 0.220 427 A C 1.491 179.077 177.584 0.002 0.000 1.160 427 A CA 1.604 53.643 52.037 0.003 0.000 0.653 427 A CB -0.190 18.812 19.000 0.003 0.000 0.801 427 A HN 0.342 nan 8.150 nan 0.000 0.455 428 D N -1.250 119.151 120.400 0.002 0.000 2.402 428 D HA 0.211 4.851 4.640 0.001 0.000 0.216 428 D C -0.272 176.029 176.300 0.002 0.000 1.128 428 D CA -0.269 53.731 54.000 0.002 0.000 0.833 428 D CB 0.123 40.924 40.800 0.001 0.000 0.971 428 D HN 0.262 nan 8.370 nan 0.000 0.503 429 L N 1.758 122.982 121.223 0.002 0.000 2.410 429 L HA 0.168 4.509 4.340 0.001 0.000 0.273 429 L C 0.290 177.161 176.870 0.002 0.000 1.152 429 L CA 0.513 55.354 54.840 0.002 0.000 0.855 429 L CB 0.157 42.217 42.059 0.002 0.000 1.129 429 L HN -0.203 nan 8.230 nan 0.000 0.463 430 R N 2.779 123.281 120.500 0.002 0.000 2.867 430 R HA 0.711 5.051 4.340 0.001 0.000 0.268 430 R C -0.221 176.081 176.300 0.003 0.000 1.014 430 R CA -0.488 55.613 56.100 0.002 0.000 0.946 430 R CB 1.572 31.873 30.300 0.002 0.000 1.208 430 R HN 0.781 nan 8.270 nan 0.000 0.477 431 G N -0.351 108.451 108.800 0.003 0.000 2.971 431 G HA2 0.184 4.144 3.960 0.001 0.000 0.235 431 G HA3 0.184 4.144 3.960 0.001 0.000 0.235 431 G C 0.077 174.979 174.900 0.003 0.000 1.351 431 G CA -0.279 44.823 45.100 0.003 0.000 1.039 431 G HN 0.437 nan 8.290 nan 0.000 0.563 432 Q N -0.081 119.721 119.800 0.003 0.000 2.432 432 Q HA 0.110 4.450 4.340 0.001 0.000 0.205 432 Q C 0.476 176.478 176.000 0.003 0.000 0.945 432 Q CA 0.584 56.389 55.803 0.003 0.000 0.924 432 Q CB 0.062 28.803 28.738 0.004 0.000 1.016 432 Q HN 0.605 nan 8.270 nan 0.000 0.503 433 N N -1.702 117.000 118.700 0.003 0.000 3.179 433 N HA -0.032 4.709 4.740 0.001 0.000 0.250 433 N C 0.061 175.572 175.510 0.003 0.000 1.507 433 N CA -0.266 52.786 53.050 0.003 0.000 0.883 433 N CB 1.010 39.499 38.487 0.003 0.000 1.435 433 N HN -0.238 nan 8.380 nan 0.000 0.532 434 E N 0.287 120.489 120.200 0.003 0.000 2.110 434 E HA -0.121 4.230 4.350 0.001 0.000 0.193 434 E C 0.630 177.232 176.600 0.003 0.000 0.988 434 E CA 1.837 58.239 56.400 0.003 0.000 0.804 434 E CB -0.296 29.405 29.700 0.002 0.000 0.745 434 E HN 0.522 nan 8.360 nan 0.000 0.458 435 D N 0.164 120.567 120.400 0.004 0.000 2.117 435 D HA -0.158 4.482 4.640 0.001 0.000 0.197 435 D C 1.895 178.198 176.300 0.005 0.000 0.987 435 D CA 0.986 54.988 54.000 0.005 0.000 0.829 435 D CB -0.264 40.539 40.800 0.005 0.000 0.961 435 D HN 0.377 nan 8.370 nan 0.000 0.460 436 Q N 0.142 119.945 119.800 0.005 0.000 2.181 436 Q HA -0.127 4.213 4.340 0.001 0.000 0.205 436 Q C 1.729 177.732 176.000 0.005 0.000 0.980 436 Q CA 0.747 56.553 55.803 0.005 0.000 0.862 436 Q CB -0.047 28.694 28.738 0.005 0.000 0.905 436 Q HN 0.271 nan 8.270 nan 0.000 0.429 437 N N 0.147 118.850 118.700 0.004 0.000 2.080 437 N HA -0.117 4.623 4.740 0.001 0.000 0.189 437 N C 1.881 177.394 175.510 0.004 0.000 1.036 437 N CA 1.013 54.065 53.050 0.004 0.000 0.846 437 N CB -0.494 37.995 38.487 0.003 0.000 1.015 437 N HN 0.020 nan 8.380 nan 0.000 0.423 438 V N 0.901 120.818 119.914 0.004 0.000 2.469 438 V HA -0.176 3.944 4.120 0.001 0.000 0.251 438 V C 2.316 178.413 176.094 0.005 0.000 1.064 438 V CA 1.986 64.289 62.300 0.004 0.000 1.066 438 V CB -1.235 30.590 31.823 0.004 0.000 0.667 438 V HN 0.387 nan 8.190 nan 0.000 0.461 439 G N -0.344 108.459 108.800 0.006 0.000 2.408 439 G HA2 -0.179 3.781 3.960 0.001 0.000 0.217 439 G HA3 -0.179 3.781 3.960 0.001 0.000 0.217 439 G C 1.552 176.455 174.900 0.006 0.000 1.150 439 G CA 0.858 45.962 45.100 0.007 0.000 0.776 439 G HN 0.495 nan 8.290 nan 0.000 0.542 440 I N 0.094 120.668 120.570 0.005 0.000 2.133 440 I HA -0.077 4.093 4.170 0.001 0.000 0.238 440 I C 2.717 178.837 176.117 0.005 0.000 1.074 440 I CA 1.003 62.306 61.300 0.005 0.000 1.342 440 I CB -0.084 37.919 38.000 0.004 0.000 1.053 440 I HN -0.054 nan 8.210 nan 0.000 0.404 441 K N 0.594 120.996 120.400 0.005 0.000 2.113 441 K HA -0.143 4.177 4.320 0.001 0.000 0.208 441 K C 1.952 178.555 176.600 0.005 0.000 1.047 441 K CA 1.079 57.369 56.287 0.005 0.000 0.928 441 K CB -0.829 31.673 32.500 0.004 0.000 0.716 441 K HN 0.133 nan 8.250 nan 0.000 0.446 442 V N 0.506 120.423 119.914 0.006 0.000 2.287 442 V HA -0.302 3.818 4.120 0.001 0.000 0.248 442 V C 2.194 178.292 176.094 0.007 0.000 1.053 442 V CA 2.137 64.441 62.300 0.007 0.000 1.027 442 V CB -0.740 31.088 31.823 0.007 0.000 0.646 442 V HN 0.398 nan 8.190 nan 0.000 0.447 443 A N -0.484 122.340 122.820 0.007 0.000 1.898 443 A HA -0.121 4.200 4.320 0.001 0.000 0.216 443 A C 2.176 179.764 177.584 0.007 0.000 1.181 443 A CA 1.663 53.704 52.037 0.007 0.000 0.620 443 A CB -0.494 18.510 19.000 0.006 0.000 0.819 443 A HN 0.510 nan 8.150 nan 0.000 0.442 444 L N -1.276 119.951 121.223 0.006 0.000 2.012 444 L HA -0.195 4.145 4.340 0.001 0.000 0.210 444 L C 2.787 179.662 176.870 0.007 0.000 1.073 444 L CA 1.875 56.719 54.840 0.006 0.000 0.748 444 L CB -0.553 41.510 42.059 0.006 0.000 0.891 444 L HN 0.362 nan 8.230 nan 0.000 0.431 445 R N 0.001 120.505 120.500 0.007 0.000 2.159 445 R HA -0.149 4.191 4.340 0.001 0.000 0.237 445 R C 2.276 178.580 176.300 0.008 0.000 1.131 445 R CA 1.257 57.361 56.100 0.007 0.000 0.982 445 R CB -0.188 30.115 30.300 0.006 0.000 0.868 445 R HN 0.397 nan 8.270 nan 0.000 0.453 446 A N -0.131 122.694 122.820 0.009 0.000 2.016 446 A HA -0.087 4.233 4.320 0.001 0.000 0.217 446 A C 1.981 179.571 177.584 0.011 0.000 1.162 446 A CA 0.780 52.823 52.037 0.010 0.000 0.662 446 A CB -0.223 18.783 19.000 0.011 0.000 0.812 446 A HN 0.279 nan 8.150 nan 0.000 0.450 447 M N -0.548 119.058 119.600 0.010 0.000 2.374 447 M HA -0.127 4.353 4.480 0.001 0.000 0.264 447 M C 1.575 177.883 176.300 0.013 0.000 1.067 447 M CA 1.105 56.411 55.300 0.011 0.000 1.103 447 M CB -0.152 32.454 32.600 0.010 0.000 1.402 447 M HN 0.464 nan 8.290 nan 0.000 0.444 448 E N -0.258 119.949 120.200 0.013 0.000 2.418 448 E HA -0.081 4.269 4.350 0.001 0.000 0.197 448 E C 1.897 178.504 176.600 0.013 0.000 1.026 448 E CA 0.603 57.011 56.400 0.013 0.000 0.862 448 E CB 0.044 29.750 29.700 0.010 0.000 0.799 448 E HN 0.510 nan 8.360 nan 0.000 0.518 449 A N 1.930 124.758 122.820 0.012 0.000 1.898 449 A HA -0.066 4.255 4.320 0.001 0.000 0.216 449 A C -0.389 177.203 177.584 0.014 0.000 1.181 449 A CA 0.793 52.837 52.037 0.012 0.000 0.620 449 A CB -1.245 17.762 19.000 0.012 0.000 0.819 449 A HN 0.115 nan 8.150 nan 0.000 0.442 450 P HA -0.207 nan 4.420 nan 0.000 0.214 450 P C 1.835 179.148 177.300 0.022 0.000 1.163 450 P CA 0.968 64.080 63.100 0.019 0.000 0.889 450 P CB -0.164 31.549 31.700 0.021 0.000 0.790 451 L N -0.625 120.612 121.223 0.023 0.000 2.012 451 L HA -0.212 4.129 4.340 0.001 0.000 0.210 451 L C 2.318 179.198 176.870 0.016 0.000 1.073 451 L CA 2.063 56.920 54.840 0.028 0.000 0.748 451 L CB -0.531 41.546 42.059 0.030 0.000 0.891 451 L HN -0.091 nan 8.230 nan 0.000 0.431 452 R N -0.834 119.671 120.500 0.008 0.000 2.096 452 R HA -0.186 4.155 4.340 0.001 0.000 0.235 452 R C 2.344 178.645 176.300 0.001 0.000 1.127 452 R CA 1.347 57.447 56.100 -0.002 0.000 0.968 452 R CB -0.126 30.173 30.300 -0.001 0.000 0.861 452 R HN 0.429 nan 8.270 nan 0.000 0.440 453 Q N 0.346 120.151 119.800 0.008 0.000 2.096 453 Q HA -0.020 4.320 4.340 0.001 0.000 0.197 453 Q C 2.125 178.134 176.000 0.015 0.000 0.964 453 Q CA 1.250 57.059 55.803 0.010 0.000 0.838 453 Q CB -0.041 28.704 28.738 0.012 0.000 0.906 453 Q HN 0.367 nan 8.270 nan 0.000 0.444 454 I N -0.091 120.493 120.570 0.023 0.000 2.151 454 I HA -0.304 3.866 4.170 0.001 0.000 0.243 454 I C 2.202 178.345 176.117 0.043 0.000 1.080 454 I CA 1.087 62.408 61.300 0.036 0.000 1.339 454 I CB -0.324 37.706 38.000 0.049 0.000 1.039 454 I HN -0.019 nan 8.210 nan 0.000 0.409 455 V N 0.440 120.372 119.914 0.029 0.000 2.626 455 V HA -0.238 3.882 4.120 0.001 0.000 0.252 455 V C 2.211 178.306 176.094 0.001 0.000 1.067 455 V CA 1.502 63.806 62.300 0.006 0.000 1.081 455 V CB -0.316 31.459 31.823 -0.080 0.000 0.686 455 V HN 0.378 nan 8.190 nan 0.000 0.468 456 L N 0.123 121.347 121.223 0.001 0.000 2.162 456 L HA -0.005 4.336 4.340 0.001 0.000 0.205 456 L C 1.983 178.856 176.870 0.006 0.000 1.086 456 L CA 1.715 56.554 54.840 -0.001 0.000 0.778 456 L CB -0.630 41.428 42.059 -0.001 0.000 0.928 456 L HN 0.330 nan 8.230 nan 0.000 0.446 457 N N -1.576 117.131 118.700 0.012 0.000 2.519 457 N HA -0.176 4.564 4.740 0.001 0.000 0.186 457 N C 1.188 176.708 175.510 0.017 0.000 1.062 457 N CA 1.025 54.082 53.050 0.013 0.000 0.910 457 N CB -0.189 38.306 38.487 0.013 0.000 0.958 457 N HN 0.414 nan 8.380 nan 0.000 0.445 458 C N -0.219 119.096 119.300 0.025 0.000 2.697 458 C HA 0.291 4.752 4.460 0.001 0.000 0.267 458 C C 1.700 176.704 174.990 0.023 0.000 1.278 458 C CA -0.076 58.961 59.018 0.032 0.000 1.708 458 C CB -0.894 26.886 27.740 0.066 0.000 1.860 458 C HN 0.625 nan 8.230 nan 0.000 0.589 459 G N 1.463 110.271 108.800 0.013 0.000 2.143 459 G HA2 -0.215 3.745 3.960 0.001 0.000 0.248 459 G HA3 -0.215 3.745 3.960 0.001 0.000 0.248 459 G C -0.311 174.592 174.900 0.005 0.000 0.991 459 G CA 0.254 45.359 45.100 0.008 0.000 0.689 459 G HN 0.618 nan 8.290 nan 0.000 0.522 460 E N 0.154 120.355 120.200 0.001 0.000 2.249 460 E HA 0.441 4.791 4.350 0.001 0.000 0.263 460 E C -0.117 176.463 176.600 -0.034 0.000 0.950 460 E CA -0.906 55.485 56.400 -0.015 0.000 0.827 460 E CB 0.910 30.598 29.700 -0.020 0.000 1.220 460 E HN 0.344 nan 8.360 nan 0.000 0.411 461 E N 2.569 122.746 120.200 -0.040 0.000 2.292 461 E HA 0.001 4.351 4.350 0.001 0.000 0.265 461 E C -1.922 174.643 176.600 -0.058 0.000 1.093 461 E CA -1.200 55.178 56.400 -0.038 0.000 0.922 461 E CB 0.478 30.162 29.700 -0.027 0.000 1.001 461 E HN 0.285 nan 8.360 nan 0.000 0.444 462 P HA -0.111 nan 4.420 nan 0.000 0.219 462 P C 1.405 178.678 177.300 -0.046 0.000 1.154 462 P CA 0.823 63.892 63.100 -0.052 0.000 0.826 462 P CB 0.199 31.882 31.700 -0.029 0.000 0.795 463 S N -0.513 115.169 115.700 -0.030 0.000 2.383 463 S HA -0.086 4.385 4.470 0.001 0.000 0.227 463 S C 2.067 176.652 174.600 -0.024 0.000 1.026 463 S CA 1.075 59.262 58.200 -0.021 0.000 0.981 463 S CB -1.806 61.385 63.200 -0.014 0.000 0.818 463 S HN -0.069 nan 8.310 nan 0.000 0.472 464 V N 1.734 121.631 119.914 -0.028 0.000 2.358 464 V HA -0.124 3.997 4.120 0.001 0.000 0.246 464 V C 2.619 178.698 176.094 -0.025 0.000 1.047 464 V CA 1.490 63.777 62.300 -0.022 0.000 1.035 464 V CB -0.732 31.082 31.823 -0.014 0.000 0.658 464 V HN 0.418 nan 8.190 nan 0.000 0.452 465 V N 0.232 120.106 119.914 -0.066 0.000 2.255 465 V HA -0.291 3.830 4.120 0.001 0.000 0.247 465 V C 2.715 178.797 176.094 -0.020 0.000 1.051 465 V CA 2.196 64.448 62.300 -0.079 0.000 1.018 465 V CB -1.113 30.509 31.823 -0.334 0.000 0.641 465 V HN 0.569 nan 8.190 nan 0.000 0.445 466 A N 0.176 122.978 122.820 -0.029 0.000 1.883 466 A HA -0.283 4.037 4.320 0.001 0.000 0.217 466 A C 2.047 179.631 177.584 -0.000 0.000 1.186 466 A CA 2.287 54.322 52.037 -0.005 0.000 0.624 466 A CB -0.854 18.143 19.000 -0.006 0.000 0.822 466 A HN 0.588 nan 8.150 nan 0.000 0.444 467 N N -0.242 118.451 118.700 -0.010 0.000 2.060 467 N HA -0.168 4.572 4.740 0.001 0.000 0.195 467 N C 2.003 177.501 175.510 -0.020 0.000 1.028 467 N CA 2.497 55.540 53.050 -0.012 0.000 0.861 467 N CB -0.829 37.648 38.487 -0.016 0.000 1.029 467 N HN 0.720 nan 8.380 nan 0.000 0.428 468 T N -1.978 112.548 114.554 -0.047 0.000 2.951 468 T HA 0.030 4.380 4.350 0.001 0.000 0.268 468 T C 1.968 176.647 174.700 -0.035 0.000 1.073 468 T CA 0.766 62.804 62.100 -0.103 0.000 1.134 468 T CB -0.487 68.217 68.868 -0.274 0.000 0.884 468 T HN -0.061 nan 8.240 nan 0.000 0.479 469 V N 1.570 121.491 119.914 0.011 0.000 2.427 469 V HA -0.041 4.080 4.120 0.001 0.000 0.248 469 V C 2.694 178.865 176.094 0.129 0.000 1.051 469 V CA 1.638 63.998 62.300 0.100 0.000 1.048 469 V CB -0.499 31.374 31.823 0.083 0.000 0.666 469 V HN 0.519 nan 8.190 nan 0.000 0.456 470 K N 0.295 120.733 120.400 0.063 0.000 2.365 470 K HA -0.004 4.317 4.320 0.001 0.000 0.199 470 K C 2.059 178.678 176.600 0.033 0.000 1.045 470 K CA 0.950 57.264 56.287 0.046 0.000 0.962 470 K CB -0.310 32.205 32.500 0.024 0.000 0.759 470 K HN 0.549 nan 8.250 nan 0.000 0.469 471 G N 1.043 109.858 108.800 0.025 0.000 2.598 471 G HA2 -0.057 3.904 3.960 0.001 0.000 0.215 471 G HA3 -0.057 3.904 3.960 0.001 0.000 0.215 471 G C 0.715 175.594 174.900 -0.035 0.000 1.131 471 G CA 0.442 45.536 45.100 -0.011 0.000 0.785 471 G HN 0.332 nan 8.290 nan 0.000 0.539 472 G N -0.952 107.860 108.800 0.020 0.000 2.606 472 G HA2 0.534 4.495 3.960 0.001 0.000 0.262 472 G HA3 0.534 4.495 3.960 0.001 0.000 0.262 472 G C -1.047 173.849 174.900 -0.006 0.000 1.394 472 G CA -0.452 44.602 45.100 -0.077 0.000 1.044 472 G HN 0.124 nan 8.290 nan 0.000 0.553 473 D N -2.338 118.062 120.400 -0.000 0.000 2.626 473 D HA 0.481 5.121 4.640 0.001 0.000 0.278 473 D C 0.920 177.263 176.300 0.072 0.000 1.211 473 D CA 0.469 54.485 54.000 0.027 0.000 0.903 473 D CB 1.548 42.339 40.800 -0.015 0.000 1.408 473 D HN 0.851 nan 8.370 nan 0.000 0.454 474 G N 1.248 110.081 108.800 0.055 0.000 2.690 474 G HA2 -0.387 3.573 3.960 0.001 0.000 0.334 474 G HA3 -0.387 3.573 3.960 0.001 0.000 0.334 474 G C 0.365 175.318 174.900 0.088 0.000 1.250 474 G CA 0.824 45.960 45.100 0.060 0.000 0.994 474 G HN 0.655 nan 8.290 nan 0.000 0.549 475 N N -0.087 118.673 118.700 0.100 0.000 2.295 475 N HA 0.283 5.023 4.740 0.001 0.000 0.221 475 N C -0.146 175.456 175.510 0.154 0.000 1.129 475 N CA -0.261 52.849 53.050 0.102 0.000 0.836 475 N CB 0.314 38.843 38.487 0.071 0.000 1.040 475 N HN 0.454 nan 8.380 nan 0.000 0.494 476 Y N 1.264 121.591 120.300 0.045 0.000 2.377 476 Y HA 0.433 4.984 4.550 0.001 0.000 0.330 476 Y C 0.542 176.501 175.900 0.098 0.000 1.108 476 Y CA -0.007 58.132 58.100 0.066 0.000 1.308 476 Y CB 0.487 38.976 38.460 0.047 0.000 1.216 476 Y HN -0.022 nan 8.280 nan 0.000 0.518 477 G N 3.953 112.598 108.800 -0.260 0.000 2.749 477 G HA2 0.272 4.233 3.960 0.001 0.000 0.300 477 G HA3 0.272 4.233 3.960 0.001 0.000 0.300 477 G C -2.465 172.395 174.900 -0.068 0.000 1.352 477 G CA -0.874 44.146 45.100 -0.134 0.000 0.789 477 G HN 0.522 nan 8.290 nan 0.000 0.509 478 Y N 1.248 121.492 120.300 -0.093 0.000 2.342 478 Y HA 0.604 5.155 4.550 0.001 0.000 0.334 478 Y C -0.198 175.599 175.900 -0.171 0.000 1.067 478 Y CA -1.576 56.414 58.100 -0.184 0.000 1.128 478 Y CB 1.735 40.101 38.460 -0.156 0.000 1.200 478 Y HN 0.417 nan 8.280 nan 0.000 0.464 479 N N 4.490 122.765 118.700 -0.709 0.000 2.527 479 N HA 0.259 4.999 4.740 0.001 0.000 0.236 479 N C 0.234 175.248 175.510 -0.826 0.000 0.999 479 N CA 0.415 53.132 53.050 -0.555 0.000 0.935 479 N CB 1.305 39.576 38.487 -0.361 0.000 1.132 479 N HN 0.879 nan 8.380 nan 0.000 0.511 480 A N 3.768 126.289 122.820 -0.499 0.000 1.933 480 A HA -0.034 4.286 4.320 0.001 0.000 0.218 480 A C 2.089 179.541 177.584 -0.220 0.000 1.175 480 A CA 1.691 53.551 52.037 -0.295 0.000 0.628 480 A CB -0.647 18.350 19.000 -0.006 0.000 0.814 480 A HN 0.703 nan 8.150 nan 0.000 0.444 481 A N -0.247 122.460 122.820 -0.188 0.000 1.851 481 A HA -0.161 4.160 4.320 0.001 0.000 0.216 481 A C 2.396 179.887 177.584 -0.155 0.000 1.195 481 A CA 2.746 54.703 52.037 -0.133 0.000 0.622 481 A CB -1.266 17.670 19.000 -0.106 0.000 0.831 481 A HN 0.877 nan 8.150 nan 0.000 0.444 482 T N -4.382 110.042 114.554 -0.216 0.000 3.060 482 T HA 0.294 4.644 4.350 0.001 0.000 0.249 482 T C 0.381 174.942 174.700 -0.231 0.000 1.079 482 T CA 0.874 62.863 62.100 -0.185 0.000 1.013 482 T CB -0.128 68.644 68.868 -0.160 0.000 0.975 482 T HN 0.570 nan 8.240 nan 0.000 0.518 483 E N 1.148 121.119 120.200 -0.381 0.000 2.868 483 E HA -0.166 4.185 4.350 0.001 0.000 0.278 483 E C -0.230 176.151 176.600 -0.364 0.000 1.009 483 E CA 0.961 57.144 56.400 -0.360 0.000 0.856 483 E CB -1.294 28.349 29.700 -0.094 0.000 1.428 483 E HN 0.973 nan 8.360 nan 0.000 0.423 484 E N -0.839 119.056 120.200 -0.508 0.000 2.383 484 E HA 0.471 4.821 4.350 0.001 0.000 0.275 484 E C -0.768 175.591 176.600 -0.402 0.000 0.918 484 E CA -0.967 55.229 56.400 -0.341 0.000 0.764 484 E CB 0.969 30.602 29.700 -0.113 0.000 1.252 484 E HN 0.041 nan 8.360 nan 0.000 0.449 485 Y N 0.428 120.717 120.300 -0.019 0.000 2.300 485 Y HA 0.640 5.190 4.550 0.001 0.000 0.328 485 Y C 1.127 176.978 175.900 -0.083 0.000 1.270 485 Y CA 0.917 58.952 58.100 -0.108 0.000 1.352 485 Y CB 1.624 40.006 38.460 -0.130 0.000 1.286 485 Y HN 0.855 nan 8.280 nan 0.000 0.536 486 G N 0.422 109.222 108.800 -0.000 0.000 2.321 486 G HA2 0.020 3.981 3.960 0.001 0.000 0.296 486 G HA3 0.020 3.981 3.960 0.001 0.000 0.296 486 G C -1.963 172.999 174.900 0.103 0.000 1.287 486 G CA -1.179 43.987 45.100 0.109 0.000 0.846 486 G HN 0.558 nan 8.290 nan 0.000 0.508 487 N N 1.070 119.842 118.700 0.121 0.000 2.406 487 N HA 0.115 4.855 4.740 0.001 0.000 0.251 487 N C 1.683 177.220 175.510 0.046 0.000 1.069 487 N CA -0.547 52.567 53.050 0.106 0.000 0.947 487 N CB 0.804 39.349 38.487 0.096 0.000 1.111 487 N HN 0.395 nan 8.380 nan 0.000 0.497 488 M N 3.477 123.097 119.600 0.034 0.000 2.149 488 M HA -0.151 4.329 4.480 0.001 0.000 0.261 488 M C 1.604 177.911 176.300 0.011 0.000 1.064 488 M CA 1.073 56.378 55.300 0.009 0.000 1.102 488 M CB -0.577 32.028 32.600 0.009 0.000 1.369 488 M HN 0.544 nan 8.290 nan 0.000 0.408 489 I N 0.383 120.967 120.570 0.022 0.000 2.394 489 I HA -0.222 3.949 4.170 0.001 0.000 0.251 489 I C 1.761 177.887 176.117 0.014 0.000 1.136 489 I CA 1.253 62.563 61.300 0.018 0.000 1.425 489 I CB -1.363 36.650 38.000 0.022 0.000 1.079 489 I HN 0.236 nan 8.210 nan 0.000 0.425 490 D N 0.809 121.220 120.400 0.019 0.000 2.149 490 D HA -0.075 4.565 4.640 0.001 0.000 0.201 490 D C 2.173 178.476 176.300 0.005 0.000 0.972 490 D CA 1.004 55.013 54.000 0.015 0.000 0.835 490 D CB -0.030 40.785 40.800 0.024 0.000 0.966 490 D HN 0.330 nan 8.370 nan 0.000 0.476 491 M N -0.719 118.880 119.600 -0.001 0.000 2.618 491 M HA 0.173 4.653 4.480 0.001 0.000 0.240 491 M C 1.210 177.499 176.300 -0.018 0.000 1.123 491 M CA 0.541 55.831 55.300 -0.016 0.000 1.060 491 M CB 0.461 33.040 32.600 -0.034 0.000 1.535 491 M HN 0.041 nan 8.290 nan 0.000 0.507 492 G N 1.895 110.690 108.800 -0.009 0.000 2.184 492 G HA2 -0.256 3.704 3.960 0.001 0.000 0.264 492 G HA3 -0.256 3.704 3.960 0.001 0.000 0.264 492 G C 0.221 175.115 174.900 -0.010 0.000 0.975 492 G CA -0.191 44.904 45.100 -0.008 0.000 0.642 492 G HN 0.554 nan 8.290 nan 0.000 0.536 493 I N 2.047 122.609 120.570 -0.014 0.000 2.268 493 I HA 0.294 4.465 4.170 0.001 0.000 0.298 493 I C 0.548 176.664 176.117 -0.002 0.000 1.185 493 I CA 0.005 61.297 61.300 -0.014 0.000 1.548 493 I CB -0.228 37.757 38.000 -0.025 0.000 1.492 493 I HN 0.079 nan 8.210 nan 0.000 0.711 494 L N 3.209 124.433 121.223 0.002 0.000 2.296 494 L HA 0.582 4.922 4.340 0.001 0.000 0.286 494 L C -0.535 176.341 176.870 0.010 0.000 1.023 494 L CA -0.965 53.880 54.840 0.008 0.000 0.812 494 L CB 1.144 43.208 42.059 0.009 0.000 1.223 494 L HN 0.205 nan 8.230 nan 0.000 0.421 495 D N 2.987 123.394 120.400 0.012 0.000 2.225 495 D HA 0.388 5.029 4.640 0.001 0.000 0.249 495 D C -2.453 173.856 176.300 0.016 0.000 1.052 495 D CA -1.488 52.521 54.000 0.015 0.000 0.909 495 D CB 1.540 42.349 40.800 0.016 0.000 1.186 495 D HN 0.259 nan 8.370 nan 0.000 0.431 496 P HA 0.152 nan 4.420 nan 0.000 0.279 496 P C 0.627 177.936 177.300 0.015 0.000 1.239 496 P CA -0.272 62.839 63.100 0.018 0.000 0.789 496 P CB 0.774 32.489 31.700 0.025 0.000 0.933 497 T N 1.655 116.215 114.554 0.011 0.000 2.674 497 T HA -0.188 4.162 4.350 0.001 0.000 0.265 497 T C 1.638 176.339 174.700 0.002 0.000 1.039 497 T CA 1.331 63.435 62.100 0.006 0.000 1.150 497 T CB -0.472 68.398 68.868 0.003 0.000 0.864 497 T HN 0.492 nan 8.240 nan 0.000 0.427 498 K N 0.874 121.278 120.400 0.006 0.000 2.077 498 K HA -0.193 4.128 4.320 0.001 0.000 0.213 498 K C 2.412 179.018 176.600 0.010 0.000 1.051 498 K CA 1.950 58.240 56.287 0.006 0.000 0.929 498 K CB -0.563 31.948 32.500 0.018 0.000 0.715 498 K HN 0.304 nan 8.250 nan 0.000 0.451 499 V N 0.015 119.944 119.914 0.024 0.000 2.295 499 V HA -0.199 3.921 4.120 0.001 0.000 0.246 499 V C 1.781 177.884 176.094 0.015 0.000 1.049 499 V CA 2.536 64.855 62.300 0.031 0.000 1.024 499 V CB -0.812 31.037 31.823 0.044 0.000 0.648 499 V HN 0.426 nan 8.190 nan 0.000 0.447 500 T N 0.645 115.204 114.554 0.007 0.000 2.746 500 T HA -0.147 4.203 4.350 0.001 0.000 0.267 500 T C 2.041 176.729 174.700 -0.020 0.000 1.039 500 T CA 1.842 63.943 62.100 0.001 0.000 1.142 500 T CB -0.453 68.418 68.868 0.004 0.000 0.866 500 T HN 0.521 nan 8.240 nan 0.000 0.444 501 R N 1.154 121.634 120.500 -0.033 0.000 2.082 501 R HA -0.100 4.240 4.340 0.001 0.000 0.234 501 R C 2.556 178.782 176.300 -0.123 0.000 1.136 501 R CA 1.969 58.030 56.100 -0.064 0.000 0.935 501 R CB -0.805 29.460 30.300 -0.058 0.000 0.842 501 R HN 0.291 nan 8.270 nan 0.000 0.430 502 S N 0.605 116.225 115.700 -0.132 0.000 2.368 502 S HA -0.134 4.336 4.470 0.001 0.000 0.225 502 S C 2.034 176.527 174.600 -0.178 0.000 1.030 502 S CA 1.229 59.273 58.200 -0.259 0.000 0.999 502 S CB -0.354 62.802 63.200 -0.074 0.000 0.844 502 S HN 0.581 nan 8.310 nan 0.000 0.459 503 A N 1.939 124.749 122.820 -0.016 0.000 1.869 503 A HA -0.155 4.165 4.320 0.001 0.000 0.218 503 A C 2.124 179.708 177.584 0.000 0.000 1.203 503 A CA 1.609 53.670 52.037 0.040 0.000 0.638 503 A CB -1.065 17.956 19.000 0.035 0.000 0.831 503 A HN 0.456 nan 8.150 nan 0.000 0.450 504 L N -0.762 120.437 121.223 -0.041 0.000 1.989 504 L HA -0.277 4.063 4.340 0.001 0.000 0.211 504 L C 2.860 179.690 176.870 -0.067 0.000 1.071 504 L CA 2.428 57.245 54.840 -0.039 0.000 0.749 504 L CB -0.802 41.233 42.059 -0.040 0.000 0.890 504 L HN 0.582 nan 8.230 nan 0.000 0.431 505 Q N -1.288 118.410 119.800 -0.170 0.000 2.061 505 Q HA -0.256 4.084 4.340 0.001 0.000 0.204 505 Q C 2.050 177.988 176.000 -0.104 0.000 0.984 505 Q CA 2.060 57.742 55.803 -0.202 0.000 0.846 505 Q CB -0.212 28.308 28.738 -0.362 0.000 0.902 505 Q HN 0.491 nan 8.270 nan 0.000 0.421 506 Y N -0.206 120.102 120.300 0.012 0.000 2.184 506 Y HA -0.101 4.450 4.550 0.001 0.000 0.290 506 Y C 2.381 178.287 175.900 0.011 0.000 1.129 506 Y CA 0.662 58.769 58.100 0.012 0.000 1.144 506 Y CB -1.078 37.390 38.460 0.012 0.000 0.995 506 Y HN 0.115 nan 8.280 nan 0.000 0.513 507 A N 0.344 123.260 122.820 0.160 0.000 1.883 507 A HA -0.187 4.133 4.320 0.001 0.000 0.217 507 A C 2.522 180.148 177.584 0.070 0.000 1.186 507 A CA 2.309 54.403 52.037 0.094 0.000 0.624 507 A CB -1.291 17.747 19.000 0.062 0.000 0.822 507 A HN 0.403 nan 8.150 nan 0.000 0.444 508 A N -0.875 121.977 122.820 0.053 0.000 1.877 508 A HA -0.130 4.190 4.320 0.001 0.000 0.216 508 A C 2.485 180.097 177.584 0.046 0.000 1.186 508 A CA 2.314 54.372 52.037 0.036 0.000 0.620 508 A CB -1.160 17.850 19.000 0.017 0.000 0.822 508 A HN 0.609 nan 8.150 nan 0.000 0.443 509 S N -0.568 115.173 115.700 0.068 0.000 2.359 509 S HA -0.188 4.283 4.470 0.001 0.000 0.222 509 S C 1.962 176.600 174.600 0.062 0.000 1.038 509 S CA 2.287 60.532 58.200 0.075 0.000 1.051 509 S CB -0.755 62.520 63.200 0.125 0.000 0.944 509 S HN 0.433 nan 8.310 nan 0.000 0.433 510 V N 2.344 122.299 119.914 0.069 0.000 2.237 510 V HA -0.077 4.043 4.120 0.001 0.000 0.245 510 V C 2.910 179.026 176.094 0.037 0.000 1.046 510 V CA 1.820 64.147 62.300 0.046 0.000 1.007 510 V CB -1.712 30.134 31.823 0.039 0.000 0.638 510 V HN 0.620 nan 8.190 nan 0.000 0.445 511 A N 0.909 123.751 122.820 0.038 0.000 2.024 511 A HA -0.071 4.250 4.320 0.001 0.000 0.220 511 A C 2.350 179.949 177.584 0.025 0.000 1.164 511 A CA 1.956 54.010 52.037 0.029 0.000 0.643 511 A CB -1.293 17.723 19.000 0.028 0.000 0.806 511 A HN 0.580 nan 8.150 nan 0.000 0.451 512 G N 0.003 108.819 108.800 0.027 0.000 2.480 512 G HA2 -0.212 3.749 3.960 0.001 0.000 0.216 512 G HA3 -0.212 3.749 3.960 0.001 0.000 0.216 512 G C 1.547 176.460 174.900 0.022 0.000 1.200 512 G CA 1.033 46.147 45.100 0.024 0.000 0.782 512 G HN 0.425 nan 8.290 nan 0.000 0.554 513 L N -0.452 120.785 121.223 0.024 0.000 2.013 513 L HA -0.151 4.190 4.340 0.001 0.000 0.212 513 L C 2.981 179.863 176.870 0.020 0.000 1.073 513 L CA 1.645 56.498 54.840 0.022 0.000 0.753 513 L CB -0.281 41.792 42.059 0.023 0.000 0.890 513 L HN 0.289 nan 8.230 nan 0.000 0.432 514 M N -0.013 119.599 119.600 0.021 0.000 2.149 514 M HA -0.224 4.257 4.480 0.001 0.000 0.261 514 M C 1.996 178.307 176.300 0.017 0.000 1.064 514 M CA 1.815 57.127 55.300 0.019 0.000 1.102 514 M CB -0.137 32.475 32.600 0.020 0.000 1.369 514 M HN 0.316 nan 8.290 nan 0.000 0.408 515 I N -2.811 117.769 120.570 0.017 0.000 3.291 515 I HA -0.008 4.162 4.170 0.001 0.000 0.279 515 I C 1.455 177.581 176.117 0.015 0.000 1.294 515 I CA 1.053 62.362 61.300 0.015 0.000 1.428 515 I CB -1.028 36.980 38.000 0.014 0.000 1.070 515 I HN 0.230 nan 8.210 nan 0.000 0.478 516 T N -2.488 112.076 114.554 0.017 0.000 3.235 516 T HA 0.171 4.522 4.350 0.001 0.000 0.251 516 T C 0.656 175.368 174.700 0.021 0.000 1.060 516 T CA -0.237 61.874 62.100 0.018 0.000 0.949 516 T CB -0.833 68.047 68.868 0.019 0.000 1.020 516 T HN 0.194 nan 8.240 nan 0.000 0.564 517 T N 2.459 117.024 114.554 0.018 0.000 2.749 517 T HA 0.310 4.661 4.350 0.001 0.000 0.295 517 T C 0.713 175.426 174.700 0.021 0.000 0.936 517 T CA -0.274 61.836 62.100 0.017 0.000 1.060 517 T CB 1.479 70.354 68.868 0.012 0.000 0.904 517 T HN 0.355 nan 8.240 nan 0.000 0.500 518 E N 1.511 121.731 120.200 0.033 0.000 2.485 518 E HA 0.208 4.559 4.350 0.001 0.000 0.213 518 E C -0.048 176.593 176.600 0.069 0.000 0.923 518 E CA -0.050 56.387 56.400 0.061 0.000 1.054 518 E CB 0.513 30.263 29.700 0.083 0.000 1.077 518 E HN 0.582 nan 8.360 nan 0.000 0.509 519 C N 0.356 119.658 119.300 0.002 0.000 2.880 519 C HA 0.727 5.187 4.460 0.001 0.000 0.320 519 C C -1.543 173.372 174.990 -0.125 0.000 1.176 519 C CA -0.705 58.230 59.018 -0.137 0.000 1.390 519 C CB 0.514 28.178 27.740 -0.126 0.000 1.846 519 C HN 0.307 nan 8.230 nan 0.000 0.478 520 M N 4.716 124.216 119.600 -0.167 0.000 2.395 520 M HA 0.595 5.075 4.480 0.001 0.000 0.307 520 M C -1.201 175.139 176.300 0.066 0.000 1.091 520 M CA -0.578 54.728 55.300 0.011 0.000 0.919 520 M CB 2.202 34.885 32.600 0.138 0.000 1.662 520 M HN 0.404 nan 8.290 nan 0.000 0.440 521 V N 1.614 121.555 119.914 0.045 0.000 2.443 521 V HA 0.668 4.788 4.120 0.001 0.000 0.293 521 V C -0.363 175.703 176.094 -0.047 0.000 1.021 521 V CA -0.348 61.954 62.300 0.004 0.000 0.848 521 V CB 1.844 33.653 31.823 -0.024 0.000 0.998 521 V HN 0.958 nan 8.190 nan 0.000 0.424 522 T N 2.224 116.701 114.554 -0.129 0.000 2.812 522 T HA 0.447 4.797 4.350 0.001 0.000 0.294 522 T C -1.130 173.450 174.700 -0.200 0.000 1.159 522 T CA -0.522 61.442 62.100 -0.227 0.000 1.008 522 T CB 1.913 70.510 68.868 -0.452 0.000 1.289 522 T HN 0.596 nan 8.240 nan 0.000 0.514 523 D N 1.335 121.628 120.400 -0.179 0.000 2.368 523 D HA 0.311 4.951 4.640 0.001 0.000 0.240 523 D C 0.191 176.402 176.300 -0.148 0.000 1.169 523 D CA 0.072 53.993 54.000 -0.131 0.000 0.906 523 D CB 0.370 41.109 40.800 -0.102 0.000 1.187 523 D HN 0.372 nan 8.370 nan 0.000 0.435 524 L N 2.542 123.711 121.223 -0.090 0.000 2.439 524 L HA 0.232 4.573 4.340 0.001 0.000 0.269 524 L C -1.401 175.430 176.870 -0.066 0.000 1.179 524 L CA -1.461 53.339 54.840 -0.068 0.000 0.828 524 L CB 0.290 42.330 42.059 -0.032 0.000 1.106 524 L HN 0.338 nan 8.230 nan 0.000 0.467 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.077 63.100 -0.039 0.000 0.800 525 P CB 0.000 31.690 31.700 -0.016 0.000 0.726