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 1pf9_1_A 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 0.000 177.576 177.584 -0.013 0.000 1.274 2 A CA 0.000 52.028 52.037 -0.015 0.000 0.836 2 A CB 0.000 18.987 19.000 -0.022 0.000 0.831 3 A N 2.230 125.046 122.820 -0.007 0.000 2.561 3 A HA 0.493 4.814 4.320 0.001 0.000 0.234 3 A C 0.253 177.832 177.584 -0.008 0.000 1.055 3 A CA 0.518 52.554 52.037 -0.002 0.000 0.756 3 A CB -0.065 18.937 19.000 0.004 0.000 0.986 3 A HN 0.626 nan 8.150 nan 0.000 0.505 4 K N 1.562 121.961 120.400 -0.002 0.000 2.208 4 K HA 0.393 4.714 4.320 0.001 0.000 0.247 4 K C -1.225 175.386 176.600 0.019 0.000 0.953 4 K CA -0.757 55.525 56.287 -0.009 0.000 0.837 4 K CB 1.640 34.131 32.500 -0.015 0.000 1.131 4 K HN 0.693 nan 8.250 nan 0.000 0.431 5 D N 1.953 122.371 120.400 0.029 0.000 2.329 5 D HA 0.218 4.858 4.640 0.001 0.000 0.232 5 D C -0.909 175.512 176.300 0.202 0.000 1.088 5 D CA -0.499 53.581 54.000 0.132 0.000 0.835 5 D CB 0.929 41.847 40.800 0.197 0.000 1.078 5 D HN 0.279 nan 8.370 nan 0.000 0.495 6 V N 1.298 121.283 119.914 0.118 0.000 2.435 6 V HA 0.661 4.782 4.120 0.001 0.000 0.290 6 V C -0.359 175.658 176.094 -0.127 0.000 1.030 6 V CA -0.612 61.682 62.300 -0.009 0.000 0.881 6 V CB 1.555 33.292 31.823 -0.144 0.000 0.983 6 V HN 0.325 nan 8.190 nan 0.000 0.445 7 K N 3.896 124.134 120.400 -0.271 0.000 2.371 7 K HA 0.731 5.052 4.320 0.001 0.000 0.251 7 K C -1.618 174.691 176.600 -0.485 0.000 0.934 7 K CA -0.454 55.604 56.287 -0.382 0.000 0.798 7 K CB 2.315 34.397 32.500 -0.697 0.000 1.204 7 K HN 0.715 nan 8.250 nan 0.000 0.427 8 F N 0.102 120.006 119.950 -0.077 0.000 2.598 8 F HA 0.443 4.971 4.527 0.001 0.000 0.327 8 F C 1.292 177.060 175.800 -0.053 0.000 1.057 8 F CA 0.130 58.105 58.000 -0.042 0.000 0.957 8 F CB 1.684 40.668 39.000 -0.026 0.000 1.278 8 F HN 0.803 nan 8.300 nan 0.000 0.484 9 G N 1.748 110.664 108.800 0.192 0.000 2.661 9 G HA2 -0.513 3.448 3.960 0.001 0.000 0.327 9 G HA3 -0.513 3.448 3.960 0.001 0.000 0.327 9 G C 0.938 175.860 174.900 0.036 0.000 1.320 9 G CA 1.217 46.374 45.100 0.094 0.000 0.997 9 G HN 0.925 nan 8.290 nan 0.000 0.543 10 N N 0.161 118.874 118.700 0.022 0.000 2.166 10 N HA -0.084 4.657 4.740 0.001 0.000 0.186 10 N C 1.764 177.262 175.510 -0.020 0.000 1.019 10 N CA 2.195 55.246 53.050 0.002 0.000 0.856 10 N CB -0.238 38.249 38.487 0.001 0.000 0.993 10 N HN 0.518 nan 8.380 nan 0.000 0.426 11 D N 0.050 120.433 120.400 -0.029 0.000 2.137 11 D HA -0.190 4.450 4.640 0.001 0.000 0.189 11 D C 1.862 178.085 176.300 -0.128 0.000 0.998 11 D CA 1.943 55.897 54.000 -0.077 0.000 0.839 11 D CB -0.797 39.953 40.800 -0.084 0.000 0.962 11 D HN 0.457 nan 8.370 nan 0.000 0.446 12 A N 0.456 123.193 122.820 -0.139 0.000 1.902 12 A HA -0.199 4.122 4.320 0.001 0.000 0.217 12 A C 2.199 179.738 177.584 -0.075 0.000 1.181 12 A CA 1.555 53.481 52.037 -0.184 0.000 0.623 12 A CB -0.436 18.480 19.000 -0.139 0.000 0.818 12 A HN 0.141 nan 8.150 nan 0.000 0.443 13 R N -0.822 119.657 120.500 -0.034 0.000 2.073 13 R HA -0.097 4.244 4.340 0.001 0.000 0.234 13 R C 2.093 178.389 176.300 -0.008 0.000 1.134 13 R CA 1.501 57.597 56.100 -0.006 0.000 0.952 13 R CB -0.650 29.651 30.300 0.003 0.000 0.850 13 R HN 0.390 nan 8.270 nan 0.000 0.433 14 V N 1.823 121.724 119.914 -0.021 0.000 2.287 14 V HA -0.295 3.826 4.120 0.001 0.000 0.248 14 V C 2.295 178.384 176.094 -0.009 0.000 1.053 14 V CA 1.731 64.022 62.300 -0.016 0.000 1.027 14 V CB -0.358 31.451 31.823 -0.023 0.000 0.646 14 V HN 0.285 nan 8.190 nan 0.000 0.447 15 K N -0.558 119.827 120.400 -0.024 0.000 1.991 15 K HA -0.205 4.115 4.320 0.001 0.000 0.212 15 K C 2.147 178.774 176.600 0.046 0.000 1.049 15 K CA 1.916 58.209 56.287 0.011 0.000 0.932 15 K CB -0.777 31.721 32.500 -0.004 0.000 0.717 15 K HN 0.409 nan 8.250 nan 0.000 0.441 16 M N 0.749 120.378 119.600 0.048 0.000 2.143 16 M HA -0.230 4.250 4.480 0.001 0.000 0.258 16 M C 2.084 178.406 176.300 0.037 0.000 1.071 16 M CA 1.471 56.805 55.300 0.056 0.000 1.088 16 M CB -0.091 32.537 32.600 0.047 0.000 1.360 16 M HN 0.105 nan 8.290 nan 0.000 0.404 17 L N 0.076 121.314 121.223 0.025 0.000 2.131 17 L HA -0.087 4.253 4.340 0.001 0.000 0.206 17 L C 2.177 179.058 176.870 0.019 0.000 1.087 17 L CA 1.634 56.486 54.840 0.019 0.000 0.767 17 L CB -0.532 41.535 42.059 0.013 0.000 0.917 17 L HN 0.196 nan 8.230 nan 0.000 0.441 18 R N -0.407 120.105 120.500 0.020 0.000 2.091 18 R HA -0.115 4.225 4.340 0.001 0.000 0.238 18 R C 2.219 178.533 176.300 0.023 0.000 1.136 18 R CA 1.256 57.368 56.100 0.020 0.000 0.959 18 R CB -1.116 29.197 30.300 0.022 0.000 0.856 18 R HN 0.559 nan 8.270 nan 0.000 0.437 19 G N 0.870 109.688 108.800 0.030 0.000 2.480 19 G HA2 -0.265 3.695 3.960 0.001 0.000 0.216 19 G HA3 -0.265 3.695 3.960 0.001 0.000 0.216 19 G C 1.507 176.419 174.900 0.020 0.000 1.200 19 G CA 1.215 46.332 45.100 0.028 0.000 0.782 19 G HN 0.144 nan 8.290 nan 0.000 0.554 20 V N 1.533 121.459 119.914 0.021 0.000 2.250 20 V HA -0.338 3.783 4.120 0.001 0.000 0.250 20 V C 2.518 178.619 176.094 0.013 0.000 1.060 20 V CA 2.430 64.739 62.300 0.016 0.000 1.030 20 V CB -1.051 30.783 31.823 0.018 0.000 0.643 20 V HN 0.475 nan 8.190 nan 0.000 0.445 21 N N -0.038 118.670 118.700 0.013 0.000 2.043 21 N HA -0.178 4.563 4.740 0.001 0.000 0.193 21 N C 1.777 177.292 175.510 0.008 0.000 1.037 21 N CA 1.642 54.699 53.050 0.010 0.000 0.851 21 N CB -0.379 38.114 38.487 0.010 0.000 1.027 21 N HN 0.307 nan 8.380 nan 0.000 0.422 22 V N 1.868 121.787 119.914 0.009 0.000 2.250 22 V HA -0.242 3.878 4.120 0.001 0.000 0.250 22 V C 2.239 178.336 176.094 0.004 0.000 1.060 22 V CA 1.441 63.745 62.300 0.006 0.000 1.030 22 V CB -0.732 31.095 31.823 0.007 0.000 0.643 22 V HN 0.393 nan 8.190 nan 0.000 0.445 23 L N 0.922 122.148 121.223 0.005 0.000 1.961 23 L HA -0.126 4.215 4.340 0.001 0.000 0.210 23 L C 2.602 179.474 176.870 0.003 0.000 1.072 23 L CA 2.877 57.719 54.840 0.003 0.000 0.749 23 L CB -1.781 40.280 42.059 0.003 0.000 0.889 23 L HN 0.305 nan 8.230 nan 0.000 0.432 24 A N 0.155 122.979 122.820 0.006 0.000 1.896 24 A HA -0.314 4.007 4.320 0.001 0.000 0.220 24 A C 1.896 179.483 177.584 0.005 0.000 1.206 24 A CA 2.386 54.427 52.037 0.007 0.000 0.647 24 A CB -1.111 17.894 19.000 0.009 0.000 0.828 24 A HN 0.635 nan 8.150 nan 0.000 0.455 25 D N -0.137 120.265 120.400 0.005 0.000 2.144 25 D HA -0.035 4.606 4.640 0.001 0.000 0.199 25 D C 2.140 178.441 176.300 0.001 0.000 0.984 25 D CA 1.557 55.559 54.000 0.003 0.000 0.834 25 D CB -0.571 40.230 40.800 0.003 0.000 0.955 25 D HN 0.493 nan 8.370 nan 0.000 0.465 26 A N 0.420 123.240 122.820 -0.000 0.000 1.972 26 A HA -0.110 4.211 4.320 0.001 0.000 0.219 26 A C 2.402 179.984 177.584 -0.002 0.000 1.169 26 A CA 1.025 53.060 52.037 -0.003 0.000 0.635 26 A CB -0.469 18.528 19.000 -0.005 0.000 0.810 26 A HN 0.175 nan 8.150 nan 0.000 0.446 27 V N -0.196 119.718 119.914 -0.001 0.000 2.649 27 V HA -0.149 3.971 4.120 0.001 0.000 0.248 27 V C 2.310 178.405 176.094 0.002 0.000 1.054 27 V CA 1.788 64.088 62.300 -0.000 0.000 1.073 27 V CB -0.473 31.351 31.823 0.001 0.000 0.699 27 V HN 0.488 nan 8.190 nan 0.000 0.463 28 K N 0.633 121.035 120.400 0.004 0.000 2.097 28 K HA -0.133 4.188 4.320 0.001 0.000 0.206 28 K C 2.065 178.668 176.600 0.005 0.000 1.049 28 K CA 1.692 57.982 56.287 0.005 0.000 0.933 28 K CB -0.430 32.074 32.500 0.006 0.000 0.717 28 K HN 0.567 nan 8.250 nan 0.000 0.442 29 V N -0.231 119.684 119.914 0.002 0.000 2.828 29 V HA -0.156 3.965 4.120 0.001 0.000 0.260 29 V C 1.915 178.010 176.094 0.002 0.000 1.101 29 V CA 2.028 64.329 62.300 0.002 0.000 1.123 29 V CB -1.417 30.406 31.823 -0.000 0.000 0.704 29 V HN 0.330 nan 8.190 nan 0.000 0.493 30 T N -2.281 112.274 114.554 0.002 0.000 3.163 30 T HA 0.360 4.710 4.350 0.001 0.000 0.252 30 T C 0.228 174.930 174.700 0.004 0.000 1.056 30 T CA -0.231 61.870 62.100 0.002 0.000 0.947 30 T CB -0.116 68.752 68.868 -0.000 0.000 1.016 30 T HN 0.347 nan 8.240 nan 0.000 0.554 31 L N 2.341 123.568 121.223 0.007 0.000 2.265 31 L HA 0.671 5.011 4.340 0.001 0.000 0.288 31 L C 0.579 177.455 176.870 0.011 0.000 1.058 31 L CA 1.197 56.043 54.840 0.009 0.000 0.809 31 L CB -0.073 41.993 42.059 0.012 0.000 1.179 31 L HN 0.618 nan 8.230 nan 0.000 0.429 32 G N 4.753 113.559 108.800 0.009 0.000 2.655 32 G HA2 -0.149 3.812 3.960 0.001 0.000 0.680 32 G HA3 -0.149 3.812 3.960 0.001 0.000 0.680 32 G C -2.250 172.650 174.900 0.001 0.000 1.302 32 G CA -0.330 44.774 45.100 0.007 0.000 0.872 32 G HN 0.499 nan 8.290 nan 0.000 0.540 33 P HA -0.033 nan 4.420 nan 0.000 0.218 33 P C 0.999 178.292 177.300 -0.011 0.000 1.149 33 P CA 1.456 64.547 63.100 -0.015 0.000 0.817 33 P CB 0.042 31.724 31.700 -0.031 0.000 0.785 34 K N 0.361 120.758 120.400 -0.005 0.000 2.577 34 K HA 0.250 4.571 4.320 0.001 0.000 0.210 34 K C 1.118 177.719 176.600 0.003 0.000 1.048 34 K CA -0.360 55.926 56.287 -0.001 0.000 1.188 34 K CB 0.074 32.577 32.500 0.004 0.000 0.910 34 K HN 0.081 nan 8.250 nan 0.000 0.483 35 G N 1.026 109.827 108.800 0.002 0.000 2.636 35 G HA2 0.160 4.120 3.960 0.001 0.000 0.246 35 G HA3 0.160 4.120 3.960 0.001 0.000 0.246 35 G C -0.211 174.689 174.900 -0.000 0.000 1.216 35 G CA -0.381 44.720 45.100 0.002 0.000 0.854 35 G HN 0.235 nan 8.290 nan 0.000 0.572 36 R N -0.165 120.335 120.500 -0.000 0.000 2.919 36 R HA 0.347 4.688 4.340 0.001 0.000 0.260 36 R C -0.568 175.730 176.300 -0.003 0.000 1.067 36 R CA -1.010 55.089 56.100 -0.002 0.000 1.003 36 R CB 1.379 31.677 30.300 -0.002 0.000 1.192 36 R HN 0.478 nan 8.270 nan 0.000 0.488 37 N N -0.086 118.611 118.700 -0.005 0.000 2.482 37 N HA 0.386 5.126 4.740 0.001 0.000 0.279 37 N C -0.898 174.607 175.510 -0.008 0.000 1.182 37 N CA -0.380 52.666 53.050 -0.006 0.000 0.969 37 N CB 1.777 40.260 38.487 -0.007 0.000 1.201 37 N HN 0.111 nan 8.380 nan 0.000 0.523 38 V N 0.801 120.709 119.914 -0.010 0.000 2.628 38 V HA 0.421 4.542 4.120 0.001 0.000 0.306 38 V C -0.017 176.065 176.094 -0.019 0.000 1.045 38 V CA -0.861 61.431 62.300 -0.014 0.000 0.905 38 V CB 2.061 33.876 31.823 -0.013 0.000 0.997 38 V HN 0.283 nan 8.190 nan 0.000 0.436 39 V N 5.339 125.239 119.914 -0.024 0.000 2.398 39 V HA 0.477 4.598 4.120 0.001 0.000 0.286 39 V C -0.311 175.758 176.094 -0.042 0.000 1.026 39 V CA -0.426 61.855 62.300 -0.032 0.000 0.868 39 V CB 1.344 33.148 31.823 -0.032 0.000 0.982 39 V HN 0.624 nan 8.190 nan 0.000 0.443 40 L N 3.841 125.032 121.223 -0.053 0.000 2.287 40 L HA 0.547 4.888 4.340 0.001 0.000 0.287 40 L C 0.025 176.826 176.870 -0.114 0.000 1.022 40 L CA -0.522 54.275 54.840 -0.072 0.000 0.814 40 L CB 1.450 43.472 42.059 -0.061 0.000 1.217 40 L HN 0.507 nan 8.230 nan 0.000 0.420 41 D N 2.995 123.317 120.400 -0.130 0.000 2.371 41 D HA 0.313 4.954 4.640 0.001 0.000 0.242 41 D C -0.635 175.473 176.300 -0.320 0.000 1.218 41 D CA 0.125 54.020 54.000 -0.175 0.000 0.945 41 D CB 0.882 41.603 40.800 -0.133 0.000 1.137 41 D HN 0.384 nan 8.370 nan 0.000 0.464 42 K N -0.065 120.081 120.400 -0.424 0.000 2.589 42 K HA 0.161 4.482 4.320 0.001 0.000 0.253 42 K C 0.668 176.906 176.600 -0.604 0.000 0.974 42 K CA -0.379 55.362 56.287 -0.910 0.000 0.835 42 K CB 1.506 33.363 32.500 -1.072 0.000 1.272 42 K HN 0.311 nan 8.250 nan 0.000 0.444 43 S N 2.727 118.161 115.700 -0.443 0.000 2.382 43 S HA -0.162 4.308 4.470 0.001 0.000 0.228 43 S C 1.612 176.338 174.600 0.210 0.000 1.027 43 S CA 0.946 59.161 58.200 0.024 0.000 0.991 43 S CB -0.568 62.742 63.200 0.184 0.000 0.823 43 S HN 0.501 nan 8.310 nan 0.000 0.469 44 F N 2.869 122.815 119.950 -0.007 0.000 2.338 44 F HA 0.052 4.580 4.527 0.001 0.000 0.305 44 F C 1.979 177.775 175.800 -0.005 0.000 1.288 44 F CA 0.537 58.533 58.000 -0.006 0.000 1.280 44 F CB -1.811 37.185 39.000 -0.007 0.000 0.893 44 F HN 0.481 nan 8.300 nan 0.000 0.591 45 G N -1.824 107.080 108.800 0.174 0.000 3.253 45 G HA2 0.595 4.555 3.960 0.001 0.000 0.175 45 G HA3 0.595 4.555 3.960 0.001 0.000 0.175 45 G C -0.934 173.964 174.900 -0.003 0.000 1.098 45 G CA -0.189 44.953 45.100 0.069 0.000 0.790 45 G HN 0.582 nan 8.290 nan 0.000 0.648 46 A N 0.744 123.564 122.820 0.000 0.000 2.520 46 A HA 0.543 4.864 4.320 0.001 0.000 0.235 46 A C -1.819 175.731 177.584 -0.056 0.000 1.065 46 A CA -0.232 51.791 52.037 -0.024 0.000 0.764 46 A CB -0.644 18.351 19.000 -0.009 0.000 1.002 46 A HN 0.350 nan 8.150 nan 0.000 0.502 47 P HA 0.176 nan 4.420 nan 0.000 0.272 47 P C -0.066 177.198 177.300 -0.061 0.000 1.248 47 P CA 0.127 63.172 63.100 -0.091 0.000 0.799 47 P CB 0.369 32.025 31.700 -0.074 0.000 0.997 48 T N 0.951 115.468 114.554 -0.062 0.000 2.792 48 T HA 0.542 4.893 4.350 0.001 0.000 0.280 48 T C -0.120 174.563 174.700 -0.029 0.000 0.990 48 T CA -0.315 61.764 62.100 -0.035 0.000 0.960 48 T CB 0.001 68.850 68.868 -0.033 0.000 0.939 48 T HN 0.114 nan 8.240 nan 0.000 0.439 49 I N 3.014 123.573 120.570 -0.018 0.000 2.321 49 I HA 0.518 4.688 4.170 0.001 0.000 0.291 49 I C 0.528 176.639 176.117 -0.009 0.000 0.998 49 I CA -0.312 60.979 61.300 -0.015 0.000 1.227 49 I CB 1.655 39.647 38.000 -0.012 0.000 1.368 49 I HN 0.438 nan 8.210 nan 0.000 0.466 50 T N 4.392 118.941 114.554 -0.010 0.000 2.894 50 T HA 0.308 4.659 4.350 0.001 0.000 0.309 50 T C 0.058 174.754 174.700 -0.005 0.000 1.208 50 T CA -0.619 61.477 62.100 -0.006 0.000 1.016 50 T CB 1.732 70.597 68.868 -0.005 0.000 1.192 50 T HN 0.697 nan 8.240 nan 0.000 0.491 51 K N 1.402 121.800 120.400 -0.003 0.000 2.358 51 K HA 0.188 4.509 4.320 0.001 0.000 0.200 51 K C -0.393 176.205 176.600 -0.002 0.000 1.030 51 K CA -0.088 56.197 56.287 -0.002 0.000 1.097 51 K CB 0.329 32.828 32.500 -0.001 0.000 0.862 51 K HN 0.544 nan 8.250 nan 0.000 0.534 52 D N -0.715 119.683 120.400 -0.004 0.000 2.359 52 D HA 0.147 4.787 4.640 0.001 0.000 0.230 52 D C 1.136 177.430 176.300 -0.009 0.000 1.118 52 D CA -0.233 53.764 54.000 -0.006 0.000 0.844 52 D CB 1.413 42.209 40.800 -0.007 0.000 1.059 52 D HN 0.141 nan 8.370 nan 0.000 0.493 53 G N 2.619 111.415 108.800 -0.008 0.000 2.469 53 G HA2 -0.275 3.685 3.960 0.001 0.000 0.219 53 G HA3 -0.275 3.685 3.960 0.001 0.000 0.219 53 G C 1.485 176.378 174.900 -0.012 0.000 1.150 53 G CA 0.889 45.984 45.100 -0.007 0.000 0.763 53 G HN 0.508 nan 8.290 nan 0.000 0.561 54 V N 0.390 120.292 119.914 -0.019 0.000 2.626 54 V HA -0.111 4.010 4.120 0.001 0.000 0.252 54 V C 2.853 178.936 176.094 -0.018 0.000 1.067 54 V CA 2.678 64.964 62.300 -0.024 0.000 1.081 54 V CB -0.274 31.526 31.823 -0.038 0.000 0.686 54 V HN 0.332 nan 8.190 nan 0.000 0.468 55 S N -0.466 115.225 115.700 -0.014 0.000 2.368 55 S HA -0.131 4.340 4.470 0.001 0.000 0.224 55 S C 1.843 176.439 174.600 -0.007 0.000 1.029 55 S CA 1.574 59.769 58.200 -0.007 0.000 0.988 55 S CB -0.045 63.153 63.200 -0.004 0.000 0.838 55 S HN 0.509 nan 8.310 nan 0.000 0.462 56 V N 1.971 121.880 119.914 -0.009 0.000 2.358 56 V HA -0.181 3.939 4.120 0.001 0.000 0.246 56 V C 2.601 178.690 176.094 -0.009 0.000 1.047 56 V CA 1.674 63.968 62.300 -0.010 0.000 1.035 56 V CB -1.197 30.620 31.823 -0.009 0.000 0.658 56 V HN 0.518 nan 8.190 nan 0.000 0.452 57 A N 0.584 123.398 122.820 -0.009 0.000 1.851 57 A HA -0.238 4.083 4.320 0.001 0.000 0.216 57 A C 2.277 179.856 177.584 -0.009 0.000 1.195 57 A CA 1.844 53.875 52.037 -0.009 0.000 0.622 57 A CB -0.605 18.388 19.000 -0.012 0.000 0.831 57 A HN 0.493 nan 8.150 nan 0.000 0.444 58 R N -0.212 120.283 120.500 -0.009 0.000 2.226 58 R HA -0.156 4.185 4.340 0.001 0.000 0.246 58 R C 1.308 177.609 176.300 0.001 0.000 1.161 58 R CA 1.323 57.420 56.100 -0.004 0.000 0.997 58 R CB -0.456 29.844 30.300 -0.000 0.000 0.870 58 R HN 0.555 nan 8.270 nan 0.000 0.465 59 E N 0.384 120.582 120.200 -0.002 0.000 2.318 59 E HA 0.064 4.414 4.350 0.001 0.000 0.193 59 E C 0.716 177.312 176.600 -0.007 0.000 0.998 59 E CA 0.187 56.585 56.400 -0.004 0.000 0.859 59 E CB 0.208 29.899 29.700 -0.015 0.000 0.812 59 E HN 0.157 nan 8.360 nan 0.000 0.492 60 I N 2.164 122.730 120.570 -0.007 0.000 2.452 60 I HA 0.136 4.306 4.170 0.001 0.000 0.287 60 I C 0.426 176.540 176.117 -0.006 0.000 1.079 60 I CA 0.195 61.492 61.300 -0.007 0.000 1.387 60 I CB 0.288 38.285 38.000 -0.005 0.000 1.404 60 I HN -0.033 nan 8.210 nan 0.000 0.522 61 E N 6.219 126.415 120.200 -0.006 0.000 2.308 61 E HA 0.510 4.861 4.350 0.001 0.000 0.275 61 E C -1.938 174.658 176.600 -0.007 0.000 0.890 61 E CA -0.676 55.720 56.400 -0.007 0.000 0.754 61 E CB 2.115 31.810 29.700 -0.008 0.000 1.207 61 E HN 0.236 nan 8.360 nan 0.000 0.426 62 L N 3.106 124.325 121.223 -0.007 0.000 2.322 62 L HA 0.327 4.667 4.340 0.001 0.000 0.269 62 L C 1.268 178.135 176.870 -0.005 0.000 1.012 62 L CA -0.118 54.721 54.840 -0.002 0.000 0.815 62 L CB 1.403 43.465 42.059 0.006 0.000 1.295 62 L HN 0.873 nan 8.230 nan 0.000 0.438 63 E N 0.219 120.419 120.200 0.000 0.000 2.051 63 E HA -0.120 4.231 4.350 0.001 0.000 0.189 63 E C 0.262 176.862 176.600 0.001 0.000 0.979 63 E CA 0.459 56.858 56.400 -0.001 0.000 0.803 63 E CB 0.133 29.835 29.700 0.003 0.000 0.761 63 E HN 0.643 nan 8.360 nan 0.000 0.451 64 D N 0.869 121.281 120.400 0.020 0.000 2.389 64 D HA -0.072 4.568 4.640 0.001 0.000 0.263 64 D C 0.576 176.887 176.300 0.018 0.000 1.255 64 D CA 0.046 54.073 54.000 0.045 0.000 0.914 64 D CB 0.756 41.604 40.800 0.080 0.000 1.116 64 D HN 0.072 nan 8.370 nan 0.000 0.502 65 K N 3.440 123.810 120.400 -0.050 0.000 2.152 65 K HA -0.164 4.156 4.320 0.001 0.000 0.206 65 K C 1.695 178.139 176.600 -0.261 0.000 1.048 65 K CA 1.069 57.238 56.287 -0.197 0.000 0.933 65 K CB -0.173 32.124 32.500 -0.338 0.000 0.721 65 K HN 0.507 nan 8.250 nan 0.000 0.447 66 F N 1.171 121.109 119.950 -0.019 0.000 2.179 66 F HA -0.014 4.514 4.527 0.001 0.000 0.292 66 F C 2.383 178.173 175.800 -0.016 0.000 1.089 66 F CA 0.808 58.795 58.000 -0.022 0.000 1.295 66 F CB -0.371 38.615 39.000 -0.024 0.000 1.041 66 F HN 0.061 nan 8.300 nan 0.000 0.487 67 E N 0.179 120.483 120.200 0.174 0.000 2.085 67 E HA -0.279 4.072 4.350 0.001 0.000 0.194 67 E C 1.878 178.508 176.600 0.050 0.000 0.994 67 E CA 1.428 57.884 56.400 0.093 0.000 0.801 67 E CB -0.319 29.422 29.700 0.069 0.000 0.743 67 E HN 0.264 nan 8.360 nan 0.000 0.453 68 N N 0.601 119.314 118.700 0.022 0.000 2.036 68 N HA -0.200 4.540 4.740 0.001 0.000 0.195 68 N C 1.751 177.257 175.510 -0.007 0.000 1.037 68 N CA 1.598 54.644 53.050 -0.006 0.000 0.855 68 N CB -0.083 38.385 38.487 -0.033 0.000 1.033 68 N HN 0.079 nan 8.380 nan 0.000 0.423 69 M N -0.530 119.061 119.600 -0.016 0.000 2.106 69 M HA -0.128 4.353 4.480 0.001 0.000 0.259 69 M C 2.164 178.473 176.300 0.015 0.000 1.068 69 M CA 1.834 57.127 55.300 -0.010 0.000 1.100 69 M CB -0.779 31.814 32.600 -0.013 0.000 1.351 69 M HN 0.365 nan 8.290 nan 0.000 0.404 70 G N -0.058 108.764 108.800 0.036 0.000 2.514 70 G HA2 -0.253 3.708 3.960 0.001 0.000 0.217 70 G HA3 -0.253 3.708 3.960 0.001 0.000 0.217 70 G C 1.578 176.489 174.900 0.019 0.000 1.198 70 G CA 1.277 46.396 45.100 0.033 0.000 0.780 70 G HN 0.573 nan 8.290 nan 0.000 0.565 71 A N -0.482 122.346 122.820 0.015 0.000 1.933 71 A HA -0.056 4.265 4.320 0.001 0.000 0.218 71 A C 2.355 179.940 177.584 0.002 0.000 1.175 71 A CA 1.934 53.976 52.037 0.008 0.000 0.628 71 A CB -0.320 18.684 19.000 0.006 0.000 0.814 71 A HN 0.347 nan 8.150 nan 0.000 0.444 72 Q N -1.002 118.796 119.800 -0.002 0.000 2.369 72 Q HA 0.018 4.359 4.340 0.001 0.000 0.206 72 Q C 1.949 177.946 176.000 -0.006 0.000 0.963 72 Q CA 0.915 56.713 55.803 -0.008 0.000 0.894 72 Q CB -0.223 28.506 28.738 -0.015 0.000 0.965 72 Q HN 0.785 nan 8.270 nan 0.000 0.475 73 M N -0.436 119.165 119.600 0.001 0.000 2.155 73 M HA -0.109 4.372 4.480 0.001 0.000 0.258 73 M C 2.242 178.545 176.300 0.005 0.000 1.092 73 M CA 1.042 56.344 55.300 0.004 0.000 1.153 73 M CB -0.328 32.279 32.600 0.011 0.000 1.316 73 M HN 0.016 nan 8.290 nan 0.000 0.431 74 V N -0.279 119.641 119.914 0.009 0.000 2.453 74 V HA -0.302 3.818 4.120 0.001 0.000 0.252 74 V C 2.137 178.232 176.094 0.003 0.000 1.068 74 V CA 2.124 64.430 62.300 0.011 0.000 1.070 74 V CB -1.461 30.370 31.823 0.013 0.000 0.664 74 V HN 0.523 nan 8.190 nan 0.000 0.461 75 K N 0.551 120.949 120.400 -0.003 0.000 2.228 75 K HA -0.297 4.023 4.320 0.001 0.000 0.205 75 K C 2.215 178.801 176.600 -0.024 0.000 1.045 75 K CA 2.140 58.420 56.287 -0.012 0.000 0.931 75 K CB -0.181 32.312 32.500 -0.012 0.000 0.727 75 K HN 0.712 nan 8.250 nan 0.000 0.458 76 E N 0.343 120.529 120.200 -0.024 0.000 2.371 76 E HA -0.100 4.250 4.350 0.001 0.000 0.194 76 E C 1.825 178.387 176.600 -0.064 0.000 1.012 76 E CA 0.553 56.926 56.400 -0.045 0.000 0.860 76 E CB 0.237 29.917 29.700 -0.034 0.000 0.811 76 E HN 0.303 nan 8.360 nan 0.000 0.502 77 V N 0.052 119.952 119.914 -0.023 0.000 2.270 77 V HA -0.132 3.989 4.120 0.001 0.000 0.245 77 V C 2.247 178.318 176.094 -0.038 0.000 1.043 77 V CA 1.973 64.273 62.300 -0.000 0.000 1.014 77 V CB -0.582 31.274 31.823 0.055 0.000 0.645 77 V HN 0.255 nan 8.190 nan 0.000 0.447 78 A N 0.127 122.933 122.820 -0.024 0.000 1.948 78 A HA -0.228 4.092 4.320 0.001 0.000 0.220 78 A C 2.636 180.180 177.584 -0.066 0.000 1.177 78 A CA 2.801 54.821 52.037 -0.028 0.000 0.636 78 A CB -1.135 17.854 19.000 -0.018 0.000 0.815 78 A HN 0.866 nan 8.150 nan 0.000 0.449 79 S N -1.245 114.404 115.700 -0.086 0.000 2.377 79 S HA -0.093 4.377 4.470 0.001 0.000 0.223 79 S C 2.144 176.641 174.600 -0.171 0.000 1.030 79 S CA 1.347 59.485 58.200 -0.103 0.000 0.970 79 S CB -0.236 62.915 63.200 -0.082 0.000 0.830 79 S HN 0.422 nan 8.310 nan 0.000 0.473 80 K N 1.321 121.555 120.400 -0.277 0.000 2.031 80 K HA 0.142 4.462 4.320 0.001 0.000 0.205 80 K C 2.413 178.655 176.600 -0.597 0.000 1.049 80 K CA 1.149 57.117 56.287 -0.533 0.000 0.939 80 K CB -1.040 30.951 32.500 -0.848 0.000 0.717 80 K HN 0.424 nan 8.250 nan 0.000 0.438 81 A N 2.201 124.779 122.820 -0.403 0.000 1.940 81 A HA -0.276 4.045 4.320 0.001 0.000 0.221 81 A C 2.023 179.572 177.584 -0.058 0.000 1.190 81 A CA 2.288 54.294 52.037 -0.052 0.000 0.647 81 A CB -0.839 18.189 19.000 0.048 0.000 0.821 81 A HN 0.544 nan 8.150 nan 0.000 0.457 82 N N -0.976 117.659 118.700 -0.107 0.000 2.216 82 N HA -0.145 4.595 4.740 0.001 0.000 0.183 82 N C 0.742 176.184 175.510 -0.112 0.000 1.017 82 N CA 1.328 54.316 53.050 -0.105 0.000 0.861 82 N CB -0.170 38.257 38.487 -0.101 0.000 0.986 82 N HN 0.383 nan 8.380 nan 0.000 0.428 83 D N 0.523 120.856 120.400 -0.112 0.000 2.269 83 D HA -0.005 4.635 4.640 0.001 0.000 0.208 83 D C 1.625 177.910 176.300 -0.025 0.000 0.963 83 D CA 0.448 54.404 54.000 -0.073 0.000 0.864 83 D CB 0.026 40.776 40.800 -0.084 0.000 0.936 83 D HN 0.384 nan 8.370 nan 0.000 0.505 84 A N 0.499 123.310 122.820 -0.015 0.000 1.861 84 A HA 0.303 4.624 4.320 0.001 0.000 0.212 84 A C 1.913 179.551 177.584 0.091 0.000 1.199 84 A CA 1.565 53.655 52.037 0.088 0.000 0.613 84 A CB 0.034 19.183 19.000 0.250 0.000 0.846 84 A HN 0.190 nan 8.150 nan 0.000 0.446 85 A N -2.526 120.333 122.820 0.064 0.000 2.628 85 A HA 0.477 4.798 4.320 0.001 0.000 0.267 85 A C 1.426 179.012 177.584 0.004 0.000 1.159 85 A CA 0.984 53.062 52.037 0.070 0.000 0.972 85 A CB -0.464 18.584 19.000 0.080 0.000 1.211 85 A HN 1.907 nan 8.150 nan 0.000 0.576 86 G N -0.136 108.583 108.800 -0.136 0.000 2.296 86 G HA2 -0.196 3.764 3.960 0.001 0.000 0.282 86 G HA3 -0.196 3.764 3.960 0.001 0.000 0.282 86 G C -0.183 174.623 174.900 -0.157 0.000 1.014 86 G CA 0.875 45.767 45.100 -0.348 0.000 0.812 86 G HN 0.726 nan 8.290 nan 0.000 0.508 87 D N -2.507 117.861 120.400 -0.053 0.000 2.694 87 D HA 0.528 5.169 4.640 0.001 0.000 0.260 87 D C 0.840 177.146 176.300 0.010 0.000 1.250 87 D CA 0.924 54.917 54.000 -0.012 0.000 0.763 87 D CB 0.637 41.448 40.800 0.019 0.000 1.311 87 D HN 1.260 nan 8.370 nan 0.000 0.420 88 G N 0.543 109.351 108.800 0.013 0.000 2.157 88 G HA2 -0.323 3.638 3.960 0.001 0.000 0.248 88 G HA3 -0.323 3.638 3.960 0.001 0.000 0.248 88 G C 1.004 175.920 174.900 0.026 0.000 0.979 88 G CA 1.630 46.745 45.100 0.025 0.000 0.650 88 G HN 0.835 nan 8.290 nan 0.000 0.529 89 T N -2.530 112.030 114.554 0.010 0.000 2.788 89 T HA -0.094 4.256 4.350 0.001 0.000 0.268 89 T C 2.217 176.923 174.700 0.010 0.000 1.044 89 T CA 2.527 64.630 62.100 0.005 0.000 1.139 89 T CB -0.556 68.302 68.868 -0.015 0.000 0.867 89 T HN 0.348 nan 8.240 nan 0.000 0.454 90 T N 1.833 116.392 114.554 0.009 0.000 2.812 90 T HA -0.059 4.291 4.350 0.001 0.000 0.264 90 T C 2.256 176.967 174.700 0.017 0.000 1.042 90 T CA 1.646 63.752 62.100 0.010 0.000 1.140 90 T CB -0.899 67.974 68.868 0.008 0.000 0.870 90 T HN 0.491 nan 8.240 nan 0.000 0.445 91 T N 2.378 116.945 114.554 0.021 0.000 2.607 91 T HA -0.149 4.201 4.350 0.001 0.000 0.267 91 T C 2.393 177.111 174.700 0.031 0.000 1.049 91 T CA 1.469 63.584 62.100 0.025 0.000 1.162 91 T CB -0.810 68.074 68.868 0.027 0.000 0.863 91 T HN 0.440 nan 8.240 nan 0.000 0.424 92 A N 1.355 124.200 122.820 0.040 0.000 1.881 92 A HA -0.257 4.064 4.320 0.001 0.000 0.219 92 A C 2.572 180.181 177.584 0.041 0.000 1.215 92 A CA 2.752 54.822 52.037 0.054 0.000 0.648 92 A CB -1.607 17.440 19.000 0.077 0.000 0.832 92 A HN 0.507 nan 8.150 nan 0.000 0.455 93 T N -0.443 114.129 114.554 0.030 0.000 2.699 93 T HA -0.158 4.192 4.350 0.001 0.000 0.268 93 T C 1.866 176.578 174.700 0.021 0.000 1.036 93 T CA 1.703 63.816 62.100 0.022 0.000 1.147 93 T CB -0.540 68.335 68.868 0.013 0.000 0.862 93 T HN 0.191 nan 8.240 nan 0.000 0.446 94 V N 1.275 121.201 119.914 0.020 0.000 2.295 94 V HA -0.134 3.987 4.120 0.001 0.000 0.246 94 V C 2.496 178.602 176.094 0.020 0.000 1.049 94 V CA 1.514 63.825 62.300 0.018 0.000 1.024 94 V CB -0.652 31.181 31.823 0.017 0.000 0.648 94 V HN 0.442 nan 8.190 nan 0.000 0.447 95 L N -0.146 121.091 121.223 0.024 0.000 2.042 95 L HA -0.194 4.146 4.340 0.001 0.000 0.210 95 L C 2.695 179.580 176.870 0.024 0.000 1.076 95 L CA 1.601 56.455 54.840 0.024 0.000 0.749 95 L CB -0.711 41.364 42.059 0.027 0.000 0.893 95 L HN 0.388 nan 8.230 nan 0.000 0.432 96 A N 0.138 122.975 122.820 0.028 0.000 1.873 96 A HA -0.285 4.035 4.320 0.001 0.000 0.215 96 A C 2.191 179.788 177.584 0.022 0.000 1.186 96 A CA 1.735 53.789 52.037 0.028 0.000 0.616 96 A CB -0.644 18.376 19.000 0.033 0.000 0.823 96 A HN 0.529 nan 8.150 nan 0.000 0.442 97 Q N -0.003 119.809 119.800 0.020 0.000 2.234 97 Q HA -0.046 4.294 4.340 0.001 0.000 0.206 97 Q C 1.768 177.777 176.000 0.015 0.000 0.980 97 Q CA 2.270 58.082 55.803 0.016 0.000 0.869 97 Q CB -0.434 28.312 28.738 0.014 0.000 0.912 97 Q HN 0.520 nan 8.270 nan 0.000 0.436 98 A N 0.765 123.595 122.820 0.015 0.000 1.861 98 A HA 0.018 4.338 4.320 0.001 0.000 0.212 98 A C 2.114 179.706 177.584 0.013 0.000 1.199 98 A CA 1.057 53.102 52.037 0.013 0.000 0.613 98 A CB -0.591 18.417 19.000 0.013 0.000 0.846 98 A HN 0.443 nan 8.150 nan 0.000 0.446 99 I N 0.046 120.625 120.570 0.015 0.000 2.118 99 I HA -0.334 3.837 4.170 0.001 0.000 0.241 99 I C 2.367 178.493 176.117 0.015 0.000 1.070 99 I CA 1.734 63.043 61.300 0.015 0.000 1.327 99 I CB -0.573 37.437 38.000 0.017 0.000 1.034 99 I HN 0.313 nan 8.210 nan 0.000 0.405 100 I N 0.313 120.893 120.570 0.016 0.000 2.127 100 I HA -0.303 3.868 4.170 0.001 0.000 0.241 100 I C 2.650 178.775 176.117 0.014 0.000 1.075 100 I CA 1.800 63.110 61.300 0.016 0.000 1.334 100 I CB -0.763 37.247 38.000 0.018 0.000 1.040 100 I HN 0.241 nan 8.210 nan 0.000 0.405 101 T N 0.203 114.764 114.554 0.012 0.000 2.570 101 T HA -0.229 4.122 4.350 0.001 0.000 0.266 101 T C 1.886 176.592 174.700 0.009 0.000 1.071 101 T CA 1.659 63.765 62.100 0.010 0.000 1.172 101 T CB -0.260 68.614 68.868 0.009 0.000 0.864 101 T HN 0.259 nan 8.240 nan 0.000 0.421 102 E N 0.547 120.753 120.200 0.009 0.000 2.058 102 E HA -0.057 4.294 4.350 0.001 0.000 0.194 102 E C 2.519 179.124 176.600 0.009 0.000 0.997 102 E CA 1.378 57.783 56.400 0.008 0.000 0.801 102 E CB -1.118 28.587 29.700 0.008 0.000 0.746 102 E HN 0.554 nan 8.360 nan 0.000 0.450 103 G N 1.303 110.109 108.800 0.010 0.000 2.491 103 G HA2 -0.260 3.701 3.960 0.001 0.000 0.218 103 G HA3 -0.260 3.701 3.960 0.001 0.000 0.218 103 G C 1.730 176.636 174.900 0.011 0.000 1.180 103 G CA 0.940 46.046 45.100 0.011 0.000 0.774 103 G HN 0.239 nan 8.290 nan 0.000 0.562 104 L N 0.085 121.315 121.223 0.011 0.000 2.127 104 L HA -0.105 4.236 4.340 0.001 0.000 0.211 104 L C 2.845 179.720 176.870 0.008 0.000 1.089 104 L CA 1.556 56.403 54.840 0.011 0.000 0.757 104 L CB -0.342 41.723 42.059 0.011 0.000 0.899 104 L HN 0.272 nan 8.230 nan 0.000 0.434 105 K N 0.100 120.504 120.400 0.007 0.000 2.148 105 K HA -0.120 4.200 4.320 0.001 0.000 0.204 105 K C 2.068 178.672 176.600 0.006 0.000 1.050 105 K CA 1.084 57.374 56.287 0.006 0.000 0.942 105 K CB 0.050 32.553 32.500 0.005 0.000 0.724 105 K HN 0.277 nan 8.250 nan 0.000 0.446 106 A N 0.276 123.100 122.820 0.007 0.000 1.970 106 A HA -0.024 4.297 4.320 0.001 0.000 0.216 106 A C 2.059 179.647 177.584 0.007 0.000 1.170 106 A CA 0.779 52.819 52.037 0.006 0.000 0.645 106 A CB -0.197 18.806 19.000 0.007 0.000 0.816 106 A HN 0.125 nan 8.150 nan 0.000 0.447 107 V N -0.008 119.911 119.914 0.008 0.000 2.407 107 V HA -0.232 3.888 4.120 0.001 0.000 0.248 107 V C 2.933 179.032 176.094 0.008 0.000 1.055 107 V CA 1.805 64.111 62.300 0.010 0.000 1.049 107 V CB -1.057 30.774 31.823 0.013 0.000 0.662 107 V HN 0.575 nan 8.190 nan 0.000 0.455 108 A N -0.188 122.636 122.820 0.007 0.000 2.119 108 A HA 0.107 4.428 4.320 0.001 0.000 0.217 108 A C 2.239 179.825 177.584 0.004 0.000 1.153 108 A CA 1.410 53.450 52.037 0.005 0.000 0.692 108 A CB -0.427 18.575 19.000 0.004 0.000 0.799 108 A HN 0.554 nan 8.150 nan 0.000 0.458 109 A N -1.656 121.166 122.820 0.004 0.000 2.208 109 A HA 0.404 4.724 4.320 0.001 0.000 0.209 109 A C 1.713 179.298 177.584 0.003 0.000 1.161 109 A CA 1.204 53.243 52.037 0.003 0.000 0.782 109 A CB -0.719 18.282 19.000 0.003 0.000 0.816 109 A HN 1.799 nan 8.150 nan 0.000 0.477 110 G N -1.706 107.096 108.800 0.004 0.000 2.130 110 G HA2 -0.213 3.748 3.960 0.001 0.000 0.216 110 G HA3 -0.213 3.748 3.960 0.001 0.000 0.216 110 G C 0.091 174.994 174.900 0.004 0.000 0.999 110 G CA 0.224 45.326 45.100 0.004 0.000 0.686 110 G HN 0.363 nan 8.290 nan 0.000 0.515 111 M N 0.347 119.950 119.600 0.005 0.000 2.228 111 M HA 0.301 4.782 4.480 0.001 0.000 0.326 111 M C 0.783 177.087 176.300 0.008 0.000 1.122 111 M CA -0.565 54.738 55.300 0.006 0.000 1.161 111 M CB 0.477 33.081 32.600 0.006 0.000 1.437 111 M HN 0.198 nan 8.290 nan 0.000 0.465 112 N N 2.355 121.060 118.700 0.008 0.000 2.401 112 N HA 0.174 4.915 4.740 0.001 0.000 0.255 112 N C -2.262 173.254 175.510 0.011 0.000 1.110 112 N CA -1.802 51.254 53.050 0.009 0.000 0.949 112 N CB 0.838 39.330 38.487 0.008 0.000 1.110 112 N HN 0.192 nan 8.380 nan 0.000 0.490 113 P HA -0.180 nan 4.420 nan 0.000 0.215 113 P C 1.613 178.921 177.300 0.014 0.000 1.157 113 P CA 1.231 64.340 63.100 0.015 0.000 0.874 113 P CB 0.136 31.847 31.700 0.018 0.000 0.790 114 M N -0.736 118.872 119.600 0.014 0.000 2.202 114 M HA -0.163 4.317 4.480 0.001 0.000 0.262 114 M C 1.236 177.542 176.300 0.011 0.000 1.063 114 M CA 1.706 57.014 55.300 0.013 0.000 1.097 114 M CB -1.521 31.087 32.600 0.013 0.000 1.382 114 M HN -0.044 nan 8.290 nan 0.000 0.413 115 D N -0.344 120.062 120.400 0.010 0.000 2.194 115 D HA 0.010 4.650 4.640 0.001 0.000 0.204 115 D C 2.207 178.511 176.300 0.008 0.000 0.964 115 D CA 0.616 54.620 54.000 0.008 0.000 0.846 115 D CB 0.040 40.844 40.800 0.007 0.000 0.962 115 D HN 0.317 nan 8.370 nan 0.000 0.490 116 L N 0.709 121.937 121.223 0.009 0.000 2.056 116 L HA -0.158 4.183 4.340 0.001 0.000 0.207 116 L C 2.469 179.345 176.870 0.009 0.000 1.078 116 L CA 1.055 55.900 54.840 0.009 0.000 0.749 116 L CB -0.247 41.818 42.059 0.010 0.000 0.901 116 L HN -0.000 nan 8.230 nan 0.000 0.433 117 K N 0.377 120.783 120.400 0.011 0.000 1.991 117 K HA -0.208 4.112 4.320 0.001 0.000 0.212 117 K C 2.272 178.877 176.600 0.009 0.000 1.049 117 K CA 1.421 57.714 56.287 0.011 0.000 0.932 117 K CB -0.078 32.430 32.500 0.013 0.000 0.717 117 K HN 0.123 nan 8.250 nan 0.000 0.441 118 R N -0.196 120.309 120.500 0.008 0.000 2.119 118 R HA -0.164 4.176 4.340 0.001 0.000 0.246 118 R C 2.471 178.774 176.300 0.005 0.000 1.146 118 R CA 1.636 57.740 56.100 0.006 0.000 0.962 118 R CB -0.833 29.471 30.300 0.006 0.000 0.863 118 R HN 0.507 nan 8.270 nan 0.000 0.442 119 G N 1.384 110.187 108.800 0.005 0.000 2.433 119 G HA2 -0.231 3.729 3.960 0.001 0.000 0.216 119 G HA3 -0.231 3.729 3.960 0.001 0.000 0.216 119 G C 1.521 176.423 174.900 0.004 0.000 1.186 119 G CA 0.668 45.770 45.100 0.004 0.000 0.779 119 G HN 0.172 nan 8.290 nan 0.000 0.543 120 I N 1.186 121.759 120.570 0.005 0.000 2.145 120 I HA -0.214 3.956 4.170 0.001 0.000 0.244 120 I C 2.360 178.478 176.117 0.002 0.000 1.075 120 I CA 1.577 62.880 61.300 0.005 0.000 1.332 120 I CB -0.154 37.851 38.000 0.007 0.000 1.033 120 I HN 0.075 nan 8.210 nan 0.000 0.410 121 D N 0.418 120.819 120.400 0.002 0.000 2.117 121 D HA -0.188 4.452 4.640 0.001 0.000 0.198 121 D C 2.069 178.366 176.300 -0.004 0.000 0.982 121 D CA 1.127 55.126 54.000 -0.002 0.000 0.828 121 D CB -0.214 40.586 40.800 0.000 0.000 0.967 121 D HN 0.283 nan 8.370 nan 0.000 0.464 122 K N 1.001 121.400 120.400 -0.002 0.000 2.009 122 K HA -0.158 4.162 4.320 0.001 0.000 0.210 122 K C 2.067 178.665 176.600 -0.003 0.000 1.049 122 K CA 1.600 57.885 56.287 -0.002 0.000 0.929 122 K CB -0.178 32.322 32.500 -0.000 0.000 0.714 122 K HN 0.004 nan 8.250 nan 0.000 0.440 123 A N 0.499 123.318 122.820 -0.002 0.000 1.903 123 A HA -0.196 4.124 4.320 0.001 0.000 0.219 123 A C 2.299 179.880 177.584 -0.005 0.000 1.191 123 A CA 2.201 54.237 52.037 -0.002 0.000 0.638 123 A CB -0.902 18.099 19.000 0.000 0.000 0.823 123 A HN 0.225 nan 8.150 nan 0.000 0.451 124 V N -0.577 119.332 119.914 -0.008 0.000 2.323 124 V HA -0.186 3.935 4.120 0.001 0.000 0.244 124 V C 2.703 178.785 176.094 -0.019 0.000 1.041 124 V CA 2.332 64.624 62.300 -0.015 0.000 1.025 124 V CB -1.175 30.637 31.823 -0.019 0.000 0.656 124 V HN 0.635 nan 8.190 nan 0.000 0.451 125 T N 0.544 115.088 114.554 -0.017 0.000 2.803 125 T HA -0.194 4.156 4.350 0.001 0.000 0.269 125 T C 1.954 176.645 174.700 -0.014 0.000 1.052 125 T CA 1.598 63.687 62.100 -0.018 0.000 1.136 125 T CB -0.348 68.512 68.868 -0.013 0.000 0.864 125 T HN 0.568 nan 8.240 nan 0.000 0.467 126 A N 1.330 124.144 122.820 -0.010 0.000 1.874 126 A HA 0.378 4.699 4.320 0.001 0.000 0.214 126 A C 2.688 180.267 177.584 -0.007 0.000 1.189 126 A CA 1.376 53.409 52.037 -0.007 0.000 0.615 126 A CB -1.105 17.892 19.000 -0.004 0.000 0.830 126 A HN 0.480 nan 8.150 nan 0.000 0.443 127 A N -0.374 122.442 122.820 -0.008 0.000 1.940 127 A HA -0.040 4.281 4.320 0.001 0.000 0.219 127 A C 2.190 179.768 177.584 -0.010 0.000 1.176 127 A CA 1.912 53.944 52.037 -0.007 0.000 0.631 127 A CB -0.877 18.119 19.000 -0.007 0.000 0.814 127 A HN 0.391 nan 8.150 nan 0.000 0.446 128 V N -0.187 119.717 119.914 -0.017 0.000 2.358 128 V HA -0.176 3.944 4.120 0.001 0.000 0.246 128 V C 2.584 178.669 176.094 -0.015 0.000 1.047 128 V CA 2.055 64.342 62.300 -0.022 0.000 1.035 128 V CB -0.697 31.106 31.823 -0.034 0.000 0.658 128 V HN 0.451 nan 8.190 nan 0.000 0.452 129 E N 0.043 120.236 120.200 -0.011 0.000 2.058 129 E HA -0.187 4.163 4.350 0.001 0.000 0.194 129 E C 2.319 178.917 176.600 -0.003 0.000 0.997 129 E CA 1.060 57.455 56.400 -0.007 0.000 0.801 129 E CB -0.361 29.336 29.700 -0.006 0.000 0.746 129 E HN 0.491 nan 8.360 nan 0.000 0.450 130 E N 0.410 120.609 120.200 -0.002 0.000 2.058 130 E HA -0.159 4.191 4.350 0.001 0.000 0.194 130 E C 2.392 178.994 176.600 0.003 0.000 0.997 130 E CA 0.658 57.059 56.400 0.001 0.000 0.801 130 E CB -0.417 29.284 29.700 0.002 0.000 0.746 130 E HN 0.279 nan 8.360 nan 0.000 0.450 131 L N 0.666 121.889 121.223 0.000 0.000 2.012 131 L HA -0.213 4.127 4.340 0.001 0.000 0.210 131 L C 2.437 179.309 176.870 0.002 0.000 1.073 131 L CA 1.438 56.279 54.840 0.002 0.000 0.748 131 L CB -0.388 41.670 42.059 -0.002 0.000 0.891 131 L HN 0.060 nan 8.230 nan 0.000 0.431 132 K N -0.181 120.219 120.400 -0.001 0.000 2.280 132 K HA -0.121 4.200 4.320 0.001 0.000 0.202 132 K C 2.074 178.676 176.600 0.003 0.000 1.047 132 K CA 1.098 57.385 56.287 0.000 0.000 0.942 132 K CB -0.152 32.347 32.500 -0.002 0.000 0.739 132 K HN 0.332 nan 8.250 nan 0.000 0.457 133 A N 0.687 123.509 122.820 0.003 0.000 1.935 133 A HA -0.041 4.280 4.320 0.001 0.000 0.214 133 A C 1.904 179.492 177.584 0.008 0.000 1.178 133 A CA 0.777 52.817 52.037 0.005 0.000 0.640 133 A CB -0.140 18.863 19.000 0.005 0.000 0.825 133 A HN 0.098 nan 8.150 nan 0.000 0.447 134 L N -0.099 121.130 121.223 0.009 0.000 2.313 134 L HA 0.113 4.453 4.340 0.001 0.000 0.214 134 L C 1.441 178.319 176.870 0.013 0.000 1.119 134 L CA 0.765 55.612 54.840 0.013 0.000 0.809 134 L CB -0.465 41.603 42.059 0.015 0.000 0.933 134 L HN 0.248 nan 8.230 nan 0.000 0.449 135 S N -0.507 115.199 115.700 0.011 0.000 2.537 135 S HA 0.285 4.756 4.470 0.001 0.000 0.286 135 S C -0.257 174.350 174.600 0.010 0.000 1.299 135 S CA -0.389 57.818 58.200 0.011 0.000 1.067 135 S CB 0.160 63.365 63.200 0.009 0.000 0.864 135 S HN 0.117 nan 8.310 nan 0.000 0.494 136 V N 3.892 123.813 119.914 0.011 0.000 2.628 136 V HA 0.728 4.849 4.120 0.001 0.000 0.306 136 V C -2.795 173.305 176.094 0.010 0.000 1.045 136 V CA -2.851 59.455 62.300 0.011 0.000 0.905 136 V CB 1.119 32.949 31.823 0.012 0.000 0.997 136 V HN 0.608 nan 8.190 nan 0.000 0.436 137 P HA 0.169 nan 4.420 nan 0.000 0.266 137 P C -0.557 176.749 177.300 0.009 0.000 1.195 137 P CA -0.015 63.090 63.100 0.008 0.000 0.768 137 P CB 0.409 32.113 31.700 0.007 0.000 0.838 138 C N 3.384 122.689 119.300 0.009 0.000 2.264 138 C HA 0.528 4.989 4.460 0.001 0.000 0.322 138 C C 1.305 176.300 174.990 0.007 0.000 1.210 138 C CA 0.554 59.577 59.018 0.009 0.000 1.539 138 C CB -1.249 26.498 27.740 0.011 0.000 2.167 138 C HN 0.704 nan 8.230 nan 0.000 0.463 139 S N 2.375 118.078 115.700 0.006 0.000 2.691 139 S HA 0.175 4.646 4.470 0.001 0.000 0.258 139 S C -0.062 174.541 174.600 0.004 0.000 1.078 139 S CA 0.256 58.459 58.200 0.005 0.000 1.000 139 S CB -0.473 62.729 63.200 0.004 0.000 0.942 139 S HN 0.843 nan 8.310 nan 0.000 0.521 140 D N 1.602 122.005 120.400 0.004 0.000 2.344 140 D HA 0.448 5.089 4.640 0.001 0.000 0.244 140 D C 0.892 177.194 176.300 0.003 0.000 1.134 140 D CA -0.259 53.743 54.000 0.003 0.000 0.930 140 D CB 0.817 41.619 40.800 0.003 0.000 1.175 140 D HN -0.026 nan 8.370 nan 0.000 0.437 141 S N -0.211 115.491 115.700 0.002 0.000 2.419 141 S HA -0.174 4.296 4.470 0.001 0.000 0.233 141 S C 1.550 176.151 174.600 0.002 0.000 1.016 141 S CA 0.982 59.182 58.200 0.001 0.000 0.974 141 S CB -0.350 62.850 63.200 0.000 0.000 0.786 141 S HN 0.622 nan 8.310 nan 0.000 0.492 142 K N 1.211 121.612 120.400 0.002 0.000 2.031 142 K HA -0.001 4.319 4.320 0.001 0.000 0.205 142 K C 2.195 178.796 176.600 0.003 0.000 1.049 142 K CA 1.180 57.469 56.287 0.002 0.000 0.939 142 K CB -0.390 32.112 32.500 0.002 0.000 0.717 142 K HN 0.265 nan 8.250 nan 0.000 0.438 143 A N 1.793 124.615 122.820 0.004 0.000 1.877 143 A HA -0.125 4.195 4.320 0.001 0.000 0.216 143 A C 2.141 179.729 177.584 0.006 0.000 1.186 143 A CA 1.524 53.564 52.037 0.006 0.000 0.620 143 A CB -0.653 18.351 19.000 0.007 0.000 0.822 143 A HN 0.371 nan 8.150 nan 0.000 0.443 144 I N -0.143 120.430 120.570 0.006 0.000 2.151 144 I HA -0.356 3.814 4.170 0.001 0.000 0.243 144 I C 2.976 179.096 176.117 0.006 0.000 1.080 144 I CA 1.323 62.627 61.300 0.006 0.000 1.339 144 I CB -0.467 37.535 38.000 0.004 0.000 1.039 144 I HN 0.387 nan 8.210 nan 0.000 0.409 145 A N -0.153 122.669 122.820 0.004 0.000 1.978 145 A HA -0.275 4.046 4.320 0.001 0.000 0.220 145 A C 2.220 179.806 177.584 0.003 0.000 1.170 145 A CA 1.704 53.743 52.037 0.003 0.000 0.636 145 A CB -0.562 18.439 19.000 0.001 0.000 0.810 145 A HN 0.499 nan 8.150 nan 0.000 0.448 146 Q N -0.922 118.880 119.800 0.003 0.000 2.123 146 Q HA -0.067 4.274 4.340 0.001 0.000 0.199 146 Q C 2.249 178.252 176.000 0.005 0.000 0.966 146 Q CA 1.547 57.352 55.803 0.003 0.000 0.845 146 Q CB -0.286 28.454 28.738 0.002 0.000 0.907 146 Q HN 0.671 nan 8.270 nan 0.000 0.439 147 V N -0.733 119.187 119.914 0.009 0.000 2.307 147 V HA -0.083 4.037 4.120 0.001 0.000 0.245 147 V C 1.895 177.998 176.094 0.015 0.000 1.045 147 V CA 2.314 64.621 62.300 0.013 0.000 1.024 147 V CB -1.172 30.661 31.823 0.017 0.000 0.651 147 V HN 0.399 nan 8.190 nan 0.000 0.449 148 G N -0.115 108.693 108.800 0.014 0.000 2.599 148 G HA2 -0.345 3.616 3.960 0.001 0.000 0.219 148 G HA3 -0.345 3.616 3.960 0.001 0.000 0.219 148 G C 1.640 176.547 174.900 0.012 0.000 1.193 148 G CA 1.984 47.093 45.100 0.015 0.000 0.778 148 G HN 0.519 nan 8.290 nan 0.000 0.589 149 T N 0.828 115.386 114.554 0.007 0.000 2.684 149 T HA -0.131 4.220 4.350 0.001 0.000 0.267 149 T C 2.356 177.057 174.700 0.002 0.000 1.036 149 T CA 1.277 63.378 62.100 0.003 0.000 1.148 149 T CB -0.184 68.683 68.868 -0.002 0.000 0.863 149 T HN 0.154 nan 8.240 nan 0.000 0.436 150 I N 0.643 121.214 120.570 0.002 0.000 2.315 150 I HA -0.107 4.064 4.170 0.001 0.000 0.248 150 I C 2.614 178.735 176.117 0.006 0.000 1.117 150 I CA 0.910 62.211 61.300 0.001 0.000 1.404 150 I CB -0.302 37.698 38.000 0.001 0.000 1.071 150 I HN 0.133 nan 8.210 nan 0.000 0.419 151 S N 0.190 115.897 115.700 0.013 0.000 2.382 151 S HA -0.030 4.441 4.470 0.001 0.000 0.228 151 S C 1.770 176.380 174.600 0.017 0.000 1.027 151 S CA 0.968 59.179 58.200 0.019 0.000 0.991 151 S CB -0.321 62.896 63.200 0.029 0.000 0.823 151 S HN 0.448 nan 8.310 nan 0.000 0.469 152 A N 1.339 124.167 122.820 0.014 0.000 2.840 152 A HA 0.348 4.669 4.320 0.001 0.000 0.269 152 A C 0.603 178.190 177.584 0.005 0.000 1.439 152 A CA 0.003 52.047 52.037 0.012 0.000 1.083 152 A CB -1.453 17.554 19.000 0.011 0.000 1.019 152 A HN 0.771 nan 8.150 nan 0.000 0.607 153 N N 0.297 118.999 118.700 0.004 0.000 2.716 153 N HA -0.245 4.495 4.740 0.001 0.000 0.250 153 N C -0.122 175.384 175.510 -0.006 0.000 1.033 153 N CA 0.499 53.548 53.050 -0.002 0.000 0.727 153 N CB -0.734 37.752 38.487 -0.001 0.000 0.950 153 N HN 0.511 nan 8.380 nan 0.000 0.541 154 S N -0.789 114.907 115.700 -0.007 0.000 3.787 154 S HA -0.173 4.297 4.470 0.001 0.000 0.321 154 S C -0.687 173.908 174.600 -0.009 0.000 1.119 154 S CA 0.719 58.912 58.200 -0.012 0.000 0.918 154 S CB -0.783 62.405 63.200 -0.019 0.000 0.913 154 S HN 0.632 nan 8.310 nan 0.000 0.506 155 D N 1.236 121.633 120.400 -0.005 0.000 2.467 155 D HA 0.283 4.924 4.640 0.001 0.000 0.220 155 D C 1.131 177.430 176.300 -0.002 0.000 1.103 155 D CA -0.399 53.599 54.000 -0.003 0.000 0.886 155 D CB 0.535 41.335 40.800 0.000 0.000 1.025 155 D HN 0.428 nan 8.370 nan 0.000 0.514 156 E N 0.866 121.063 120.200 -0.005 0.000 2.209 156 E HA -0.140 4.210 4.350 0.001 0.000 0.196 156 E C 1.181 177.780 176.600 -0.002 0.000 0.993 156 E CA 1.159 57.556 56.400 -0.004 0.000 0.819 156 E CB 0.384 30.080 29.700 -0.006 0.000 0.745 156 E HN 0.470 nan 8.360 nan 0.000 0.477 157 T N 0.285 114.838 114.554 -0.002 0.000 2.857 157 T HA -0.073 4.278 4.350 0.001 0.000 0.266 157 T C 2.137 176.838 174.700 0.001 0.000 1.048 157 T CA 0.754 62.853 62.100 -0.001 0.000 1.139 157 T CB -0.082 68.785 68.868 -0.001 0.000 0.874 157 T HN -0.011 nan 8.240 nan 0.000 0.455 158 V N 1.756 121.671 119.914 0.002 0.000 2.307 158 V HA -0.050 4.070 4.120 0.001 0.000 0.245 158 V C 2.937 179.033 176.094 0.004 0.000 1.045 158 V CA 1.892 64.195 62.300 0.005 0.000 1.024 158 V CB -1.506 30.322 31.823 0.008 0.000 0.651 158 V HN 0.569 nan 8.190 nan 0.000 0.449 159 G N 0.574 109.376 108.800 0.004 0.000 2.476 159 G HA2 -0.391 3.569 3.960 0.001 0.000 0.218 159 G HA3 -0.391 3.569 3.960 0.001 0.000 0.218 159 G C 1.586 176.487 174.900 0.002 0.000 1.164 159 G CA 1.466 46.568 45.100 0.003 0.000 0.768 159 G HN 0.564 nan 8.290 nan 0.000 0.560 160 K N -0.306 120.095 120.400 0.001 0.000 2.097 160 K HA 0.051 4.372 4.320 0.001 0.000 0.206 160 K C 2.317 178.917 176.600 -0.001 0.000 1.049 160 K CA 1.001 57.288 56.287 -0.000 0.000 0.933 160 K CB -0.403 32.096 32.500 -0.001 0.000 0.717 160 K HN 0.229 nan 8.250 nan 0.000 0.442 161 L N 0.945 122.168 121.223 -0.000 0.000 2.072 161 L HA 0.041 4.381 4.340 0.001 0.000 0.205 161 L C 2.042 178.911 176.870 -0.002 0.000 1.079 161 L CA 1.377 56.216 54.840 -0.001 0.000 0.752 161 L CB -0.255 41.804 42.059 0.000 0.000 0.906 161 L HN 0.280 nan 8.230 nan 0.000 0.436 162 I N -1.042 119.527 120.570 -0.001 0.000 2.142 162 I HA -0.330 3.840 4.170 0.001 0.000 0.240 162 I C 2.571 178.686 176.117 -0.003 0.000 1.078 162 I CA 1.266 62.565 61.300 -0.003 0.000 1.343 162 I CB -0.536 37.465 38.000 0.000 0.000 1.046 162 I HN 0.284 nan 8.210 nan 0.000 0.405 163 A N 0.162 122.981 122.820 -0.001 0.000 1.892 163 A HA -0.292 4.029 4.320 0.001 0.000 0.218 163 A C 2.252 179.835 177.584 -0.002 0.000 1.188 163 A CA 2.028 54.064 52.037 -0.001 0.000 0.631 163 A CB -0.749 18.251 19.000 -0.000 0.000 0.822 163 A HN 0.461 nan 8.150 nan 0.000 0.447 164 E N -0.648 119.551 120.200 -0.002 0.000 2.058 164 E HA -0.182 4.169 4.350 0.001 0.000 0.194 164 E C 2.405 179.003 176.600 -0.004 0.000 0.997 164 E CA 1.077 57.476 56.400 -0.003 0.000 0.801 164 E CB -0.283 29.416 29.700 -0.003 0.000 0.746 164 E HN 0.623 nan 8.360 nan 0.000 0.450 165 A N 1.245 124.062 122.820 -0.005 0.000 1.858 165 A HA -0.198 4.122 4.320 0.001 0.000 0.216 165 A C 2.194 179.774 177.584 -0.007 0.000 1.190 165 A CA 1.503 53.536 52.037 -0.006 0.000 0.617 165 A CB -0.524 18.471 19.000 -0.008 0.000 0.827 165 A HN 0.162 nan 8.150 nan 0.000 0.443 166 M N -0.812 118.783 119.600 -0.008 0.000 2.144 166 M HA -0.215 4.265 4.480 0.001 0.000 0.260 166 M C 1.847 178.144 176.300 -0.006 0.000 1.067 166 M CA 2.143 57.438 55.300 -0.008 0.000 1.095 166 M CB -0.784 31.812 32.600 -0.007 0.000 1.365 166 M HN 0.511 nan 8.290 nan 0.000 0.406 167 D N 0.185 120.582 120.400 -0.004 0.000 2.178 167 D HA -0.126 4.514 4.640 0.001 0.000 0.201 167 D C 1.896 178.194 176.300 -0.004 0.000 0.980 167 D CA 1.344 55.342 54.000 -0.003 0.000 0.842 167 D CB 0.254 41.052 40.800 -0.003 0.000 0.948 167 D HN 0.159 nan 8.370 nan 0.000 0.472 168 K N -0.769 119.628 120.400 -0.004 0.000 2.141 168 K HA 0.053 4.374 4.320 0.001 0.000 0.202 168 K C 1.929 178.526 176.600 -0.004 0.000 1.045 168 K CA 0.804 57.088 56.287 -0.004 0.000 0.971 168 K CB 0.193 32.691 32.500 -0.004 0.000 0.795 168 K HN 0.092 nan 8.250 nan 0.000 0.459 169 V N -1.834 118.077 119.914 -0.005 0.000 3.141 169 V HA 0.229 4.350 4.120 0.001 0.000 0.265 169 V C 0.977 177.067 176.094 -0.006 0.000 1.126 169 V CA 0.712 63.009 62.300 -0.006 0.000 1.141 169 V CB -1.235 30.583 31.823 -0.007 0.000 0.743 169 V HN 0.419 nan 8.190 nan 0.000 0.492 170 G N 1.044 109.841 108.800 -0.006 0.000 2.527 170 G HA2 -0.253 3.707 3.960 0.001 0.000 0.227 170 G HA3 -0.253 3.707 3.960 0.001 0.000 0.227 170 G C 0.310 175.205 174.900 -0.007 0.000 1.291 170 G CA 0.304 45.401 45.100 -0.006 0.000 0.904 170 G HN 0.402 nan 8.290 nan 0.000 0.577 171 K N 0.397 120.793 120.400 -0.006 0.000 2.202 171 K HA 0.178 4.499 4.320 0.001 0.000 0.201 171 K C 1.586 178.181 176.600 -0.009 0.000 1.051 171 K CA 1.177 57.460 56.287 -0.007 0.000 0.977 171 K CB 0.329 32.826 32.500 -0.005 0.000 0.792 171 K HN 0.489 nan 8.250 nan 0.000 0.469 172 E N 0.983 121.178 120.200 -0.009 0.000 2.423 172 E HA 0.107 4.458 4.350 0.001 0.000 0.198 172 E C -0.213 176.380 176.600 -0.012 0.000 1.038 172 E CA -0.499 55.894 56.400 -0.011 0.000 1.011 172 E CB 0.964 30.658 29.700 -0.011 0.000 1.118 172 E HN 0.196 nan 8.360 nan 0.000 0.451 173 G N 0.383 109.175 108.800 -0.012 0.000 2.400 173 G HA2 0.437 4.398 3.960 0.001 0.000 0.333 173 G HA3 0.437 4.398 3.960 0.001 0.000 0.333 173 G C -0.184 174.707 174.900 -0.015 0.000 1.143 173 G CA -0.469 44.624 45.100 -0.012 0.000 0.914 173 G HN 0.008 nan 8.290 nan 0.000 0.480 174 V N 1.292 121.197 119.914 -0.014 0.000 2.644 174 V HA 0.522 4.643 4.120 0.001 0.000 0.295 174 V C 0.015 176.098 176.094 -0.019 0.000 1.053 174 V CA -0.532 61.757 62.300 -0.019 0.000 0.987 174 V CB 1.341 33.156 31.823 -0.014 0.000 1.006 174 V HN 0.568 nan 8.190 nan 0.000 0.472 175 I N 3.137 123.690 120.570 -0.028 0.000 2.447 175 I HA 0.523 4.694 4.170 0.001 0.000 0.287 175 I C -0.002 176.097 176.117 -0.031 0.000 1.023 175 I CA -0.123 61.161 61.300 -0.027 0.000 1.083 175 I CB 2.277 40.258 38.000 -0.031 0.000 1.245 175 I HN 0.806 nan 8.210 nan 0.000 0.434 176 T N 2.901 117.445 114.554 -0.016 0.000 2.908 176 T HA 0.718 5.068 4.350 0.001 0.000 0.290 176 T C -0.591 174.107 174.700 -0.003 0.000 1.034 176 T CA -0.915 61.179 62.100 -0.010 0.000 1.010 176 T CB 2.297 71.166 68.868 0.002 0.000 1.068 176 T HN 0.361 nan 8.240 nan 0.000 0.481 177 V N 1.235 121.151 119.914 0.004 0.000 2.540 177 V HA 0.837 4.957 4.120 0.001 0.000 0.302 177 V C -1.021 175.082 176.094 0.015 0.000 1.035 177 V CA -0.613 61.693 62.300 0.010 0.000 0.873 177 V CB 1.174 33.005 31.823 0.014 0.000 0.992 177 V HN 1.186 nan 8.190 nan 0.000 0.428 178 E N 3.146 123.353 120.200 0.012 0.000 2.446 178 E HA 0.514 4.864 4.350 0.001 0.000 0.276 178 E C -1.699 174.908 176.600 0.011 0.000 0.969 178 E CA -1.113 55.294 56.400 0.013 0.000 0.800 178 E CB 1.341 31.047 29.700 0.011 0.000 1.341 178 E HN 0.540 nan 8.360 nan 0.000 0.460 179 D N 0.813 121.220 120.400 0.011 0.000 2.455 179 D HA 0.247 4.887 4.640 0.001 0.000 0.241 179 D C 0.169 176.473 176.300 0.007 0.000 1.138 179 D CA 0.458 54.464 54.000 0.009 0.000 0.877 179 D CB 1.057 41.862 40.800 0.010 0.000 1.187 179 D HN 0.559 nan 8.370 nan 0.000 0.451 180 G N 0.080 108.883 108.800 0.006 0.000 2.502 180 G HA2 0.349 4.309 3.960 0.001 0.000 0.305 180 G HA3 0.349 4.309 3.960 0.001 0.000 0.305 180 G C 1.084 175.986 174.900 0.003 0.000 1.190 180 G CA -0.288 44.814 45.100 0.003 0.000 0.933 180 G HN 0.418 nan 8.290 nan 0.000 0.503 181 T N -1.394 113.161 114.554 0.001 0.000 2.809 181 T HA 0.207 4.557 4.350 0.001 0.000 0.260 181 T C 1.508 176.208 174.700 0.001 0.000 1.039 181 T CA 1.023 63.123 62.100 0.001 0.000 1.141 181 T CB -0.309 68.559 68.868 -0.001 0.000 0.869 181 T HN 0.716 nan 8.240 nan 0.000 0.437 182 G N 0.322 109.122 108.800 0.001 0.000 2.782 182 G HA2 0.575 4.536 3.960 0.001 0.000 0.201 182 G HA3 0.575 4.536 3.960 0.001 0.000 0.201 182 G C 0.444 175.345 174.900 0.001 0.000 1.374 182 G CA -0.613 44.487 45.100 0.001 0.000 1.039 182 G HN 0.284 nan 8.290 nan 0.000 0.576 183 L N -0.446 120.777 121.223 0.001 0.000 2.463 183 L HA 0.173 4.513 4.340 0.001 0.000 0.219 183 L C 0.475 177.346 176.870 0.001 0.000 1.088 183 L CA 0.529 55.370 54.840 0.001 0.000 0.849 183 L CB -0.124 41.935 42.059 0.000 0.000 1.012 183 L HN 0.413 nan 8.230 nan 0.000 0.468 184 Q N -0.226 119.574 119.800 0.001 0.000 2.226 184 Q HA 0.286 4.626 4.340 0.001 0.000 0.256 184 Q C -0.721 175.279 176.000 0.001 0.000 0.962 184 Q CA -0.602 55.201 55.803 0.000 0.000 0.887 184 Q CB 0.792 29.530 28.738 -0.000 0.000 1.282 184 Q HN -0.059 nan 8.270 nan 0.000 0.449 185 D N 1.351 121.752 120.400 0.001 0.000 2.382 185 D HA 0.101 4.741 4.640 0.001 0.000 0.245 185 D C -0.545 175.755 176.300 0.000 0.000 1.120 185 D CA 0.225 54.226 54.000 0.001 0.000 0.890 185 D CB 0.866 41.667 40.800 0.002 0.000 1.201 185 D HN 0.513 nan 8.370 nan 0.000 0.433 186 E N 1.143 121.343 120.200 0.000 0.000 2.290 186 E HA 0.358 4.708 4.350 0.001 0.000 0.274 186 E C -1.687 174.912 176.600 -0.001 0.000 0.889 186 E CA -0.826 55.574 56.400 -0.001 0.000 0.760 186 E CB 1.781 31.481 29.700 -0.001 0.000 1.206 186 E HN 0.161 nan 8.360 nan 0.000 0.419 187 L N 4.156 125.378 121.223 -0.002 0.000 2.287 187 L HA 0.494 4.834 4.340 0.001 0.000 0.287 187 L C -1.327 175.541 176.870 -0.003 0.000 1.022 187 L CA -0.201 54.638 54.840 -0.003 0.000 0.814 187 L CB 1.294 43.351 42.059 -0.003 0.000 1.217 187 L HN 0.417 nan 8.230 nan 0.000 0.420 188 D N 3.975 124.373 120.400 -0.004 0.000 2.192 188 D HA 0.523 5.163 4.640 0.001 0.000 0.246 188 D C -0.989 175.309 176.300 -0.005 0.000 1.042 188 D CA 0.002 53.999 54.000 -0.005 0.000 0.847 188 D CB 2.473 43.270 40.800 -0.005 0.000 1.186 188 D HN 0.293 nan 8.370 nan 0.000 0.461 189 V N 2.490 122.402 119.914 -0.005 0.000 2.447 189 V HA 0.184 4.304 4.120 0.001 0.000 0.292 189 V C -0.031 176.060 176.094 -0.004 0.000 1.021 189 V CA -0.862 61.435 62.300 -0.004 0.000 0.850 189 V CB 1.889 33.710 31.823 -0.004 0.000 1.005 189 V HN 0.280 nan 8.190 nan 0.000 0.426 190 V N 4.624 124.536 119.914 -0.003 0.000 2.455 190 V HA 0.291 4.412 4.120 0.001 0.000 0.273 190 V C 0.418 176.512 176.094 0.001 0.000 1.045 190 V CA -0.401 61.898 62.300 -0.003 0.000 0.976 190 V CB 0.996 32.818 31.823 -0.001 0.000 0.993 190 V HN 0.750 nan 8.190 nan 0.000 0.475 191 E N 3.503 123.703 120.200 -0.000 0.000 2.227 191 E HA 0.542 4.893 4.350 0.001 0.000 0.282 191 E C 0.756 177.360 176.600 0.007 0.000 1.015 191 E CA 0.814 57.216 56.400 0.002 0.000 0.823 191 E CB 1.631 31.331 29.700 -0.000 0.000 1.081 191 E HN 0.960 nan 8.360 nan 0.000 0.396 192 G N 3.182 111.987 108.800 0.009 0.000 2.525 192 G HA2 -0.299 3.661 3.960 0.001 0.000 0.248 192 G HA3 -0.299 3.661 3.960 0.001 0.000 0.248 192 G C -0.156 174.760 174.900 0.026 0.000 1.238 192 G CA -0.015 45.094 45.100 0.016 0.000 0.926 192 G HN 0.511 nan 8.290 nan 0.000 0.574 193 M N 1.315 120.940 119.600 0.042 0.000 2.268 193 M HA 0.624 5.104 4.480 0.001 0.000 0.344 193 M C -0.277 176.085 176.300 0.103 0.000 1.106 193 M CA -0.470 54.874 55.300 0.072 0.000 1.010 193 M CB 1.389 34.038 32.600 0.081 0.000 1.649 193 M HN 0.876 nan 8.290 nan 0.000 0.443 194 Q N 5.028 124.901 119.800 0.122 0.000 2.320 194 Q HA 0.504 4.844 4.340 0.001 0.000 0.272 194 Q C -2.220 173.883 176.000 0.171 0.000 1.023 194 Q CA -0.667 55.191 55.803 0.091 0.000 0.855 194 Q CB 2.023 30.755 28.738 -0.010 0.000 1.367 194 Q HN 0.685 nan 8.270 nan 0.000 0.406 195 F N -0.239 119.702 119.950 -0.016 0.000 2.598 195 F HA 0.547 5.075 4.527 0.001 0.000 0.327 195 F C -0.276 175.514 175.800 -0.018 0.000 1.057 195 F CA -1.319 56.669 58.000 -0.020 0.000 0.957 195 F CB 0.929 39.913 39.000 -0.026 0.000 1.278 195 F HN 0.352 nan 8.300 nan 0.000 0.484 196 D N 1.908 122.371 120.400 0.105 0.000 2.600 196 D HA 0.155 4.796 4.640 0.001 0.000 0.226 196 D C -0.513 175.778 176.300 -0.015 0.000 1.119 196 D CA 0.423 54.428 54.000 0.009 0.000 1.051 196 D CB -0.018 40.817 40.800 0.058 0.000 1.106 196 D HN 0.354 nan 8.370 nan 0.000 0.491 197 R N 0.021 120.414 120.500 -0.179 0.000 2.510 197 R HA 0.433 4.774 4.340 0.001 0.000 0.294 197 R C -0.203 175.963 176.300 -0.223 0.000 1.056 197 R CA -0.511 55.499 56.100 -0.149 0.000 0.918 197 R CB 1.638 31.897 30.300 -0.067 0.000 1.187 197 R HN 0.201 nan 8.270 nan 0.000 0.437 198 G N 2.198 110.887 108.800 -0.186 0.000 2.451 198 G HA2 0.315 4.276 3.960 0.001 0.000 0.303 198 G HA3 0.315 4.276 3.960 0.001 0.000 0.303 198 G C -0.780 174.004 174.900 -0.192 0.000 1.166 198 G CA -0.521 44.387 45.100 -0.320 0.000 0.884 198 G HN 0.539 nan 8.290 nan 0.000 0.514 199 Y N -0.239 120.062 120.300 0.003 0.000 2.702 199 Y HA 0.202 4.753 4.550 0.001 0.000 0.336 199 Y C 1.157 177.070 175.900 0.023 0.000 1.235 199 Y CA -0.957 57.166 58.100 0.039 0.000 1.492 199 Y CB 0.307 38.817 38.460 0.083 0.000 1.308 199 Y HN 0.233 nan 8.280 nan 0.000 0.589 200 L N 1.544 122.907 121.223 0.232 0.000 2.270 200 L HA 0.016 4.356 4.340 0.001 0.000 0.210 200 L C 1.118 178.064 176.870 0.126 0.000 1.104 200 L CA 1.004 55.929 54.840 0.141 0.000 0.804 200 L CB 0.031 42.141 42.059 0.084 0.000 0.937 200 L HN 0.752 nan 8.230 nan 0.000 0.450 201 S N 0.308 116.086 115.700 0.131 0.000 2.532 201 S HA 0.289 4.760 4.470 0.001 0.000 0.318 201 S C -1.558 172.986 174.600 -0.094 0.000 1.083 201 S CA -1.617 56.605 58.200 0.037 0.000 1.131 201 S CB 0.833 64.058 63.200 0.041 0.000 0.973 201 S HN -0.052 nan 8.310 nan 0.000 0.468 202 P HA -0.060 nan 4.420 nan 0.000 0.223 202 P C 0.194 177.251 177.300 -0.405 0.000 1.151 202 P CA 0.726 63.504 63.100 -0.537 0.000 0.787 202 P CB -0.133 31.370 31.700 -0.329 0.000 0.788 203 Y N -1.227 119.020 120.300 -0.088 0.000 2.550 203 Y HA 0.180 4.730 4.550 0.001 0.000 0.351 203 Y C 1.493 177.417 175.900 0.041 0.000 1.160 203 Y CA -0.224 57.856 58.100 -0.035 0.000 1.337 203 Y CB -1.462 36.999 38.460 0.002 0.000 1.196 203 Y HN -0.007 nan 8.280 nan 0.000 0.498 204 F N -1.181 118.701 119.950 -0.113 0.000 2.856 204 F HA 0.371 4.898 4.527 0.001 0.000 0.338 204 F C 0.317 176.034 175.800 -0.137 0.000 1.100 204 F CA -0.409 57.532 58.000 -0.099 0.000 1.150 204 F CB 0.464 39.415 39.000 -0.082 0.000 1.101 204 F HN -0.204 nan 8.300 nan 0.000 0.548 205 I N 4.046 124.380 120.570 -0.394 0.000 2.845 205 I HA -0.153 4.017 4.170 0.001 0.000 0.290 205 I C 0.856 176.772 176.117 -0.334 0.000 1.202 205 I CA 0.467 61.538 61.300 -0.382 0.000 1.406 205 I CB 0.201 38.047 38.000 -0.256 0.000 1.383 205 I HN 0.362 nan 8.210 nan 0.000 0.549 206 N N 6.888 125.355 118.700 -0.389 0.000 2.295 206 N HA 0.044 4.785 4.740 0.001 0.000 0.221 206 N C -0.312 175.106 175.510 -0.152 0.000 1.129 206 N CA -0.137 52.749 53.050 -0.273 0.000 0.836 206 N CB 0.569 38.862 38.487 -0.323 0.000 1.040 206 N HN 0.464 nan 8.380 nan 0.000 0.494 207 K N 1.008 121.335 120.400 -0.122 0.000 2.790 207 K HA 0.252 4.573 4.320 0.001 0.000 0.253 207 K C -2.385 174.185 176.600 -0.050 0.000 1.082 207 K CA -1.015 55.230 56.287 -0.070 0.000 1.067 207 K CB 2.445 34.913 32.500 -0.054 0.000 1.284 207 K HN -0.139 nan 8.250 nan 0.000 0.529 208 P HA -0.082 nan 4.420 nan 0.000 0.230 208 P C 0.670 177.964 177.300 -0.011 0.000 1.158 208 P CA 0.912 63.998 63.100 -0.024 0.000 0.769 208 P CB 0.588 32.276 31.700 -0.020 0.000 0.807 209 E N -0.650 119.542 120.200 -0.013 0.000 2.047 209 E HA -0.119 4.232 4.350 0.001 0.000 0.191 209 E C 1.855 178.454 176.600 -0.003 0.000 0.987 209 E CA 1.984 58.379 56.400 -0.008 0.000 0.799 209 E CB -1.143 28.551 29.700 -0.011 0.000 0.752 209 E HN 0.335 nan 8.360 nan 0.000 0.449 210 T N -3.370 111.182 114.554 -0.003 0.000 3.065 210 T HA 0.253 4.603 4.350 0.001 0.000 0.252 210 T C 1.465 176.176 174.700 0.019 0.000 1.099 210 T CA 0.256 62.358 62.100 0.004 0.000 1.063 210 T CB 0.281 69.148 68.868 -0.001 0.000 0.948 210 T HN 0.271 nan 8.240 nan 0.000 0.506 211 G N 1.181 109.995 108.800 0.023 0.000 2.246 211 G HA2 0.143 4.104 3.960 0.001 0.000 0.273 211 G HA3 0.143 4.104 3.960 0.001 0.000 0.273 211 G C 0.050 175.019 174.900 0.115 0.000 1.055 211 G CA -0.079 45.054 45.100 0.054 0.000 0.851 211 G HN 1.236 nan 8.290 nan 0.000 0.500 212 A N -1.318 121.544 122.820 0.069 0.000 2.539 212 A HA 0.877 5.197 4.320 0.001 0.000 0.296 212 A C -0.222 177.372 177.584 0.016 0.000 1.073 212 A CA -0.233 51.868 52.037 0.107 0.000 0.700 212 A CB 1.894 20.928 19.000 0.057 0.000 1.296 212 A HN 1.293 nan 8.150 nan 0.000 0.405 213 V N 1.139 121.078 119.914 0.041 0.000 2.498 213 V HA 0.371 4.492 4.120 0.001 0.000 0.279 213 V C 0.045 176.118 176.094 -0.035 0.000 1.048 213 V CA 0.007 62.264 62.300 -0.073 0.000 0.967 213 V CB 1.010 32.824 31.823 -0.015 0.000 0.988 213 V HN 0.883 nan 8.190 nan 0.000 0.473 214 E N 4.728 124.885 120.200 -0.072 0.000 3.108 214 E HA 0.347 4.698 4.350 0.001 0.000 0.228 214 E C -1.082 175.505 176.600 -0.021 0.000 1.176 214 E CA -0.323 56.058 56.400 -0.032 0.000 0.881 214 E CB 1.166 30.845 29.700 -0.035 0.000 1.354 214 E HN 0.580 nan 8.360 nan 0.000 0.400 215 L N 2.198 123.430 121.223 0.016 0.000 2.369 215 L HA 0.181 4.522 4.340 0.001 0.000 0.279 215 L C 0.555 177.441 176.870 0.026 0.000 1.108 215 L CA -0.195 54.671 54.840 0.043 0.000 0.852 215 L CB 0.130 42.252 42.059 0.106 0.000 1.169 215 L HN 0.335 nan 8.230 nan 0.000 0.452 216 E N 2.956 123.165 120.200 0.015 0.000 2.316 216 E HA 0.007 4.357 4.350 0.001 0.000 0.275 216 E C 0.472 177.066 176.600 -0.010 0.000 1.029 216 E CA 0.071 56.471 56.400 0.000 0.000 0.871 216 E CB 0.867 30.565 29.700 -0.003 0.000 1.022 216 E HN 0.492 nan 8.360 nan 0.000 0.418 217 S N 4.521 120.204 115.700 -0.028 0.000 3.280 217 S HA -0.126 4.345 4.470 0.001 0.000 0.349 217 S C -2.436 172.100 174.600 -0.106 0.000 0.936 217 S CA 0.335 58.495 58.200 -0.067 0.000 1.301 217 S CB -0.881 62.274 63.200 -0.074 0.000 0.907 217 S HN 0.464 nan 8.310 nan 0.000 0.516 218 P HA 0.561 nan 4.420 nan 0.000 0.285 218 P C -0.055 177.176 177.300 -0.114 0.000 1.285 218 P CA -0.887 62.186 63.100 -0.044 0.000 0.854 218 P CB 0.467 32.202 31.700 0.057 0.000 1.180 219 F N -0.057 119.915 119.950 0.037 0.000 2.380 219 F HA 0.384 4.911 4.527 0.001 0.000 0.325 219 F C 0.832 176.654 175.800 0.036 0.000 1.136 219 F CA 0.228 58.246 58.000 0.030 0.000 1.171 219 F CB 0.334 39.349 39.000 0.023 0.000 1.230 219 F HN 0.020 nan 8.300 nan 0.000 0.554 220 I N 3.417 124.143 120.570 0.259 0.000 2.447 220 I HA 0.260 4.430 4.170 0.001 0.000 0.287 220 I C -1.367 174.821 176.117 0.119 0.000 1.023 220 I CA -0.785 60.608 61.300 0.155 0.000 1.083 220 I CB 1.850 39.917 38.000 0.112 0.000 1.245 220 I HN 0.244 nan 8.210 nan 0.000 0.434 221 L N 7.987 129.262 121.223 0.085 0.000 2.265 221 L HA 0.518 4.859 4.340 0.001 0.000 0.289 221 L C -0.993 175.897 176.870 0.034 0.000 1.033 221 L CA -0.092 54.775 54.840 0.046 0.000 0.814 221 L CB 0.758 42.832 42.059 0.025 0.000 1.203 221 L HN 0.458 nan 8.230 nan 0.000 0.423 222 L N 6.099 127.334 121.223 0.020 0.000 2.262 222 L HA 0.673 5.013 4.340 0.001 0.000 0.288 222 L C 0.057 176.925 176.870 -0.004 0.000 1.035 222 L CA -0.534 54.307 54.840 0.003 0.000 0.820 222 L CB 1.222 43.275 42.059 -0.010 0.000 1.204 222 L HN 0.772 nan 8.230 nan 0.000 0.424 223 A N 1.737 124.555 122.820 -0.004 0.000 2.273 223 A HA 0.275 4.595 4.320 0.001 0.000 0.315 223 A C 0.402 177.980 177.584 -0.010 0.000 1.256 223 A CA -0.553 51.481 52.037 -0.005 0.000 0.851 223 A CB 1.043 20.042 19.000 -0.001 0.000 1.172 223 A HN 0.781 nan 8.150 nan 0.000 0.508 224 D N 2.018 122.411 120.400 -0.013 0.000 2.097 224 D HA -0.092 4.549 4.640 0.001 0.000 0.197 224 D C 0.870 177.166 176.300 -0.007 0.000 0.984 224 D CA 1.649 55.640 54.000 -0.015 0.000 0.826 224 D CB 0.023 40.814 40.800 -0.015 0.000 0.973 224 D HN 0.671 nan 8.370 nan 0.000 0.460 225 K N 0.674 121.072 120.400 -0.003 0.000 2.168 225 K HA 0.147 4.467 4.320 0.001 0.000 0.258 225 K C -0.031 176.572 176.600 0.005 0.000 1.010 225 K CA -0.591 55.696 56.287 0.001 0.000 0.929 225 K CB 0.381 32.881 32.500 0.000 0.000 0.998 225 K HN -0.065 nan 8.250 nan 0.000 0.479 226 K N 1.577 121.982 120.400 0.008 0.000 2.185 226 K HA 0.282 4.603 4.320 0.001 0.000 0.271 226 K C -0.518 176.088 176.600 0.008 0.000 1.013 226 K CA -0.468 55.826 56.287 0.012 0.000 0.943 226 K CB 0.539 33.048 32.500 0.016 0.000 0.998 226 K HN 0.519 nan 8.250 nan 0.000 0.468 227 I N 1.344 121.920 120.570 0.009 0.000 2.437 227 I HA 0.044 4.215 4.170 0.001 0.000 0.298 227 I C 0.741 176.861 176.117 0.006 0.000 0.984 227 I CA -0.136 61.167 61.300 0.005 0.000 1.214 227 I CB 1.906 39.907 38.000 0.002 0.000 1.365 227 I HN 0.871 nan 8.210 nan 0.000 0.469 228 S N 2.819 118.521 115.700 0.003 0.000 2.612 228 S HA 0.245 4.715 4.470 0.001 0.000 0.278 228 S C -0.282 174.319 174.600 0.001 0.000 1.082 228 S CA -0.216 57.986 58.200 0.004 0.000 1.185 228 S CB 0.214 63.417 63.200 0.006 0.000 1.077 228 S HN 0.745 nan 8.310 nan 0.000 0.585 229 N N 1.217 119.916 118.700 -0.001 0.000 2.321 229 N HA 0.412 5.153 4.740 0.001 0.000 0.299 229 N C 0.146 175.652 175.510 -0.007 0.000 1.048 229 N CA -0.565 52.483 53.050 -0.003 0.000 0.836 229 N CB 1.307 39.792 38.487 -0.003 0.000 1.269 229 N HN 0.018 nan 8.380 nan 0.000 0.486 230 I N 1.346 121.911 120.570 -0.008 0.000 2.454 230 I HA -0.098 4.073 4.170 0.001 0.000 0.254 230 I C 2.226 178.335 176.117 -0.013 0.000 1.156 230 I CA 1.206 62.498 61.300 -0.012 0.000 1.433 230 I CB -0.120 37.873 38.000 -0.012 0.000 1.082 230 I HN 0.599 nan 8.210 nan 0.000 0.432 231 R N 0.766 121.260 120.500 -0.010 0.000 2.143 231 R HA -0.294 4.047 4.340 0.001 0.000 0.239 231 R C 2.077 178.370 176.300 -0.013 0.000 1.126 231 R CA 2.589 58.683 56.100 -0.011 0.000 0.927 231 R CB -0.412 29.883 30.300 -0.008 0.000 0.860 231 R HN 0.439 nan 8.270 nan 0.000 0.433 232 E N -0.537 119.656 120.200 -0.013 0.000 2.267 232 E HA -0.189 4.161 4.350 0.001 0.000 0.197 232 E C 1.920 178.508 176.600 -0.019 0.000 0.998 232 E CA 1.204 57.595 56.400 -0.014 0.000 0.830 232 E CB 0.029 29.722 29.700 -0.012 0.000 0.751 232 E HN 0.349 nan 8.360 nan 0.000 0.491 233 M N -0.219 119.369 119.600 -0.020 0.000 2.160 233 M HA -0.016 4.464 4.480 0.001 0.000 0.264 233 M C 2.220 178.503 176.300 -0.029 0.000 1.073 233 M CA 1.028 56.313 55.300 -0.026 0.000 1.142 233 M CB -0.803 31.782 32.600 -0.026 0.000 1.358 233 M HN 0.172 nan 8.290 nan 0.000 0.422 234 L N 0.091 121.299 121.223 -0.025 0.000 2.030 234 L HA -0.281 4.060 4.340 0.001 0.000 0.222 234 L C -0.377 176.476 176.870 -0.029 0.000 1.082 234 L CA 2.103 56.928 54.840 -0.024 0.000 0.785 234 L CB -2.336 39.712 42.059 -0.019 0.000 0.895 234 L HN 0.181 nan 8.230 nan 0.000 0.439 235 P HA -0.145 nan 4.420 nan 0.000 0.215 235 P C 1.775 179.046 177.300 -0.049 0.000 1.157 235 P CA 1.381 64.460 63.100 -0.035 0.000 0.868 235 P CB 0.035 31.717 31.700 -0.031 0.000 0.788 236 V N -0.711 119.170 119.914 -0.055 0.000 2.300 236 V HA -0.133 3.987 4.120 0.001 0.000 0.241 236 V C 2.478 178.522 176.094 -0.083 0.000 1.034 236 V CA 1.049 63.302 62.300 -0.079 0.000 1.021 236 V CB -1.483 30.296 31.823 -0.074 0.000 0.662 236 V HN 0.005 nan 8.190 nan 0.000 0.458 237 L N 0.233 121.420 121.223 -0.059 0.000 2.103 237 L HA -0.301 4.039 4.340 0.001 0.000 0.215 237 L C 2.671 179.514 176.870 -0.044 0.000 1.080 237 L CA 2.203 57.014 54.840 -0.048 0.000 0.764 237 L CB -0.177 41.861 42.059 -0.035 0.000 0.890 237 L HN 0.466 nan 8.230 nan 0.000 0.435 238 E N -0.161 120.012 120.200 -0.044 0.000 2.028 238 E HA -0.196 4.154 4.350 0.001 0.000 0.191 238 E C 2.046 178.618 176.600 -0.046 0.000 0.988 238 E CA 1.591 57.969 56.400 -0.036 0.000 0.799 238 E CB -0.281 29.401 29.700 -0.031 0.000 0.755 238 E HN 0.463 nan 8.360 nan 0.000 0.447 239 A N 0.190 122.967 122.820 -0.072 0.000 1.940 239 A HA -0.171 4.149 4.320 0.001 0.000 0.219 239 A C 2.453 179.970 177.584 -0.112 0.000 1.176 239 A CA 1.894 53.874 52.037 -0.094 0.000 0.631 239 A CB -0.761 18.160 19.000 -0.131 0.000 0.814 239 A HN 0.212 nan 8.150 nan 0.000 0.446 240 V N -0.438 119.397 119.914 -0.131 0.000 2.453 240 V HA -0.160 3.960 4.120 0.001 0.000 0.247 240 V C 2.981 179.083 176.094 0.014 0.000 1.048 240 V CA 1.632 63.879 62.300 -0.089 0.000 1.049 240 V CB -1.365 30.412 31.823 -0.077 0.000 0.672 240 V HN 0.592 nan 8.190 nan 0.000 0.457 241 A N -0.009 122.812 122.820 0.001 0.000 1.940 241 A HA -0.215 4.105 4.320 0.001 0.000 0.219 241 A C 2.160 179.758 177.584 0.024 0.000 1.176 241 A CA 1.798 53.846 52.037 0.018 0.000 0.631 241 A CB -0.386 18.617 19.000 0.005 0.000 0.814 241 A HN 0.545 nan 8.150 nan 0.000 0.446 242 K N -0.810 119.598 120.400 0.013 0.000 2.437 242 K HA 0.347 4.667 4.320 0.001 0.000 0.198 242 K C 1.181 177.800 176.600 0.033 0.000 1.024 242 K CA 0.395 56.692 56.287 0.017 0.000 1.148 242 K CB 0.158 32.661 32.500 0.004 0.000 0.860 242 K HN 0.433 nan 8.250 nan 0.000 0.515 243 A N -0.295 122.558 122.820 0.056 0.000 2.259 243 A HA 0.354 4.674 4.320 0.001 0.000 0.213 243 A C 1.476 179.131 177.584 0.120 0.000 1.209 243 A CA 0.689 52.787 52.037 0.103 0.000 0.910 243 A CB 0.209 19.305 19.000 0.160 0.000 0.946 243 A HN 0.326 nan 8.150 nan 0.000 0.497 244 G N 0.025 108.885 108.800 0.101 0.000 2.454 244 G HA2 -0.292 3.669 3.960 0.001 0.000 0.225 244 G HA3 -0.292 3.669 3.960 0.001 0.000 0.225 244 G C 0.444 175.407 174.900 0.104 0.000 1.138 244 G CA 0.425 45.577 45.100 0.086 0.000 0.667 244 G HN 0.562 nan 8.290 nan 0.000 0.512 245 K N 2.303 122.792 120.400 0.147 0.000 2.436 245 K HA 0.397 4.718 4.320 0.001 0.000 0.275 245 K C -1.983 174.726 176.600 0.183 0.000 0.999 245 K CA -0.847 55.520 56.287 0.134 0.000 0.980 245 K CB 0.592 33.142 32.500 0.082 0.000 0.919 245 K HN 0.228 nan 8.250 nan 0.000 0.484 246 P HA 0.107 nan 4.420 nan 0.000 0.275 246 P C -1.293 176.127 177.300 0.199 0.000 1.270 246 P CA -0.491 62.702 63.100 0.156 0.000 0.791 246 P CB 0.471 32.253 31.700 0.137 0.000 1.089 247 L N 0.177 121.505 121.223 0.174 0.000 2.505 247 L HA 0.528 4.869 4.340 0.001 0.000 0.266 247 L C -1.632 175.315 176.870 0.128 0.000 0.954 247 L CA -0.832 54.110 54.840 0.170 0.000 0.852 247 L CB 1.583 43.720 42.059 0.131 0.000 1.282 247 L HN 0.103 nan 8.230 nan 0.000 0.403 248 L N 5.721 127.026 121.223 0.136 0.000 2.334 248 L HA 0.681 5.021 4.340 0.001 0.000 0.277 248 L C -1.085 175.842 176.870 0.095 0.000 1.075 248 L CA 0.211 55.124 54.840 0.122 0.000 0.804 248 L CB 1.265 43.408 42.059 0.140 0.000 1.174 248 L HN 0.622 nan 8.230 nan 0.000 0.438 249 I N 6.136 126.751 120.570 0.074 0.000 2.411 249 I HA 0.358 4.528 4.170 0.001 0.000 0.284 249 I C -0.738 175.426 176.117 0.078 0.000 1.012 249 I CA -0.033 61.301 61.300 0.057 0.000 1.119 249 I CB 1.354 39.366 38.000 0.020 0.000 1.261 249 I HN 0.469 nan 8.210 nan 0.000 0.448 250 I N 6.508 127.126 120.570 0.079 0.000 2.347 250 I HA 0.570 4.740 4.170 0.001 0.000 0.283 250 I C 0.452 176.591 176.117 0.037 0.000 1.058 250 I CA -0.030 61.321 61.300 0.084 0.000 1.202 250 I CB 0.806 38.860 38.000 0.089 0.000 1.386 250 I HN 0.605 nan 8.210 nan 0.000 0.475 251 A N 4.218 127.061 122.820 0.039 0.000 2.284 251 A HA 0.437 4.758 4.320 0.001 0.000 0.317 251 A C 1.115 178.712 177.584 0.023 0.000 1.120 251 A CA -0.470 51.580 52.037 0.021 0.000 0.900 251 A CB 0.863 19.874 19.000 0.019 0.000 1.319 251 A HN 0.702 nan 8.150 nan 0.000 0.494 252 E N -0.831 119.378 120.200 0.015 0.000 2.153 252 E HA -0.126 4.225 4.350 0.001 0.000 0.194 252 E C -0.364 176.257 176.600 0.034 0.000 0.988 252 E CA 1.348 57.761 56.400 0.021 0.000 0.811 252 E CB 0.186 29.896 29.700 0.017 0.000 0.746 252 E HN 0.596 nan 8.360 nan 0.000 0.466 253 D N -1.734 118.685 120.400 0.032 0.000 2.728 253 D HA 0.162 4.802 4.640 0.001 0.000 0.249 253 D C -1.838 174.479 176.300 0.028 0.000 1.225 253 D CA -0.450 53.572 54.000 0.036 0.000 0.748 253 D CB 2.076 42.897 40.800 0.033 0.000 1.326 253 D HN -0.130 nan 8.370 nan 0.000 0.426 254 V N 2.605 122.537 119.914 0.030 0.000 2.525 254 V HA 0.481 4.602 4.120 0.001 0.000 0.299 254 V C 0.152 176.259 176.094 0.021 0.000 1.034 254 V CA -0.497 61.815 62.300 0.021 0.000 0.863 254 V CB 1.641 33.474 31.823 0.016 0.000 0.999 254 V HN 0.628 nan 8.190 nan 0.000 0.423 255 E N 3.426 123.635 120.200 0.017 0.000 2.359 255 E HA 0.823 5.173 4.350 0.001 0.000 0.223 255 E C 0.531 177.139 176.600 0.014 0.000 0.877 255 E CA -0.379 56.031 56.400 0.018 0.000 0.887 255 E CB 1.143 30.854 29.700 0.019 0.000 1.890 255 E HN 1.115 nan 8.360 nan 0.000 0.419 256 G N 0.940 109.749 108.800 0.015 0.000 2.578 256 G HA2 -0.399 3.562 3.960 0.001 0.000 0.275 256 G HA3 -0.399 3.562 3.960 0.001 0.000 0.275 256 G C 0.550 175.457 174.900 0.013 0.000 1.271 256 G CA 0.942 46.050 45.100 0.013 0.000 0.941 256 G HN 0.814 nan 8.290 nan 0.000 0.564 257 E N 0.193 120.398 120.200 0.009 0.000 2.427 257 E HA 0.427 4.778 4.350 0.001 0.000 0.196 257 E C 2.520 179.121 176.600 0.002 0.000 1.028 257 E CA 1.898 58.303 56.400 0.007 0.000 0.864 257 E CB -0.484 29.219 29.700 0.005 0.000 0.813 257 E HN 1.181 nan 8.360 nan 0.000 0.514 258 A N 1.565 124.385 122.820 0.000 0.000 1.841 258 A HA -0.142 4.179 4.320 0.001 0.000 0.216 258 A C 2.167 179.745 177.584 -0.011 0.000 1.199 258 A CA 1.571 53.604 52.037 -0.006 0.000 0.621 258 A CB -0.971 18.026 19.000 -0.006 0.000 0.835 258 A HN 0.322 nan 8.150 nan 0.000 0.445 259 L N -0.179 121.042 121.223 -0.004 0.000 2.013 259 L HA -0.159 4.182 4.340 0.001 0.000 0.212 259 L C 2.739 179.609 176.870 0.001 0.000 1.073 259 L CA 2.455 57.293 54.840 -0.005 0.000 0.753 259 L CB -0.875 41.190 42.059 0.011 0.000 0.890 259 L HN 0.403 nan 8.230 nan 0.000 0.432 260 A N -1.145 121.684 122.820 0.015 0.000 1.865 260 A HA -0.283 4.037 4.320 0.001 0.000 0.217 260 A C 2.370 179.962 177.584 0.013 0.000 1.191 260 A CA 2.944 54.997 52.037 0.026 0.000 0.623 260 A CB -1.503 17.513 19.000 0.026 0.000 0.826 260 A HN 0.644 nan 8.150 nan 0.000 0.444 261 T N -1.551 113.003 114.554 0.000 0.000 2.821 261 T HA -0.036 4.314 4.350 0.001 0.000 0.267 261 T C 1.821 176.510 174.700 -0.019 0.000 1.046 261 T CA 1.318 63.413 62.100 -0.007 0.000 1.139 261 T CB -0.600 68.262 68.868 -0.009 0.000 0.871 261 T HN 0.276 nan 8.240 nan 0.000 0.454 262 L N 0.874 122.075 121.223 -0.036 0.000 2.079 262 L HA -0.108 4.232 4.340 0.001 0.000 0.210 262 L C 2.903 179.724 176.870 -0.082 0.000 1.081 262 L CA 0.957 55.752 54.840 -0.075 0.000 0.752 262 L CB -0.744 41.249 42.059 -0.110 0.000 0.896 262 L HN 0.197 nan 8.230 nan 0.000 0.433 263 V N -0.565 119.327 119.914 -0.036 0.000 2.233 263 V HA -0.272 3.849 4.120 0.001 0.000 0.247 263 V C 2.353 178.466 176.094 0.031 0.000 1.050 263 V CA 1.937 64.249 62.300 0.019 0.000 1.010 263 V CB -0.603 31.268 31.823 0.080 0.000 0.637 263 V HN 0.278 nan 8.190 nan 0.000 0.444 264 V N 0.496 120.420 119.914 0.016 0.000 2.867 264 V HA -0.182 3.938 4.120 0.001 0.000 0.260 264 V C 2.105 178.207 176.094 0.012 0.000 1.099 264 V CA 1.695 64.001 62.300 0.011 0.000 1.122 264 V CB -1.117 30.706 31.823 0.001 0.000 0.708 264 V HN 0.562 nan 8.190 nan 0.000 0.490 265 N N 0.431 119.133 118.700 0.004 0.000 2.354 265 N HA -0.074 4.666 4.740 0.001 0.000 0.179 265 N C 1.825 177.351 175.510 0.027 0.000 1.021 265 N CA 1.737 54.789 53.050 0.004 0.000 0.887 265 N CB 0.093 38.571 38.487 -0.016 0.000 0.974 265 N HN 0.502 nan 8.380 nan 0.000 0.437 266 T N 0.874 115.458 114.554 0.049 0.000 3.039 266 T HA 0.142 4.492 4.350 0.001 0.000 0.250 266 T C 1.823 176.598 174.700 0.125 0.000 1.052 266 T CA -0.095 62.083 62.100 0.130 0.000 1.125 266 T CB 0.309 69.342 68.868 0.275 0.000 0.908 266 T HN 0.095 nan 8.240 nan 0.000 0.473 267 M N 0.916 120.576 119.600 0.100 0.000 2.260 267 M HA -0.118 4.362 4.480 0.001 0.000 0.261 267 M C 2.212 178.533 176.300 0.036 0.000 1.066 267 M CA 1.554 56.891 55.300 0.063 0.000 1.082 267 M CB -0.022 32.599 32.600 0.036 0.000 1.388 267 M HN 0.038 nan 8.290 nan 0.000 0.419 268 R N -0.724 119.797 120.500 0.034 0.000 2.146 268 R HA 0.111 4.452 4.340 0.001 0.000 0.206 268 R C 1.000 177.317 176.300 0.027 0.000 1.049 268 R CA 1.378 57.492 56.100 0.022 0.000 1.029 268 R CB 0.332 30.641 30.300 0.015 0.000 0.949 268 R HN 0.472 nan 8.270 nan 0.000 0.471 269 G N -0.166 108.658 108.800 0.040 0.000 2.141 269 G HA2 -0.132 3.828 3.960 0.001 0.000 0.164 269 G HA3 -0.132 3.828 3.960 0.001 0.000 0.164 269 G C 0.413 175.335 174.900 0.038 0.000 1.009 269 G CA 0.134 45.259 45.100 0.042 0.000 0.677 269 G HN 0.126 nan 8.290 nan 0.000 0.508 270 I N -0.049 120.541 120.570 0.034 0.000 2.235 270 I HA 0.136 4.307 4.170 0.001 0.000 0.241 270 I C 1.570 177.707 176.117 0.033 0.000 1.085 270 I CA 2.099 63.415 61.300 0.026 0.000 1.378 270 I CB -1.173 36.836 38.000 0.016 0.000 1.076 270 I HN 0.535 nan 8.210 nan 0.000 0.415 271 V N -1.814 118.124 119.914 0.039 0.000 3.114 271 V HA 0.517 4.637 4.120 0.001 0.000 0.308 271 V C -0.489 175.654 176.094 0.082 0.000 1.168 271 V CA -1.198 61.132 62.300 0.050 0.000 1.015 271 V CB 2.546 34.384 31.823 0.024 0.000 1.050 271 V HN 0.058 nan 8.190 nan 0.000 0.433 272 K N 1.823 122.292 120.400 0.115 0.000 2.334 272 K HA 0.736 5.056 4.320 0.001 0.000 0.265 272 K C -1.118 175.587 176.600 0.175 0.000 1.039 272 K CA -0.465 55.949 56.287 0.212 0.000 0.920 272 K CB 1.583 34.213 32.500 0.216 0.000 1.160 272 K HN 0.959 nan 8.250 nan 0.000 0.451 273 V N 0.281 120.182 119.914 -0.023 0.000 2.623 273 V HA 0.800 4.921 4.120 0.001 0.000 0.304 273 V C -0.621 174.999 176.094 -0.789 0.000 1.054 273 V CA -1.081 61.077 62.300 -0.238 0.000 0.882 273 V CB 1.490 33.201 31.823 -0.187 0.000 1.002 273 V HN 0.669 nan 8.190 nan 0.000 0.424 274 A N 3.481 126.138 122.820 -0.271 0.000 2.320 274 A HA 1.048 5.369 4.320 0.001 0.000 0.334 274 A C 0.139 177.690 177.584 -0.055 0.000 1.147 274 A CA -0.278 51.685 52.037 -0.124 0.000 0.820 274 A CB 1.693 20.895 19.000 0.337 0.000 1.218 274 A HN 2.427 nan 8.150 nan 0.000 0.482 275 A N 0.843 123.669 122.820 0.009 0.000 2.375 275 A HA 0.662 4.983 4.320 0.001 0.000 0.295 275 A C -0.745 176.903 177.584 0.107 0.000 1.066 275 A CA -0.179 51.882 52.037 0.041 0.000 0.722 275 A CB 0.974 19.970 19.000 -0.006 0.000 1.206 275 A HN 2.148 nan 8.150 nan 0.000 0.435 276 V N -0.057 119.926 119.914 0.115 0.000 2.808 276 V HA 0.576 4.697 4.120 0.001 0.000 0.308 276 V C -0.221 175.958 176.094 0.143 0.000 1.099 276 V CA -1.230 61.147 62.300 0.129 0.000 0.920 276 V CB 1.324 33.226 31.823 0.132 0.000 1.014 276 V HN 0.858 nan 8.190 nan 0.000 0.425 277 K N 1.849 122.325 120.400 0.126 0.000 2.344 277 K HA 0.532 4.852 4.320 0.001 0.000 0.260 277 K C 0.564 177.259 176.600 0.158 0.000 0.988 277 K CA 0.463 56.821 56.287 0.118 0.000 0.909 277 K CB 0.576 33.136 32.500 0.099 0.000 0.968 277 K HN 1.129 nan 8.250 nan 0.000 0.505 278 A N 2.980 125.851 122.820 0.085 0.000 2.388 278 A HA 0.260 4.581 4.320 0.001 0.000 0.257 278 A C -2.171 175.420 177.584 0.012 0.000 1.095 278 A CA -1.352 50.694 52.037 0.015 0.000 0.791 278 A CB -0.133 18.851 19.000 -0.028 0.000 1.029 278 A HN 0.403 nan 8.150 nan 0.000 0.489 279 P HA 0.409 nan 4.420 nan 0.000 0.271 279 P C 0.587 177.774 177.300 -0.189 0.000 1.233 279 P CA 1.475 64.521 63.100 -0.090 0.000 0.764 279 P CB 0.564 32.060 31.700 -0.339 0.000 0.825 280 G N 2.899 111.560 108.800 -0.232 0.000 2.500 280 G HA2 0.116 4.077 3.960 0.001 0.000 0.209 280 G HA3 0.116 4.077 3.960 0.001 0.000 0.209 280 G C -1.366 173.278 174.900 -0.426 0.000 1.283 280 G CA -0.545 44.164 45.100 -0.650 0.000 0.960 280 G HN 0.535 nan 8.290 nan 0.000 0.528 281 F N -2.121 117.844 119.950 0.024 0.000 2.654 281 F HA 0.717 5.245 4.527 0.001 0.000 0.314 281 F C 0.872 176.686 175.800 0.024 0.000 1.116 281 F CA 0.045 58.059 58.000 0.023 0.000 1.017 281 F CB 0.935 39.952 39.000 0.028 0.000 1.285 281 F HN 2.403 nan 8.300 nan 0.000 0.448 282 G N 1.932 110.851 108.800 0.198 0.000 2.547 282 G HA2 -0.317 3.643 3.960 0.001 0.000 0.271 282 G HA3 -0.317 3.643 3.960 0.001 0.000 0.271 282 G C 0.205 175.143 174.900 0.063 0.000 1.209 282 G CA 0.695 45.872 45.100 0.130 0.000 0.959 282 G HN 0.795 nan 8.290 nan 0.000 0.563 283 D N 0.124 120.560 120.400 0.060 0.000 2.348 283 D HA 0.050 4.691 4.640 0.001 0.000 0.216 283 D C 2.367 178.662 176.300 -0.008 0.000 0.970 283 D CA 0.727 54.742 54.000 0.024 0.000 0.889 283 D CB -0.055 40.765 40.800 0.033 0.000 0.912 283 D HN 0.413 nan 8.370 nan 0.000 0.524 284 R N 0.198 120.687 120.500 -0.018 0.000 2.090 284 R HA -0.010 4.331 4.340 0.001 0.000 0.228 284 R C 2.190 178.402 176.300 -0.147 0.000 1.110 284 R CA 0.636 56.679 56.100 -0.095 0.000 0.973 284 R CB 0.140 30.348 30.300 -0.153 0.000 0.869 284 R HN 0.064 nan 8.270 nan 0.000 0.440 285 R N 1.211 121.626 120.500 -0.141 0.000 2.082 285 R HA -0.179 4.162 4.340 0.001 0.000 0.234 285 R C 1.720 177.951 176.300 -0.115 0.000 1.136 285 R CA 2.074 58.088 56.100 -0.144 0.000 0.935 285 R CB -0.089 30.158 30.300 -0.088 0.000 0.842 285 R HN 0.116 nan 8.270 nan 0.000 0.430 286 K N 0.113 120.467 120.400 -0.075 0.000 2.097 286 K HA -0.077 4.244 4.320 0.001 0.000 0.206 286 K C 2.205 178.763 176.600 -0.071 0.000 1.049 286 K CA 1.289 57.539 56.287 -0.063 0.000 0.933 286 K CB -0.196 32.281 32.500 -0.038 0.000 0.717 286 K HN 0.280 nan 8.250 nan 0.000 0.442 287 A N 1.673 124.449 122.820 -0.074 0.000 1.883 287 A HA -0.173 4.147 4.320 0.001 0.000 0.217 287 A C 2.195 179.721 177.584 -0.097 0.000 1.186 287 A CA 1.549 53.541 52.037 -0.076 0.000 0.624 287 A CB -0.430 18.526 19.000 -0.074 0.000 0.822 287 A HN 0.178 nan 8.150 nan 0.000 0.444 288 M N -1.536 117.987 119.600 -0.129 0.000 2.200 288 M HA -0.065 4.415 4.480 0.001 0.000 0.265 288 M C 2.182 178.375 176.300 -0.180 0.000 1.066 288 M CA 1.125 56.328 55.300 -0.161 0.000 1.127 288 M CB -0.411 32.067 32.600 -0.203 0.000 1.379 288 M HN 0.455 nan 8.290 nan 0.000 0.420 289 L N 0.777 121.898 121.223 -0.170 0.000 2.127 289 L HA -0.230 4.111 4.340 0.001 0.000 0.211 289 L C 2.379 179.179 176.870 -0.116 0.000 1.089 289 L CA 1.867 56.610 54.840 -0.163 0.000 0.757 289 L CB -0.717 41.269 42.059 -0.122 0.000 0.899 289 L HN 0.277 nan 8.230 nan 0.000 0.434 290 Q N -0.340 119.405 119.800 -0.091 0.000 2.119 290 Q HA -0.204 4.137 4.340 0.001 0.000 0.201 290 Q C 1.739 177.700 176.000 -0.066 0.000 0.972 290 Q CA 1.981 57.745 55.803 -0.066 0.000 0.847 290 Q CB -0.317 28.389 28.738 -0.054 0.000 0.903 290 Q HN 0.532 nan 8.270 nan 0.000 0.433 291 D N -0.114 120.237 120.400 -0.081 0.000 2.133 291 D HA -0.192 4.448 4.640 0.001 0.000 0.192 291 D C 1.754 178.015 176.300 -0.066 0.000 1.001 291 D CA 1.699 55.656 54.000 -0.073 0.000 0.844 291 D CB -0.248 40.499 40.800 -0.088 0.000 0.944 291 D HN 0.391 nan 8.370 nan 0.000 0.447 292 I N 0.804 121.318 120.570 -0.092 0.000 2.226 292 I HA -0.266 3.905 4.170 0.001 0.000 0.245 292 I C 2.454 178.550 176.117 -0.035 0.000 1.100 292 I CA 1.077 62.333 61.300 -0.073 0.000 1.374 292 I CB -0.307 37.617 38.000 -0.127 0.000 1.057 292 I HN -0.049 nan 8.210 nan 0.000 0.413 293 A N 0.662 123.460 122.820 -0.037 0.000 1.873 293 A HA -0.256 4.064 4.320 0.001 0.000 0.218 293 A C 2.418 179.997 177.584 -0.008 0.000 1.193 293 A CA 2.769 54.797 52.037 -0.016 0.000 0.629 293 A CB -1.314 17.674 19.000 -0.020 0.000 0.826 293 A HN 0.419 nan 8.150 nan 0.000 0.447 294 T N -0.002 114.542 114.554 -0.017 0.000 2.652 294 T HA -0.181 4.170 4.350 0.001 0.000 0.267 294 T C 1.768 176.464 174.700 -0.006 0.000 1.039 294 T CA 1.632 63.724 62.100 -0.012 0.000 1.153 294 T CB -0.436 68.421 68.868 -0.018 0.000 0.863 294 T HN 0.295 nan 8.240 nan 0.000 0.428 295 L N 1.720 122.939 121.223 -0.007 0.000 2.362 295 L HA 0.013 4.353 4.340 0.001 0.000 0.219 295 L C 2.077 178.951 176.870 0.007 0.000 1.134 295 L CA 1.643 56.483 54.840 -0.000 0.000 0.807 295 L CB -0.636 41.424 42.059 0.002 0.000 0.927 295 L HN 0.477 nan 8.230 nan 0.000 0.447 296 T N -5.349 109.211 114.554 0.010 0.000 3.043 296 T HA 0.384 4.735 4.350 0.001 0.000 0.272 296 T C 1.167 175.880 174.700 0.023 0.000 0.990 296 T CA 0.124 62.235 62.100 0.018 0.000 0.897 296 T CB 0.089 68.975 68.868 0.030 0.000 1.111 296 T HN 0.399 nan 8.240 nan 0.000 0.529 297 G N 0.705 109.515 108.800 0.018 0.000 2.272 297 G HA2 0.104 4.064 3.960 0.001 0.000 0.280 297 G HA3 0.104 4.064 3.960 0.001 0.000 0.280 297 G C 0.285 175.206 174.900 0.035 0.000 1.067 297 G CA -0.167 44.946 45.100 0.022 0.000 0.902 297 G HN 1.063 nan 8.290 nan 0.000 0.500 298 G N -1.498 107.321 108.800 0.031 0.000 2.568 298 G HA2 0.782 4.742 3.960 0.001 0.000 0.313 298 G HA3 0.782 4.742 3.960 0.001 0.000 0.313 298 G C -0.420 174.491 174.900 0.018 0.000 1.227 298 G CA 0.026 45.148 45.100 0.037 0.000 0.979 298 G HN 0.581 nan 8.290 nan 0.000 0.486 299 T N 0.626 115.189 114.554 0.015 0.000 2.779 299 T HA 0.380 4.730 4.350 0.001 0.000 0.280 299 T C 0.217 174.916 174.700 -0.002 0.000 0.987 299 T CA -0.275 61.827 62.100 0.003 0.000 0.966 299 T CB 1.567 70.437 68.868 0.002 0.000 0.933 299 T HN 0.348 nan 8.240 nan 0.000 0.442 300 V N 4.709 124.617 119.914 -0.009 0.000 2.450 300 V HA 0.079 4.200 4.120 0.001 0.000 0.281 300 V C 0.491 176.578 176.094 -0.012 0.000 1.019 300 V CA -0.200 62.091 62.300 -0.015 0.000 1.062 300 V CB -0.386 31.423 31.823 -0.023 0.000 0.979 300 V HN 0.733 nan 8.190 nan 0.000 0.477 301 I N 4.992 125.556 120.570 -0.011 0.000 2.293 301 I HA 0.081 4.251 4.170 0.001 0.000 0.299 301 I C 0.845 176.956 176.117 -0.011 0.000 1.153 301 I CA 1.063 62.357 61.300 -0.011 0.000 1.302 301 I CB 0.702 38.695 38.000 -0.011 0.000 1.460 301 I HN 0.590 nan 8.210 nan 0.000 0.552 302 S N 4.579 120.273 115.700 -0.011 0.000 2.404 302 S HA 0.164 4.634 4.470 0.001 0.000 0.309 302 S C 1.313 175.908 174.600 -0.008 0.000 1.076 302 S CA -0.539 57.655 58.200 -0.011 0.000 1.095 302 S CB 0.358 63.551 63.200 -0.012 0.000 0.972 302 S HN 0.686 nan 8.310 nan 0.000 0.484 303 E N 3.177 123.373 120.200 -0.007 0.000 2.267 303 E HA -0.180 4.171 4.350 0.001 0.000 0.197 303 E C 1.269 177.866 176.600 -0.004 0.000 0.998 303 E CA 1.173 57.570 56.400 -0.005 0.000 0.830 303 E CB 0.197 29.895 29.700 -0.004 0.000 0.751 303 E HN 0.781 nan 8.360 nan 0.000 0.491 304 E N 0.255 120.453 120.200 -0.004 0.000 2.015 304 E HA -0.166 4.184 4.350 0.001 0.000 0.191 304 E C 1.617 178.215 176.600 -0.004 0.000 0.991 304 E CA 1.246 57.644 56.400 -0.003 0.000 0.802 304 E CB -0.278 29.420 29.700 -0.004 0.000 0.759 304 E HN 0.396 nan 8.360 nan 0.000 0.447 305 I N -1.289 119.278 120.570 -0.005 0.000 3.525 305 I HA 0.368 4.538 4.170 0.001 0.000 0.311 305 I C 0.410 176.524 176.117 -0.005 0.000 1.329 305 I CA -0.180 61.117 61.300 -0.005 0.000 1.382 305 I CB -0.384 37.612 38.000 -0.006 0.000 1.328 305 I HN 0.051 nan 8.210 nan 0.000 0.493 306 G N 3.105 111.902 108.800 -0.005 0.000 2.367 306 G HA2 -0.233 3.728 3.960 0.001 0.000 0.295 306 G HA3 -0.233 3.728 3.960 0.001 0.000 0.295 306 G C -0.368 174.529 174.900 -0.006 0.000 1.019 306 G CA 0.063 45.160 45.100 -0.005 0.000 1.224 306 G HN 0.585 nan 8.290 nan 0.000 0.510 307 M N -0.110 119.486 119.600 -0.006 0.000 2.378 307 M HA 0.330 4.810 4.480 0.001 0.000 0.289 307 M C -0.380 175.915 176.300 -0.008 0.000 1.136 307 M CA -0.600 54.695 55.300 -0.008 0.000 0.917 307 M CB 2.422 35.017 32.600 -0.008 0.000 1.669 307 M HN 0.308 nan 8.290 nan 0.000 0.461 308 E N 1.746 121.940 120.200 -0.009 0.000 2.191 308 E HA 0.212 4.563 4.350 0.001 0.000 0.278 308 E C 0.319 176.912 176.600 -0.012 0.000 0.972 308 E CA -0.533 55.861 56.400 -0.010 0.000 0.804 308 E CB 2.469 32.163 29.700 -0.010 0.000 1.110 308 E HN 0.504 nan 8.360 nan 0.000 0.394 309 L N 3.497 124.713 121.223 -0.012 0.000 2.079 309 L HA -0.220 4.120 4.340 0.001 0.000 0.210 309 L C 1.795 178.654 176.870 -0.019 0.000 1.081 309 L CA 1.933 56.764 54.840 -0.015 0.000 0.752 309 L CB -0.245 41.807 42.059 -0.013 0.000 0.896 309 L HN 0.606 nan 8.230 nan 0.000 0.433 310 E N -0.022 120.168 120.200 -0.017 0.000 2.110 310 E HA -0.272 4.079 4.350 0.001 0.000 0.193 310 E C 1.577 178.164 176.600 -0.022 0.000 0.988 310 E CA 1.475 57.863 56.400 -0.019 0.000 0.804 310 E CB -0.298 29.392 29.700 -0.016 0.000 0.745 310 E HN 0.640 nan 8.360 nan 0.000 0.458 311 K N 0.876 121.264 120.400 -0.019 0.000 2.476 311 K HA 0.338 4.658 4.320 0.001 0.000 0.196 311 K C 0.313 176.898 176.600 -0.024 0.000 1.025 311 K CA -0.019 56.256 56.287 -0.020 0.000 1.138 311 K CB 0.516 33.007 32.500 -0.015 0.000 0.860 311 K HN -0.081 nan 8.250 nan 0.000 0.515 312 A N 1.613 124.417 122.820 -0.028 0.000 2.401 312 A HA 0.329 4.650 4.320 0.001 0.000 0.259 312 A C 0.275 177.831 177.584 -0.048 0.000 1.103 312 A CA -0.337 51.680 52.037 -0.033 0.000 0.789 312 A CB 0.366 19.346 19.000 -0.033 0.000 1.035 312 A HN 0.505 nan 8.150 nan 0.000 0.491 313 T N -0.133 114.389 114.554 -0.052 0.000 2.870 313 T HA 0.505 4.856 4.350 0.001 0.000 0.277 313 T C 1.243 175.878 174.700 -0.108 0.000 1.000 313 T CA -0.727 61.330 62.100 -0.073 0.000 0.982 313 T CB 0.392 69.228 68.868 -0.053 0.000 1.249 313 T HN 0.332 nan 8.240 nan 0.000 0.589 314 L N 0.191 121.323 121.223 -0.151 0.000 2.081 314 L HA -0.150 4.191 4.340 0.001 0.000 0.212 314 L C 2.911 179.723 176.870 -0.098 0.000 1.080 314 L CA 1.983 56.679 54.840 -0.240 0.000 0.754 314 L CB -0.669 41.243 42.059 -0.245 0.000 0.893 314 L HN 0.887 nan 8.230 nan 0.000 0.433 315 E N 0.792 120.968 120.200 -0.040 0.000 2.095 315 E HA -0.301 4.050 4.350 0.001 0.000 0.212 315 E C 1.552 178.161 176.600 0.016 0.000 1.044 315 E CA 2.303 58.705 56.400 0.003 0.000 0.857 315 E CB -0.085 29.612 29.700 -0.005 0.000 0.764 315 E HN 0.467 nan 8.360 nan 0.000 0.462 316 D N -0.125 120.273 120.400 -0.004 0.000 2.348 316 D HA -0.042 4.598 4.640 0.001 0.000 0.216 316 D C 0.303 176.619 176.300 0.026 0.000 0.970 316 D CA 0.306 54.310 54.000 0.006 0.000 0.889 316 D CB -0.040 40.755 40.800 -0.008 0.000 0.912 316 D HN 0.269 nan 8.370 nan 0.000 0.524 317 L N 1.186 122.432 121.223 0.039 0.000 2.397 317 L HA 0.253 4.593 4.340 0.001 0.000 0.271 317 L C 1.376 178.353 176.870 0.178 0.000 1.148 317 L CA -0.478 54.425 54.840 0.104 0.000 0.825 317 L CB 0.996 43.112 42.059 0.095 0.000 1.117 317 L HN -0.101 nan 8.230 nan 0.000 0.456 318 G N 2.253 111.143 108.800 0.150 0.000 2.599 318 G HA2 0.441 4.402 3.960 0.001 0.000 0.264 318 G HA3 0.441 4.402 3.960 0.001 0.000 0.264 318 G C -0.798 174.183 174.900 0.136 0.000 1.200 318 G CA -0.302 44.869 45.100 0.118 0.000 0.896 318 G HN 0.632 nan 8.290 nan 0.000 0.536 319 Q N -1.336 118.491 119.800 0.045 0.000 2.379 319 Q HA 0.613 4.954 4.340 0.001 0.000 0.278 319 Q C -0.783 175.195 176.000 -0.038 0.000 1.068 319 Q CA -0.788 54.985 55.803 -0.050 0.000 0.816 319 Q CB 2.607 31.261 28.738 -0.140 0.000 1.387 319 Q HN 0.830 nan 8.270 nan 0.000 0.413 320 A N 0.873 123.659 122.820 -0.058 0.000 2.566 320 A HA 0.429 4.750 4.320 0.001 0.000 0.292 320 A C -0.213 177.344 177.584 -0.046 0.000 1.112 320 A CA -0.583 51.436 52.037 -0.029 0.000 0.707 320 A CB 1.679 20.682 19.000 0.005 0.000 1.302 320 A HN 0.775 nan 8.150 nan 0.000 0.409 321 K N -0.576 119.807 120.400 -0.028 0.000 2.103 321 K HA 0.059 4.380 4.320 0.001 0.000 0.204 321 K C 0.601 177.188 176.600 -0.022 0.000 1.052 321 K CA 1.274 57.544 56.287 -0.029 0.000 0.945 321 K CB 0.055 32.544 32.500 -0.019 0.000 0.722 321 K HN 0.598 nan 8.250 nan 0.000 0.443 322 R N -1.107 119.388 120.500 -0.009 0.000 2.709 322 R HA 0.279 4.619 4.340 0.001 0.000 0.270 322 R C -2.056 174.252 176.300 0.013 0.000 1.038 322 R CA -0.694 55.405 56.100 -0.000 0.000 0.872 322 R CB 2.102 32.400 30.300 -0.003 0.000 1.259 322 R HN -0.118 nan 8.270 nan 0.000 0.473 323 V N 2.185 122.112 119.914 0.021 0.000 2.686 323 V HA 0.527 4.647 4.120 0.001 0.000 0.306 323 V C -0.943 175.164 176.094 0.022 0.000 1.065 323 V CA -0.813 61.507 62.300 0.033 0.000 0.894 323 V CB 2.101 33.961 31.823 0.062 0.000 1.004 323 V HN 0.443 nan 8.190 nan 0.000 0.424 324 V N 6.060 125.978 119.914 0.007 0.000 2.376 324 V HA 0.570 4.690 4.120 0.001 0.000 0.287 324 V C -0.605 175.477 176.094 -0.021 0.000 1.015 324 V CA -0.239 62.058 62.300 -0.005 0.000 0.834 324 V CB 1.456 33.270 31.823 -0.016 0.000 1.001 324 V HN 0.735 nan 8.190 nan 0.000 0.428 325 I N 5.587 126.165 120.570 0.014 0.000 2.447 325 I HA 0.535 4.705 4.170 0.001 0.000 0.287 325 I C -0.055 176.098 176.117 0.059 0.000 1.023 325 I CA -0.347 60.961 61.300 0.014 0.000 1.083 325 I CB 1.864 39.926 38.000 0.104 0.000 1.245 325 I HN 0.757 nan 8.210 nan 0.000 0.434 326 N N 4.633 123.281 118.700 -0.086 0.000 2.989 326 N HA 0.351 5.091 4.740 0.001 0.000 0.338 326 N C 0.586 175.692 175.510 -0.672 0.000 1.369 326 N CA -0.993 51.963 53.050 -0.158 0.000 0.794 326 N CB 0.487 38.923 38.487 -0.084 0.000 1.359 326 N HN 0.466 nan 8.380 nan 0.000 0.609 327 K N -1.273 118.725 120.400 -0.669 0.000 2.360 327 K HA -0.094 4.227 4.320 0.001 0.000 0.201 327 K C -0.357 175.989 176.600 -0.425 0.000 1.046 327 K CA 1.451 57.291 56.287 -0.746 0.000 0.945 327 K CB -0.106 32.212 32.500 -0.303 0.000 0.750 327 K HN 0.539 nan 8.250 nan 0.000 0.464 328 D N -0.205 120.015 120.400 -0.300 0.000 2.461 328 D HA 0.016 4.656 4.640 0.001 0.000 0.266 328 D C 0.083 176.267 176.300 -0.192 0.000 1.085 328 D CA 0.621 54.505 54.000 -0.194 0.000 0.887 328 D CB 1.073 41.798 40.800 -0.125 0.000 1.309 328 D HN 0.289 nan 8.370 nan 0.000 0.498 329 T N -0.998 113.422 114.554 -0.222 0.000 2.912 329 T HA 0.582 4.933 4.350 0.001 0.000 0.299 329 T C -0.361 174.147 174.700 -0.321 0.000 1.052 329 T CA -0.622 61.323 62.100 -0.258 0.000 0.996 329 T CB 2.454 71.212 68.868 -0.183 0.000 1.070 329 T HN -0.321 nan 8.240 nan 0.000 0.465 330 T N 2.414 116.643 114.554 -0.542 0.000 2.859 330 T HA 0.677 5.028 4.350 0.001 0.000 0.281 330 T C -0.491 173.949 174.700 -0.433 0.000 1.005 330 T CA -0.549 61.231 62.100 -0.533 0.000 1.025 330 T CB 1.395 69.781 68.868 -0.804 0.000 0.977 330 T HN 0.802 nan 8.240 nan 0.000 0.458 331 T N 3.121 117.568 114.554 -0.178 0.000 2.937 331 T HA 0.471 4.821 4.350 0.001 0.000 0.297 331 T C -0.175 174.533 174.700 0.013 0.000 0.991 331 T CA -0.496 61.567 62.100 -0.061 0.000 0.990 331 T CB 0.579 69.417 68.868 -0.049 0.000 0.991 331 T HN 0.429 nan 8.240 nan 0.000 0.440 332 I N 3.883 124.495 120.570 0.071 0.000 2.312 332 I HA 0.362 4.532 4.170 0.001 0.000 0.291 332 I C -0.110 176.033 176.117 0.044 0.000 1.031 332 I CA -0.560 60.784 61.300 0.073 0.000 1.293 332 I CB 0.777 38.843 38.000 0.109 0.000 1.403 332 I HN 0.503 nan 8.210 nan 0.000 0.484 333 I N 6.402 126.987 120.570 0.026 0.000 2.301 333 I HA 0.127 4.298 4.170 0.001 0.000 0.292 333 I C -0.143 175.980 176.117 0.010 0.000 1.046 333 I CA -0.168 61.140 61.300 0.014 0.000 1.282 333 I CB 0.450 38.453 38.000 0.006 0.000 1.409 333 I HN 0.587 nan 8.210 nan 0.000 0.484 334 D N 5.270 125.676 120.400 0.010 0.000 3.617 334 D HA -0.131 4.509 4.640 0.001 0.000 0.226 334 D C 0.113 176.414 176.300 0.001 0.000 1.125 334 D CA 0.907 54.910 54.000 0.004 0.000 1.083 334 D CB -0.034 40.765 40.800 -0.002 0.000 0.833 334 D HN 0.757 nan 8.370 nan 0.000 0.399 335 G N 1.293 110.097 108.800 0.006 0.000 2.476 335 G HA2 0.436 4.396 3.960 0.001 0.000 0.286 335 G HA3 0.436 4.396 3.960 0.001 0.000 0.286 335 G C 1.495 176.393 174.900 -0.003 0.000 1.177 335 G CA -0.254 44.848 45.100 0.003 0.000 0.870 335 G HN 0.338 nan 8.290 nan 0.000 0.528 336 V N 2.066 121.975 119.914 -0.008 0.000 2.233 336 V HA -0.110 4.011 4.120 0.001 0.000 0.252 336 V C 2.174 178.266 176.094 -0.003 0.000 1.063 336 V CA 2.337 64.631 62.300 -0.009 0.000 1.032 336 V CB -1.437 30.381 31.823 -0.008 0.000 0.645 336 V HN 1.742 nan 8.190 nan 0.000 0.446 337 G N 1.379 110.180 108.800 0.001 0.000 2.261 337 G HA2 -0.251 3.709 3.960 0.001 0.000 0.220 337 G HA3 -0.251 3.709 3.960 0.001 0.000 0.220 337 G C -0.385 174.515 174.900 0.000 0.000 0.572 337 G CA 0.263 45.363 45.100 0.001 0.000 1.011 337 G HN 0.671 nan 8.290 nan 0.000 0.328 338 E N 1.443 121.643 120.200 0.001 0.000 2.603 338 E HA 0.156 4.507 4.350 0.001 0.000 0.242 338 E C 1.311 177.911 176.600 -0.001 0.000 1.083 338 E CA 0.448 56.849 56.400 0.001 0.000 0.950 338 E CB 0.640 30.341 29.700 0.001 0.000 0.952 338 E HN 0.648 nan 8.360 nan 0.000 0.498 339 E N 3.899 124.098 120.200 -0.002 0.000 2.086 339 E HA -0.318 4.032 4.350 0.001 0.000 0.205 339 E C 1.776 178.374 176.600 -0.003 0.000 1.027 339 E CA 2.148 58.547 56.400 -0.002 0.000 0.830 339 E CB -0.249 29.449 29.700 -0.002 0.000 0.751 339 E HN 0.594 nan 8.360 nan 0.000 0.456 340 A N 0.248 123.066 122.820 -0.003 0.000 1.933 340 A HA -0.031 4.290 4.320 0.001 0.000 0.218 340 A C 2.365 179.946 177.584 -0.004 0.000 1.175 340 A CA 2.178 54.213 52.037 -0.003 0.000 0.628 340 A CB -0.812 18.187 19.000 -0.002 0.000 0.814 340 A HN 0.370 nan 8.150 nan 0.000 0.444 341 A N -0.443 122.375 122.820 -0.004 0.000 2.066 341 A HA 0.101 4.421 4.320 0.001 0.000 0.218 341 A C 2.002 179.582 177.584 -0.007 0.000 1.157 341 A CA 1.091 53.125 52.037 -0.005 0.000 0.670 341 A CB -0.485 18.513 19.000 -0.004 0.000 0.804 341 A HN 0.508 nan 8.150 nan 0.000 0.453 342 I N -0.814 119.752 120.570 -0.007 0.000 2.141 342 I HA -0.279 3.891 4.170 0.001 0.000 0.236 342 I C 2.622 178.733 176.117 -0.009 0.000 1.071 342 I CA 1.518 62.813 61.300 -0.008 0.000 1.345 342 I CB -0.496 37.501 38.000 -0.006 0.000 1.066 342 I HN 0.313 nan 8.210 nan 0.000 0.406 343 Q N 0.702 120.497 119.800 -0.008 0.000 2.291 343 Q HA -0.086 4.255 4.340 0.001 0.000 0.205 343 Q C 2.213 178.208 176.000 -0.009 0.000 0.970 343 Q CA 1.341 57.139 55.803 -0.008 0.000 0.876 343 Q CB -0.309 28.425 28.738 -0.006 0.000 0.935 343 Q HN 0.641 nan 8.270 nan 0.000 0.455 344 G N 0.654 109.449 108.800 -0.009 0.000 2.404 344 G HA2 -0.236 3.725 3.960 0.001 0.000 0.214 344 G HA3 -0.236 3.725 3.960 0.001 0.000 0.214 344 G C 1.430 176.323 174.900 -0.012 0.000 1.189 344 G CA 0.119 45.214 45.100 -0.009 0.000 0.789 344 G HN 0.105 nan 8.290 nan 0.000 0.533 345 R N 0.266 120.758 120.500 -0.013 0.000 2.193 345 R HA 0.010 4.351 4.340 0.001 0.000 0.229 345 R C 2.436 178.724 176.300 -0.020 0.000 1.110 345 R CA 0.744 56.834 56.100 -0.017 0.000 0.988 345 R CB -0.281 30.007 30.300 -0.019 0.000 0.871 345 R HN 0.346 nan 8.270 nan 0.000 0.458 346 V N 0.154 120.058 119.914 -0.017 0.000 2.379 346 V HA -0.088 4.032 4.120 0.001 0.000 0.243 346 V C 2.350 178.434 176.094 -0.016 0.000 1.035 346 V CA 1.602 63.892 62.300 -0.018 0.000 1.035 346 V CB -0.504 31.310 31.823 -0.014 0.000 0.673 346 V HN 0.346 nan 8.190 nan 0.000 0.457 347 A N -0.834 121.978 122.820 -0.013 0.000 2.121 347 A HA -0.238 4.082 4.320 0.001 0.000 0.218 347 A C 2.180 179.756 177.584 -0.013 0.000 1.154 347 A CA 1.775 53.805 52.037 -0.012 0.000 0.679 347 A CB -0.389 18.605 19.000 -0.009 0.000 0.795 347 A HN 0.605 nan 8.150 nan 0.000 0.458 348 Q N -0.350 119.441 119.800 -0.015 0.000 2.123 348 Q HA -0.002 4.338 4.340 0.001 0.000 0.196 348 Q C 1.841 177.829 176.000 -0.020 0.000 0.958 348 Q CA 1.064 56.857 55.803 -0.016 0.000 0.841 348 Q CB -0.114 28.614 28.738 -0.017 0.000 0.915 348 Q HN 0.677 nan 8.270 nan 0.000 0.455 349 I N 0.491 121.046 120.570 -0.024 0.000 2.546 349 I HA -0.193 3.978 4.170 0.001 0.000 0.255 349 I C 2.664 178.764 176.117 -0.028 0.000 1.163 349 I CA 0.608 61.890 61.300 -0.031 0.000 1.457 349 I CB -0.280 37.698 38.000 -0.036 0.000 1.092 349 I HN 0.175 nan 8.210 nan 0.000 0.434 350 R N 0.845 121.331 120.500 -0.022 0.000 2.120 350 R HA -0.211 4.130 4.340 0.001 0.000 0.234 350 R C 2.266 178.556 176.300 -0.017 0.000 1.123 350 R CA 1.378 57.466 56.100 -0.019 0.000 0.975 350 R CB -0.105 30.186 30.300 -0.015 0.000 0.866 350 R HN 0.407 nan 8.270 nan 0.000 0.446 351 Q N 0.064 119.854 119.800 -0.016 0.000 2.402 351 Q HA -0.078 4.262 4.340 0.001 0.000 0.206 351 Q C 1.261 177.252 176.000 -0.015 0.000 0.919 351 Q CA 0.749 56.544 55.803 -0.013 0.000 0.923 351 Q CB 0.367 29.098 28.738 -0.010 0.000 1.048 351 Q HN 0.447 nan 8.270 nan 0.000 0.515 352 Q N 0.138 119.926 119.800 -0.021 0.000 2.230 352 Q HA -0.022 4.318 4.340 0.001 0.000 0.202 352 Q C 1.944 177.928 176.000 -0.027 0.000 0.963 352 Q CA 1.142 56.930 55.803 -0.025 0.000 0.866 352 Q CB 0.109 28.828 28.738 -0.033 0.000 0.931 352 Q HN 0.461 nan 8.270 nan 0.000 0.452 353 I N 0.085 120.639 120.570 -0.027 0.000 2.500 353 I HA -0.163 4.007 4.170 0.001 0.000 0.252 353 I C 2.102 178.211 176.117 -0.014 0.000 1.142 353 I CA 0.582 61.867 61.300 -0.026 0.000 1.451 353 I CB -0.212 37.772 38.000 -0.026 0.000 1.093 353 I HN 0.071 nan 8.210 nan 0.000 0.430 354 E N 1.858 122.051 120.200 -0.011 0.000 2.058 354 E HA -0.223 4.128 4.350 0.001 0.000 0.194 354 E C 1.507 178.106 176.600 -0.002 0.000 0.997 354 E CA 1.543 57.940 56.400 -0.005 0.000 0.801 354 E CB -0.173 29.524 29.700 -0.004 0.000 0.746 354 E HN 0.684 nan 8.360 nan 0.000 0.450 355 E N 0.166 120.363 120.200 -0.004 0.000 2.370 355 E HA 0.355 4.706 4.350 0.001 0.000 0.194 355 E C -0.266 176.333 176.600 -0.002 0.000 1.057 355 E CA -0.233 56.166 56.400 -0.001 0.000 1.011 355 E CB 0.348 30.047 29.700 -0.002 0.000 1.132 355 E HN -0.043 nan 8.360 nan 0.000 0.450 356 A N 1.675 124.492 122.820 -0.004 0.000 2.395 356 A HA 0.153 4.473 4.320 0.001 0.000 0.286 356 A C 1.147 178.736 177.584 0.009 0.000 1.193 356 A CA -0.321 51.713 52.037 -0.005 0.000 0.852 356 A CB -0.025 18.964 19.000 -0.017 0.000 1.118 356 A HN 0.318 nan 8.150 nan 0.000 0.524 357 T N 0.069 114.633 114.554 0.016 0.000 3.361 357 T HA 0.271 4.622 4.350 0.001 0.000 0.251 357 T C 0.713 175.435 174.700 0.035 0.000 1.131 357 T CA 0.501 62.616 62.100 0.024 0.000 1.001 357 T CB -1.003 67.880 68.868 0.025 0.000 1.003 357 T HN 1.073 nan 8.240 nan 0.000 0.558 358 S N -0.554 115.170 115.700 0.040 0.000 3.127 358 S HA 0.371 4.842 4.470 0.001 0.000 0.314 358 S C -0.478 174.157 174.600 0.057 0.000 1.238 358 S CA -0.685 57.549 58.200 0.056 0.000 1.074 358 S CB 0.636 63.887 63.200 0.085 0.000 1.417 358 S HN 0.017 nan 8.310 nan 0.000 0.597 359 D N -0.700 119.750 120.400 0.082 0.000 2.431 359 D HA 0.173 4.814 4.640 0.001 0.000 0.227 359 D C 1.357 177.722 176.300 0.109 0.000 1.030 359 D CA 0.504 54.553 54.000 0.082 0.000 0.897 359 D CB 0.005 40.854 40.800 0.083 0.000 1.058 359 D HN 0.470 nan 8.370 nan 0.000 0.500 360 Y N 2.444 122.758 120.300 0.023 0.000 2.184 360 Y HA -0.077 4.474 4.550 0.001 0.000 0.290 360 Y C 1.303 177.218 175.900 0.025 0.000 1.129 360 Y CA 1.333 59.449 58.100 0.027 0.000 1.144 360 Y CB -0.057 38.421 38.460 0.031 0.000 0.995 360 Y HN -0.208 nan 8.280 nan 0.000 0.513 361 D N 0.119 120.419 120.400 -0.167 0.000 2.371 361 D HA -0.052 4.589 4.640 0.001 0.000 0.234 361 D C 1.655 177.868 176.300 -0.145 0.000 1.049 361 D CA 0.534 54.399 54.000 -0.225 0.000 0.907 361 D CB 0.016 40.775 40.800 -0.069 0.000 0.891 361 D HN 0.477 nan 8.370 nan 0.000 0.531 362 R N 0.110 120.546 120.500 -0.106 0.000 2.164 362 R HA 0.044 4.385 4.340 0.001 0.000 0.198 362 R C 1.806 178.062 176.300 -0.072 0.000 1.028 362 R CA 0.117 56.180 56.100 -0.061 0.000 1.083 362 R CB 0.555 30.846 30.300 -0.014 0.000 1.026 362 R HN -0.002 nan 8.270 nan 0.000 0.514 363 E N 1.390 121.546 120.200 -0.073 0.000 2.005 363 E HA -0.261 4.089 4.350 0.001 0.000 0.198 363 E C 1.771 178.318 176.600 -0.089 0.000 1.010 363 E CA 2.165 58.535 56.400 -0.050 0.000 0.825 363 E CB -0.058 29.648 29.700 0.010 0.000 0.769 363 E HN 0.254 nan 8.360 nan 0.000 0.456 364 K N 0.846 121.141 120.400 -0.177 0.000 2.160 364 K HA -0.178 4.142 4.320 0.001 0.000 0.206 364 K C 2.041 178.562 176.600 -0.132 0.000 1.047 364 K CA 1.289 57.475 56.287 -0.168 0.000 0.930 364 K CB -0.201 32.128 32.500 -0.285 0.000 0.720 364 K HN 0.024 nan 8.250 nan 0.000 0.450 365 L N 2.298 123.439 121.223 -0.137 0.000 2.005 365 L HA -0.173 4.167 4.340 0.001 0.000 0.207 365 L C 2.904 179.734 176.870 -0.067 0.000 1.072 365 L CA 2.208 56.989 54.840 -0.098 0.000 0.744 365 L CB -1.448 40.557 42.059 -0.090 0.000 0.895 365 L HN 0.591 nan 8.230 nan 0.000 0.433 366 Q N -0.595 119.171 119.800 -0.056 0.000 2.436 366 Q HA -0.173 4.167 4.340 0.001 0.000 0.209 366 Q C 1.478 177.458 176.000 -0.034 0.000 0.965 366 Q CA 0.991 56.771 55.803 -0.039 0.000 0.910 366 Q CB -0.122 28.599 28.738 -0.030 0.000 0.980 366 Q HN 0.546 nan 8.270 nan 0.000 0.491 367 E N 1.229 121.406 120.200 -0.039 0.000 2.028 367 E HA -0.100 4.251 4.350 0.001 0.000 0.191 367 E C 2.136 178.719 176.600 -0.029 0.000 0.988 367 E CA 0.815 57.198 56.400 -0.028 0.000 0.799 367 E CB 0.063 29.746 29.700 -0.027 0.000 0.755 367 E HN 0.328 nan 8.360 nan 0.000 0.447 368 R N 0.491 120.964 120.500 -0.045 0.000 2.096 368 R HA -0.135 4.206 4.340 0.001 0.000 0.235 368 R C 2.647 178.926 176.300 -0.036 0.000 1.127 368 R CA 1.387 57.459 56.100 -0.047 0.000 0.968 368 R CB -0.423 29.837 30.300 -0.067 0.000 0.861 368 R HN 0.211 nan 8.270 nan 0.000 0.440 369 V N -1.811 118.082 119.914 -0.034 0.000 2.407 369 V HA -0.125 3.996 4.120 0.001 0.000 0.248 369 V C 2.107 178.190 176.094 -0.018 0.000 1.055 369 V CA 1.864 64.148 62.300 -0.026 0.000 1.049 369 V CB -0.769 31.039 31.823 -0.025 0.000 0.662 369 V HN 0.265 nan 8.190 nan 0.000 0.455 370 A N 0.507 123.318 122.820 -0.016 0.000 1.930 370 A HA -0.098 4.223 4.320 0.001 0.000 0.217 370 A C 2.290 179.872 177.584 -0.004 0.000 1.175 370 A CA 1.819 53.850 52.037 -0.010 0.000 0.627 370 A CB -0.532 18.463 19.000 -0.009 0.000 0.815 370 A HN 0.618 nan 8.150 nan 0.000 0.443 371 K N -0.541 119.858 120.400 -0.002 0.000 2.148 371 K HA 0.057 4.378 4.320 0.001 0.000 0.204 371 K C 1.485 178.088 176.600 0.005 0.000 1.050 371 K CA 1.069 57.362 56.287 0.009 0.000 0.942 371 K CB -0.195 32.313 32.500 0.012 0.000 0.724 371 K HN 0.445 nan 8.250 nan 0.000 0.446 372 L N -0.750 120.469 121.223 -0.007 0.000 2.463 372 L HA 0.100 4.441 4.340 0.001 0.000 0.219 372 L C 1.774 178.640 176.870 -0.007 0.000 1.088 372 L CA 0.066 54.901 54.840 -0.009 0.000 0.849 372 L CB 0.132 42.180 42.059 -0.018 0.000 1.012 372 L HN 0.137 nan 8.230 nan 0.000 0.468 373 A N -0.317 122.499 122.820 -0.007 0.000 2.284 373 A HA 0.531 4.852 4.320 0.001 0.000 0.219 373 A C 1.476 179.058 177.584 -0.004 0.000 2.353 373 A CA 0.624 52.657 52.037 -0.006 0.000 1.164 373 A CB -1.108 17.887 19.000 -0.009 0.000 1.293 373 A HN 0.200 nan 8.150 nan 0.000 0.586 374 G N -0.903 107.894 108.800 -0.004 0.000 3.152 374 G HA2 0.454 4.415 3.960 0.001 0.000 0.157 374 G HA3 0.454 4.415 3.960 0.001 0.000 0.157 374 G C 0.451 175.350 174.900 -0.001 0.000 1.786 374 G CA 0.367 45.465 45.100 -0.003 0.000 1.055 374 G HN 1.208 nan 8.290 nan 0.000 0.528 375 G N -2.370 106.429 108.800 -0.002 0.000 2.730 375 G HA2 0.516 4.476 3.960 0.001 0.000 0.289 375 G HA3 0.516 4.476 3.960 0.001 0.000 0.289 375 G C -1.829 173.071 174.900 -0.001 0.000 1.341 375 G CA -0.358 44.742 45.100 0.000 0.000 0.932 375 G HN 0.632 nan 8.290 nan 0.000 0.481 376 V N 0.309 120.223 119.914 0.001 0.000 2.417 376 V HA 0.734 4.854 4.120 0.001 0.000 0.291 376 V C 0.306 176.399 176.094 -0.002 0.000 1.024 376 V CA -0.557 61.744 62.300 0.001 0.000 0.861 376 V CB 1.049 32.876 31.823 0.006 0.000 0.985 376 V HN 1.138 nan 8.190 nan 0.000 0.436 377 A N 4.534 127.351 122.820 -0.004 0.000 2.355 377 A HA 0.932 5.252 4.320 0.001 0.000 0.324 377 A C -1.007 176.574 177.584 -0.005 0.000 1.117 377 A CA -0.605 51.429 52.037 -0.005 0.000 0.785 377 A CB 1.872 20.868 19.000 -0.007 0.000 1.254 377 A HN 0.653 nan 8.150 nan 0.000 0.453 378 V N 2.817 122.729 119.914 -0.004 0.000 2.588 378 V HA 0.413 4.533 4.120 0.001 0.000 0.304 378 V C -0.556 175.536 176.094 -0.002 0.000 1.042 378 V CA -0.220 62.079 62.300 -0.003 0.000 0.877 378 V CB 1.651 33.473 31.823 -0.001 0.000 0.996 378 V HN 0.789 nan 8.190 nan 0.000 0.425 379 I N 4.412 124.981 120.570 -0.002 0.000 2.377 379 I HA 0.444 4.614 4.170 0.001 0.000 0.293 379 I C -0.070 176.049 176.117 0.003 0.000 0.987 379 I CA -0.506 60.794 61.300 -0.000 0.000 1.185 379 I CB 1.561 39.561 38.000 -0.000 0.000 1.341 379 I HN 0.495 nan 8.210 nan 0.000 0.455 380 K N 5.844 126.245 120.400 0.002 0.000 2.339 380 K HA 0.490 4.810 4.320 0.001 0.000 0.264 380 K C -1.057 175.546 176.600 0.004 0.000 0.986 380 K CA -0.660 55.629 56.287 0.004 0.000 0.866 380 K CB 1.964 34.465 32.500 0.002 0.000 1.103 380 K HN 0.282 nan 8.250 nan 0.000 0.441 381 V N 2.108 122.026 119.914 0.007 0.000 2.498 381 V HA 0.331 4.451 4.120 0.001 0.000 0.279 381 V C 0.817 176.914 176.094 0.006 0.000 1.048 381 V CA -0.763 61.541 62.300 0.007 0.000 0.967 381 V CB 1.233 33.062 31.823 0.010 0.000 0.988 381 V HN 0.890 nan 8.190 nan 0.000 0.473 382 G N 2.519 111.322 108.800 0.005 0.000 2.389 382 G HA2 0.760 4.721 3.960 0.001 0.000 0.317 382 G HA3 0.760 4.721 3.960 0.001 0.000 0.317 382 G C -0.598 174.305 174.900 0.004 0.000 1.137 382 G CA -0.071 45.031 45.100 0.004 0.000 0.870 382 G HN 1.303 nan 8.290 nan 0.000 0.496 383 A N 0.105 122.928 122.820 0.004 0.000 2.594 383 A HA 0.740 5.061 4.320 0.001 0.000 0.296 383 A C 0.648 178.234 177.584 0.003 0.000 1.061 383 A CA 0.313 52.352 52.037 0.004 0.000 0.689 383 A CB 0.939 19.942 19.000 0.005 0.000 1.280 383 A HN 1.760 nan 8.150 nan 0.000 0.406 384 A N 0.822 123.643 122.820 0.002 0.000 1.898 384 A HA 0.339 4.659 4.320 0.001 0.000 0.216 384 A C 1.437 179.023 177.584 0.002 0.000 1.181 384 A CA 2.474 54.512 52.037 0.002 0.000 0.620 384 A CB -0.690 18.311 19.000 0.001 0.000 0.819 384 A HN 1.809 nan 8.150 nan 0.000 0.442 385 T N -4.572 109.984 114.554 0.003 0.000 2.804 385 T HA 0.533 4.883 4.350 0.001 0.000 0.272 385 T C 0.543 175.246 174.700 0.005 0.000 0.986 385 T CA -0.056 62.047 62.100 0.003 0.000 0.999 385 T CB 1.669 70.538 68.868 0.002 0.000 1.307 385 T HN 0.182 nan 8.240 nan 0.000 0.586 386 E N -0.462 119.742 120.200 0.006 0.000 2.251 386 E HA 0.039 4.389 4.350 0.001 0.000 0.194 386 E C 2.154 178.759 176.600 0.009 0.000 0.964 386 E CA 0.422 56.828 56.400 0.009 0.000 0.868 386 E CB 0.145 29.852 29.700 0.012 0.000 0.828 386 E HN 0.552 nan 8.360 nan 0.000 0.481 387 V N -0.176 119.741 119.914 0.005 0.000 2.594 387 V HA -0.180 3.941 4.120 0.001 0.000 0.253 387 V C 2.052 178.148 176.094 0.003 0.000 1.069 387 V CA 1.849 64.150 62.300 0.003 0.000 1.082 387 V CB -0.509 31.313 31.823 -0.002 0.000 0.680 387 V HN 0.171 nan 8.190 nan 0.000 0.469 388 E N -0.272 119.930 120.200 0.004 0.000 2.102 388 E HA -0.130 4.220 4.350 0.001 0.000 0.190 388 E C 2.095 178.698 176.600 0.006 0.000 0.971 388 E CA 1.001 57.403 56.400 0.004 0.000 0.821 388 E CB -0.055 29.646 29.700 0.003 0.000 0.777 388 E HN 0.504 nan 8.360 nan 0.000 0.460 389 M N 1.582 121.187 119.600 0.008 0.000 2.082 389 M HA -0.200 4.280 4.480 0.001 0.000 0.258 389 M C 1.825 178.133 176.300 0.013 0.000 1.069 389 M CA 1.726 57.032 55.300 0.010 0.000 1.102 389 M CB -0.116 32.490 32.600 0.011 0.000 1.336 389 M HN -0.117 nan 8.290 nan 0.000 0.404 390 K N -0.280 120.128 120.400 0.014 0.000 2.001 390 K HA -0.257 4.063 4.320 0.001 0.000 0.214 390 K C 2.001 178.610 176.600 0.015 0.000 1.050 390 K CA 2.208 58.505 56.287 0.017 0.000 0.934 390 K CB -0.604 31.907 32.500 0.018 0.000 0.718 390 K HN 0.546 nan 8.250 nan 0.000 0.443 391 E N 1.705 121.911 120.200 0.011 0.000 2.051 391 E HA -0.235 4.116 4.350 0.001 0.000 0.192 391 E C 1.945 178.551 176.600 0.011 0.000 0.991 391 E CA 1.884 58.289 56.400 0.009 0.000 0.799 391 E CB -0.115 29.588 29.700 0.004 0.000 0.748 391 E HN 0.107 nan 8.360 nan 0.000 0.449 392 K N 0.893 121.299 120.400 0.010 0.000 2.026 392 K HA -0.187 4.133 4.320 0.001 0.000 0.208 392 K C 2.180 178.789 176.600 0.016 0.000 1.048 392 K CA 2.064 58.358 56.287 0.011 0.000 0.929 392 K CB -0.308 32.197 32.500 0.009 0.000 0.713 392 K HN 0.157 nan 8.250 nan 0.000 0.439 393 K N -0.188 120.222 120.400 0.017 0.000 2.032 393 K HA -0.134 4.187 4.320 0.001 0.000 0.209 393 K C 1.939 178.557 176.600 0.030 0.000 1.048 393 K CA 1.521 57.821 56.287 0.022 0.000 0.927 393 K CB -0.418 32.095 32.500 0.022 0.000 0.712 393 K HN 0.220 nan 8.250 nan 0.000 0.441 394 A N 1.287 124.124 122.820 0.028 0.000 1.908 394 A HA -0.189 4.132 4.320 0.001 0.000 0.218 394 A C 2.150 179.755 177.584 0.035 0.000 1.181 394 A CA 1.733 53.789 52.037 0.032 0.000 0.627 394 A CB -0.554 18.459 19.000 0.021 0.000 0.818 394 A HN 0.374 nan 8.150 nan 0.000 0.445 395 R N -0.749 119.767 120.500 0.027 0.000 2.081 395 R HA -0.085 4.255 4.340 0.001 0.000 0.235 395 R C 2.055 178.378 176.300 0.038 0.000 1.131 395 R CA 1.497 57.613 56.100 0.028 0.000 0.960 395 R CB -0.551 29.760 30.300 0.018 0.000 0.856 395 R HN 0.417 nan 8.270 nan 0.000 0.436 396 V N 1.474 121.409 119.914 0.034 0.000 2.392 396 V HA -0.234 3.887 4.120 0.001 0.000 0.249 396 V C 2.158 178.283 176.094 0.052 0.000 1.059 396 V CA 1.745 64.066 62.300 0.034 0.000 1.051 396 V CB -0.486 31.351 31.823 0.023 0.000 0.658 396 V HN 0.335 nan 8.190 nan 0.000 0.455 397 E N 0.054 120.297 120.200 0.072 0.000 2.077 397 E HA -0.260 4.091 4.350 0.001 0.000 0.193 397 E C 2.004 178.755 176.600 0.251 0.000 0.989 397 E CA 1.640 58.119 56.400 0.132 0.000 0.800 397 E CB -0.290 29.494 29.700 0.140 0.000 0.746 397 E HN 0.618 nan 8.360 nan 0.000 0.452 398 D N 0.434 120.928 120.400 0.156 0.000 2.116 398 D HA -0.159 4.481 4.640 0.001 0.000 0.193 398 D C 1.830 178.213 176.300 0.138 0.000 0.998 398 D CA 1.816 55.890 54.000 0.123 0.000 0.836 398 D CB -0.084 40.747 40.800 0.051 0.000 0.951 398 D HN 0.183 nan 8.370 nan 0.000 0.449 399 A N 0.180 123.055 122.820 0.091 0.000 1.897 399 A HA -0.055 4.265 4.320 0.001 0.000 0.215 399 A C 2.159 179.781 177.584 0.062 0.000 1.181 399 A CA 0.499 52.575 52.037 0.065 0.000 0.620 399 A CB -0.681 18.342 19.000 0.039 0.000 0.821 399 A HN 0.285 nan 8.150 nan 0.000 0.443 400 L N -0.507 120.745 121.223 0.048 0.000 2.051 400 L HA -0.286 4.055 4.340 0.001 0.000 0.214 400 L C 2.375 179.221 176.870 -0.041 0.000 1.076 400 L CA 2.623 57.454 54.840 -0.014 0.000 0.758 400 L CB -0.954 41.070 42.059 -0.059 0.000 0.890 400 L HN 0.574 nan 8.230 nan 0.000 0.433 401 H N -1.033 118.045 119.070 0.014 0.000 2.326 401 H HA -0.044 4.512 4.556 0.001 0.000 0.301 401 H C 2.209 177.548 175.328 0.017 0.000 1.081 401 H CA 1.587 57.645 56.048 0.016 0.000 1.334 401 H CB -0.045 29.728 29.762 0.018 0.000 1.385 401 H HN 0.449 nan 8.280 nan 0.000 0.504 402 A N 0.296 123.208 122.820 0.153 0.000 1.902 402 A HA -0.223 4.097 4.320 0.001 0.000 0.217 402 A C 2.486 180.104 177.584 0.057 0.000 1.181 402 A CA 2.213 54.304 52.037 0.089 0.000 0.623 402 A CB -1.183 17.857 19.000 0.066 0.000 0.818 402 A HN 0.619 nan 8.150 nan 0.000 0.443 403 T N -1.374 113.205 114.554 0.042 0.000 2.652 403 T HA -0.225 4.126 4.350 0.001 0.000 0.267 403 T C 1.901 176.613 174.700 0.020 0.000 1.039 403 T CA 1.283 63.397 62.100 0.023 0.000 1.153 403 T CB -0.531 68.344 68.868 0.011 0.000 0.863 403 T HN 0.470 nan 8.240 nan 0.000 0.428 404 R N 1.608 122.117 120.500 0.014 0.000 2.170 404 R HA 0.025 4.365 4.340 0.001 0.000 0.242 404 R C 2.735 179.052 176.300 0.028 0.000 1.145 404 R CA 1.326 57.432 56.100 0.009 0.000 0.984 404 R CB -0.758 29.535 30.300 -0.011 0.000 0.869 404 R HN 0.632 nan 8.270 nan 0.000 0.455 405 A N 0.717 123.564 122.820 0.044 0.000 1.935 405 A HA 0.144 4.465 4.320 0.001 0.000 0.214 405 A C 2.326 179.930 177.584 0.033 0.000 1.178 405 A CA 0.953 53.018 52.037 0.047 0.000 0.640 405 A CB -0.210 18.828 19.000 0.062 0.000 0.825 405 A HN 0.303 nan 8.150 nan 0.000 0.447 406 A N -0.304 122.534 122.820 0.030 0.000 1.902 406 A HA -0.010 4.311 4.320 0.001 0.000 0.217 406 A C 2.171 179.765 177.584 0.017 0.000 1.181 406 A CA 1.796 53.846 52.037 0.022 0.000 0.623 406 A CB -0.865 18.147 19.000 0.020 0.000 0.818 406 A HN 0.346 nan 8.150 nan 0.000 0.443 407 V N 1.097 121.021 119.914 0.016 0.000 2.427 407 V HA -0.261 3.860 4.120 0.001 0.000 0.248 407 V C 2.512 178.612 176.094 0.011 0.000 1.051 407 V CA 2.298 64.605 62.300 0.011 0.000 1.048 407 V CB -0.849 30.978 31.823 0.007 0.000 0.666 407 V HN 0.912 nan 8.190 nan 0.000 0.456 408 E N -0.171 120.038 120.200 0.015 0.000 2.250 408 E HA -0.128 4.223 4.350 0.001 0.000 0.192 408 E C 1.758 178.366 176.600 0.014 0.000 0.986 408 E CA 1.082 57.491 56.400 0.014 0.000 0.849 408 E CB 0.037 29.747 29.700 0.017 0.000 0.797 408 E HN 0.644 nan 8.360 nan 0.000 0.482 409 E N 0.076 120.286 120.200 0.016 0.000 2.606 409 E HA 0.218 4.568 4.350 0.001 0.000 0.224 409 E C 0.209 176.817 176.600 0.013 0.000 0.930 409 E CA 0.328 56.737 56.400 0.015 0.000 1.125 409 E CB 1.159 30.869 29.700 0.017 0.000 1.123 409 E HN 0.333 nan 8.360 nan 0.000 0.522 410 G N 0.296 109.104 108.800 0.014 0.000 2.660 410 G HA2 -0.175 3.786 3.960 0.001 0.000 0.247 410 G HA3 -0.175 3.786 3.960 0.001 0.000 0.247 410 G C -0.539 174.369 174.900 0.015 0.000 1.328 410 G CA -0.528 44.580 45.100 0.013 0.000 0.884 410 G HN 0.607 nan 8.290 nan 0.000 0.531 411 V N -2.657 117.265 119.914 0.014 0.000 3.040 411 V HA 0.989 5.110 4.120 0.001 0.000 0.312 411 V C 0.652 176.755 176.094 0.016 0.000 1.115 411 V CA 0.032 62.342 62.300 0.015 0.000 0.998 411 V CB 1.127 32.959 31.823 0.015 0.000 1.042 411 V HN 2.464 nan 8.190 nan 0.000 0.433 412 V N -1.228 118.696 119.914 0.017 0.000 3.156 412 V HA 1.034 5.154 4.120 0.001 0.000 0.310 412 V C 0.247 176.353 176.094 0.021 0.000 1.234 412 V CA -0.678 61.634 62.300 0.019 0.000 1.065 412 V CB 1.421 33.255 31.823 0.018 0.000 1.088 412 V HN 1.929 nan 8.190 nan 0.000 0.451 413 A N 0.609 123.444 122.820 0.024 0.000 2.362 413 A HA 0.773 5.094 4.320 0.001 0.000 0.276 413 A C 0.744 178.343 177.584 0.024 0.000 1.153 413 A CA 0.380 52.432 52.037 0.026 0.000 0.813 413 A CB -0.114 18.908 19.000 0.036 0.000 1.081 413 A HN 1.921 nan 8.150 nan 0.000 0.507 414 G N 0.751 109.562 108.800 0.018 0.000 2.516 414 G HA2 0.485 4.446 3.960 0.001 0.000 0.276 414 G HA3 0.485 4.446 3.960 0.001 0.000 0.276 414 G C 1.161 176.073 174.900 0.021 0.000 1.390 414 G CA 0.045 45.155 45.100 0.017 0.000 1.050 414 G HN 2.230 nan 8.290 nan 0.000 0.519 415 G N -2.238 106.575 108.800 0.021 0.000 2.168 415 G HA2 0.197 4.158 3.960 0.001 0.000 0.257 415 G HA3 0.197 4.158 3.960 0.001 0.000 0.257 415 G C 1.497 176.423 174.900 0.043 0.000 0.997 415 G CA 1.118 46.240 45.100 0.036 0.000 0.708 415 G HN 2.498 nan 8.290 nan 0.000 0.520 416 G N -2.084 106.736 108.800 0.034 0.000 2.203 416 G HA2 -0.093 3.868 3.960 0.001 0.000 0.263 416 G HA3 -0.093 3.868 3.960 0.001 0.000 0.263 416 G C 1.701 176.623 174.900 0.037 0.000 1.012 416 G CA 1.682 46.802 45.100 0.033 0.000 0.749 416 G HN 2.026 nan 8.290 nan 0.000 0.512 417 V N -0.027 119.912 119.914 0.041 0.000 2.270 417 V HA 0.114 4.234 4.120 0.001 0.000 0.245 417 V C 2.994 179.113 176.094 0.041 0.000 1.043 417 V CA 2.779 65.108 62.300 0.047 0.000 1.014 417 V CB -0.746 31.109 31.823 0.053 0.000 0.645 417 V HN 1.461 nan 8.190 nan 0.000 0.447 418 A N 0.128 122.969 122.820 0.035 0.000 1.881 418 A HA -0.274 4.047 4.320 0.001 0.000 0.219 418 A C 2.188 179.787 177.584 0.026 0.000 1.215 418 A CA 2.653 54.707 52.037 0.029 0.000 0.648 418 A CB -1.070 17.944 19.000 0.024 0.000 0.832 418 A HN 0.563 nan 8.150 nan 0.000 0.455 419 L N -0.988 120.249 121.223 0.024 0.000 2.042 419 L HA -0.125 4.216 4.340 0.001 0.000 0.210 419 L C 2.390 179.273 176.870 0.022 0.000 1.076 419 L CA 1.852 56.704 54.840 0.020 0.000 0.749 419 L CB -0.677 41.393 42.059 0.018 0.000 0.893 419 L HN 0.484 nan 8.230 nan 0.000 0.432 420 I N -1.480 119.107 120.570 0.028 0.000 2.454 420 I HA -0.286 3.884 4.170 0.001 0.000 0.254 420 I C 2.434 178.570 176.117 0.030 0.000 1.156 420 I CA 0.796 62.114 61.300 0.029 0.000 1.433 420 I CB -0.113 37.909 38.000 0.037 0.000 1.082 420 I HN 0.179 nan 8.210 nan 0.000 0.432 421 R N -0.105 120.415 120.500 0.033 0.000 2.062 421 R HA -0.056 4.284 4.340 0.001 0.000 0.229 421 R C 2.317 178.630 176.300 0.023 0.000 1.128 421 R CA 1.710 57.830 56.100 0.033 0.000 0.960 421 R CB -1.320 29.002 30.300 0.037 0.000 0.855 421 R HN 0.425 nan 8.270 nan 0.000 0.432 422 V N -0.222 119.704 119.914 0.019 0.000 2.626 422 V HA -0.016 4.105 4.120 0.001 0.000 0.252 422 V C 1.939 178.039 176.094 0.011 0.000 1.067 422 V CA 1.838 64.146 62.300 0.013 0.000 1.081 422 V CB -0.640 31.188 31.823 0.009 0.000 0.686 422 V HN 0.207 nan 8.190 nan 0.000 0.468 423 A N 1.442 124.270 122.820 0.013 0.000 1.972 423 A HA -0.149 4.171 4.320 0.001 0.000 0.219 423 A C 2.576 180.167 177.584 0.010 0.000 1.169 423 A CA 2.442 54.486 52.037 0.011 0.000 0.635 423 A CB -0.945 18.063 19.000 0.012 0.000 0.810 423 A HN 1.016 nan 8.150 nan 0.000 0.446 424 S N -0.666 115.042 115.700 0.013 0.000 2.436 424 S HA -0.036 4.435 4.470 0.001 0.000 0.228 424 S C 1.744 176.349 174.600 0.009 0.000 1.014 424 S CA 1.173 59.379 58.200 0.011 0.000 0.950 424 S CB -0.193 63.015 63.200 0.013 0.000 0.784 424 S HN 0.511 nan 8.310 nan 0.000 0.504 425 K N 1.008 121.414 120.400 0.009 0.000 2.209 425 K HA 0.182 4.503 4.320 0.001 0.000 0.204 425 K C 1.169 177.772 176.600 0.005 0.000 1.048 425 K CA 0.981 57.272 56.287 0.007 0.000 0.940 425 K CB -0.287 32.218 32.500 0.008 0.000 0.729 425 K HN 0.425 nan 8.250 nan 0.000 0.451 426 L N -0.362 120.864 121.223 0.005 0.000 2.741 426 L HA 0.236 4.576 4.340 0.001 0.000 0.237 426 L C 1.566 178.438 176.870 0.003 0.000 1.178 426 L CA -0.303 54.539 54.840 0.003 0.000 0.973 426 L CB 0.149 42.209 42.059 0.003 0.000 1.255 426 L HN 0.064 nan 8.230 nan 0.000 0.498 427 A N -0.064 122.759 122.820 0.004 0.000 2.076 427 A HA -0.182 4.138 4.320 0.001 0.000 0.220 427 A C 1.492 179.077 177.584 0.002 0.000 1.160 427 A CA 1.633 53.672 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 0.354 nan 8.150 nan 0.000 0.455 428 D N -1.429 118.972 120.400 0.002 0.000 2.398 428 D HA 0.195 4.835 4.640 0.001 0.000 0.210 428 D C -0.140 176.161 176.300 0.001 0.000 1.094 428 D CA -0.301 53.700 54.000 0.001 0.000 0.839 428 D CB 0.085 40.885 40.800 0.001 0.000 0.963 428 D HN 0.273 nan 8.370 nan 0.000 0.506 429 L N 1.969 123.193 121.223 0.001 0.000 2.455 429 L HA 0.131 4.471 4.340 0.001 0.000 0.272 429 L C 0.357 177.228 176.870 0.001 0.000 1.174 429 L CA 0.585 55.425 54.840 0.001 0.000 0.869 429 L CB 0.090 42.150 42.059 0.001 0.000 1.130 429 L HN -0.186 nan 8.230 nan 0.000 0.474 430 R N 2.924 123.425 120.500 0.001 0.000 2.912 430 R HA 0.746 5.087 4.340 0.001 0.000 0.262 430 R C -0.260 176.041 176.300 0.001 0.000 1.057 430 R CA -0.558 55.542 56.100 0.001 0.000 0.981 430 R CB 1.529 31.830 30.300 0.001 0.000 1.201 430 R HN 0.771 nan 8.270 nan 0.000 0.484 431 G N -0.395 108.406 108.800 0.002 0.000 3.075 431 G HA2 0.193 4.153 3.960 0.001 0.000 0.253 431 G HA3 0.193 4.153 3.960 0.001 0.000 0.253 431 G C 0.099 175.001 174.900 0.002 0.000 1.353 431 G CA -0.359 44.743 45.100 0.002 0.000 1.051 431 G HN 0.450 nan 8.290 nan 0.000 0.553 432 Q N -0.185 119.617 119.800 0.002 0.000 2.291 432 Q HA 0.033 4.374 4.340 0.001 0.000 0.205 432 Q C 0.507 176.508 176.000 0.002 0.000 0.970 432 Q CA 1.038 56.842 55.803 0.002 0.000 0.876 432 Q CB -0.032 28.708 28.738 0.003 0.000 0.935 432 Q HN 0.585 nan 8.270 nan 0.000 0.455 433 N N -1.731 116.970 118.700 0.003 0.000 2.961 433 N HA -0.029 4.712 4.740 0.001 0.000 0.245 433 N C -0.080 175.432 175.510 0.003 0.000 1.404 433 N CA -0.287 52.765 53.050 0.003 0.000 0.880 433 N CB 1.145 39.634 38.487 0.003 0.000 1.461 433 N HN -0.203 nan 8.380 nan 0.000 0.510 434 E N 0.476 120.678 120.200 0.002 0.000 2.118 434 E HA -0.150 4.201 4.350 0.001 0.000 0.195 434 E C 0.513 177.115 176.600 0.003 0.000 0.992 434 E CA 1.886 58.288 56.400 0.002 0.000 0.804 434 E CB -0.209 29.492 29.700 0.002 0.000 0.741 434 E HN 0.559 nan 8.360 nan 0.000 0.458 435 D N 0.270 120.672 120.400 0.004 0.000 2.092 435 D HA -0.193 4.448 4.640 0.001 0.000 0.193 435 D C 1.921 178.224 176.300 0.005 0.000 0.994 435 D CA 1.258 55.261 54.000 0.004 0.000 0.828 435 D CB -0.414 40.389 40.800 0.005 0.000 0.963 435 D HN 0.355 nan 8.370 nan 0.000 0.450 436 Q N -0.063 119.740 119.800 0.004 0.000 2.197 436 Q HA -0.163 4.177 4.340 0.001 0.000 0.207 436 Q C 1.699 177.702 176.000 0.004 0.000 0.984 436 Q CA 0.943 56.748 55.803 0.004 0.000 0.869 436 Q CB -0.023 28.717 28.738 0.004 0.000 0.906 436 Q HN 0.265 nan 8.270 nan 0.000 0.426 437 N N -0.447 118.255 118.700 0.003 0.000 2.171 437 N HA -0.094 4.646 4.740 0.001 0.000 0.184 437 N C 1.758 177.270 175.510 0.003 0.000 1.021 437 N CA 0.843 53.895 53.050 0.003 0.000 0.854 437 N CB -0.236 38.253 38.487 0.002 0.000 0.994 437 N HN 0.030 nan 8.380 nan 0.000 0.426 438 V N 0.762 120.678 119.914 0.004 0.000 2.490 438 V HA -0.120 4.000 4.120 0.001 0.000 0.250 438 V C 2.335 178.432 176.094 0.005 0.000 1.061 438 V CA 1.904 64.207 62.300 0.004 0.000 1.064 438 V CB -1.158 30.668 31.823 0.004 0.000 0.670 438 V HN 0.338 nan 8.190 nan 0.000 0.461 439 G N -0.097 108.706 108.800 0.005 0.000 2.418 439 G HA2 -0.205 3.756 3.960 0.001 0.000 0.217 439 G HA3 -0.205 3.756 3.960 0.001 0.000 0.217 439 G C 1.581 176.484 174.900 0.005 0.000 1.158 439 G CA 0.932 46.035 45.100 0.006 0.000 0.771 439 G HN 0.484 nan 8.290 nan 0.000 0.545 440 I N 0.050 120.622 120.570 0.004 0.000 2.179 440 I HA -0.110 4.060 4.170 0.001 0.000 0.242 440 I C 2.750 178.870 176.117 0.004 0.000 1.088 440 I CA 1.108 62.410 61.300 0.004 0.000 1.357 440 I CB -0.055 37.947 38.000 0.003 0.000 1.051 440 I HN 0.001 nan 8.210 nan 0.000 0.409 441 K N 0.463 120.866 120.400 0.004 0.000 2.097 441 K HA -0.104 4.217 4.320 0.001 0.000 0.206 441 K C 1.943 178.546 176.600 0.005 0.000 1.049 441 K CA 0.909 57.198 56.287 0.004 0.000 0.933 441 K CB -0.563 31.939 32.500 0.004 0.000 0.717 441 K HN 0.084 nan 8.250 nan 0.000 0.442 442 V N 0.583 120.501 119.914 0.006 0.000 2.252 442 V HA -0.336 3.785 4.120 0.001 0.000 0.249 442 V C 2.168 178.266 176.094 0.007 0.000 1.056 442 V CA 2.248 64.552 62.300 0.007 0.000 1.022 442 V CB -0.722 31.106 31.823 0.007 0.000 0.641 442 V HN 0.431 nan 8.190 nan 0.000 0.445 443 A N -0.674 122.149 122.820 0.007 0.000 1.898 443 A HA -0.115 4.206 4.320 0.001 0.000 0.216 443 A C 2.154 179.742 177.584 0.007 0.000 1.181 443 A CA 1.617 53.658 52.037 0.007 0.000 0.620 443 A CB -0.509 18.494 19.000 0.005 0.000 0.819 443 A HN 0.520 nan 8.150 nan 0.000 0.442 444 L N -1.247 119.980 121.223 0.006 0.000 2.079 444 L HA -0.202 4.138 4.340 0.001 0.000 0.210 444 L C 2.827 179.702 176.870 0.008 0.000 1.081 444 L CA 1.653 56.497 54.840 0.007 0.000 0.752 444 L CB -0.540 41.522 42.059 0.006 0.000 0.896 444 L HN 0.394 nan 8.230 nan 0.000 0.433 445 R N -0.113 120.391 120.500 0.007 0.000 2.090 445 R HA -0.084 4.256 4.340 0.001 0.000 0.228 445 R C 2.425 178.731 176.300 0.009 0.000 1.110 445 R CA 1.176 57.281 56.100 0.008 0.000 0.973 445 R CB -0.216 30.088 30.300 0.006 0.000 0.869 445 R HN 0.344 nan 8.270 nan 0.000 0.440 446 A N 0.451 123.276 122.820 0.010 0.000 1.972 446 A HA -0.168 4.152 4.320 0.001 0.000 0.219 446 A C 2.012 179.604 177.584 0.012 0.000 1.169 446 A CA 1.156 53.200 52.037 0.011 0.000 0.635 446 A CB -0.351 18.656 19.000 0.012 0.000 0.810 446 A HN 0.260 nan 8.150 nan 0.000 0.446 447 M N -0.432 119.175 119.600 0.012 0.000 2.530 447 M HA -0.157 4.323 4.480 0.001 0.000 0.261 447 M C 1.409 177.719 176.300 0.016 0.000 1.067 447 M CA 1.174 56.481 55.300 0.013 0.000 1.071 447 M CB -0.171 32.436 32.600 0.012 0.000 1.405 447 M HN 0.463 nan 8.290 nan 0.000 0.478 448 E N -0.708 119.501 120.200 0.014 0.000 2.478 448 E HA 0.025 4.376 4.350 0.001 0.000 0.194 448 E C 1.892 178.501 176.600 0.015 0.000 1.045 448 E CA 0.361 56.770 56.400 0.015 0.000 0.868 448 E CB 0.124 29.831 29.700 0.012 0.000 0.885 448 E HN 0.514 nan 8.360 nan 0.000 0.505 449 A N 2.285 125.114 122.820 0.015 0.000 1.855 449 A HA -0.088 4.233 4.320 0.001 0.000 0.215 449 A C -0.331 177.264 177.584 0.017 0.000 1.191 449 A CA 1.011 53.056 52.037 0.014 0.000 0.613 449 A CB -1.384 17.624 19.000 0.014 0.000 0.829 449 A HN 0.102 nan 8.150 nan 0.000 0.442 450 P HA -0.171 nan 4.420 nan 0.000 0.216 450 P C 1.761 179.077 177.300 0.026 0.000 1.153 450 P CA 0.989 64.102 63.100 0.023 0.000 0.858 450 P CB -0.102 31.612 31.700 0.024 0.000 0.789 451 L N -1.043 120.197 121.223 0.029 0.000 2.056 451 L HA -0.139 4.201 4.340 0.001 0.000 0.207 451 L C 2.439 179.325 176.870 0.026 0.000 1.078 451 L CA 1.626 56.488 54.840 0.037 0.000 0.749 451 L CB -0.208 41.874 42.059 0.039 0.000 0.901 451 L HN -0.207 nan 8.230 nan 0.000 0.433 452 R N -0.891 119.618 120.500 0.016 0.000 2.096 452 R HA -0.151 4.190 4.340 0.001 0.000 0.235 452 R C 2.367 178.672 176.300 0.008 0.000 1.127 452 R CA 1.202 57.306 56.100 0.006 0.000 0.968 452 R CB -0.156 30.146 30.300 0.003 0.000 0.861 452 R HN 0.386 nan 8.270 nan 0.000 0.440 453 Q N 0.362 120.170 119.800 0.014 0.000 2.123 453 Q HA -0.048 4.292 4.340 0.001 0.000 0.199 453 Q C 2.106 178.119 176.000 0.021 0.000 0.966 453 Q CA 1.239 57.050 55.803 0.015 0.000 0.845 453 Q CB -0.004 28.743 28.738 0.015 0.000 0.907 453 Q HN 0.396 nan 8.270 nan 0.000 0.439 454 I N -0.243 120.345 120.570 0.030 0.000 2.208 454 I HA -0.273 3.897 4.170 0.001 0.000 0.245 454 I C 2.149 178.299 176.117 0.054 0.000 1.097 454 I CA 0.853 62.178 61.300 0.042 0.000 1.363 454 I CB -0.090 37.943 38.000 0.055 0.000 1.051 454 I HN -0.015 nan 8.210 nan 0.000 0.413 455 V N 0.139 120.082 119.914 0.047 0.000 2.453 455 V HA -0.233 3.887 4.120 0.001 0.000 0.247 455 V C 2.252 178.357 176.094 0.019 0.000 1.048 455 V CA 1.139 63.460 62.300 0.036 0.000 1.049 455 V CB -0.357 31.443 31.823 -0.038 0.000 0.672 455 V HN 0.312 nan 8.190 nan 0.000 0.457 456 L N 0.724 121.953 121.223 0.010 0.000 2.083 456 L HA -0.117 4.224 4.340 0.001 0.000 0.209 456 L C 2.005 178.882 176.870 0.011 0.000 1.083 456 L CA 1.842 56.686 54.840 0.006 0.000 0.752 456 L CB -1.297 40.764 42.059 0.004 0.000 0.899 456 L HN 0.419 nan 8.230 nan 0.000 0.433 457 N N -2.111 116.599 118.700 0.016 0.000 2.520 457 N HA -0.159 4.582 4.740 0.001 0.000 0.185 457 N C 1.396 176.918 175.510 0.019 0.000 1.068 457 N CA 0.970 54.030 53.050 0.016 0.000 0.911 457 N CB -0.089 38.407 38.487 0.015 0.000 0.961 457 N HN 0.375 nan 8.380 nan 0.000 0.446 458 C N -0.297 119.021 119.300 0.030 0.000 2.697 458 C HA 0.272 4.733 4.460 0.001 0.000 0.267 458 C C 1.704 176.710 174.990 0.027 0.000 1.278 458 C CA -0.038 59.002 59.018 0.036 0.000 1.708 458 C CB -0.828 26.957 27.740 0.074 0.000 1.860 458 C HN 0.622 nan 8.230 nan 0.000 0.589 459 G N 1.549 110.360 108.800 0.017 0.000 2.143 459 G HA2 -0.214 3.747 3.960 0.001 0.000 0.248 459 G HA3 -0.214 3.747 3.960 0.001 0.000 0.248 459 G C -0.288 174.617 174.900 0.008 0.000 0.991 459 G CA 0.314 45.421 45.100 0.011 0.000 0.689 459 G HN 0.619 nan 8.290 nan 0.000 0.522 460 E N 0.062 120.266 120.200 0.006 0.000 2.264 460 E HA 0.474 4.824 4.350 0.001 0.000 0.260 460 E C -0.033 176.549 176.600 -0.031 0.000 0.961 460 E CA -0.890 55.502 56.400 -0.012 0.000 0.834 460 E CB 0.855 30.542 29.700 -0.022 0.000 1.230 460 E HN 0.413 nan 8.360 nan 0.000 0.412 461 E N 1.795 121.970 120.200 -0.042 0.000 2.166 461 E HA 0.052 4.402 4.350 0.001 0.000 0.279 461 E C -2.045 174.520 176.600 -0.058 0.000 1.095 461 E CA -1.468 54.909 56.400 -0.039 0.000 0.888 461 E CB 0.637 30.320 29.700 -0.028 0.000 1.041 461 E HN 0.247 nan 8.360 nan 0.000 0.414 462 P HA -0.137 nan 4.420 nan 0.000 0.219 462 P C 1.219 178.495 177.300 -0.041 0.000 1.150 462 P CA 1.012 64.085 63.100 -0.045 0.000 0.814 462 P CB 0.250 31.937 31.700 -0.022 0.000 0.787 463 S N -2.126 113.557 115.700 -0.030 0.000 2.558 463 S HA 0.047 4.517 4.470 0.001 0.000 0.217 463 S C 1.761 176.346 174.600 -0.025 0.000 0.975 463 S CA 0.149 58.337 58.200 -0.021 0.000 0.912 463 S CB -1.063 62.129 63.200 -0.013 0.000 0.776 463 S HN -0.063 nan 8.310 nan 0.000 0.526 464 V N 1.122 121.016 119.914 -0.034 0.000 2.426 464 V HA -0.007 4.114 4.120 0.001 0.000 0.242 464 V C 2.461 178.533 176.094 -0.036 0.000 1.036 464 V CA 0.976 63.258 62.300 -0.029 0.000 1.044 464 V CB -0.222 31.588 31.823 -0.022 0.000 0.688 464 V HN 0.395 nan 8.190 nan 0.000 0.462 465 V N 0.538 120.404 119.914 -0.081 0.000 2.261 465 V HA -0.273 3.847 4.120 0.001 0.000 0.246 465 V C 2.768 178.843 176.094 -0.032 0.000 1.047 465 V CA 2.201 64.440 62.300 -0.101 0.000 1.015 465 V CB -1.158 30.432 31.823 -0.388 0.000 0.642 465 V HN 0.552 nan 8.190 nan 0.000 0.446 466 A N 0.243 123.043 122.820 -0.034 0.000 1.903 466 A HA -0.346 3.974 4.320 0.001 0.000 0.219 466 A C 2.036 179.619 177.584 -0.001 0.000 1.191 466 A CA 2.612 54.646 52.037 -0.005 0.000 0.638 466 A CB -0.966 18.031 19.000 -0.004 0.000 0.823 466 A HN 0.601 nan 8.150 nan 0.000 0.451 467 N N -0.544 118.148 118.700 -0.013 0.000 2.061 467 N HA -0.155 4.585 4.740 0.001 0.000 0.193 467 N C 2.008 177.504 175.510 -0.024 0.000 1.030 467 N CA 2.521 55.562 53.050 -0.015 0.000 0.856 467 N CB -0.634 37.842 38.487 -0.019 0.000 1.023 467 N HN 0.731 nan 8.380 nan 0.000 0.424 468 T N -2.418 112.101 114.554 -0.058 0.000 2.985 468 T HA 0.037 4.387 4.350 0.001 0.000 0.266 468 T C 1.986 176.672 174.700 -0.022 0.000 1.076 468 T CA 0.805 62.838 62.100 -0.112 0.000 1.135 468 T CB -0.567 68.108 68.868 -0.321 0.000 0.890 468 T HN -0.075 nan 8.240 nan 0.000 0.480 469 V N 1.857 121.768 119.914 -0.005 0.000 2.358 469 V HA -0.113 4.007 4.120 0.001 0.000 0.246 469 V C 2.813 178.981 176.094 0.124 0.000 1.047 469 V CA 1.782 64.130 62.300 0.080 0.000 1.035 469 V CB -0.591 31.272 31.823 0.067 0.000 0.658 469 V HN 0.498 nan 8.190 nan 0.000 0.452 470 K N 0.354 120.791 120.400 0.062 0.000 2.152 470 K HA -0.129 4.192 4.320 0.001 0.000 0.206 470 K C 2.093 178.720 176.600 0.045 0.000 1.048 470 K CA 1.408 57.724 56.287 0.049 0.000 0.933 470 K CB -0.543 31.972 32.500 0.024 0.000 0.721 470 K HN 0.577 nan 8.250 nan 0.000 0.447 471 G N 0.679 109.503 108.800 0.039 0.000 2.598 471 G HA2 -0.049 3.912 3.960 0.001 0.000 0.215 471 G HA3 -0.049 3.912 3.960 0.001 0.000 0.215 471 G C 0.713 175.596 174.900 -0.027 0.000 1.131 471 G CA 0.566 45.667 45.100 0.002 0.000 0.785 471 G HN 0.357 nan 8.290 nan 0.000 0.539 472 G N -0.901 107.919 108.800 0.033 0.000 2.695 472 G HA2 0.531 4.491 3.960 0.001 0.000 0.213 472 G HA3 0.531 4.491 3.960 0.001 0.000 0.213 472 G C -1.123 173.774 174.900 -0.005 0.000 1.406 472 G CA -0.435 44.607 45.100 -0.098 0.000 1.049 472 G HN 0.113 nan 8.290 nan 0.000 0.573 473 D N -2.086 118.315 120.400 0.002 0.000 2.570 473 D HA 0.498 5.138 4.640 0.001 0.000 0.244 473 D C 0.879 177.222 176.300 0.072 0.000 1.178 473 D CA 0.567 54.583 54.000 0.025 0.000 0.881 473 D CB 1.644 42.433 40.800 -0.018 0.000 1.453 473 D HN 0.866 nan 8.370 nan 0.000 0.447 474 G N 1.557 110.391 108.800 0.056 0.000 2.660 474 G HA2 -0.378 3.582 3.960 0.001 0.000 0.321 474 G HA3 -0.378 3.582 3.960 0.001 0.000 0.321 474 G C 0.324 175.278 174.900 0.089 0.000 1.246 474 G CA 0.682 45.818 45.100 0.060 0.000 1.000 474 G HN 0.657 nan 8.290 nan 0.000 0.550 475 N N -0.024 118.736 118.700 0.100 0.000 2.295 475 N HA 0.284 5.025 4.740 0.001 0.000 0.221 475 N C -0.114 175.494 175.510 0.162 0.000 1.129 475 N CA -0.281 52.832 53.050 0.105 0.000 0.836 475 N CB 0.372 38.903 38.487 0.074 0.000 1.040 475 N HN 0.440 nan 8.380 nan 0.000 0.494 476 Y N 1.758 122.086 120.300 0.047 0.000 2.526 476 Y HA 0.372 4.922 4.550 0.000 0.000 0.330 476 Y C 0.594 176.555 175.900 0.101 0.000 1.156 476 Y CA 0.058 58.200 58.100 0.068 0.000 1.419 476 Y CB 0.353 38.841 38.460 0.047 0.000 1.250 476 Y HN 0.039 nan 8.280 nan 0.000 0.540 477 G N 4.117 112.782 108.800 -0.226 0.000 2.608 477 G HA2 0.282 4.243 3.960 0.001 0.000 0.291 477 G HA3 0.282 4.243 3.960 0.001 0.000 0.291 477 G C -2.496 172.378 174.900 -0.045 0.000 1.425 477 G CA -0.935 44.100 45.100 -0.108 0.000 0.787 477 G HN 0.513 nan 8.290 nan 0.000 0.484 478 Y N 1.490 121.737 120.300 -0.088 0.000 2.313 478 Y HA 0.524 5.075 4.550 0.001 0.000 0.332 478 Y C 0.197 176.001 175.900 -0.161 0.000 1.071 478 Y CA -1.452 56.546 58.100 -0.170 0.000 1.169 478 Y CB 1.423 39.800 38.460 -0.139 0.000 1.192 478 Y HN 0.413 nan 8.280 nan 0.000 0.487 479 N N 4.888 123.189 118.700 -0.665 0.000 2.521 479 N HA 0.172 4.912 4.740 0.001 0.000 0.236 479 N C 0.514 175.460 175.510 -0.940 0.000 1.067 479 N CA 0.535 53.232 53.050 -0.589 0.000 0.939 479 N CB 1.023 39.282 38.487 -0.379 0.000 1.201 479 N HN 0.898 nan 8.380 nan 0.000 0.511 480 A N 3.625 126.059 122.820 -0.644 0.000 1.978 480 A HA -0.122 4.199 4.320 0.001 0.000 0.220 480 A C 2.058 179.481 177.584 -0.269 0.000 1.170 480 A CA 1.877 53.676 52.037 -0.396 0.000 0.636 480 A CB -0.500 18.472 19.000 -0.048 0.000 0.810 480 A HN 0.679 nan 8.150 nan 0.000 0.448 481 A N -0.626 122.058 122.820 -0.227 0.000 1.898 481 A HA -0.025 4.296 4.320 0.001 0.000 0.216 481 A C 2.255 179.740 177.584 -0.165 0.000 1.181 481 A CA 2.218 54.165 52.037 -0.150 0.000 0.620 481 A CB -0.901 18.032 19.000 -0.111 0.000 0.819 481 A HN 0.820 nan 8.150 nan 0.000 0.442 482 T N -2.695 111.721 114.554 -0.231 0.000 3.069 482 T HA 0.226 4.577 4.350 0.001 0.000 0.252 482 T C 0.200 174.760 174.700 -0.234 0.000 1.053 482 T CA 0.611 62.596 62.100 -0.191 0.000 0.964 482 T CB -0.411 68.361 68.868 -0.159 0.000 1.005 482 T HN 0.633 nan 8.240 nan 0.000 0.532 483 E N 1.586 121.563 120.200 -0.373 0.000 2.440 483 E HA -0.223 4.128 4.350 0.001 0.000 0.246 483 E C -0.438 175.961 176.600 -0.334 0.000 1.165 483 E CA 0.923 57.105 56.400 -0.365 0.000 0.726 483 E CB -2.251 27.410 29.700 -0.066 0.000 1.271 483 E HN 0.950 nan 8.360 nan 0.000 0.397 484 E N -0.414 119.498 120.200 -0.480 0.000 2.367 484 E HA 0.524 4.875 4.350 0.001 0.000 0.273 484 E C -0.742 175.633 176.600 -0.376 0.000 0.903 484 E CA -1.023 55.180 56.400 -0.328 0.000 0.764 484 E CB 0.952 30.586 29.700 -0.110 0.000 1.252 484 E HN 0.079 nan 8.360 nan 0.000 0.446 485 Y N 0.244 120.549 120.300 0.007 0.000 2.300 485 Y HA 0.601 5.151 4.550 0.001 0.000 0.328 485 Y C 1.150 177.014 175.900 -0.059 0.000 1.270 485 Y CA 0.843 58.888 58.100 -0.092 0.000 1.352 485 Y CB 1.577 39.952 38.460 -0.143 0.000 1.286 485 Y HN 0.844 nan 8.280 nan 0.000 0.536 486 G N 0.495 109.322 108.800 0.045 0.000 2.325 486 G HA2 -0.004 3.957 3.960 0.001 0.000 0.295 486 G HA3 -0.004 3.957 3.960 0.001 0.000 0.295 486 G C -1.900 173.083 174.900 0.138 0.000 1.274 486 G CA -1.173 44.015 45.100 0.147 0.000 0.857 486 G HN 0.529 nan 8.290 nan 0.000 0.499 487 N N 1.170 119.949 118.700 0.133 0.000 2.401 487 N HA 0.117 4.857 4.740 0.001 0.000 0.255 487 N C 1.725 177.267 175.510 0.052 0.000 1.110 487 N CA -0.476 52.639 53.050 0.108 0.000 0.949 487 N CB 0.807 39.350 38.487 0.094 0.000 1.110 487 N HN 0.395 nan 8.380 nan 0.000 0.490 488 M N 3.413 123.038 119.600 0.042 0.000 2.213 488 M HA -0.151 4.330 4.480 0.001 0.000 0.263 488 M C 1.523 177.832 176.300 0.015 0.000 1.062 488 M CA 1.016 56.325 55.300 0.015 0.000 1.105 488 M CB -0.477 32.132 32.600 0.016 0.000 1.385 488 M HN 0.534 nan 8.290 nan 0.000 0.417 489 I N 0.477 121.063 120.570 0.025 0.000 2.286 489 I HA -0.217 3.953 4.170 0.001 0.000 0.245 489 I C 1.836 177.962 176.117 0.015 0.000 1.104 489 I CA 1.250 62.562 61.300 0.019 0.000 1.397 489 I CB -1.429 36.585 38.000 0.023 0.000 1.072 489 I HN 0.224 nan 8.210 nan 0.000 0.417 490 D N 0.851 121.264 120.400 0.020 0.000 2.144 490 D HA -0.145 4.496 4.640 0.001 0.000 0.199 490 D C 2.212 178.516 176.300 0.007 0.000 0.984 490 D CA 1.152 55.162 54.000 0.016 0.000 0.834 490 D CB -0.125 40.689 40.800 0.025 0.000 0.955 490 D HN 0.327 nan 8.370 nan 0.000 0.465 491 M N -0.669 118.932 119.600 0.002 0.000 2.659 491 M HA 0.124 4.605 4.480 0.001 0.000 0.243 491 M C 1.133 177.423 176.300 -0.016 0.000 1.111 491 M CA 0.651 55.943 55.300 -0.014 0.000 1.070 491 M CB 0.247 32.830 32.600 -0.029 0.000 1.525 491 M HN 0.055 nan 8.290 nan 0.000 0.517 492 G N 2.204 110.999 108.800 -0.007 0.000 2.160 492 G HA2 -0.245 3.715 3.960 0.001 0.000 0.251 492 G HA3 -0.245 3.715 3.960 0.001 0.000 0.251 492 G C 0.101 174.996 174.900 -0.009 0.000 1.008 492 G CA -0.174 44.922 45.100 -0.006 0.000 0.724 492 G HN 0.569 nan 8.290 nan 0.000 0.514 493 I N 1.361 121.924 120.570 -0.012 0.000 2.206 493 I HA 0.321 4.492 4.170 0.001 0.000 0.292 493 I C 0.535 176.652 176.117 -0.001 0.000 1.156 493 I CA -0.191 61.102 61.300 -0.012 0.000 1.356 493 I CB 0.033 38.018 38.000 -0.025 0.000 1.494 493 I HN 0.013 nan 8.210 nan 0.000 0.601 494 L N 3.961 125.186 121.223 0.003 0.000 2.296 494 L HA 0.528 4.868 4.340 0.001 0.000 0.286 494 L C -0.554 176.323 176.870 0.012 0.000 1.023 494 L CA -0.834 54.011 54.840 0.010 0.000 0.812 494 L CB 1.355 43.420 42.059 0.010 0.000 1.223 494 L HN 0.292 nan 8.230 nan 0.000 0.421 495 D N 3.622 124.031 120.400 0.015 0.000 2.175 495 D HA 0.363 5.004 4.640 0.001 0.000 0.248 495 D C -2.446 173.866 176.300 0.020 0.000 1.047 495 D CA -1.556 52.455 54.000 0.019 0.000 0.883 495 D CB 1.597 42.409 40.800 0.020 0.000 1.180 495 D HN 0.216 nan 8.370 nan 0.000 0.438 496 P HA 0.141 nan 4.420 nan 0.000 0.281 496 P C 0.665 177.979 177.300 0.024 0.000 1.252 496 P CA -0.246 62.869 63.100 0.025 0.000 0.778 496 P CB 0.807 32.526 31.700 0.033 0.000 0.895 497 T N 2.595 117.160 114.554 0.020 0.000 2.635 497 T HA -0.230 4.120 4.350 0.001 0.000 0.267 497 T C 1.632 176.341 174.700 0.015 0.000 1.040 497 T CA 1.503 63.612 62.100 0.016 0.000 1.156 497 T CB -0.491 68.384 68.868 0.012 0.000 0.863 497 T HN 0.497 nan 8.240 nan 0.000 0.430 498 K N 0.707 121.119 120.400 0.019 0.000 2.189 498 K HA -0.192 4.128 4.320 0.001 0.000 0.207 498 K C 2.293 178.912 176.600 0.032 0.000 1.046 498 K CA 1.802 58.103 56.287 0.023 0.000 0.928 498 K CB -0.376 32.145 32.500 0.035 0.000 0.720 498 K HN 0.368 nan 8.250 nan 0.000 0.458 499 V N -0.870 119.066 119.914 0.037 0.000 2.446 499 V HA -0.119 4.002 4.120 0.001 0.000 0.244 499 V C 1.718 177.833 176.094 0.035 0.000 1.039 499 V CA 2.100 64.427 62.300 0.045 0.000 1.045 499 V CB -0.493 31.358 31.823 0.046 0.000 0.681 499 V HN 0.331 nan 8.190 nan 0.000 0.459 500 T N 0.982 115.551 114.554 0.025 0.000 2.699 500 T HA -0.201 4.150 4.350 0.001 0.000 0.268 500 T C 2.072 176.776 174.700 0.006 0.000 1.036 500 T CA 2.166 64.277 62.100 0.018 0.000 1.147 500 T CB -0.454 68.423 68.868 0.015 0.000 0.862 500 T HN 0.519 nan 8.240 nan 0.000 0.446 501 R N 0.921 121.418 120.500 -0.005 0.000 2.073 501 R HA 0.018 4.359 4.340 0.001 0.000 0.229 501 R C 2.460 178.717 176.300 -0.072 0.000 1.120 501 R CA 1.453 57.533 56.100 -0.034 0.000 0.967 501 R CB -0.618 29.662 30.300 -0.034 0.000 0.862 501 R HN 0.290 nan 8.270 nan 0.000 0.436 502 S N 0.913 116.583 115.700 -0.051 0.000 2.355 502 S HA -0.062 4.409 4.470 0.001 0.000 0.222 502 S C 2.073 176.674 174.600 0.002 0.000 1.031 502 S CA 1.125 59.267 58.200 -0.097 0.000 0.993 502 S CB -0.283 62.980 63.200 0.104 0.000 0.859 502 S HN 0.544 nan 8.310 nan 0.000 0.453 503 A N 1.897 124.764 122.820 0.078 0.000 1.884 503 A HA -0.149 4.172 4.320 0.001 0.000 0.219 503 A C 2.118 179.730 177.584 0.047 0.000 1.197 503 A CA 1.519 53.610 52.037 0.089 0.000 0.637 503 A CB -0.969 18.067 19.000 0.060 0.000 0.827 503 A HN 0.462 nan 8.150 nan 0.000 0.450 504 L N -0.881 120.343 121.223 0.002 0.000 1.994 504 L HA -0.269 4.072 4.340 0.001 0.000 0.208 504 L C 2.853 179.696 176.870 -0.044 0.000 1.071 504 L CA 2.332 57.163 54.840 -0.014 0.000 0.745 504 L CB -0.740 41.304 42.059 -0.024 0.000 0.892 504 L HN 0.565 nan 8.230 nan 0.000 0.431 505 Q N -1.098 118.624 119.800 -0.130 0.000 2.014 505 Q HA -0.269 4.071 4.340 0.001 0.000 0.207 505 Q C 2.060 177.960 176.000 -0.166 0.000 0.993 505 Q CA 2.330 58.003 55.803 -0.217 0.000 0.850 505 Q CB -0.300 28.197 28.738 -0.402 0.000 0.916 505 Q HN 0.486 nan 8.270 nan 0.000 0.417 506 Y N -0.282 120.022 120.300 0.006 0.000 2.242 506 Y HA -0.139 4.412 4.550 0.001 0.000 0.291 506 Y C 2.294 178.197 175.900 0.005 0.000 1.137 506 Y CA 0.876 58.979 58.100 0.005 0.000 1.181 506 Y CB -0.785 37.677 38.460 0.003 0.000 0.989 506 Y HN 0.154 nan 8.280 nan 0.000 0.527 507 A N 0.051 122.961 122.820 0.151 0.000 1.873 507 A HA -0.082 4.238 4.320 0.001 0.000 0.215 507 A C 2.480 180.101 177.584 0.062 0.000 1.186 507 A CA 1.852 53.943 52.037 0.091 0.000 0.616 507 A CB -1.228 17.811 19.000 0.064 0.000 0.823 507 A HN 0.372 nan 8.150 nan 0.000 0.442 508 A N -0.861 121.983 122.820 0.040 0.000 1.902 508 A HA -0.100 4.220 4.320 0.001 0.000 0.217 508 A C 2.467 180.070 177.584 0.032 0.000 1.181 508 A CA 2.129 54.180 52.037 0.025 0.000 0.623 508 A CB -1.003 18.000 19.000 0.005 0.000 0.818 508 A HN 0.557 nan 8.150 nan 0.000 0.443 509 S N -0.803 114.923 115.700 0.044 0.000 2.370 509 S HA -0.164 4.306 4.470 0.001 0.000 0.226 509 S C 2.017 176.651 174.600 0.057 0.000 1.033 509 S CA 2.131 60.363 58.200 0.053 0.000 1.011 509 S CB -0.609 62.644 63.200 0.088 0.000 0.852 509 S HN 0.963 nan 8.310 nan 0.000 0.457 510 V N 0.838 120.791 119.914 0.066 0.000 2.374 510 V HA 0.248 4.368 4.120 0.001 0.000 0.241 510 V C 2.446 178.562 176.094 0.037 0.000 1.034 510 V CA 1.571 63.900 62.300 0.049 0.000 1.037 510 V CB -1.371 30.480 31.823 0.046 0.000 0.682 510 V HN 0.478 nan 8.190 nan 0.000 0.463 511 A N 1.119 123.961 122.820 0.037 0.000 1.896 511 A HA -0.179 4.142 4.320 0.001 0.000 0.220 511 A C 2.493 180.092 177.584 0.025 0.000 1.206 511 A CA 2.957 55.011 52.037 0.029 0.000 0.647 511 A CB -1.907 17.109 19.000 0.027 0.000 0.828 511 A HN 0.995 nan 8.150 nan 0.000 0.455 512 G N -0.378 108.437 108.800 0.025 0.000 2.681 512 G HA2 -0.331 3.630 3.960 0.001 0.000 0.220 512 G HA3 -0.331 3.630 3.960 0.001 0.000 0.220 512 G C 1.584 176.497 174.900 0.022 0.000 1.210 512 G CA 1.376 46.488 45.100 0.021 0.000 0.783 512 G HN 0.481 nan 8.290 nan 0.000 0.609 513 L N -0.285 120.952 121.223 0.024 0.000 2.046 513 L HA -0.061 4.280 4.340 0.001 0.000 0.208 513 L C 3.194 180.078 176.870 0.023 0.000 1.077 513 L CA 1.175 56.029 54.840 0.023 0.000 0.747 513 L CB -0.254 41.820 42.059 0.024 0.000 0.896 513 L HN 0.268 nan 8.230 nan 0.000 0.432 514 M N -0.268 119.347 119.600 0.024 0.000 2.202 514 M HA -0.211 4.270 4.480 0.001 0.000 0.262 514 M C 2.159 178.473 176.300 0.023 0.000 1.063 514 M CA 1.719 57.033 55.300 0.024 0.000 1.097 514 M CB -0.387 32.227 32.600 0.024 0.000 1.382 514 M HN 0.374 nan 8.290 nan 0.000 0.413 515 I N -2.180 118.402 120.570 0.021 0.000 3.564 515 I HA -0.027 4.144 4.170 0.001 0.000 0.294 515 I C 1.543 177.673 176.117 0.021 0.000 1.289 515 I CA 1.038 62.350 61.300 0.020 0.000 1.325 515 I CB -0.571 37.440 38.000 0.017 0.000 1.039 515 I HN 0.146 nan 8.210 nan 0.000 0.474 516 T N -2.274 112.293 114.554 0.022 0.000 3.145 516 T HA 0.194 4.544 4.350 0.001 0.000 0.255 516 T C 0.651 175.367 174.700 0.028 0.000 1.039 516 T CA -0.267 61.847 62.100 0.024 0.000 0.928 516 T CB -0.823 68.059 68.868 0.022 0.000 1.029 516 T HN 0.224 nan 8.240 nan 0.000 0.554 517 T N 2.661 117.232 114.554 0.028 0.000 2.888 517 T HA 0.238 4.588 4.350 0.001 0.000 0.301 517 T C 0.754 175.477 174.700 0.038 0.000 1.001 517 T CA -0.039 62.080 62.100 0.031 0.000 1.147 517 T CB 1.354 70.239 68.868 0.028 0.000 0.931 517 T HN 0.379 nan 8.240 nan 0.000 0.541 518 E N 0.767 120.997 120.200 0.050 0.000 2.500 518 E HA 0.206 4.556 4.350 0.001 0.000 0.217 518 E C -0.074 176.590 176.600 0.107 0.000 0.848 518 E CA -0.123 56.327 56.400 0.083 0.000 1.217 518 E CB 0.606 30.364 29.700 0.097 0.000 1.217 518 E HN 0.637 nan 8.360 nan 0.000 0.573 519 C N 0.329 119.650 119.300 0.034 0.000 2.994 519 C HA 0.785 5.246 4.460 0.001 0.000 0.305 519 C C -1.585 173.347 174.990 -0.096 0.000 1.251 519 C CA -0.645 58.306 59.018 -0.113 0.000 1.478 519 C CB 0.677 28.336 27.740 -0.135 0.000 1.922 519 C HN 0.325 nan 8.230 nan 0.000 0.472 520 M N 4.587 124.111 119.600 -0.127 0.000 2.324 520 M HA 0.539 5.020 4.480 0.001 0.000 0.288 520 M C -1.302 175.051 176.300 0.088 0.000 1.097 520 M CA -0.444 54.882 55.300 0.043 0.000 0.928 520 M CB 2.168 34.892 32.600 0.206 0.000 1.648 520 M HN 0.436 nan 8.290 nan 0.000 0.460 521 V N 1.656 121.580 119.914 0.017 0.000 2.540 521 V HA 0.849 4.969 4.120 0.001 0.000 0.302 521 V C -0.270 175.761 176.094 -0.104 0.000 1.035 521 V CA -0.315 61.968 62.300 -0.027 0.000 0.873 521 V CB 2.025 33.822 31.823 -0.044 0.000 0.992 521 V HN 0.954 nan 8.190 nan 0.000 0.428 522 T N 2.169 116.617 114.554 -0.177 0.000 2.693 522 T HA 0.359 4.709 4.350 0.001 0.000 0.304 522 T C -1.671 172.904 174.700 -0.209 0.000 1.471 522 T CA -0.532 61.408 62.100 -0.267 0.000 0.993 522 T CB 1.905 70.456 68.868 -0.528 0.000 1.554 522 T HN 0.603 nan 8.240 nan 0.000 0.496 523 D N 1.296 121.582 120.400 -0.189 0.000 2.339 523 D HA 0.410 5.051 4.640 0.001 0.000 0.245 523 D C 0.188 176.421 176.300 -0.111 0.000 1.115 523 D CA -0.069 53.859 54.000 -0.120 0.000 0.917 523 D CB 0.479 41.223 40.800 -0.094 0.000 1.192 523 D HN 0.411 nan 8.370 nan 0.000 0.428 524 L N 2.903 124.093 121.223 -0.054 0.000 2.461 524 L HA 0.185 4.526 4.340 0.001 0.000 0.272 524 L C -1.415 175.438 176.870 -0.029 0.000 1.197 524 L CA -1.365 53.461 54.840 -0.024 0.000 0.836 524 L CB 0.155 42.212 42.059 -0.003 0.000 1.105 524 L HN 0.336 nan 8.230 nan 0.000 0.477 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.095 63.100 -0.009 0.000 0.800 525 P CB 0.000 31.707 31.700 0.012 0.000 0.726