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 1sx4_1_C 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 0.000 177.572 177.584 -0.019 0.000 1.274 2 A CA 0.000 52.026 52.037 -0.019 0.000 0.836 2 A CB 0.000 18.985 19.000 -0.026 0.000 0.831 3 A N 2.105 124.917 122.820 -0.015 0.000 2.531 3 A HA 0.518 4.838 4.320 -0.000 0.000 0.236 3 A C 0.255 177.826 177.584 -0.021 0.000 1.062 3 A CA 0.415 52.445 52.037 -0.012 0.000 0.760 3 A CB -0.032 18.965 19.000 -0.006 0.000 0.995 3 A HN 0.628 nan 8.150 nan 0.000 0.501 4 K N 1.354 121.742 120.400 -0.020 0.000 2.221 4 K HA 0.433 4.753 4.320 -0.000 0.000 0.243 4 K C -1.244 175.348 176.600 -0.014 0.000 0.968 4 K CA -0.706 55.561 56.287 -0.032 0.000 0.846 4 K CB 1.536 34.015 32.500 -0.035 0.000 1.141 4 K HN 0.677 nan 8.250 nan 0.000 0.434 5 D N 1.738 122.126 120.400 -0.020 0.000 2.414 5 D HA 0.209 4.849 4.640 -0.000 0.000 0.232 5 D C -0.998 175.372 176.300 0.117 0.000 1.070 5 D CA -0.557 53.478 54.000 0.058 0.000 0.839 5 D CB 0.991 41.835 40.800 0.073 0.000 1.079 5 D HN 0.273 nan 8.370 nan 0.000 0.521 6 V N 1.442 121.393 119.914 0.062 0.000 2.427 6 V HA 0.636 4.756 4.120 -0.000 0.000 0.286 6 V C -0.305 175.713 176.094 -0.127 0.000 1.034 6 V CA -0.516 61.752 62.300 -0.054 0.000 0.893 6 V CB 1.394 33.080 31.823 -0.228 0.000 0.982 6 V HN 0.323 nan 8.190 nan 0.000 0.452 7 K N 4.185 124.467 120.400 -0.196 0.000 2.324 7 K HA 0.707 5.027 4.320 -0.000 0.000 0.253 7 K C -1.464 174.943 176.600 -0.321 0.000 0.932 7 K CA -0.452 55.641 56.287 -0.323 0.000 0.799 7 K CB 2.094 34.213 32.500 -0.635 0.000 1.154 7 K HN 0.739 nan 8.250 nan 0.000 0.425 8 F N -0.140 119.763 119.950 -0.077 0.000 2.631 8 F HA 0.355 4.882 4.527 -0.000 0.000 0.350 8 F C 1.654 177.421 175.800 -0.055 0.000 1.080 8 F CA -0.267 57.706 58.000 -0.044 0.000 1.026 8 F CB 0.985 39.970 39.000 -0.024 0.000 1.347 8 F HN 0.765 nan 8.300 nan 0.000 0.501 9 G N 1.157 110.087 108.800 0.216 0.000 3.725 9 G HA2 -0.521 3.439 3.960 -0.000 0.000 0.331 9 G HA3 -0.521 3.439 3.960 -0.000 0.000 0.331 9 G C 1.155 176.076 174.900 0.034 0.000 0.871 9 G CA 1.845 46.999 45.100 0.089 0.000 0.725 9 G HN 0.860 nan 8.290 nan 0.000 1.346 10 N N -0.017 118.694 118.700 0.017 0.000 2.106 10 N HA -0.095 4.645 4.740 -0.000 0.000 0.188 10 N C 1.842 177.339 175.510 -0.022 0.000 1.029 10 N CA 1.908 54.958 53.050 -0.001 0.000 0.848 10 N CB -0.316 38.169 38.487 -0.003 0.000 1.007 10 N HN 0.463 nan 8.380 nan 0.000 0.423 11 D N -0.040 120.342 120.400 -0.029 0.000 2.472 11 D HA -0.291 4.349 4.640 -0.000 0.000 0.194 11 D C 1.791 178.014 176.300 -0.129 0.000 1.023 11 D CA 2.341 56.297 54.000 -0.072 0.000 0.869 11 D CB -0.783 39.979 40.800 -0.063 0.000 0.997 11 D HN 0.506 nan 8.370 nan 0.000 0.463 12 A N 0.042 122.782 122.820 -0.133 0.000 1.933 12 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 12 A C 2.184 179.707 177.584 -0.101 0.000 1.175 12 A CA 1.666 53.582 52.037 -0.202 0.000 0.628 12 A CB -0.388 18.519 19.000 -0.155 0.000 0.814 12 A HN 0.196 nan 8.150 nan 0.000 0.444 13 R N -0.658 119.815 120.500 -0.044 0.000 2.082 13 R HA -0.117 4.223 4.340 -0.000 0.000 0.234 13 R C 2.080 178.369 176.300 -0.018 0.000 1.136 13 R CA 1.570 57.661 56.100 -0.016 0.000 0.935 13 R CB -0.946 29.353 30.300 -0.002 0.000 0.842 13 R HN 0.360 nan 8.270 nan 0.000 0.430 14 V N 2.259 122.156 119.914 -0.029 0.000 2.250 14 V HA -0.342 3.778 4.120 -0.000 0.000 0.250 14 V C 2.376 178.458 176.094 -0.020 0.000 1.060 14 V CA 1.941 64.227 62.300 -0.023 0.000 1.030 14 V CB -0.464 31.341 31.823 -0.029 0.000 0.643 14 V HN 0.337 nan 8.190 nan 0.000 0.445 15 K N -0.598 119.776 120.400 -0.044 0.000 2.032 15 K HA -0.196 4.124 4.320 -0.000 0.000 0.209 15 K C 2.125 178.743 176.600 0.030 0.000 1.048 15 K CA 1.910 58.190 56.287 -0.011 0.000 0.927 15 K CB -0.713 31.763 32.500 -0.040 0.000 0.712 15 K HN 0.475 nan 8.250 nan 0.000 0.441 16 M N 0.904 120.520 119.600 0.026 0.000 2.144 16 M HA -0.208 4.272 4.480 -0.000 0.000 0.260 16 M C 2.101 178.420 176.300 0.031 0.000 1.067 16 M CA 1.439 56.766 55.300 0.045 0.000 1.095 16 M CB -0.053 32.569 32.600 0.036 0.000 1.365 16 M HN 0.135 nan 8.290 nan 0.000 0.406 17 L N 0.202 121.436 121.223 0.019 0.000 2.068 17 L HA -0.061 4.279 4.340 -0.000 0.000 0.204 17 L C 2.168 179.047 176.870 0.016 0.000 1.076 17 L CA 1.586 56.435 54.840 0.016 0.000 0.753 17 L CB -0.610 41.455 42.059 0.010 0.000 0.910 17 L HN 0.194 nan 8.230 nan 0.000 0.439 18 R N 0.061 120.570 120.500 0.016 0.000 2.153 18 R HA -0.183 4.157 4.340 -0.000 0.000 0.252 18 R C 2.169 178.482 176.300 0.021 0.000 1.158 18 R CA 1.337 57.447 56.100 0.017 0.000 0.975 18 R CB -1.268 29.043 30.300 0.018 0.000 0.871 18 R HN 0.615 nan 8.270 nan 0.000 0.450 19 G N 0.703 109.521 108.800 0.028 0.000 2.434 19 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.214 19 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.214 19 G C 1.496 176.408 174.900 0.021 0.000 1.202 19 G CA 0.874 45.992 45.100 0.030 0.000 0.788 19 G HN 0.147 nan 8.290 nan 0.000 0.539 20 V N 1.561 121.487 119.914 0.021 0.000 2.324 20 V HA -0.285 3.835 4.120 -0.000 0.000 0.250 20 V C 2.513 178.615 176.094 0.014 0.000 1.060 20 V CA 2.281 64.592 62.300 0.017 0.000 1.042 20 V CB -0.904 30.930 31.823 0.018 0.000 0.650 20 V HN 0.425 nan 8.190 nan 0.000 0.450 21 N N -0.191 118.517 118.700 0.013 0.000 2.142 21 N HA -0.133 4.607 4.740 -0.000 0.000 0.186 21 N C 1.740 177.255 175.510 0.009 0.000 1.023 21 N CA 1.319 54.376 53.050 0.011 0.000 0.852 21 N CB -0.237 38.256 38.487 0.010 0.000 0.998 21 N HN 0.297 nan 8.380 nan 0.000 0.424 22 V N 1.563 121.482 119.914 0.009 0.000 2.295 22 V HA -0.172 3.948 4.120 -0.000 0.000 0.246 22 V C 2.195 178.292 176.094 0.005 0.000 1.049 22 V CA 1.133 63.437 62.300 0.007 0.000 1.024 22 V CB -0.597 31.230 31.823 0.008 0.000 0.648 22 V HN 0.372 nan 8.190 nan 0.000 0.447 23 L N 1.342 122.568 121.223 0.006 0.000 1.970 23 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 23 L C 2.532 179.405 176.870 0.005 0.000 1.071 23 L CA 2.942 57.785 54.840 0.004 0.000 0.751 23 L CB -1.745 40.317 42.059 0.005 0.000 0.889 23 L HN 0.283 nan 8.230 nan 0.000 0.432 24 A N -0.088 122.736 122.820 0.007 0.000 1.892 24 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 24 A C 1.882 179.469 177.584 0.006 0.000 1.188 24 A CA 2.046 54.087 52.037 0.008 0.000 0.631 24 A CB -0.956 18.050 19.000 0.010 0.000 0.822 24 A HN 0.612 nan 8.150 nan 0.000 0.447 25 D N 0.136 120.539 120.400 0.005 0.000 2.149 25 D HA -0.056 4.584 4.640 -0.000 0.000 0.198 25 D C 2.062 178.363 176.300 0.001 0.000 0.990 25 D CA 1.539 55.541 54.000 0.004 0.000 0.839 25 D CB -0.497 40.305 40.800 0.003 0.000 0.948 25 D HN 0.478 nan 8.370 nan 0.000 0.460 26 A N 0.268 123.088 122.820 0.000 0.000 2.067 26 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 26 A C 2.347 179.930 177.584 -0.002 0.000 1.158 26 A CA 0.786 52.822 52.037 -0.003 0.000 0.661 26 A CB -0.237 18.760 19.000 -0.005 0.000 0.801 26 A HN 0.166 nan 8.150 nan 0.000 0.452 27 V N -0.200 119.714 119.914 0.000 0.000 2.500 27 V HA -0.135 3.985 4.120 -0.000 0.000 0.243 27 V C 2.234 178.330 176.094 0.002 0.000 1.039 27 V CA 1.583 63.883 62.300 0.001 0.000 1.053 27 V CB -0.504 31.320 31.823 0.002 0.000 0.695 27 V HN 0.461 nan 8.190 nan 0.000 0.463 28 K N 0.871 121.273 120.400 0.004 0.000 2.089 28 K HA -0.216 4.104 4.320 -0.000 0.000 0.210 28 K C 2.073 178.675 176.600 0.004 0.000 1.048 28 K CA 1.978 58.268 56.287 0.006 0.000 0.926 28 K CB -0.718 31.786 32.500 0.006 0.000 0.714 28 K HN 0.577 nan 8.250 nan 0.000 0.448 29 V N -0.220 119.695 119.914 0.002 0.000 2.828 29 V HA -0.175 3.945 4.120 -0.000 0.000 0.260 29 V C 1.945 178.040 176.094 0.001 0.000 1.101 29 V CA 2.120 64.421 62.300 0.001 0.000 1.123 29 V CB -1.482 30.340 31.823 -0.001 0.000 0.704 29 V HN 0.379 nan 8.190 nan 0.000 0.493 30 T N -2.046 112.509 114.554 0.001 0.000 3.278 30 T HA 0.407 4.757 4.350 -0.000 0.000 0.251 30 T C 0.076 174.778 174.700 0.003 0.000 1.039 30 T CA -0.263 61.838 62.100 0.001 0.000 0.935 30 T CB -0.158 68.710 68.868 -0.000 0.000 1.034 30 T HN 0.376 nan 8.240 nan 0.000 0.575 31 L N 1.993 123.219 121.223 0.006 0.000 2.307 31 L HA 0.726 5.066 4.340 -0.000 0.000 0.282 31 L C 0.598 177.473 176.870 0.008 0.000 1.051 31 L CA 1.086 55.931 54.840 0.008 0.000 0.804 31 L CB 0.404 42.470 42.059 0.011 0.000 1.197 31 L HN 0.602 nan 8.230 nan 0.000 0.431 32 G N 4.750 113.554 108.800 0.007 0.000 2.855 32 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.352 32 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.352 32 G C -2.082 172.817 174.900 -0.002 0.000 1.415 32 G CA -0.256 44.846 45.100 0.004 0.000 0.871 32 G HN 0.624 nan 8.290 nan 0.000 0.543 33 P HA -0.071 nan 4.420 nan 0.000 0.216 33 P C 1.126 178.418 177.300 -0.012 0.000 1.153 33 P CA 1.626 64.717 63.100 -0.016 0.000 0.848 33 P CB -0.006 31.675 31.700 -0.031 0.000 0.787 34 K N 0.542 120.937 120.400 -0.008 0.000 2.630 34 K HA 0.166 4.486 4.320 -0.000 0.000 0.204 34 K C 1.225 177.825 176.600 0.001 0.000 1.024 34 K CA -0.291 55.994 56.287 -0.003 0.000 1.157 34 K CB -0.475 32.026 32.500 0.002 0.000 0.899 34 K HN 0.135 nan 8.250 nan 0.000 0.501 35 G N 1.072 109.872 108.800 -0.000 0.000 2.614 35 G HA2 0.077 4.037 3.960 -0.000 0.000 0.239 35 G HA3 0.077 4.037 3.960 -0.000 0.000 0.239 35 G C -0.107 174.793 174.900 -0.001 0.000 1.240 35 G CA -0.397 44.703 45.100 0.001 0.000 0.842 35 G HN 0.229 nan 8.290 nan 0.000 0.584 36 R N 0.012 120.511 120.500 -0.001 0.000 2.939 36 R HA 0.365 4.705 4.340 -0.000 0.000 0.254 36 R C -0.690 175.608 176.300 -0.004 0.000 1.123 36 R CA -1.034 55.065 56.100 -0.003 0.000 1.020 36 R CB 1.311 31.610 30.300 -0.002 0.000 1.206 36 R HN 0.476 nan 8.270 nan 0.000 0.491 37 N N -0.122 118.575 118.700 -0.005 0.000 2.443 37 N HA 0.414 5.154 4.740 -0.000 0.000 0.293 37 N C -0.891 174.613 175.510 -0.009 0.000 1.159 37 N CA -0.460 52.586 53.050 -0.006 0.000 0.904 37 N CB 2.046 40.529 38.487 -0.007 0.000 1.214 37 N HN 0.126 nan 8.380 nan 0.000 0.513 38 V N 0.806 120.714 119.914 -0.011 0.000 2.769 38 V HA 0.487 4.607 4.120 -0.000 0.000 0.312 38 V C -0.098 175.984 176.094 -0.019 0.000 1.058 38 V CA -0.794 61.498 62.300 -0.014 0.000 0.952 38 V CB 2.217 34.031 31.823 -0.014 0.000 1.019 38 V HN 0.286 nan 8.190 nan 0.000 0.445 39 V N 4.741 124.641 119.914 -0.024 0.000 2.448 39 V HA 0.522 4.642 4.120 -0.000 0.000 0.295 39 V C -0.477 175.592 176.094 -0.043 0.000 1.025 39 V CA -0.435 61.846 62.300 -0.032 0.000 0.859 39 V CB 1.486 33.290 31.823 -0.031 0.000 0.988 39 V HN 0.613 nan 8.190 nan 0.000 0.431 40 L N 3.682 124.872 121.223 -0.055 0.000 2.341 40 L HA 0.616 4.956 4.340 -0.000 0.000 0.278 40 L C -0.108 176.694 176.870 -0.114 0.000 1.005 40 L CA -0.539 54.256 54.840 -0.075 0.000 0.818 40 L CB 1.715 43.733 42.059 -0.069 0.000 1.259 40 L HN 0.495 nan 8.230 nan 0.000 0.418 41 D N 2.303 122.623 120.400 -0.133 0.000 2.433 41 D HA 0.401 5.041 4.640 -0.000 0.000 0.255 41 D C -0.781 175.339 176.300 -0.300 0.000 1.226 41 D CA -0.173 53.727 54.000 -0.166 0.000 1.015 41 D CB 1.075 41.799 40.800 -0.127 0.000 1.091 41 D HN 0.394 nan 8.370 nan 0.000 0.527 42 K N -0.346 119.824 120.400 -0.382 0.000 2.606 42 K HA 0.153 4.473 4.320 -0.000 0.000 0.259 42 K C 0.675 176.976 176.600 -0.499 0.000 1.001 42 K CA -0.296 55.511 56.287 -0.800 0.000 0.881 42 K CB 1.311 33.282 32.500 -0.883 0.000 1.288 42 K HN 0.301 nan 8.250 nan 0.000 0.452 43 S N 3.059 118.562 115.700 -0.329 0.000 2.370 43 S HA -0.170 4.300 4.470 -0.000 0.000 0.226 43 S C 1.587 176.331 174.600 0.240 0.000 1.033 43 S CA 0.956 59.199 58.200 0.072 0.000 1.011 43 S CB -0.608 62.709 63.200 0.196 0.000 0.852 43 S HN 0.507 nan 8.310 nan 0.000 0.457 44 F N 2.764 122.712 119.950 -0.004 0.000 2.587 44 F HA 0.006 4.533 4.527 -0.000 0.000 0.311 44 F C 1.905 177.704 175.800 -0.003 0.000 1.384 44 F CA 0.531 58.529 58.000 -0.004 0.000 1.301 44 F CB -1.842 37.156 39.000 -0.003 0.000 0.851 44 F HN 0.494 nan 8.300 nan 0.000 0.631 45 G N -1.870 107.047 108.800 0.194 0.000 3.214 45 G HA2 0.611 4.571 3.960 -0.000 0.000 0.188 45 G HA3 0.611 4.571 3.960 -0.000 0.000 0.188 45 G C -1.003 173.910 174.900 0.021 0.000 1.126 45 G CA -0.217 44.936 45.100 0.087 0.000 0.796 45 G HN 0.628 nan 8.290 nan 0.000 0.631 46 A N 0.611 123.440 122.820 0.015 0.000 2.555 46 A HA 0.531 4.851 4.320 -0.000 0.000 0.233 46 A C -1.768 175.792 177.584 -0.040 0.000 1.060 46 A CA -0.182 51.848 52.037 -0.011 0.000 0.759 46 A CB -0.680 18.320 19.000 -0.001 0.000 0.995 46 A HN 0.364 nan 8.150 nan 0.000 0.506 47 P HA 0.178 nan 4.420 nan 0.000 0.273 47 P C -0.085 177.184 177.300 -0.053 0.000 1.258 47 P CA 0.172 63.225 63.100 -0.079 0.000 0.802 47 P CB 0.378 32.039 31.700 -0.065 0.000 1.040 48 T N 0.841 115.361 114.554 -0.057 0.000 2.840 48 T HA 0.532 4.882 4.350 -0.000 0.000 0.287 48 T C -0.271 174.412 174.700 -0.029 0.000 0.991 48 T CA -0.345 61.735 62.100 -0.034 0.000 0.964 48 T CB 0.006 68.851 68.868 -0.040 0.000 0.954 48 T HN 0.116 nan 8.240 nan 0.000 0.438 49 I N 3.153 123.712 120.570 -0.017 0.000 2.315 49 I HA 0.520 4.690 4.170 -0.000 0.000 0.291 49 I C 0.549 176.660 176.117 -0.009 0.000 1.006 49 I CA -0.318 60.973 61.300 -0.015 0.000 1.265 49 I CB 1.625 39.619 38.000 -0.011 0.000 1.387 49 I HN 0.432 nan 8.210 nan 0.000 0.475 50 T N 4.407 118.955 114.554 -0.010 0.000 2.883 50 T HA 0.311 4.661 4.350 -0.000 0.000 0.301 50 T C 0.024 174.721 174.700 -0.006 0.000 1.158 50 T CA -0.620 61.477 62.100 -0.006 0.000 1.007 50 T CB 1.797 70.661 68.868 -0.005 0.000 1.186 50 T HN 0.681 nan 8.240 nan 0.000 0.499 51 K N 1.260 121.658 120.400 -0.003 0.000 2.399 51 K HA 0.214 4.534 4.320 -0.000 0.000 0.204 51 K C -0.547 176.052 176.600 -0.002 0.000 1.023 51 K CA -0.093 56.193 56.287 -0.002 0.000 1.127 51 K CB 0.322 32.822 32.500 -0.001 0.000 0.856 51 K HN 0.494 nan 8.250 nan 0.000 0.514 52 D N -0.755 119.643 120.400 -0.004 0.000 2.427 52 D HA 0.178 4.818 4.640 -0.000 0.000 0.226 52 D C 1.149 177.444 176.300 -0.008 0.000 1.076 52 D CA -0.291 53.705 54.000 -0.005 0.000 0.849 52 D CB 1.331 42.128 40.800 -0.005 0.000 1.052 52 D HN 0.150 nan 8.370 nan 0.000 0.515 53 G N 2.506 111.302 108.800 -0.007 0.000 2.556 53 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.220 53 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.220 53 G C 1.485 176.379 174.900 -0.010 0.000 1.156 53 G CA 1.036 46.132 45.100 -0.006 0.000 0.766 53 G HN 0.519 nan 8.290 nan 0.000 0.583 54 V N 0.234 120.138 119.914 -0.015 0.000 2.626 54 V HA -0.078 4.042 4.120 -0.000 0.000 0.252 54 V C 2.815 178.900 176.094 -0.014 0.000 1.067 54 V CA 2.622 64.911 62.300 -0.019 0.000 1.081 54 V CB -0.243 31.561 31.823 -0.031 0.000 0.686 54 V HN 0.329 nan 8.190 nan 0.000 0.468 55 S N -0.322 115.371 115.700 -0.011 0.000 2.355 55 S HA -0.130 4.340 4.470 -0.000 0.000 0.222 55 S C 1.858 176.453 174.600 -0.008 0.000 1.031 55 S CA 1.593 59.789 58.200 -0.006 0.000 0.993 55 S CB -0.075 63.123 63.200 -0.004 0.000 0.859 55 S HN 0.505 nan 8.310 nan 0.000 0.453 56 V N 2.074 121.982 119.914 -0.010 0.000 2.295 56 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 56 V C 2.619 178.707 176.094 -0.010 0.000 1.049 56 V CA 1.767 64.060 62.300 -0.011 0.000 1.024 56 V CB -1.222 30.595 31.823 -0.010 0.000 0.648 56 V HN 0.524 nan 8.190 nan 0.000 0.447 57 A N 0.530 123.345 122.820 -0.008 0.000 1.851 57 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 57 A C 2.250 179.830 177.584 -0.007 0.000 1.195 57 A CA 1.834 53.867 52.037 -0.007 0.000 0.622 57 A CB -0.617 18.378 19.000 -0.007 0.000 0.831 57 A HN 0.479 nan 8.150 nan 0.000 0.444 58 R N -0.067 120.430 120.500 -0.007 0.000 2.267 58 R HA -0.179 4.160 4.340 -0.000 0.000 0.259 58 R C 1.240 177.540 176.300 0.000 0.000 1.192 58 R CA 1.417 57.516 56.100 -0.002 0.000 1.013 58 R CB -0.632 29.670 30.300 0.003 0.000 0.877 58 R HN 0.569 nan 8.270 nan 0.000 0.474 59 E N 0.340 120.537 120.200 -0.005 0.000 2.385 59 E HA 0.074 4.424 4.350 -0.000 0.000 0.194 59 E C 0.710 177.304 176.600 -0.009 0.000 1.013 59 E CA 0.128 56.522 56.400 -0.009 0.000 0.866 59 E CB 0.175 29.862 29.700 -0.023 0.000 0.832 59 E HN 0.161 nan 8.360 nan 0.000 0.500 60 I N 1.900 122.465 120.570 -0.007 0.000 2.441 60 I HA 0.165 4.335 4.170 -0.000 0.000 0.287 60 I C 0.430 176.545 176.117 -0.005 0.000 1.049 60 I CA 0.082 61.379 61.300 -0.007 0.000 1.381 60 I CB 0.493 38.491 38.000 -0.004 0.000 1.409 60 I HN -0.039 nan 8.210 nan 0.000 0.523 61 E N 5.860 126.057 120.200 -0.005 0.000 2.335 61 E HA 0.497 4.847 4.350 -0.000 0.000 0.280 61 E C -2.026 174.571 176.600 -0.004 0.000 0.918 61 E CA -0.636 55.761 56.400 -0.005 0.000 0.765 61 E CB 2.113 31.810 29.700 -0.006 0.000 1.218 61 E HN 0.243 nan 8.360 nan 0.000 0.425 62 L N 2.911 124.132 121.223 -0.003 0.000 2.286 62 L HA 0.356 4.696 4.340 -0.000 0.000 0.265 62 L C 1.249 178.117 176.870 -0.002 0.000 1.012 62 L CA -0.120 54.721 54.840 0.001 0.000 0.818 62 L CB 1.429 43.494 42.059 0.010 0.000 1.337 62 L HN 0.876 nan 8.230 nan 0.000 0.438 63 E N -0.290 119.912 120.200 0.003 0.000 2.102 63 E HA -0.083 4.267 4.350 -0.000 0.000 0.190 63 E C 0.179 176.779 176.600 0.001 0.000 0.971 63 E CA 0.195 56.594 56.400 -0.001 0.000 0.821 63 E CB 0.125 29.826 29.700 0.002 0.000 0.777 63 E HN 0.620 nan 8.360 nan 0.000 0.460 64 D N 1.162 121.575 120.400 0.020 0.000 2.426 64 D HA -0.068 4.572 4.640 -0.000 0.000 0.261 64 D C 0.546 176.857 176.300 0.018 0.000 1.245 64 D CA 0.034 54.062 54.000 0.046 0.000 0.917 64 D CB 0.773 41.623 40.800 0.083 0.000 1.123 64 D HN 0.096 nan 8.370 nan 0.000 0.508 65 K N 3.470 123.836 120.400 -0.055 0.000 2.211 65 K HA -0.166 4.154 4.320 -0.000 0.000 0.204 65 K C 1.653 178.133 176.600 -0.200 0.000 1.047 65 K CA 1.006 57.186 56.287 -0.179 0.000 0.935 65 K CB -0.172 32.130 32.500 -0.329 0.000 0.728 65 K HN 0.500 nan 8.250 nan 0.000 0.452 66 F N 1.283 121.223 119.950 -0.017 0.000 2.219 66 F HA 0.014 4.541 4.527 -0.000 0.000 0.294 66 F C 2.326 178.119 175.800 -0.013 0.000 1.086 66 F CA 0.711 58.700 58.000 -0.018 0.000 1.330 66 F CB -0.250 38.739 39.000 -0.019 0.000 1.047 66 F HN 0.065 nan 8.300 nan 0.000 0.495 67 E N 0.076 120.385 120.200 0.181 0.000 2.077 67 E HA -0.253 4.097 4.350 -0.000 0.000 0.193 67 E C 1.864 178.501 176.600 0.061 0.000 0.989 67 E CA 1.274 57.733 56.400 0.099 0.000 0.800 67 E CB -0.303 29.439 29.700 0.071 0.000 0.746 67 E HN 0.273 nan 8.360 nan 0.000 0.452 68 N N 0.673 119.397 118.700 0.038 0.000 2.061 68 N HA -0.206 4.534 4.740 -0.000 0.000 0.193 68 N C 1.759 177.274 175.510 0.008 0.000 1.030 68 N CA 1.533 54.589 53.050 0.009 0.000 0.856 68 N CB -0.051 38.426 38.487 -0.016 0.000 1.023 68 N HN 0.073 nan 8.380 nan 0.000 0.424 69 M N -0.439 119.167 119.600 0.010 0.000 2.082 69 M HA -0.128 4.352 4.480 -0.000 0.000 0.258 69 M C 2.166 178.484 176.300 0.030 0.000 1.069 69 M CA 1.856 57.165 55.300 0.015 0.000 1.102 69 M CB -0.841 31.777 32.600 0.030 0.000 1.336 69 M HN 0.376 nan 8.290 nan 0.000 0.404 70 G N -0.029 108.800 108.800 0.048 0.000 2.672 70 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.218 70 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.218 70 G C 1.531 176.446 174.900 0.025 0.000 1.238 70 G CA 1.446 46.570 45.100 0.039 0.000 0.791 70 G HN 0.589 nan 8.290 nan 0.000 0.606 71 A N -0.855 121.978 122.820 0.021 0.000 1.969 71 A HA -0.003 4.317 4.320 -0.000 0.000 0.218 71 A C 2.336 179.924 177.584 0.007 0.000 1.169 71 A CA 1.854 53.899 52.037 0.013 0.000 0.635 71 A CB -0.231 18.775 19.000 0.010 0.000 0.810 71 A HN 0.374 nan 8.150 nan 0.000 0.445 72 Q N -1.028 118.775 119.800 0.005 0.000 2.435 72 Q HA 0.099 4.439 4.340 -0.000 0.000 0.207 72 Q C 1.854 177.854 176.000 0.000 0.000 0.956 72 Q CA 0.708 56.511 55.803 -0.001 0.000 0.917 72 Q CB -0.078 28.656 28.738 -0.006 0.000 0.997 72 Q HN 0.776 nan 8.270 nan 0.000 0.497 73 M N -0.443 119.161 119.600 0.007 0.000 2.276 73 M HA -0.077 4.403 4.480 -0.000 0.000 0.262 73 M C 2.201 178.507 176.300 0.010 0.000 1.098 73 M CA 0.875 56.180 55.300 0.009 0.000 1.167 73 M CB -0.242 32.367 32.600 0.015 0.000 1.337 73 M HN -0.019 nan 8.290 nan 0.000 0.446 74 V N -0.360 119.562 119.914 0.013 0.000 2.568 74 V HA -0.249 3.871 4.120 -0.000 0.000 0.253 74 V C 2.108 178.206 176.094 0.008 0.000 1.072 74 V CA 1.807 64.116 62.300 0.015 0.000 1.084 74 V CB -1.397 30.435 31.823 0.016 0.000 0.676 74 V HN 0.497 nan 8.190 nan 0.000 0.469 75 K N 0.496 120.898 120.400 0.002 0.000 2.366 75 K HA -0.280 4.040 4.320 -0.000 0.000 0.202 75 K C 2.145 178.735 176.600 -0.016 0.000 1.045 75 K CA 1.947 58.231 56.287 -0.006 0.000 0.934 75 K CB -0.109 32.387 32.500 -0.007 0.000 0.746 75 K HN 0.716 nan 8.250 nan 0.000 0.470 76 E N 0.067 120.258 120.200 -0.015 0.000 2.371 76 E HA -0.097 4.253 4.350 -0.000 0.000 0.194 76 E C 1.788 178.357 176.600 -0.051 0.000 1.012 76 E CA 0.431 56.811 56.400 -0.035 0.000 0.860 76 E CB 0.283 29.966 29.700 -0.029 0.000 0.811 76 E HN 0.266 nan 8.360 nan 0.000 0.502 77 V N 0.242 120.149 119.914 -0.012 0.000 2.244 77 V HA -0.159 3.961 4.120 -0.000 0.000 0.244 77 V C 2.238 178.321 176.094 -0.019 0.000 1.042 77 V CA 2.063 64.371 62.300 0.015 0.000 1.006 77 V CB -0.678 31.183 31.823 0.064 0.000 0.641 77 V HN 0.264 nan 8.190 nan 0.000 0.446 78 A N -0.031 122.783 122.820 -0.009 0.000 1.948 78 A HA -0.252 4.068 4.320 -0.000 0.000 0.220 78 A C 2.641 180.194 177.584 -0.052 0.000 1.177 78 A CA 2.874 54.901 52.037 -0.017 0.000 0.636 78 A CB -1.264 17.729 19.000 -0.012 0.000 0.815 78 A HN 0.851 nan 8.150 nan 0.000 0.449 79 S N -1.243 114.416 115.700 -0.068 0.000 2.383 79 S HA -0.131 4.339 4.470 -0.000 0.000 0.227 79 S C 2.178 176.690 174.600 -0.146 0.000 1.026 79 S CA 1.536 59.684 58.200 -0.087 0.000 0.981 79 S CB -0.243 62.914 63.200 -0.071 0.000 0.818 79 S HN 0.452 nan 8.310 nan 0.000 0.472 80 K N 1.266 121.521 120.400 -0.242 0.000 2.007 80 K HA 0.160 4.480 4.320 -0.000 0.000 0.206 80 K C 2.418 178.729 176.600 -0.481 0.000 1.047 80 K CA 1.131 57.142 56.287 -0.460 0.000 0.937 80 K CB -1.153 30.878 32.500 -0.782 0.000 0.718 80 K HN 0.371 nan 8.250 nan 0.000 0.438 81 A N 2.303 124.912 122.820 -0.351 0.000 1.984 81 A HA -0.304 4.016 4.320 -0.000 0.000 0.224 81 A C 1.972 179.539 177.584 -0.027 0.000 1.256 81 A CA 2.557 54.591 52.037 -0.005 0.000 0.679 81 A CB -0.945 18.097 19.000 0.069 0.000 0.829 81 A HN 0.607 nan 8.150 nan 0.000 0.483 82 N N -1.695 116.956 118.700 -0.082 0.000 2.368 82 N HA -0.107 4.633 4.740 -0.000 0.000 0.176 82 N C 0.666 176.117 175.510 -0.098 0.000 1.021 82 N CA 1.011 54.008 53.050 -0.089 0.000 0.888 82 N CB -0.054 38.381 38.487 -0.087 0.000 0.995 82 N HN 0.387 nan 8.380 nan 0.000 0.437 83 D N 0.479 120.821 120.400 -0.095 0.000 2.277 83 D HA 0.046 4.686 4.640 -0.000 0.000 0.208 83 D C 1.523 177.808 176.300 -0.026 0.000 0.962 83 D CA 0.372 54.334 54.000 -0.063 0.000 0.865 83 D CB 0.196 40.949 40.800 -0.078 0.000 0.939 83 D HN 0.377 nan 8.370 nan 0.000 0.510 84 A N 0.130 122.938 122.820 -0.020 0.000 1.943 84 A HA 0.411 4.731 4.320 -0.000 0.000 0.213 84 A C 1.705 179.339 177.584 0.084 0.000 1.181 84 A CA 1.207 53.284 52.037 0.068 0.000 0.653 84 A CB 0.341 19.454 19.000 0.190 0.000 0.833 84 A HN 0.147 nan 8.150 nan 0.000 0.451 85 A N -1.968 120.885 122.820 0.055 0.000 2.596 85 A HA 0.481 4.801 4.320 -0.000 0.000 0.276 85 A C 1.240 178.811 177.584 -0.022 0.000 0.962 85 A CA 0.791 52.864 52.037 0.059 0.000 1.010 85 A CB -0.772 18.272 19.000 0.074 0.000 1.220 85 A HN 1.769 nan 8.150 nan 0.000 0.549 86 G N 0.224 108.928 108.800 -0.161 0.000 2.441 86 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.298 86 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.298 86 G C -0.168 174.615 174.900 -0.196 0.000 0.949 86 G CA 1.135 46.003 45.100 -0.387 0.000 1.072 86 G HN 0.780 nan 8.290 nan 0.000 0.512 87 D N -2.358 118.000 120.400 -0.069 0.000 2.912 87 D HA 0.478 5.118 4.640 -0.000 0.000 0.263 87 D C 0.776 177.080 176.300 0.007 0.000 1.152 87 D CA 0.960 54.949 54.000 -0.019 0.000 0.728 87 D CB 0.385 41.193 40.800 0.013 0.000 1.337 87 D HN 1.280 nan 8.370 nan 0.000 0.435 88 G N 0.659 109.466 108.800 0.013 0.000 2.176 88 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.232 88 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.232 88 G C 1.086 176.002 174.900 0.027 0.000 0.986 88 G CA 1.591 46.706 45.100 0.025 0.000 0.643 88 G HN 0.965 nan 8.290 nan 0.000 0.522 89 T N -1.874 112.689 114.554 0.014 0.000 2.720 89 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 89 T C 2.210 176.918 174.700 0.014 0.000 1.037 89 T CA 2.666 64.773 62.100 0.011 0.000 1.144 89 T CB -0.817 68.046 68.868 -0.009 0.000 0.864 89 T HN 0.381 nan 8.240 nan 0.000 0.444 90 T N 1.785 116.345 114.554 0.010 0.000 2.746 90 T HA -0.093 4.257 4.350 -0.000 0.000 0.267 90 T C 2.222 176.933 174.700 0.017 0.000 1.039 90 T CA 1.828 63.935 62.100 0.011 0.000 1.142 90 T CB -0.894 67.979 68.868 0.008 0.000 0.866 90 T HN 0.556 nan 8.240 nan 0.000 0.444 91 T N 2.097 116.663 114.554 0.021 0.000 2.643 91 T HA -0.013 4.337 4.350 -0.000 0.000 0.264 91 T C 2.401 177.118 174.700 0.029 0.000 1.045 91 T CA 1.172 63.286 62.100 0.024 0.000 1.155 91 T CB -0.801 68.082 68.868 0.025 0.000 0.863 91 T HN 0.423 nan 8.240 nan 0.000 0.420 92 A N 1.622 124.467 122.820 0.040 0.000 1.883 92 A HA -0.312 4.008 4.320 -0.000 0.000 0.222 92 A C 2.507 180.117 177.584 0.042 0.000 1.339 92 A CA 2.949 55.020 52.037 0.056 0.000 0.692 92 A CB -1.717 17.330 19.000 0.078 0.000 0.845 92 A HN 0.485 nan 8.150 nan 0.000 0.467 93 T N -0.632 113.941 114.554 0.032 0.000 2.649 93 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 93 T C 1.851 176.564 174.700 0.022 0.000 1.036 93 T CA 1.954 64.068 62.100 0.024 0.000 1.157 93 T CB -0.629 68.249 68.868 0.016 0.000 0.861 93 T HN 0.213 nan 8.240 nan 0.000 0.445 94 V N 1.120 121.046 119.914 0.021 0.000 2.343 94 V HA -0.120 4.000 4.120 -0.000 0.000 0.247 94 V C 2.459 178.565 176.094 0.020 0.000 1.051 94 V CA 1.514 63.825 62.300 0.018 0.000 1.036 94 V CB -0.608 31.225 31.823 0.017 0.000 0.654 94 V HN 0.452 nan 8.190 nan 0.000 0.451 95 L N -0.239 120.998 121.223 0.023 0.000 2.201 95 L HA -0.126 4.214 4.340 -0.000 0.000 0.212 95 L C 2.554 179.438 176.870 0.023 0.000 1.105 95 L CA 1.307 56.160 54.840 0.022 0.000 0.775 95 L CB -0.593 41.480 42.059 0.023 0.000 0.913 95 L HN 0.371 nan 8.230 nan 0.000 0.440 96 A N 0.048 122.884 122.820 0.027 0.000 1.878 96 A HA -0.204 4.116 4.320 -0.000 0.000 0.213 96 A C 2.190 179.787 177.584 0.022 0.000 1.192 96 A CA 1.072 53.126 52.037 0.028 0.000 0.619 96 A CB -0.474 18.546 19.000 0.034 0.000 0.837 96 A HN 0.452 nan 8.150 nan 0.000 0.446 97 Q N 0.097 119.909 119.800 0.020 0.000 2.308 97 Q HA -0.045 4.295 4.340 -0.000 0.000 0.209 97 Q C 1.591 177.599 176.000 0.014 0.000 0.985 97 Q CA 2.186 57.999 55.803 0.016 0.000 0.881 97 Q CB -0.359 28.388 28.738 0.014 0.000 0.917 97 Q HN 0.516 nan 8.270 nan 0.000 0.443 98 A N 0.286 123.115 122.820 0.015 0.000 1.920 98 A HA 0.148 4.468 4.320 -0.000 0.000 0.209 98 A C 2.020 179.611 177.584 0.013 0.000 1.229 98 A CA 0.619 52.664 52.037 0.013 0.000 0.671 98 A CB -0.291 18.716 19.000 0.013 0.000 0.886 98 A HN 0.398 nan 8.150 nan 0.000 0.461 99 I N 0.246 120.825 120.570 0.015 0.000 2.179 99 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 99 I C 2.281 178.407 176.117 0.014 0.000 1.088 99 I CA 1.478 62.786 61.300 0.014 0.000 1.357 99 I CB -0.528 37.482 38.000 0.016 0.000 1.051 99 I HN 0.285 nan 8.210 nan 0.000 0.409 100 I N 0.514 121.094 120.570 0.016 0.000 2.163 100 I HA -0.311 3.859 4.170 -0.000 0.000 0.243 100 I C 2.625 178.749 176.117 0.013 0.000 1.085 100 I CA 1.743 63.052 61.300 0.015 0.000 1.347 100 I CB -0.787 37.224 38.000 0.017 0.000 1.044 100 I HN 0.218 nan 8.210 nan 0.000 0.408 101 T N -0.128 114.433 114.554 0.012 0.000 2.720 101 T HA -0.177 4.173 4.350 -0.000 0.000 0.268 101 T C 1.885 176.590 174.700 0.008 0.000 1.037 101 T CA 1.399 63.504 62.100 0.009 0.000 1.144 101 T CB -0.131 68.742 68.868 0.008 0.000 0.864 101 T HN 0.243 nan 8.240 nan 0.000 0.444 102 E N 0.490 120.695 120.200 0.009 0.000 2.033 102 E HA 0.072 4.422 4.350 -0.000 0.000 0.189 102 E C 2.517 179.121 176.600 0.007 0.000 0.979 102 E CA 1.090 57.495 56.400 0.007 0.000 0.802 102 E CB -1.111 28.594 29.700 0.008 0.000 0.763 102 E HN 0.463 nan 8.360 nan 0.000 0.449 103 G N 1.835 110.640 108.800 0.009 0.000 2.553 103 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.218 103 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.218 103 G C 1.705 176.610 174.900 0.009 0.000 1.195 103 G CA 1.271 46.376 45.100 0.010 0.000 0.779 103 G HN 0.261 nan 8.290 nan 0.000 0.577 104 L N 0.259 121.488 121.223 0.010 0.000 2.129 104 L HA -0.127 4.213 4.340 -0.000 0.000 0.212 104 L C 2.807 179.681 176.870 0.007 0.000 1.087 104 L CA 1.786 56.632 54.840 0.009 0.000 0.757 104 L CB -0.358 41.706 42.059 0.009 0.000 0.896 104 L HN 0.310 nan 8.230 nan 0.000 0.434 105 K N 0.241 120.644 120.400 0.006 0.000 2.228 105 K HA -0.064 4.256 4.320 -0.000 0.000 0.202 105 K C 2.045 178.647 176.600 0.004 0.000 1.051 105 K CA 0.930 57.219 56.287 0.004 0.000 0.960 105 K CB 0.095 32.597 32.500 0.004 0.000 0.743 105 K HN 0.244 nan 8.250 nan 0.000 0.458 106 A N 0.399 123.221 122.820 0.005 0.000 2.021 106 A HA 0.010 4.330 4.320 -0.000 0.000 0.216 106 A C 2.016 179.603 177.584 0.005 0.000 1.163 106 A CA 0.678 52.718 52.037 0.004 0.000 0.676 106 A CB -0.168 18.835 19.000 0.005 0.000 0.818 106 A HN 0.127 nan 8.150 nan 0.000 0.453 107 V N 0.102 120.020 119.914 0.006 0.000 2.490 107 V HA -0.240 3.880 4.120 -0.000 0.000 0.250 107 V C 2.951 179.048 176.094 0.005 0.000 1.061 107 V CA 1.762 64.067 62.300 0.007 0.000 1.064 107 V CB -1.164 30.665 31.823 0.010 0.000 0.670 107 V HN 0.571 nan 8.190 nan 0.000 0.461 108 A N 0.033 122.856 122.820 0.004 0.000 2.015 108 A HA -0.005 4.315 4.320 -0.000 0.000 0.219 108 A C 2.356 179.941 177.584 0.001 0.000 1.163 108 A CA 1.688 53.727 52.037 0.002 0.000 0.646 108 A CB -0.516 18.484 19.000 0.001 0.000 0.806 108 A HN 0.563 nan 8.150 nan 0.000 0.448 109 A N -1.774 121.047 122.820 0.002 0.000 2.066 109 A HA 0.366 4.686 4.320 -0.000 0.000 0.218 109 A C 1.825 179.409 177.584 0.001 0.000 1.157 109 A CA 1.555 53.593 52.037 0.001 0.000 0.670 109 A CB -0.648 18.352 19.000 0.001 0.000 0.804 109 A HN 1.833 nan 8.150 nan 0.000 0.453 110 G N -2.125 106.676 108.800 0.002 0.000 2.143 110 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.175 110 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.175 110 G C 0.098 174.999 174.900 0.002 0.000 1.004 110 G CA 0.010 45.111 45.100 0.001 0.000 0.671 110 G HN 0.330 nan 8.290 nan 0.000 0.512 111 M N 0.626 120.227 119.600 0.003 0.000 2.232 111 M HA 0.239 4.719 4.480 -0.000 0.000 0.321 111 M C 0.826 177.129 176.300 0.006 0.000 1.101 111 M CA -0.280 55.023 55.300 0.004 0.000 1.181 111 M CB 0.271 32.873 32.600 0.004 0.000 1.432 111 M HN 0.223 nan 8.290 nan 0.000 0.457 112 N N 2.702 121.406 118.700 0.006 0.000 2.402 112 N HA 0.177 4.917 4.740 -0.000 0.000 0.252 112 N C -2.173 173.343 175.510 0.009 0.000 1.118 112 N CA -1.969 51.086 53.050 0.007 0.000 0.945 112 N CB 0.725 39.216 38.487 0.006 0.000 1.147 112 N HN 0.210 nan 8.380 nan 0.000 0.495 113 P HA -0.133 nan 4.420 nan 0.000 0.218 113 P C 1.531 178.839 177.300 0.013 0.000 1.149 113 P CA 0.969 64.076 63.100 0.013 0.000 0.817 113 P CB 0.150 31.860 31.700 0.016 0.000 0.785 114 M N -0.297 119.311 119.600 0.013 0.000 2.202 114 M HA -0.131 4.349 4.480 -0.000 0.000 0.262 114 M C 1.200 177.506 176.300 0.010 0.000 1.063 114 M CA 1.600 56.908 55.300 0.013 0.000 1.097 114 M CB -1.421 31.186 32.600 0.013 0.000 1.382 114 M HN -0.053 nan 8.290 nan 0.000 0.413 115 D N -0.281 120.124 120.400 0.009 0.000 2.213 115 D HA 0.010 4.650 4.640 -0.000 0.000 0.205 115 D C 2.223 178.527 176.300 0.007 0.000 0.961 115 D CA 0.531 54.535 54.000 0.007 0.000 0.853 115 D CB 0.015 40.818 40.800 0.006 0.000 0.967 115 D HN 0.291 nan 8.370 nan 0.000 0.496 116 L N 0.948 122.176 121.223 0.008 0.000 2.013 116 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 116 L C 2.528 179.403 176.870 0.009 0.000 1.073 116 L CA 1.424 56.269 54.840 0.008 0.000 0.753 116 L CB -0.390 41.675 42.059 0.009 0.000 0.890 116 L HN 0.047 nan 8.230 nan 0.000 0.432 117 K N 0.203 120.609 120.400 0.010 0.000 2.009 117 K HA -0.216 4.104 4.320 -0.000 0.000 0.210 117 K C 2.253 178.859 176.600 0.009 0.000 1.049 117 K CA 1.445 57.739 56.287 0.011 0.000 0.929 117 K CB -0.063 32.445 32.500 0.013 0.000 0.714 117 K HN 0.189 nan 8.250 nan 0.000 0.440 118 R N -0.285 120.220 120.500 0.008 0.000 2.096 118 R HA -0.144 4.196 4.340 -0.000 0.000 0.240 118 R C 2.521 178.824 176.300 0.005 0.000 1.139 118 R CA 1.626 57.730 56.100 0.006 0.000 0.952 118 R CB -0.802 29.501 30.300 0.006 0.000 0.854 118 R HN 0.465 nan 8.270 nan 0.000 0.436 119 G N 1.438 110.241 108.800 0.005 0.000 2.421 119 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 119 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 119 G C 1.526 176.428 174.900 0.003 0.000 1.171 119 G CA 0.630 45.733 45.100 0.004 0.000 0.775 119 G HN 0.165 nan 8.290 nan 0.000 0.543 120 I N 1.456 122.029 120.570 0.005 0.000 2.185 120 I HA -0.232 3.938 4.170 -0.000 0.000 0.246 120 I C 2.362 178.480 176.117 0.002 0.000 1.088 120 I CA 1.651 62.953 61.300 0.004 0.000 1.347 120 I CB -0.163 37.841 38.000 0.007 0.000 1.041 120 I HN 0.146 nan 8.210 nan 0.000 0.415 121 D N 0.643 121.044 120.400 0.002 0.000 2.084 121 D HA -0.201 4.439 4.640 -0.000 0.000 0.196 121 D C 2.012 178.310 176.300 -0.003 0.000 0.985 121 D CA 1.168 55.167 54.000 -0.001 0.000 0.826 121 D CB -0.354 40.447 40.800 0.000 0.000 0.978 121 D HN 0.337 nan 8.370 nan 0.000 0.456 122 K N 1.421 121.820 120.400 -0.001 0.000 2.000 122 K HA -0.244 4.076 4.320 -0.000 0.000 0.218 122 K C 2.176 178.774 176.600 -0.003 0.000 1.053 122 K CA 1.956 58.242 56.287 -0.002 0.000 0.946 122 K CB -0.286 32.214 32.500 -0.000 0.000 0.723 122 K HN 0.008 nan 8.250 nan 0.000 0.446 123 A N 0.520 123.338 122.820 -0.002 0.000 1.916 123 A HA -0.288 4.032 4.320 -0.000 0.000 0.224 123 A C 2.325 179.905 177.584 -0.006 0.000 1.366 123 A CA 2.711 54.746 52.037 -0.002 0.000 0.692 123 A CB -1.320 17.680 19.000 -0.000 0.000 0.841 123 A HN 0.270 nan 8.150 nan 0.000 0.480 124 V N -0.577 119.332 119.914 -0.008 0.000 2.427 124 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 124 V C 2.680 178.762 176.094 -0.019 0.000 1.051 124 V CA 2.392 64.683 62.300 -0.015 0.000 1.048 124 V CB -1.206 30.605 31.823 -0.020 0.000 0.666 124 V HN 0.699 nan 8.190 nan 0.000 0.456 125 T N 0.374 114.918 114.554 -0.016 0.000 2.881 125 T HA -0.107 4.243 4.350 -0.000 0.000 0.270 125 T C 1.986 176.677 174.700 -0.014 0.000 1.068 125 T CA 1.407 63.497 62.100 -0.017 0.000 1.131 125 T CB -0.297 68.564 68.868 -0.012 0.000 0.871 125 T HN 0.562 nan 8.240 nan 0.000 0.479 126 A N 1.337 124.151 122.820 -0.010 0.000 1.898 126 A HA 0.405 4.725 4.320 -0.000 0.000 0.214 126 A C 2.641 180.220 177.584 -0.008 0.000 1.183 126 A CA 1.304 53.337 52.037 -0.007 0.000 0.622 126 A CB -0.973 18.024 19.000 -0.004 0.000 0.824 126 A HN 0.481 nan 8.150 nan 0.000 0.444 127 A N -0.466 122.349 122.820 -0.009 0.000 1.930 127 A HA 0.038 4.358 4.320 -0.000 0.000 0.217 127 A C 2.165 179.741 177.584 -0.013 0.000 1.175 127 A CA 1.667 53.699 52.037 -0.009 0.000 0.627 127 A CB -0.778 18.217 19.000 -0.009 0.000 0.815 127 A HN 0.344 nan 8.150 nan 0.000 0.443 128 V N -0.053 119.849 119.914 -0.020 0.000 2.427 128 V HA -0.190 3.930 4.120 -0.000 0.000 0.248 128 V C 2.607 178.691 176.094 -0.016 0.000 1.051 128 V CA 2.153 64.439 62.300 -0.024 0.000 1.048 128 V CB -0.667 31.135 31.823 -0.036 0.000 0.666 128 V HN 0.459 nan 8.190 nan 0.000 0.456 129 E N 0.040 120.233 120.200 -0.012 0.000 2.038 129 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 129 E C 2.325 178.922 176.600 -0.004 0.000 1.000 129 E CA 1.077 57.473 56.400 -0.008 0.000 0.803 129 E CB -0.384 29.312 29.700 -0.006 0.000 0.750 129 E HN 0.477 nan 8.360 nan 0.000 0.448 130 E N 0.354 120.552 120.200 -0.003 0.000 2.070 130 E HA -0.176 4.174 4.350 -0.000 0.000 0.197 130 E C 2.371 178.972 176.600 0.001 0.000 1.004 130 E CA 0.737 57.137 56.400 0.000 0.000 0.805 130 E CB -0.428 29.272 29.700 0.001 0.000 0.744 130 E HN 0.282 nan 8.360 nan 0.000 0.451 131 L N 0.653 121.875 121.223 -0.001 0.000 2.042 131 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 131 L C 2.415 179.285 176.870 0.000 0.000 1.076 131 L CA 1.368 56.208 54.840 -0.000 0.000 0.749 131 L CB -0.352 41.705 42.059 -0.005 0.000 0.893 131 L HN 0.052 nan 8.230 nan 0.000 0.432 132 K N -0.173 120.225 120.400 -0.003 0.000 2.360 132 K HA -0.087 4.233 4.320 -0.000 0.000 0.201 132 K C 1.997 178.598 176.600 0.002 0.000 1.046 132 K CA 1.065 57.351 56.287 -0.001 0.000 0.945 132 K CB -0.109 32.389 32.500 -0.003 0.000 0.750 132 K HN 0.315 nan 8.250 nan 0.000 0.464 133 A N 0.381 123.202 122.820 0.002 0.000 2.081 133 A HA 0.014 4.334 4.320 -0.000 0.000 0.214 133 A C 1.807 179.395 177.584 0.007 0.000 1.158 133 A CA 0.625 52.664 52.037 0.004 0.000 0.724 133 A CB 0.036 19.038 19.000 0.004 0.000 0.826 133 A HN 0.092 nan 8.150 nan 0.000 0.463 134 L N -0.581 120.647 121.223 0.008 0.000 2.375 134 L HA 0.176 4.516 4.340 -0.000 0.000 0.215 134 L C 1.398 178.275 176.870 0.012 0.000 1.108 134 L CA 0.674 55.521 54.840 0.011 0.000 0.830 134 L CB -0.142 41.925 42.059 0.014 0.000 0.959 134 L HN 0.249 nan 8.230 nan 0.000 0.457 135 S N -0.276 115.430 115.700 0.009 0.000 2.549 135 S HA 0.345 4.815 4.470 -0.000 0.000 0.286 135 S C -0.316 174.289 174.600 0.009 0.000 1.314 135 S CA -0.396 57.809 58.200 0.009 0.000 1.062 135 S CB 0.225 63.429 63.200 0.007 0.000 0.865 135 S HN 0.104 nan 8.310 nan 0.000 0.498 136 V N 3.467 123.387 119.914 0.010 0.000 2.735 136 V HA 0.744 4.864 4.120 -0.000 0.000 0.310 136 V C -2.916 173.184 176.094 0.009 0.000 1.061 136 V CA -2.753 59.553 62.300 0.009 0.000 0.913 136 V CB 1.243 33.072 31.823 0.011 0.000 1.005 136 V HN 0.640 nan 8.190 nan 0.000 0.428 137 P HA 0.280 nan 4.420 nan 0.000 0.271 137 P C -0.645 176.660 177.300 0.008 0.000 1.218 137 P CA -0.114 62.991 63.100 0.007 0.000 0.780 137 P CB 0.594 32.297 31.700 0.006 0.000 0.901 138 C N 3.053 122.358 119.300 0.008 0.000 2.258 138 C HA 0.578 5.038 4.460 -0.000 0.000 0.321 138 C C 1.166 176.160 174.990 0.006 0.000 1.168 138 C CA 0.463 59.486 59.018 0.007 0.000 1.531 138 C CB -1.113 26.633 27.740 0.009 0.000 2.095 138 C HN 0.680 nan 8.230 nan 0.000 0.449 139 S N 2.177 117.880 115.700 0.005 0.000 2.684 139 S HA 0.183 4.653 4.470 -0.000 0.000 0.268 139 S C -0.124 174.477 174.600 0.003 0.000 1.075 139 S CA 0.193 58.395 58.200 0.004 0.000 1.184 139 S CB -0.342 62.860 63.200 0.003 0.000 1.129 139 S HN 0.864 nan 8.310 nan 0.000 0.630 140 D N 1.409 121.811 120.400 0.003 0.000 2.358 140 D HA 0.453 5.093 4.640 -0.000 0.000 0.244 140 D C 0.947 177.248 176.300 0.002 0.000 1.163 140 D CA -0.356 53.645 54.000 0.002 0.000 0.945 140 D CB 0.709 41.510 40.800 0.002 0.000 1.152 140 D HN -0.049 nan 8.370 nan 0.000 0.451 141 S N -0.556 115.145 115.700 0.001 0.000 2.423 141 S HA -0.158 4.312 4.470 -0.000 0.000 0.231 141 S C 1.539 176.140 174.600 0.001 0.000 1.014 141 S CA 0.991 59.191 58.200 0.000 0.000 0.965 141 S CB -0.343 62.857 63.200 -0.001 0.000 0.785 141 S HN 0.613 nan 8.310 nan 0.000 0.495 142 K N 1.237 121.638 120.400 0.001 0.000 2.025 142 K HA -0.015 4.305 4.320 -0.000 0.000 0.207 142 K C 2.189 178.790 176.600 0.002 0.000 1.049 142 K CA 1.201 57.488 56.287 0.001 0.000 0.933 142 K CB -0.385 32.115 32.500 0.001 0.000 0.714 142 K HN 0.265 nan 8.250 nan 0.000 0.438 143 A N 1.873 124.695 122.820 0.003 0.000 1.858 143 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 143 A C 2.135 179.721 177.584 0.004 0.000 1.190 143 A CA 1.538 53.577 52.037 0.004 0.000 0.617 143 A CB -0.698 18.306 19.000 0.005 0.000 0.827 143 A HN 0.375 nan 8.150 nan 0.000 0.443 144 I N -0.129 120.444 120.570 0.004 0.000 2.143 144 I HA -0.405 3.765 4.170 -0.000 0.000 0.245 144 I C 2.973 179.092 176.117 0.004 0.000 1.068 144 I CA 1.584 62.886 61.300 0.004 0.000 1.326 144 I CB -0.638 37.364 38.000 0.002 0.000 1.028 144 I HN 0.420 nan 8.210 nan 0.000 0.412 145 A N -0.056 122.766 122.820 0.002 0.000 1.940 145 A HA -0.271 4.049 4.320 -0.000 0.000 0.219 145 A C 2.198 179.783 177.584 0.002 0.000 1.176 145 A CA 1.713 53.751 52.037 0.001 0.000 0.631 145 A CB -0.609 18.391 19.000 -0.000 0.000 0.814 145 A HN 0.524 nan 8.150 nan 0.000 0.446 146 Q N -0.759 119.042 119.800 0.002 0.000 2.167 146 Q HA -0.072 4.268 4.340 -0.000 0.000 0.202 146 Q C 2.207 178.208 176.000 0.003 0.000 0.970 146 Q CA 1.505 57.308 55.803 0.000 0.000 0.855 146 Q CB -0.328 28.410 28.738 0.000 0.000 0.911 146 Q HN 0.719 nan 8.270 nan 0.000 0.438 147 V N -1.333 118.585 119.914 0.007 0.000 2.346 147 V HA -0.016 4.104 4.120 -0.000 0.000 0.244 147 V C 1.921 178.023 176.094 0.013 0.000 1.037 147 V CA 2.101 64.407 62.300 0.011 0.000 1.029 147 V CB -1.150 30.682 31.823 0.015 0.000 0.663 147 V HN 0.328 nan 8.190 nan 0.000 0.454 148 G N 0.122 108.930 108.800 0.012 0.000 2.553 148 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.218 148 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.218 148 G C 1.631 176.537 174.900 0.010 0.000 1.195 148 G CA 2.015 47.123 45.100 0.013 0.000 0.779 148 G HN 0.513 nan 8.290 nan 0.000 0.577 149 T N 0.721 115.278 114.554 0.005 0.000 2.699 149 T HA -0.137 4.213 4.350 -0.000 0.000 0.268 149 T C 2.333 177.033 174.700 0.000 0.000 1.036 149 T CA 1.312 63.413 62.100 0.001 0.000 1.147 149 T CB -0.159 68.707 68.868 -0.003 0.000 0.862 149 T HN 0.175 nan 8.240 nan 0.000 0.446 150 I N 0.430 121.000 120.570 0.000 0.000 2.353 150 I HA -0.059 4.111 4.170 -0.000 0.000 0.248 150 I C 2.584 178.703 176.117 0.003 0.000 1.119 150 I CA 0.789 62.088 61.300 -0.002 0.000 1.417 150 I CB -0.288 37.710 38.000 -0.003 0.000 1.078 150 I HN 0.110 nan 8.210 nan 0.000 0.421 151 S N 0.404 116.110 115.700 0.011 0.000 2.383 151 S HA -0.078 4.392 4.470 -0.000 0.000 0.229 151 S C 1.702 176.312 174.600 0.016 0.000 1.030 151 S CA 1.091 59.302 58.200 0.017 0.000 1.002 151 S CB -0.364 62.853 63.200 0.028 0.000 0.829 151 S HN 0.468 nan 8.310 nan 0.000 0.467 152 A N 1.268 124.096 122.820 0.012 0.000 3.105 152 A HA 0.370 4.690 4.320 -0.000 0.000 0.272 152 A C 0.629 178.215 177.584 0.004 0.000 1.466 152 A CA -0.026 52.017 52.037 0.011 0.000 1.101 152 A CB -1.412 17.594 19.000 0.010 0.000 1.065 152 A HN 0.756 nan 8.150 nan 0.000 0.643 153 N N 0.370 119.071 118.700 0.002 0.000 2.686 153 N HA -0.271 4.469 4.740 -0.000 0.000 0.249 153 N C -0.099 175.407 175.510 -0.008 0.000 1.082 153 N CA 0.604 53.652 53.050 -0.003 0.000 0.725 153 N CB -0.537 37.949 38.487 -0.003 0.000 1.009 153 N HN 0.555 nan 8.380 nan 0.000 0.545 154 S N -1.140 114.555 115.700 -0.009 0.000 3.777 154 S HA -0.146 4.324 4.470 -0.000 0.000 0.296 154 S C -0.773 173.821 174.600 -0.010 0.000 1.173 154 S CA 0.482 58.674 58.200 -0.013 0.000 0.824 154 S CB -0.896 62.291 63.200 -0.021 0.000 0.932 154 S HN 0.576 nan 8.310 nan 0.000 0.571 155 D N 1.551 121.948 120.400 -0.005 0.000 2.456 155 D HA 0.277 4.917 4.640 -0.000 0.000 0.219 155 D C 1.180 177.478 176.300 -0.003 0.000 1.126 155 D CA -0.296 53.702 54.000 -0.004 0.000 0.890 155 D CB 0.523 41.322 40.800 -0.000 0.000 1.025 155 D HN 0.431 nan 8.370 nan 0.000 0.511 156 E N 0.818 121.014 120.200 -0.006 0.000 2.209 156 E HA -0.138 4.212 4.350 -0.000 0.000 0.196 156 E C 1.201 177.799 176.600 -0.003 0.000 0.993 156 E CA 1.126 57.523 56.400 -0.005 0.000 0.819 156 E CB 0.355 30.051 29.700 -0.007 0.000 0.745 156 E HN 0.467 nan 8.360 nan 0.000 0.477 157 T N 0.281 114.833 114.554 -0.002 0.000 2.896 157 T HA -0.064 4.286 4.350 -0.000 0.000 0.263 157 T C 2.175 176.875 174.700 0.000 0.000 1.050 157 T CA 0.717 62.816 62.100 -0.001 0.000 1.140 157 T CB -0.113 68.754 68.868 -0.001 0.000 0.877 157 T HN -0.014 nan 8.240 nan 0.000 0.457 158 V N 1.907 121.822 119.914 0.001 0.000 2.307 158 V HA -0.066 4.054 4.120 -0.000 0.000 0.245 158 V C 2.954 179.050 176.094 0.003 0.000 1.045 158 V CA 1.926 64.228 62.300 0.004 0.000 1.024 158 V CB -1.576 30.251 31.823 0.007 0.000 0.651 158 V HN 0.569 nan 8.190 nan 0.000 0.449 159 G N -0.208 108.593 108.800 0.002 0.000 2.491 159 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.218 159 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.218 159 G C 1.667 176.567 174.900 0.001 0.000 1.180 159 G CA 1.315 46.416 45.100 0.002 0.000 0.774 159 G HN 0.460 nan 8.290 nan 0.000 0.562 160 K N -0.440 119.960 120.400 -0.001 0.000 2.026 160 K HA -0.036 4.284 4.320 -0.000 0.000 0.208 160 K C 2.530 179.129 176.600 -0.001 0.000 1.048 160 K CA 1.098 57.385 56.287 -0.001 0.000 0.929 160 K CB -0.273 32.226 32.500 -0.002 0.000 0.713 160 K HN 0.261 nan 8.250 nan 0.000 0.439 161 L N 1.505 122.727 121.223 -0.001 0.000 2.056 161 L HA -0.106 4.234 4.340 -0.000 0.000 0.207 161 L C 2.154 179.023 176.870 -0.003 0.000 1.078 161 L CA 1.305 56.144 54.840 -0.002 0.000 0.749 161 L CB -0.319 41.739 42.059 -0.001 0.000 0.901 161 L HN 0.205 nan 8.230 nan 0.000 0.433 162 I N -1.010 119.559 120.570 -0.002 0.000 2.099 162 I HA -0.376 3.794 4.170 -0.000 0.000 0.239 162 I C 2.592 178.706 176.117 -0.005 0.000 1.066 162 I CA 1.379 62.677 61.300 -0.004 0.000 1.324 162 I CB -0.632 37.367 38.000 -0.001 0.000 1.037 162 I HN 0.298 nan 8.210 nan 0.000 0.401 163 A N 0.147 122.966 122.820 -0.003 0.000 1.903 163 A HA -0.306 4.014 4.320 -0.000 0.000 0.219 163 A C 2.265 179.847 177.584 -0.003 0.000 1.191 163 A CA 2.126 54.162 52.037 -0.002 0.000 0.638 163 A CB -0.803 18.196 19.000 -0.001 0.000 0.823 163 A HN 0.483 nan 8.150 nan 0.000 0.451 164 E N -0.724 119.474 120.200 -0.003 0.000 2.085 164 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 164 E C 2.384 178.981 176.600 -0.005 0.000 0.994 164 E CA 1.120 57.518 56.400 -0.004 0.000 0.801 164 E CB -0.258 29.440 29.700 -0.003 0.000 0.743 164 E HN 0.627 nan 8.360 nan 0.000 0.453 165 A N 1.205 124.022 122.820 -0.006 0.000 1.855 165 A HA -0.167 4.153 4.320 -0.000 0.000 0.215 165 A C 2.176 179.755 177.584 -0.009 0.000 1.191 165 A CA 1.314 53.346 52.037 -0.008 0.000 0.613 165 A CB -0.508 18.486 19.000 -0.010 0.000 0.829 165 A HN 0.165 nan 8.150 nan 0.000 0.442 166 M N -0.576 119.018 119.600 -0.010 0.000 2.255 166 M HA -0.230 4.250 4.480 -0.000 0.000 0.259 166 M C 1.686 177.981 176.300 -0.007 0.000 1.071 166 M CA 2.109 57.403 55.300 -0.010 0.000 1.074 166 M CB -0.800 31.795 32.600 -0.008 0.000 1.384 166 M HN 0.521 nan 8.290 nan 0.000 0.415 167 D N 0.169 120.565 120.400 -0.006 0.000 2.162 167 D HA -0.071 4.569 4.640 -0.000 0.000 0.203 167 D C 1.854 178.151 176.300 -0.005 0.000 0.967 167 D CA 1.234 55.231 54.000 -0.005 0.000 0.840 167 D CB 0.276 41.074 40.800 -0.004 0.000 0.972 167 D HN 0.203 nan 8.370 nan 0.000 0.482 168 K N -0.481 119.916 120.400 -0.005 0.000 2.128 168 K HA 0.021 4.341 4.320 -0.000 0.000 0.202 168 K C 2.007 178.604 176.600 -0.005 0.000 1.050 168 K CA 0.949 57.233 56.287 -0.005 0.000 0.966 168 K CB 0.183 32.681 32.500 -0.005 0.000 0.759 168 K HN 0.106 nan 8.250 nan 0.000 0.454 169 V N -1.789 118.121 119.914 -0.007 0.000 3.141 169 V HA 0.199 4.319 4.120 -0.000 0.000 0.265 169 V C 0.974 177.063 176.094 -0.008 0.000 1.126 169 V CA 0.592 62.888 62.300 -0.007 0.000 1.141 169 V CB -1.300 30.517 31.823 -0.010 0.000 0.743 169 V HN 0.414 nan 8.190 nan 0.000 0.492 170 G N 1.086 109.881 108.800 -0.007 0.000 2.584 170 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.229 170 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.229 170 G C 0.273 175.168 174.900 -0.008 0.000 1.320 170 G CA 0.274 45.370 45.100 -0.007 0.000 0.891 170 G HN 0.409 nan 8.290 nan 0.000 0.573 171 K N 0.615 121.010 120.400 -0.008 0.000 2.305 171 K HA 0.110 4.430 4.320 -0.000 0.000 0.199 171 K C 1.408 178.002 176.600 -0.011 0.000 1.047 171 K CA 1.378 57.660 56.287 -0.008 0.000 0.976 171 K CB 0.178 32.674 32.500 -0.006 0.000 0.765 171 K HN 0.575 nan 8.250 nan 0.000 0.474 172 E N 1.065 121.259 120.200 -0.011 0.000 2.496 172 E HA 0.106 4.456 4.350 -0.000 0.000 0.200 172 E C 0.188 176.780 176.600 -0.014 0.000 1.016 172 E CA -0.293 56.099 56.400 -0.013 0.000 0.962 172 E CB 1.072 30.765 29.700 -0.012 0.000 1.071 172 E HN 0.157 nan 8.360 nan 0.000 0.457 173 G N 1.053 109.844 108.800 -0.014 0.000 2.371 173 G HA2 0.423 4.383 3.960 -0.000 0.000 0.326 173 G HA3 0.423 4.383 3.960 -0.000 0.000 0.326 173 G C 0.138 175.026 174.900 -0.020 0.000 1.127 173 G CA -0.466 44.625 45.100 -0.015 0.000 0.885 173 G HN -0.017 nan 8.290 nan 0.000 0.477 174 V N 1.054 120.956 119.914 -0.020 0.000 2.785 174 V HA 0.529 4.649 4.120 -0.000 0.000 0.300 174 V C 0.109 176.188 176.094 -0.025 0.000 1.062 174 V CA -0.566 61.718 62.300 -0.026 0.000 1.029 174 V CB 1.217 33.026 31.823 -0.023 0.000 1.024 174 V HN 0.563 nan 8.190 nan 0.000 0.477 175 I N 2.810 123.360 120.570 -0.035 0.000 2.478 175 I HA 0.532 4.702 4.170 -0.000 0.000 0.287 175 I C -0.073 176.022 176.117 -0.037 0.000 1.042 175 I CA -0.143 61.138 61.300 -0.032 0.000 1.067 175 I CB 2.258 40.236 38.000 -0.036 0.000 1.233 175 I HN 0.838 nan 8.210 nan 0.000 0.431 176 T N 2.866 117.406 114.554 -0.022 0.000 2.908 176 T HA 0.708 5.058 4.350 -0.000 0.000 0.290 176 T C -0.524 174.172 174.700 -0.007 0.000 1.034 176 T CA -0.903 61.188 62.100 -0.015 0.000 1.010 176 T CB 2.217 71.082 68.868 -0.006 0.000 1.068 176 T HN 0.375 nan 8.240 nan 0.000 0.481 177 V N 0.982 120.896 119.914 0.000 0.000 2.513 177 V HA 0.880 5.000 4.120 -0.000 0.000 0.299 177 V C -0.929 175.172 176.094 0.013 0.000 1.035 177 V CA -0.655 61.649 62.300 0.007 0.000 0.889 177 V CB 1.110 32.941 31.823 0.012 0.000 0.988 177 V HN 1.203 nan 8.190 nan 0.000 0.440 178 E N 2.675 122.881 120.200 0.011 0.000 2.413 178 E HA 0.477 4.827 4.350 -0.000 0.000 0.277 178 E C -1.688 174.918 176.600 0.010 0.000 0.958 178 E CA -1.076 55.331 56.400 0.012 0.000 0.779 178 E CB 1.308 31.014 29.700 0.009 0.000 1.278 178 E HN 0.556 nan 8.360 nan 0.000 0.456 179 D N 0.899 121.306 120.400 0.011 0.000 2.506 179 D HA 0.229 4.869 4.640 -0.000 0.000 0.234 179 D C 0.233 176.537 176.300 0.006 0.000 1.143 179 D CA 0.778 54.784 54.000 0.010 0.000 0.871 179 D CB 0.825 41.631 40.800 0.010 0.000 1.190 179 D HN 0.572 nan 8.370 nan 0.000 0.459 180 G N -0.253 108.551 108.800 0.006 0.000 2.552 180 G HA2 0.411 4.371 3.960 -0.000 0.000 0.318 180 G HA3 0.411 4.371 3.960 -0.000 0.000 0.318 180 G C 0.956 175.858 174.900 0.003 0.000 1.240 180 G CA -0.206 44.897 45.100 0.004 0.000 1.002 180 G HN 0.424 nan 8.290 nan 0.000 0.493 181 T N -1.958 112.597 114.554 0.002 0.000 2.901 181 T HA 0.263 4.613 4.350 -0.000 0.000 0.252 181 T C 1.506 176.207 174.700 0.001 0.000 1.035 181 T CA 0.946 63.047 62.100 0.001 0.000 1.142 181 T CB -0.268 68.600 68.868 0.000 0.000 0.869 181 T HN 0.724 nan 8.240 nan 0.000 0.442 182 G N 0.522 109.323 108.800 0.001 0.000 2.695 182 G HA2 0.560 4.520 3.960 -0.000 0.000 0.213 182 G HA3 0.560 4.520 3.960 -0.000 0.000 0.213 182 G C 0.447 175.348 174.900 0.002 0.000 1.406 182 G CA -0.591 44.510 45.100 0.001 0.000 1.049 182 G HN 0.269 nan 8.290 nan 0.000 0.573 183 L N -0.493 120.730 121.223 0.001 0.000 2.408 183 L HA 0.160 4.500 4.340 -0.000 0.000 0.215 183 L C 0.441 177.312 176.870 0.001 0.000 1.081 183 L CA 0.551 55.392 54.840 0.001 0.000 0.840 183 L CB -0.193 41.867 42.059 0.001 0.000 1.002 183 L HN 0.435 nan 8.230 nan 0.000 0.468 184 Q N -0.025 119.776 119.800 0.001 0.000 2.222 184 Q HA 0.286 4.626 4.340 -0.000 0.000 0.252 184 Q C -0.711 175.289 176.000 0.001 0.000 0.926 184 Q CA -0.571 55.232 55.803 0.001 0.000 0.899 184 Q CB 0.607 29.345 28.738 -0.000 0.000 1.250 184 Q HN -0.041 nan 8.270 nan 0.000 0.441 185 D N 1.483 121.884 120.400 0.001 0.000 2.399 185 D HA 0.094 4.734 4.640 -0.000 0.000 0.241 185 D C -0.415 175.886 176.300 0.000 0.000 1.133 185 D CA 0.208 54.209 54.000 0.001 0.000 0.890 185 D CB 0.865 41.666 40.800 0.002 0.000 1.201 185 D HN 0.647 nan 8.370 nan 0.000 0.432 186 E N 1.415 121.615 120.200 0.000 0.000 2.290 186 E HA 0.359 4.709 4.350 -0.000 0.000 0.274 186 E C -1.809 174.790 176.600 -0.001 0.000 0.889 186 E CA -0.852 55.548 56.400 -0.001 0.000 0.760 186 E CB 1.562 31.262 29.700 -0.001 0.000 1.206 186 E HN 0.195 nan 8.360 nan 0.000 0.419 187 L N 4.179 125.400 121.223 -0.002 0.000 2.280 187 L HA 0.496 4.836 4.340 -0.000 0.000 0.287 187 L C -1.287 175.581 176.870 -0.004 0.000 1.023 187 L CA -0.220 54.619 54.840 -0.003 0.000 0.819 187 L CB 1.196 43.253 42.059 -0.003 0.000 1.212 187 L HN 0.470 nan 8.230 nan 0.000 0.420 188 D N 3.958 124.356 120.400 -0.004 0.000 2.175 188 D HA 0.498 5.138 4.640 -0.000 0.000 0.248 188 D C -0.905 175.392 176.300 -0.005 0.000 1.047 188 D CA 0.043 54.040 54.000 -0.005 0.000 0.883 188 D CB 2.365 43.162 40.800 -0.005 0.000 1.180 188 D HN 0.306 nan 8.370 nan 0.000 0.438 189 V N 2.623 122.534 119.914 -0.005 0.000 2.488 189 V HA 0.177 4.297 4.120 -0.000 0.000 0.293 189 V C -0.139 175.952 176.094 -0.004 0.000 1.027 189 V CA -0.814 61.483 62.300 -0.005 0.000 0.862 189 V CB 1.853 33.673 31.823 -0.004 0.000 1.008 189 V HN 0.287 nan 8.190 nan 0.000 0.428 190 V N 3.666 123.578 119.914 -0.004 0.000 2.546 190 V HA 0.430 4.550 4.120 -0.000 0.000 0.284 190 V C 0.274 176.367 176.094 -0.000 0.000 1.050 190 V CA -0.709 61.590 62.300 -0.003 0.000 0.981 190 V CB 1.377 33.199 31.823 -0.003 0.000 0.990 190 V HN 0.729 nan 8.190 nan 0.000 0.474 191 E N 3.042 123.241 120.200 -0.001 0.000 2.167 191 E HA 0.504 4.854 4.350 -0.000 0.000 0.284 191 E C 0.808 177.411 176.600 0.005 0.000 1.016 191 E CA 0.837 57.237 56.400 0.001 0.000 0.817 191 E CB 1.336 31.035 29.700 -0.001 0.000 1.080 191 E HN 1.009 nan 8.360 nan 0.000 0.397 192 G N 3.534 112.338 108.800 0.007 0.000 2.550 192 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.277 192 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.277 192 G C 0.012 174.926 174.900 0.024 0.000 1.190 192 G CA 0.386 45.494 45.100 0.013 0.000 0.971 192 G HN 0.552 nan 8.290 nan 0.000 0.559 193 M N 1.146 120.768 119.600 0.038 0.000 2.209 193 M HA 0.717 5.197 4.480 -0.000 0.000 0.355 193 M C -0.368 175.993 176.300 0.102 0.000 1.171 193 M CA -0.153 55.189 55.300 0.070 0.000 1.069 193 M CB 1.345 33.990 32.600 0.075 0.000 1.622 193 M HN 0.966 nan 8.290 nan 0.000 0.459 194 Q N 4.753 124.639 119.800 0.143 0.000 2.503 194 Q HA 0.479 4.819 4.340 -0.000 0.000 0.268 194 Q C -2.213 173.910 176.000 0.205 0.000 0.982 194 Q CA -0.756 55.119 55.803 0.120 0.000 0.907 194 Q CB 1.513 30.254 28.738 0.004 0.000 1.467 194 Q HN 0.812 nan 8.270 nan 0.000 0.394 195 F N -0.217 119.725 119.950 -0.013 0.000 2.764 195 F HA 0.615 5.142 4.527 -0.000 0.000 0.347 195 F C -0.546 175.244 175.800 -0.016 0.000 1.151 195 F CA -1.247 56.747 58.000 -0.011 0.000 1.021 195 F CB 0.692 39.689 39.000 -0.006 0.000 1.438 195 F HN 0.410 nan 8.300 nan 0.000 0.516 196 D N 0.440 120.921 120.400 0.136 0.000 2.881 196 D HA 0.236 4.876 4.640 -0.000 0.000 0.240 196 D C -0.576 175.711 176.300 -0.023 0.000 1.249 196 D CA 0.043 54.053 54.000 0.017 0.000 0.839 196 D CB -0.136 40.702 40.800 0.062 0.000 1.042 196 D HN 0.112 nan 8.370 nan 0.000 0.475 197 R N 0.537 120.945 120.500 -0.154 0.000 2.513 197 R HA 0.620 4.960 4.340 -0.000 0.000 0.301 197 R C 0.311 176.477 176.300 -0.224 0.000 0.968 197 R CA -0.798 55.232 56.100 -0.116 0.000 0.872 197 R CB 1.684 32.017 30.300 0.055 0.000 1.177 197 R HN 0.171 nan 8.270 nan 0.000 0.444 198 G N 1.494 110.165 108.800 -0.216 0.000 2.488 198 G HA2 0.407 4.367 3.960 -0.000 0.000 0.318 198 G HA3 0.407 4.367 3.960 -0.000 0.000 0.318 198 G C -0.543 174.199 174.900 -0.262 0.000 1.188 198 G CA -0.546 44.324 45.100 -0.384 0.000 0.944 198 G HN 0.456 nan 8.290 nan 0.000 0.495 199 Y N -1.021 119.294 120.300 0.025 0.000 2.757 199 Y HA 0.155 4.705 4.550 -0.000 0.000 0.344 199 Y C 1.230 177.226 175.900 0.159 0.000 1.263 199 Y CA -0.679 57.484 58.100 0.105 0.000 1.493 199 Y CB 0.301 38.882 38.460 0.202 0.000 1.342 199 Y HN 0.209 nan 8.280 nan 0.000 0.627 200 L N 1.421 122.928 121.223 0.473 0.000 2.446 200 L HA 0.081 4.421 4.340 -0.000 0.000 0.219 200 L C 0.486 177.576 176.870 0.366 0.000 1.116 200 L CA 0.854 55.910 54.840 0.360 0.000 0.844 200 L CB -0.092 42.145 42.059 0.297 0.000 0.970 200 L HN 0.837 nan 8.230 nan 0.000 0.457 201 S N -2.490 113.480 115.700 0.449 0.000 2.575 201 S HA 0.404 4.874 4.470 -0.000 0.000 0.278 201 S C -2.407 172.177 174.600 -0.027 0.000 1.139 201 S CA -1.248 57.047 58.200 0.159 0.000 0.954 201 S CB 1.811 65.004 63.200 -0.012 0.000 1.054 201 S HN -0.241 nan 8.310 nan 0.000 0.483 202 P HA 0.011 nan 4.420 nan 0.000 0.236 202 P C 0.148 177.100 177.300 -0.579 0.000 1.172 202 P CA 0.690 63.382 63.100 -0.680 0.000 0.759 202 P CB -0.314 31.131 31.700 -0.425 0.000 0.843 203 Y N -2.684 117.407 120.300 -0.349 0.000 2.420 203 Y HA 0.007 4.557 4.550 -0.000 0.000 0.292 203 Y C 1.869 177.607 175.900 -0.270 0.000 1.119 203 Y CA 0.634 58.547 58.100 -0.311 0.000 1.229 203 Y CB -1.007 37.248 38.460 -0.341 0.000 1.026 203 Y HN -0.098 nan 8.280 nan 0.000 0.554 204 F N 0.297 120.230 119.950 -0.027 0.000 2.250 204 F HA -0.135 4.392 4.527 -0.000 0.000 0.301 204 F C 0.991 176.748 175.800 -0.071 0.000 1.077 204 F CA 0.187 58.170 58.000 -0.028 0.000 1.348 204 F CB -0.968 38.028 39.000 -0.006 0.000 1.040 204 F HN -0.152 nan 8.300 nan 0.000 0.509 205 I N 2.513 123.075 120.570 -0.013 0.000 2.792 205 I HA -0.180 3.990 4.170 -0.000 0.000 0.284 205 I C 0.933 177.050 176.117 0.000 0.000 1.166 205 I CA 0.286 61.551 61.300 -0.059 0.000 1.375 205 I CB -0.110 37.772 38.000 -0.196 0.000 1.421 205 I HN 0.192 nan 8.210 nan 0.000 0.544 206 N N 5.803 124.522 118.700 0.032 0.000 2.336 206 N HA 0.001 4.741 4.740 -0.000 0.000 0.189 206 N C -0.058 175.463 175.510 0.018 0.000 1.113 206 N CA 0.182 53.250 53.050 0.031 0.000 0.858 206 N CB 0.412 38.925 38.487 0.044 0.000 0.970 206 N HN 0.424 nan 8.380 nan 0.000 0.471 207 K N 0.889 121.296 120.400 0.013 0.000 2.701 207 K HA 0.220 4.540 4.320 -0.000 0.000 0.212 207 K C -2.234 174.369 176.600 0.004 0.000 1.035 207 K CA -1.496 54.797 56.287 0.010 0.000 1.048 207 K CB 2.436 34.946 32.500 0.016 0.000 1.234 207 K HN -0.007 nan 8.250 nan 0.000 0.540 208 P HA -0.159 nan 4.420 nan 0.000 0.222 208 P C 0.372 177.671 177.300 -0.001 0.000 1.147 208 P CA 1.199 64.293 63.100 -0.011 0.000 0.790 208 P CB 0.466 32.156 31.700 -0.017 0.000 0.780 209 E N -0.022 120.179 120.200 0.002 0.000 2.118 209 E HA -0.121 4.229 4.350 -0.000 0.000 0.195 209 E C 1.867 178.472 176.600 0.009 0.000 0.992 209 E CA 1.789 58.192 56.400 0.004 0.000 0.804 209 E CB -1.524 28.179 29.700 0.004 0.000 0.741 209 E HN 0.277 nan 8.360 nan 0.000 0.458 210 T N -1.060 113.503 114.554 0.014 0.000 3.014 210 T HA 0.164 4.514 4.350 -0.000 0.000 0.263 210 T C 1.477 176.198 174.700 0.034 0.000 1.078 210 T CA 0.657 62.769 62.100 0.021 0.000 1.135 210 T CB -0.047 68.835 68.868 0.023 0.000 0.895 210 T HN 0.426 nan 8.240 nan 0.000 0.480 211 G N 1.412 110.233 108.800 0.035 0.000 2.160 211 G HA2 0.058 4.018 3.960 -0.000 0.000 0.244 211 G HA3 0.058 4.018 3.960 -0.000 0.000 0.244 211 G C 0.036 175.010 174.900 0.123 0.000 1.022 211 G CA -0.002 45.132 45.100 0.057 0.000 0.741 211 G HN 0.982 nan 8.290 nan 0.000 0.508 212 A N -1.379 121.498 122.820 0.095 0.000 2.556 212 A HA 0.901 5.221 4.320 -0.000 0.000 0.294 212 A C -0.267 177.372 177.584 0.093 0.000 1.091 212 A CA -0.148 51.973 52.037 0.141 0.000 0.704 212 A CB 1.919 20.976 19.000 0.094 0.000 1.300 212 A HN 1.301 nan 8.150 nan 0.000 0.406 213 V N 0.920 120.908 119.914 0.123 0.000 2.539 213 V HA 0.613 4.733 4.120 -0.000 0.000 0.292 213 V C 0.141 176.264 176.094 0.048 0.000 1.045 213 V CA -0.314 62.037 62.300 0.085 0.000 0.945 213 V CB 1.361 33.254 31.823 0.116 0.000 0.993 213 V HN 0.908 nan 8.190 nan 0.000 0.464 214 E N 4.007 124.227 120.200 0.034 0.000 2.274 214 E HA 0.623 4.973 4.350 -0.000 0.000 0.269 214 E C -1.931 174.678 176.600 0.016 0.000 0.891 214 E CA -0.558 55.854 56.400 0.019 0.000 0.784 214 E CB 1.664 31.373 29.700 0.016 0.000 1.225 214 E HN 0.669 nan 8.360 nan 0.000 0.412 215 L N 2.505 123.732 121.223 0.008 0.000 2.388 215 L HA 0.606 4.946 4.340 -0.000 0.000 0.264 215 L C -0.594 176.273 176.870 -0.005 0.000 0.998 215 L CA -1.027 53.817 54.840 0.006 0.000 0.817 215 L CB 2.147 44.210 42.059 0.007 0.000 1.338 215 L HN 0.465 nan 8.230 nan 0.000 0.414 216 E N 0.357 120.552 120.200 -0.008 0.000 2.199 216 E HA 0.443 4.793 4.350 -0.000 0.000 0.269 216 E C -0.435 176.141 176.600 -0.040 0.000 0.899 216 E CA -0.870 55.517 56.400 -0.021 0.000 0.772 216 E CB 1.831 31.522 29.700 -0.015 0.000 1.155 216 E HN 0.599 nan 8.360 nan 0.000 0.408 217 S N 1.153 116.813 115.700 -0.066 0.000 3.614 217 S HA -0.122 4.348 4.470 -0.000 0.000 0.360 217 S C -2.268 172.226 174.600 -0.177 0.000 1.023 217 S CA 0.447 58.574 58.200 -0.122 0.000 1.114 217 S CB -1.525 61.607 63.200 -0.114 0.000 0.907 217 S HN 0.471 nan 8.310 nan 0.000 0.470 218 P HA 0.514 nan 4.420 nan 0.000 0.282 218 P C 0.099 177.317 177.300 -0.136 0.000 1.249 218 P CA -0.619 62.434 63.100 -0.078 0.000 0.806 218 P CB 0.438 32.133 31.700 -0.009 0.000 0.984 219 F N 1.520 121.472 119.950 0.004 0.000 2.406 219 F HA 0.316 4.843 4.527 -0.000 0.000 0.327 219 F C 1.043 176.845 175.800 0.003 0.000 1.153 219 F CA 0.247 58.249 58.000 0.004 0.000 1.218 219 F CB 0.315 39.317 39.000 0.004 0.000 1.215 219 F HN 0.083 nan 8.300 nan 0.000 0.570 220 I N 3.566 124.263 120.570 0.212 0.000 2.447 220 I HA 0.247 4.417 4.170 -0.000 0.000 0.287 220 I C -1.299 174.878 176.117 0.099 0.000 1.023 220 I CA -0.813 60.557 61.300 0.117 0.000 1.083 220 I CB 1.775 39.820 38.000 0.075 0.000 1.245 220 I HN 0.247 nan 8.210 nan 0.000 0.434 221 L N 8.080 129.345 121.223 0.070 0.000 2.262 221 L HA 0.495 4.835 4.340 -0.000 0.000 0.288 221 L C -0.878 176.012 176.870 0.033 0.000 1.035 221 L CA -0.116 54.751 54.840 0.045 0.000 0.820 221 L CB 0.688 42.766 42.059 0.031 0.000 1.204 221 L HN 0.456 nan 8.230 nan 0.000 0.424 222 L N 6.180 127.418 121.223 0.025 0.000 2.264 222 L HA 0.672 5.012 4.340 -0.000 0.000 0.287 222 L C 0.021 176.895 176.870 0.008 0.000 1.039 222 L CA -0.506 54.341 54.840 0.012 0.000 0.829 222 L CB 1.104 43.164 42.059 0.002 0.000 1.211 222 L HN 0.769 nan 8.230 nan 0.000 0.427 223 A N 1.939 124.765 122.820 0.010 0.000 2.285 223 A HA 0.333 4.653 4.320 -0.000 0.000 0.310 223 A C -0.382 177.206 177.584 0.007 0.000 1.266 223 A CA -0.534 51.509 52.037 0.010 0.000 0.832 223 A CB 0.772 19.782 19.000 0.016 0.000 1.163 223 A HN 0.686 nan 8.150 nan 0.000 0.499 224 D N 2.752 123.153 120.400 0.002 0.000 2.713 224 D HA 0.352 4.992 4.640 -0.000 0.000 0.229 224 D C -0.062 176.242 176.300 0.008 0.000 1.136 224 D CA 0.330 54.330 54.000 0.000 0.000 1.010 224 D CB -0.600 40.195 40.800 -0.008 0.000 1.084 224 D HN 0.606 nan 8.370 nan 0.000 0.495 225 K N -0.361 120.048 120.400 0.015 0.000 2.774 225 K HA 0.199 4.519 4.320 -0.000 0.000 0.283 225 K C -1.067 175.549 176.600 0.027 0.000 1.050 225 K CA -1.145 55.154 56.287 0.020 0.000 0.872 225 K CB 0.586 33.095 32.500 0.016 0.000 1.434 225 K HN -0.179 nan 8.250 nan 0.000 0.372 226 K N 1.702 122.120 120.400 0.030 0.000 2.414 226 K HA 0.189 4.509 4.320 -0.000 0.000 0.272 226 K C -0.263 176.357 176.600 0.033 0.000 0.993 226 K CA 0.071 56.379 56.287 0.035 0.000 0.964 226 K CB 0.315 32.835 32.500 0.034 0.000 0.925 226 K HN 0.404 nan 8.250 nan 0.000 0.487 227 I N 2.346 122.940 120.570 0.040 0.000 2.420 227 I HA 0.033 4.203 4.170 -0.000 0.000 0.282 227 I C 0.288 176.430 176.117 0.041 0.000 1.019 227 I CA -0.060 61.264 61.300 0.039 0.000 1.130 227 I CB 1.703 39.730 38.000 0.044 0.000 1.262 227 I HN 0.668 nan 8.210 nan 0.000 0.454 228 S N 3.500 119.220 115.700 0.033 0.000 2.591 228 S HA 0.191 4.661 4.470 -0.000 0.000 0.235 228 S C 0.738 175.354 174.600 0.027 0.000 1.074 228 S CA -0.020 58.199 58.200 0.031 0.000 0.925 228 S CB 0.253 63.468 63.200 0.026 0.000 0.818 228 S HN 0.572 nan 8.310 nan 0.000 0.535 229 N N 2.080 120.794 118.700 0.023 0.000 2.444 229 N HA 0.268 5.008 4.740 -0.000 0.000 0.271 229 N C 0.406 175.928 175.510 0.020 0.000 1.069 229 N CA -0.072 52.989 53.050 0.019 0.000 0.965 229 N CB 1.421 39.917 38.487 0.014 0.000 1.092 229 N HN 0.147 nan 8.380 nan 0.000 0.476 230 I N 3.281 123.863 120.570 0.020 0.000 2.676 230 I HA -0.195 3.975 4.170 -0.000 0.000 0.259 230 I C 1.822 177.948 176.117 0.014 0.000 1.194 230 I CA 0.821 62.133 61.300 0.020 0.000 1.473 230 I CB 0.177 38.189 38.000 0.020 0.000 1.096 230 I HN 0.458 nan 8.210 nan 0.000 0.443 231 R N 0.939 121.445 120.500 0.010 0.000 2.119 231 R HA -0.239 4.101 4.340 -0.000 0.000 0.246 231 R C 1.735 178.038 176.300 0.006 0.000 1.146 231 R CA 1.904 58.008 56.100 0.006 0.000 0.962 231 R CB -0.850 29.453 30.300 0.005 0.000 0.863 231 R HN 0.499 nan 8.270 nan 0.000 0.442 232 E N 0.258 120.463 120.200 0.008 0.000 2.331 232 E HA -0.134 4.216 4.350 -0.000 0.000 0.199 232 E C 1.833 178.436 176.600 0.005 0.000 1.008 232 E CA 0.834 57.238 56.400 0.007 0.000 0.843 232 E CB -0.008 29.699 29.700 0.010 0.000 0.761 232 E HN 0.336 nan 8.360 nan 0.000 0.507 233 M N -0.178 119.426 119.600 0.008 0.000 2.429 233 M HA 0.055 4.535 4.480 -0.000 0.000 0.265 233 M C 2.255 178.554 176.300 -0.001 0.000 1.120 233 M CA 0.623 55.927 55.300 0.006 0.000 1.173 233 M CB -0.598 32.013 32.600 0.017 0.000 1.343 233 M HN 0.122 nan 8.290 nan 0.000 0.464 234 L N 1.038 122.261 121.223 -0.000 0.000 2.010 234 L HA -0.250 4.090 4.340 -0.000 0.000 0.219 234 L C -0.393 176.470 176.870 -0.013 0.000 1.077 234 L CA 2.047 56.884 54.840 -0.004 0.000 0.773 234 L CB -2.413 39.645 42.059 -0.002 0.000 0.892 234 L HN 0.169 nan 8.230 nan 0.000 0.436 235 P HA -0.154 nan 4.420 nan 0.000 0.217 235 P C 1.728 179.007 177.300 -0.035 0.000 1.148 235 P CA 1.532 64.619 63.100 -0.023 0.000 0.828 235 P CB 0.024 31.712 31.700 -0.020 0.000 0.783 236 V N 0.199 120.092 119.914 -0.036 0.000 2.300 236 V HA -0.126 3.994 4.120 -0.000 0.000 0.241 236 V C 2.787 178.844 176.094 -0.061 0.000 1.034 236 V CA 1.083 63.349 62.300 -0.057 0.000 1.021 236 V CB -1.355 30.441 31.823 -0.046 0.000 0.662 236 V HN -0.048 nan 8.190 nan 0.000 0.458 237 L N 0.217 121.421 121.223 -0.033 0.000 2.197 237 L HA -0.254 4.086 4.340 -0.000 0.000 0.215 237 L C 2.460 179.314 176.870 -0.027 0.000 1.095 237 L CA 1.736 56.564 54.840 -0.020 0.000 0.764 237 L CB -0.607 41.453 42.059 0.002 0.000 0.897 237 L HN 0.509 nan 8.230 nan 0.000 0.436 238 E N -0.441 119.740 120.200 -0.032 0.000 2.216 238 E HA 0.002 4.352 4.350 -0.000 0.000 0.192 238 E C 2.309 178.882 176.600 -0.044 0.000 0.973 238 E CA 0.712 57.095 56.400 -0.028 0.000 0.851 238 E CB 0.007 29.695 29.700 -0.021 0.000 0.804 238 E HN 0.453 nan 8.360 nan 0.000 0.477 239 A N 1.378 124.156 122.820 -0.069 0.000 1.969 239 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 239 A C 2.420 179.920 177.584 -0.139 0.000 1.169 239 A CA 0.971 52.949 52.037 -0.099 0.000 0.635 239 A CB -0.406 18.521 19.000 -0.122 0.000 0.810 239 A HN 0.096 nan 8.150 nan 0.000 0.445 240 V N -0.524 119.303 119.914 -0.145 0.000 2.488 240 V HA -0.104 4.016 4.120 -0.000 0.000 0.246 240 V C 2.915 178.994 176.094 -0.025 0.000 1.046 240 V CA 1.451 63.667 62.300 -0.139 0.000 1.053 240 V CB -1.206 30.550 31.823 -0.112 0.000 0.679 240 V HN 0.545 nan 8.190 nan 0.000 0.458 241 A N -0.403 122.408 122.820 -0.014 0.000 2.019 241 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 241 A C 2.333 179.923 177.584 0.012 0.000 1.164 241 A CA 1.712 53.754 52.037 0.009 0.000 0.644 241 A CB -0.381 18.622 19.000 0.005 0.000 0.805 241 A HN 0.479 nan 8.150 nan 0.000 0.449 242 K N -0.807 119.592 120.400 -0.003 0.000 2.167 242 K HA 0.089 4.409 4.320 -0.000 0.000 0.203 242 K C 1.983 178.596 176.600 0.021 0.000 1.052 242 K CA 0.852 57.141 56.287 0.003 0.000 0.956 242 K CB -0.111 32.382 32.500 -0.011 0.000 0.735 242 K HN 0.428 nan 8.250 nan 0.000 0.451 243 A N 0.200 123.039 122.820 0.031 0.000 2.169 243 A HA 0.135 4.455 4.320 -0.000 0.000 0.212 243 A C 1.286 178.939 177.584 0.115 0.000 1.153 243 A CA 0.933 53.024 52.037 0.090 0.000 0.756 243 A CB -0.238 18.850 19.000 0.148 0.000 0.813 243 A HN 0.404 nan 8.150 nan 0.000 0.471 244 G N -0.591 108.262 108.800 0.088 0.000 2.179 244 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.257 244 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.257 244 G C 0.123 175.081 174.900 0.097 0.000 1.010 244 G CA 0.859 46.005 45.100 0.077 0.000 0.736 244 G HN 0.599 nan 8.290 nan 0.000 0.513 245 K N 0.600 121.094 120.400 0.158 0.000 2.208 245 K HA 0.568 4.888 4.320 -0.000 0.000 0.247 245 K C -2.099 174.600 176.600 0.165 0.000 0.953 245 K CA -2.029 54.354 56.287 0.160 0.000 0.837 245 K CB 2.258 34.885 32.500 0.212 0.000 1.131 245 K HN 0.044 nan 8.250 nan 0.000 0.431 246 P HA 0.149 nan 4.420 nan 0.000 0.274 246 P C -1.250 176.130 177.300 0.133 0.000 1.256 246 P CA -0.511 62.647 63.100 0.098 0.000 0.795 246 P CB 0.635 32.368 31.700 0.056 0.000 1.038 247 L N 0.781 122.062 121.223 0.095 0.000 2.464 247 L HA 0.515 4.855 4.340 -0.000 0.000 0.266 247 L C -1.528 175.361 176.870 0.032 0.000 0.965 247 L CA -0.975 53.927 54.840 0.102 0.000 0.833 247 L CB 1.705 43.823 42.059 0.098 0.000 1.296 247 L HN 0.142 nan 8.230 nan 0.000 0.405 248 L N 5.763 127.008 121.223 0.037 0.000 2.309 248 L HA 0.652 4.992 4.340 -0.000 0.000 0.282 248 L C -1.096 175.779 176.870 0.007 0.000 1.036 248 L CA -0.161 54.676 54.840 -0.006 0.000 0.806 248 L CB 1.288 43.356 42.059 0.015 0.000 1.220 248 L HN 0.473 nan 8.230 nan 0.000 0.429 249 I N 7.097 127.651 120.570 -0.027 0.000 2.390 249 I HA 0.311 4.481 4.170 -0.000 0.000 0.283 249 I C -0.461 175.670 176.117 0.023 0.000 1.016 249 I CA -0.234 61.067 61.300 0.001 0.000 1.151 249 I CB 1.068 39.064 38.000 -0.007 0.000 1.293 249 I HN 0.539 nan 8.210 nan 0.000 0.458 250 I N 5.767 126.365 120.570 0.046 0.000 2.371 250 I HA 0.537 4.707 4.170 -0.000 0.000 0.282 250 I C 0.458 176.599 176.117 0.039 0.000 1.031 250 I CA -0.066 61.274 61.300 0.066 0.000 1.180 250 I CB 1.286 39.337 38.000 0.085 0.000 1.336 250 I HN 0.638 nan 8.210 nan 0.000 0.467 251 A N 4.290 127.137 122.820 0.046 0.000 2.344 251 A HA 0.450 4.770 4.320 -0.000 0.000 0.307 251 A C 1.032 178.642 177.584 0.042 0.000 1.151 251 A CA -0.539 51.520 52.037 0.037 0.000 0.842 251 A CB 1.059 20.083 19.000 0.040 0.000 1.350 251 A HN 0.727 nan 8.150 nan 0.000 0.459 252 E N -0.684 119.538 120.200 0.036 0.000 2.171 252 E HA -0.172 4.178 4.350 -0.000 0.000 0.197 252 E C -0.299 176.335 176.600 0.056 0.000 0.997 252 E CA 1.810 58.236 56.400 0.044 0.000 0.810 252 E CB 0.113 29.836 29.700 0.038 0.000 0.738 252 E HN 0.633 nan 8.360 nan 0.000 0.467 253 D N -2.355 118.078 120.400 0.056 0.000 2.783 253 D HA 0.127 4.767 4.640 -0.000 0.000 0.253 253 D C -1.998 174.342 176.300 0.067 0.000 1.206 253 D CA -0.508 53.531 54.000 0.064 0.000 0.740 253 D CB 1.678 42.513 40.800 0.059 0.000 1.313 253 D HN -0.132 nan 8.370 nan 0.000 0.427 254 V N 2.670 122.634 119.914 0.083 0.000 2.380 254 V HA 0.436 4.556 4.120 -0.000 0.000 0.286 254 V C 0.274 176.424 176.094 0.094 0.000 1.015 254 V CA -0.606 61.750 62.300 0.093 0.000 0.834 254 V CB 1.270 33.166 31.823 0.121 0.000 1.009 254 V HN 0.448 nan 8.190 nan 0.000 0.428 255 E N 2.519 122.763 120.200 0.073 0.000 2.790 255 E HA 0.457 4.807 4.350 -0.000 0.000 0.256 255 E C 1.447 178.082 176.600 0.059 0.000 1.246 255 E CA -0.036 56.401 56.400 0.062 0.000 1.041 255 E CB 0.729 30.457 29.700 0.046 0.000 1.272 255 E HN 0.623 nan 8.360 nan 0.000 0.603 256 G N 0.790 109.618 108.800 0.046 0.000 2.863 256 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.217 256 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.217 256 G C 1.256 176.175 174.900 0.032 0.000 1.315 256 G CA 1.113 46.236 45.100 0.037 0.000 0.796 256 G HN 0.544 nan 8.290 nan 0.000 0.669 257 E N 0.792 121.008 120.200 0.026 0.000 2.048 257 E HA -0.236 4.114 4.350 -0.000 0.000 0.202 257 E C 2.972 179.588 176.600 0.026 0.000 1.021 257 E CA 1.695 58.107 56.400 0.020 0.000 0.825 257 E CB -0.669 29.041 29.700 0.018 0.000 0.756 257 E HN 0.314 nan 8.360 nan 0.000 0.454 258 A N 1.153 123.995 122.820 0.037 0.000 1.835 258 A HA -0.201 4.119 4.320 -0.000 0.000 0.215 258 A C 2.306 179.929 177.584 0.064 0.000 1.199 258 A CA 1.713 53.779 52.037 0.048 0.000 0.615 258 A CB -1.037 17.995 19.000 0.054 0.000 0.838 258 A HN 0.324 nan 8.150 nan 0.000 0.444 259 L N -0.098 121.175 121.223 0.082 0.000 1.963 259 L HA -0.222 4.118 4.340 -0.000 0.000 0.220 259 L C 2.787 179.689 176.870 0.053 0.000 1.076 259 L CA 2.663 57.570 54.840 0.112 0.000 0.772 259 L CB -1.205 40.927 42.059 0.121 0.000 0.892 259 L HN 0.456 nan 8.230 nan 0.000 0.435 260 A N -1.756 121.075 122.820 0.019 0.000 1.894 260 A HA -0.362 3.958 4.320 -0.000 0.000 0.220 260 A C 2.298 179.855 177.584 -0.044 0.000 1.237 260 A CA 3.191 55.210 52.037 -0.029 0.000 0.660 260 A CB -1.544 17.443 19.000 -0.021 0.000 0.835 260 A HN 0.594 nan 8.150 nan 0.000 0.461 261 T N 0.077 114.624 114.554 -0.012 0.000 2.746 261 T HA -0.087 4.263 4.350 -0.000 0.000 0.267 261 T C 1.832 176.535 174.700 0.004 0.000 1.039 261 T CA 1.363 63.458 62.100 -0.010 0.000 1.142 261 T CB -0.386 68.485 68.868 0.005 0.000 0.866 261 T HN 0.359 nan 8.240 nan 0.000 0.444 262 L N 0.770 122.022 121.223 0.049 0.000 2.013 262 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 262 L C 2.636 179.545 176.870 0.065 0.000 1.073 262 L CA 1.174 56.082 54.840 0.113 0.000 0.753 262 L CB -0.588 41.612 42.059 0.235 0.000 0.890 262 L HN 0.174 nan 8.230 nan 0.000 0.432 263 V N -0.772 119.101 119.914 -0.069 0.000 2.332 263 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 263 V C 2.377 178.346 176.094 -0.208 0.000 1.055 263 V CA 1.671 63.805 62.300 -0.277 0.000 1.038 263 V CB -0.377 31.239 31.823 -0.346 0.000 0.651 263 V HN 0.252 nan 8.190 nan 0.000 0.450 264 V N 0.649 120.473 119.914 -0.150 0.000 2.407 264 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 264 V C 1.998 178.051 176.094 -0.069 0.000 1.055 264 V CA 2.323 64.548 62.300 -0.125 0.000 1.049 264 V CB -1.109 30.658 31.823 -0.094 0.000 0.662 264 V HN 0.644 nan 8.190 nan 0.000 0.455 265 N N 0.535 119.218 118.700 -0.029 0.000 2.207 265 N HA -0.135 4.605 4.740 -0.000 0.000 0.182 265 N C 2.003 177.527 175.510 0.023 0.000 1.020 265 N CA 1.611 54.664 53.050 0.004 0.000 0.858 265 N CB -0.195 38.308 38.487 0.028 0.000 0.991 265 N HN 0.668 nan 8.380 nan 0.000 0.427 266 T N -0.308 114.274 114.554 0.047 0.000 2.777 266 T HA -0.091 4.259 4.350 -0.000 0.000 0.266 266 T C 1.942 176.661 174.700 0.032 0.000 1.040 266 T CA 0.642 62.790 62.100 0.081 0.000 1.141 266 T CB -0.239 68.743 68.868 0.190 0.000 0.868 266 T HN -0.023 nan 8.240 nan 0.000 0.444 267 M N 1.496 121.081 119.600 -0.025 0.000 2.082 267 M HA -0.011 4.469 4.480 -0.000 0.000 0.258 267 M C 2.325 178.609 176.300 -0.025 0.000 1.071 267 M CA 1.693 56.964 55.300 -0.048 0.000 1.103 267 M CB -0.405 32.123 32.600 -0.119 0.000 1.307 267 M HN 0.058 nan 8.290 nan 0.000 0.409 268 R N -0.316 120.167 120.500 -0.028 0.000 2.369 268 R HA 0.078 4.418 4.340 -0.000 0.000 0.200 268 R C 0.752 177.050 176.300 -0.003 0.000 1.046 268 R CA 0.631 56.720 56.100 -0.019 0.000 1.057 268 R CB -0.716 29.570 30.300 -0.023 0.000 0.888 268 R HN 0.760 nan 8.270 nan 0.000 0.474 269 G N 0.916 109.721 108.800 0.008 0.000 2.176 269 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.252 269 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.252 269 G C 0.616 175.527 174.900 0.019 0.000 1.024 269 G CA 0.245 45.355 45.100 0.017 0.000 0.755 269 G HN 0.320 nan 8.290 nan 0.000 0.507 270 I N -1.120 119.462 120.570 0.020 0.000 2.185 270 I HA 0.098 4.268 4.170 -0.000 0.000 0.235 270 I C 1.046 177.181 176.117 0.030 0.000 1.069 270 I CA 1.262 62.574 61.300 0.020 0.000 1.354 270 I CB -0.160 37.850 38.000 0.016 0.000 1.093 270 I HN 0.080 nan 8.210 nan 0.000 0.411 271 V N 0.692 120.631 119.914 0.041 0.000 2.686 271 V HA 0.265 4.385 4.120 -0.000 0.000 0.306 271 V C -0.651 175.485 176.094 0.070 0.000 1.065 271 V CA -1.057 61.274 62.300 0.051 0.000 0.894 271 V CB 1.729 33.580 31.823 0.047 0.000 1.004 271 V HN 0.096 nan 8.190 nan 0.000 0.424 272 K N 2.891 123.333 120.400 0.071 0.000 2.363 272 K HA 0.562 4.882 4.320 -0.000 0.000 0.289 272 K C -0.691 175.960 176.600 0.084 0.000 1.063 272 K CA 0.292 56.627 56.287 0.081 0.000 0.967 272 K CB 0.628 33.168 32.500 0.066 0.000 0.987 272 K HN 0.532 nan 8.250 nan 0.000 0.473 273 V N 1.392 121.374 119.914 0.113 0.000 3.114 273 V HA 0.868 4.988 4.120 -0.000 0.000 0.308 273 V C -0.894 175.159 176.094 -0.069 0.000 1.168 273 V CA -1.111 61.224 62.300 0.059 0.000 1.015 273 V CB 2.138 34.018 31.823 0.096 0.000 1.050 273 V HN 0.753 nan 8.190 nan 0.000 0.433 274 A N 1.449 124.043 122.820 -0.377 0.000 2.587 274 A HA 1.062 5.382 4.320 -0.000 0.000 0.293 274 A C -0.898 176.208 177.584 -0.797 0.000 1.087 274 A CA -0.151 51.270 52.037 -1.027 0.000 0.692 274 A CB 2.049 20.753 19.000 -0.492 0.000 1.291 274 A HN 2.021 nan 8.150 nan 0.000 0.407 275 A N -0.059 122.186 122.820 -0.958 0.000 2.549 275 A HA 0.868 5.188 4.320 -0.000 0.000 0.297 275 A C -0.948 176.587 177.584 -0.081 0.000 1.061 275 A CA -0.061 51.795 52.037 -0.301 0.000 0.690 275 A CB 1.487 20.428 19.000 -0.098 0.000 1.287 275 A HN 2.320 nan 8.150 nan 0.000 0.402 276 V N -0.961 118.962 119.914 0.015 0.000 2.924 276 V HA 0.510 4.630 4.120 -0.000 0.000 0.300 276 V C -0.480 175.682 176.094 0.114 0.000 1.227 276 V CA -1.279 61.060 62.300 0.065 0.000 0.954 276 V CB 1.054 32.899 31.823 0.038 0.000 1.055 276 V HN 0.952 nan 8.190 nan 0.000 0.429 277 K N 1.843 122.313 120.400 0.117 0.000 2.344 277 K HA 0.554 4.874 4.320 -0.000 0.000 0.260 277 K C 0.681 177.385 176.600 0.175 0.000 0.988 277 K CA 0.541 56.902 56.287 0.124 0.000 0.909 277 K CB 0.577 33.139 32.500 0.102 0.000 0.968 277 K HN 1.160 nan 8.250 nan 0.000 0.505 278 A N 2.890 125.775 122.820 0.108 0.000 2.366 278 A HA 0.266 4.586 4.320 -0.000 0.000 0.249 278 A C -2.155 175.461 177.584 0.053 0.000 1.084 278 A CA -1.192 50.871 52.037 0.043 0.000 0.794 278 A CB -0.243 18.759 19.000 0.003 0.000 1.034 278 A HN 0.453 nan 8.150 nan 0.000 0.491 279 P HA 0.395 nan 4.420 nan 0.000 0.276 279 P C 0.684 177.998 177.300 0.023 0.000 1.230 279 P CA 1.409 64.489 63.100 -0.033 0.000 0.776 279 P CB 0.645 32.160 31.700 -0.307 0.000 0.888 280 G N 2.826 111.691 108.800 0.108 0.000 2.692 280 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.248 280 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.248 280 G C -0.554 174.506 174.900 0.268 0.000 1.340 280 G CA 0.228 45.437 45.100 0.182 0.000 0.896 280 G HN 0.689 nan 8.290 nan 0.000 0.570 281 F N -2.338 117.624 119.950 0.021 0.000 2.922 281 F HA 0.856 5.383 4.527 0.000 0.000 0.345 281 F C 1.331 177.141 175.800 0.017 0.000 1.209 281 F CA 0.236 58.247 58.000 0.018 0.000 1.018 281 F CB 0.536 39.549 39.000 0.023 0.000 1.472 281 F HN 2.393 nan 8.300 nan 0.000 0.521 282 G N 0.817 109.457 108.800 -0.268 0.000 2.611 282 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.301 282 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.301 282 G C 0.456 175.234 174.900 -0.203 0.000 1.233 282 G CA 0.762 45.646 45.100 -0.361 0.000 0.993 282 G HN 0.860 nan 8.290 nan 0.000 0.553 283 D N 0.998 121.270 120.400 -0.214 0.000 2.183 283 D HA -0.025 4.615 4.640 -0.000 0.000 0.205 283 D C 2.631 178.865 176.300 -0.110 0.000 0.962 283 D CA 1.262 55.187 54.000 -0.125 0.000 0.849 283 D CB -0.047 40.691 40.800 -0.103 0.000 0.978 283 D HN 0.625 nan 8.370 nan 0.000 0.488 284 R N 1.402 121.821 120.500 -0.135 0.000 2.120 284 R HA -0.032 4.308 4.340 -0.000 0.000 0.234 284 R C 2.297 178.544 176.300 -0.089 0.000 1.123 284 R CA 0.541 56.578 56.100 -0.105 0.000 0.975 284 R CB -0.468 29.768 30.300 -0.107 0.000 0.866 284 R HN 0.052 nan 8.270 nan 0.000 0.446 285 R N 2.111 122.561 120.500 -0.083 0.000 2.143 285 R HA -0.228 4.112 4.340 -0.000 0.000 0.239 285 R C 1.734 177.993 176.300 -0.068 0.000 1.126 285 R CA 2.417 58.481 56.100 -0.060 0.000 0.927 285 R CB -0.167 30.118 30.300 -0.023 0.000 0.860 285 R HN 0.278 nan 8.270 nan 0.000 0.433 286 K N -0.190 120.175 120.400 -0.057 0.000 2.032 286 K HA -0.128 4.192 4.320 -0.000 0.000 0.209 286 K C 2.222 178.788 176.600 -0.056 0.000 1.048 286 K CA 1.538 57.795 56.287 -0.050 0.000 0.927 286 K CB -0.257 32.219 32.500 -0.039 0.000 0.712 286 K HN 0.320 nan 8.250 nan 0.000 0.441 287 A N 1.412 124.196 122.820 -0.060 0.000 1.902 287 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 287 A C 2.140 179.682 177.584 -0.071 0.000 1.181 287 A CA 1.423 53.425 52.037 -0.060 0.000 0.623 287 A CB -0.413 18.552 19.000 -0.059 0.000 0.818 287 A HN 0.233 nan 8.150 nan 0.000 0.443 288 M N -1.084 118.463 119.600 -0.087 0.000 2.254 288 M HA 0.042 4.522 4.480 -0.000 0.000 0.265 288 M C 2.071 178.285 176.300 -0.142 0.000 1.066 288 M CA 1.007 56.240 55.300 -0.112 0.000 1.123 288 M CB -0.157 32.367 32.600 -0.126 0.000 1.388 288 M HN 0.482 nan 8.290 nan 0.000 0.425 289 L N 0.109 121.252 121.223 -0.132 0.000 2.131 289 L HA -0.258 4.082 4.340 -0.000 0.000 0.210 289 L C 2.442 179.259 176.870 -0.089 0.000 1.092 289 L CA 1.269 56.032 54.840 -0.129 0.000 0.759 289 L CB -0.257 41.746 42.059 -0.094 0.000 0.903 289 L HN 0.336 nan 8.230 nan 0.000 0.435 290 Q N 0.230 119.988 119.800 -0.070 0.000 2.084 290 Q HA -0.237 4.103 4.340 -0.000 0.000 0.202 290 Q C 1.629 177.598 176.000 -0.051 0.000 0.978 290 Q CA 2.008 57.780 55.803 -0.051 0.000 0.844 290 Q CB -0.204 28.508 28.738 -0.043 0.000 0.898 290 Q HN 0.432 nan 8.270 nan 0.000 0.426 291 D N -0.005 120.356 120.400 -0.064 0.000 2.106 291 D HA -0.198 4.442 4.640 -0.000 0.000 0.191 291 D C 1.909 178.177 176.300 -0.054 0.000 0.997 291 D CA 1.784 55.749 54.000 -0.059 0.000 0.834 291 D CB -0.362 40.394 40.800 -0.073 0.000 0.956 291 D HN 0.401 nan 8.370 nan 0.000 0.448 292 I N 1.143 121.666 120.570 -0.078 0.000 2.208 292 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 292 I C 2.516 178.617 176.117 -0.028 0.000 1.097 292 I CA 1.054 62.318 61.300 -0.060 0.000 1.363 292 I CB -0.345 37.590 38.000 -0.108 0.000 1.051 292 I HN -0.068 nan 8.210 nan 0.000 0.413 293 A N 0.961 123.763 122.820 -0.030 0.000 1.859 293 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 293 A C 2.428 180.008 177.584 -0.007 0.000 1.198 293 A CA 2.877 54.906 52.037 -0.012 0.000 0.629 293 A CB -1.351 17.640 19.000 -0.015 0.000 0.830 293 A HN 0.406 nan 8.150 nan 0.000 0.446 294 T N 0.475 115.020 114.554 -0.014 0.000 2.635 294 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 294 T C 1.818 176.514 174.700 -0.007 0.000 1.040 294 T CA 1.422 63.515 62.100 -0.011 0.000 1.156 294 T CB -0.416 68.442 68.868 -0.016 0.000 0.863 294 T HN 0.262 nan 8.240 nan 0.000 0.430 295 L N 1.685 122.903 121.223 -0.008 0.000 2.127 295 L HA -0.076 4.264 4.340 -0.000 0.000 0.211 295 L C 2.278 179.148 176.870 -0.000 0.000 1.089 295 L CA 2.268 57.106 54.840 -0.003 0.000 0.757 295 L CB -1.218 40.841 42.059 0.000 0.000 0.899 295 L HN 0.529 nan 8.230 nan 0.000 0.434 296 T N -4.699 109.856 114.554 0.003 0.000 3.085 296 T HA 0.280 4.630 4.350 -0.000 0.000 0.264 296 T C 1.121 175.827 174.700 0.009 0.000 1.019 296 T CA 0.310 62.413 62.100 0.004 0.000 0.910 296 T CB 0.090 68.965 68.868 0.012 0.000 1.059 296 T HN 0.450 nan 8.240 nan 0.000 0.542 297 G N 0.575 109.381 108.800 0.009 0.000 2.350 297 G HA2 0.104 4.064 3.960 -0.000 0.000 0.298 297 G HA3 0.104 4.064 3.960 -0.000 0.000 0.298 297 G C 0.298 175.215 174.900 0.028 0.000 1.037 297 G CA -0.134 44.974 45.100 0.014 0.000 1.074 297 G HN 1.066 nan 8.290 nan 0.000 0.511 298 G N -1.438 107.378 108.800 0.027 0.000 2.644 298 G HA2 0.812 4.772 3.960 -0.000 0.000 0.307 298 G HA3 0.812 4.772 3.960 -0.000 0.000 0.307 298 G C -0.492 174.420 174.900 0.020 0.000 1.250 298 G CA 0.003 45.124 45.100 0.036 0.000 0.996 298 G HN 0.630 nan 8.290 nan 0.000 0.489 299 T N 0.665 115.231 114.554 0.020 0.000 2.786 299 T HA 0.414 4.764 4.350 -0.000 0.000 0.283 299 T C 0.220 174.923 174.700 0.005 0.000 0.992 299 T CA -0.280 61.826 62.100 0.009 0.000 0.954 299 T CB 1.500 70.373 68.868 0.008 0.000 0.934 299 T HN 0.392 nan 8.240 nan 0.000 0.440 300 V N 4.763 124.675 119.914 -0.002 0.000 2.599 300 V HA 0.145 4.265 4.120 -0.000 0.000 0.300 300 V C 0.412 176.504 176.094 -0.004 0.000 1.034 300 V CA 0.092 62.388 62.300 -0.006 0.000 1.115 300 V CB -0.015 31.799 31.823 -0.014 0.000 0.934 300 V HN 0.781 nan 8.190 nan 0.000 0.485 301 I N 5.248 125.816 120.570 -0.002 0.000 2.412 301 I HA 0.292 4.462 4.170 -0.000 0.000 0.279 301 I C 0.214 176.330 176.117 -0.001 0.000 1.063 301 I CA 0.136 61.435 61.300 -0.001 0.000 1.193 301 I CB 0.890 38.891 38.000 0.001 0.000 1.370 301 I HN 0.749 nan 8.210 nan 0.000 0.479 302 S N 2.425 118.124 115.700 -0.002 0.000 2.503 302 S HA 0.405 4.875 4.470 -0.000 0.000 0.301 302 S C 0.441 175.040 174.600 -0.001 0.000 1.087 302 S CA -0.876 57.323 58.200 -0.002 0.000 1.042 302 S CB 1.823 65.020 63.200 -0.005 0.000 1.043 302 S HN 0.550 nan 8.310 nan 0.000 0.489 303 E N 0.940 121.141 120.200 0.001 0.000 2.516 303 E HA -0.078 4.272 4.350 -0.000 0.000 0.199 303 E C 0.994 177.594 176.600 0.000 0.000 1.069 303 E CA 0.515 56.916 56.400 0.002 0.000 0.876 303 E CB -0.063 29.639 29.700 0.004 0.000 0.843 303 E HN 0.756 nan 8.360 nan 0.000 0.530 304 E N 0.579 120.778 120.200 -0.001 0.000 2.076 304 E HA -0.058 4.292 4.350 -0.000 0.000 0.190 304 E C 1.474 178.072 176.600 -0.003 0.000 0.979 304 E CA 0.649 57.048 56.400 -0.003 0.000 0.807 304 E CB 0.104 29.801 29.700 -0.005 0.000 0.761 304 E HN 0.298 nan 8.360 nan 0.000 0.454 305 I N 0.725 121.293 120.570 -0.004 0.000 3.680 305 I HA 0.088 4.258 4.170 -0.000 0.000 0.306 305 I C 0.639 176.754 176.117 -0.003 0.000 1.260 305 I CA 0.006 61.303 61.300 -0.004 0.000 1.201 305 I CB -0.402 37.595 38.000 -0.005 0.000 1.009 305 I HN 0.073 nan 8.210 nan 0.000 0.467 306 G N 2.217 111.016 108.800 -0.002 0.000 2.392 306 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.290 306 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.290 306 G C -0.289 174.611 174.900 -0.001 0.000 1.032 306 G CA -0.049 45.050 45.100 -0.001 0.000 1.269 306 G HN 0.323 nan 8.290 nan 0.000 0.511 307 M N -0.119 119.481 119.600 -0.001 0.000 2.572 307 M HA 0.550 5.030 4.480 -0.000 0.000 0.299 307 M C -0.166 176.134 176.300 -0.000 0.000 1.205 307 M CA -0.697 54.602 55.300 -0.001 0.000 0.876 307 M CB 2.424 35.023 32.600 -0.002 0.000 1.728 307 M HN 0.333 nan 8.290 nan 0.000 0.458 308 E N 1.410 121.610 120.200 -0.001 0.000 2.266 308 E HA 0.363 4.713 4.350 -0.000 0.000 0.268 308 E C 0.231 176.830 176.600 -0.002 0.000 0.879 308 E CA -0.551 55.849 56.400 -0.000 0.000 0.762 308 E CB 2.591 32.290 29.700 -0.001 0.000 1.199 308 E HN 0.618 nan 8.360 nan 0.000 0.422 309 L N 1.537 122.760 121.223 0.000 0.000 2.013 309 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 309 L C 1.850 178.716 176.870 -0.006 0.000 1.073 309 L CA 1.553 56.392 54.840 -0.001 0.000 0.753 309 L CB -0.387 41.674 42.059 0.003 0.000 0.890 309 L HN 0.622 nan 8.230 nan 0.000 0.432 310 E N 0.385 120.582 120.200 -0.005 0.000 2.086 310 E HA -0.205 4.145 4.350 -0.000 0.000 0.200 310 E C 0.870 177.464 176.600 -0.011 0.000 1.012 310 E CA 1.297 57.692 56.400 -0.008 0.000 0.812 310 E CB -0.125 29.572 29.700 -0.005 0.000 0.743 310 E HN 0.333 nan 8.360 nan 0.000 0.453 311 K N 0.455 120.849 120.400 -0.009 0.000 2.502 311 K HA 0.410 4.730 4.320 -0.000 0.000 0.244 311 K C -1.035 175.557 176.600 -0.013 0.000 1.249 311 K CA -0.154 56.127 56.287 -0.011 0.000 1.193 311 K CB 0.686 33.181 32.500 -0.008 0.000 1.674 311 K HN 0.014 nan 8.250 nan 0.000 0.302 312 A N 1.457 124.266 122.820 -0.019 0.000 2.476 312 A HA 0.281 4.601 4.320 -0.000 0.000 0.280 312 A C 0.086 177.647 177.584 -0.039 0.000 1.081 312 A CA -0.838 51.185 52.037 -0.024 0.000 0.753 312 A CB 0.597 19.584 19.000 -0.021 0.000 1.248 312 A HN 0.413 nan 8.150 nan 0.000 0.424 313 T N 0.308 114.839 114.554 -0.039 0.000 2.754 313 T HA 0.430 4.780 4.350 -0.000 0.000 0.286 313 T C 1.443 176.092 174.700 -0.085 0.000 0.997 313 T CA -0.454 61.612 62.100 -0.057 0.000 0.982 313 T CB 0.311 69.155 68.868 -0.040 0.000 1.027 313 T HN 0.422 nan 8.240 nan 0.000 0.529 314 L N 0.023 121.166 121.223 -0.135 0.000 2.089 314 L HA -0.185 4.155 4.340 -0.000 0.000 0.213 314 L C 3.087 179.900 176.870 -0.095 0.000 1.079 314 L CA 1.919 56.619 54.840 -0.233 0.000 0.758 314 L CB -0.591 41.297 42.059 -0.284 0.000 0.891 314 L HN 0.885 nan 8.230 nan 0.000 0.433 315 E N -0.050 120.134 120.200 -0.027 0.000 2.118 315 E HA -0.264 4.086 4.350 -0.000 0.000 0.195 315 E C 1.607 178.229 176.600 0.037 0.000 0.992 315 E CA 1.522 57.939 56.400 0.027 0.000 0.804 315 E CB 0.074 29.783 29.700 0.015 0.000 0.741 315 E HN 0.518 nan 8.360 nan 0.000 0.458 316 D N 0.143 120.550 120.400 0.012 0.000 2.218 316 D HA -0.125 4.515 4.640 -0.000 0.000 0.204 316 D C 0.385 176.710 176.300 0.041 0.000 0.976 316 D CA 0.444 54.454 54.000 0.018 0.000 0.853 316 D CB -0.085 40.715 40.800 0.002 0.000 0.939 316 D HN 0.121 nan 8.370 nan 0.000 0.481 317 L N 1.186 122.445 121.223 0.059 0.000 2.453 317 L HA 0.202 4.542 4.340 -0.000 0.000 0.272 317 L C 1.451 178.423 176.870 0.171 0.000 1.182 317 L CA 0.145 55.058 54.840 0.122 0.000 0.858 317 L CB 0.584 42.739 42.059 0.160 0.000 1.120 317 L HN -0.132 nan 8.230 nan 0.000 0.474 318 G N 2.498 111.374 108.800 0.127 0.000 2.651 318 G HA2 0.397 4.357 3.960 -0.000 0.000 0.260 318 G HA3 0.397 4.357 3.960 -0.000 0.000 0.260 318 G C -0.735 174.223 174.900 0.097 0.000 1.216 318 G CA -0.214 44.941 45.100 0.092 0.000 0.913 318 G HN 0.631 nan 8.290 nan 0.000 0.535 319 Q N -1.636 118.169 119.800 0.009 0.000 2.435 319 Q HA 0.597 4.937 4.340 -0.000 0.000 0.282 319 Q C -0.922 175.032 176.000 -0.077 0.000 1.020 319 Q CA -0.688 55.057 55.803 -0.096 0.000 0.820 319 Q CB 2.069 30.673 28.738 -0.224 0.000 1.436 319 Q HN 0.997 nan 8.270 nan 0.000 0.395 320 A N 1.842 124.604 122.820 -0.097 0.000 2.552 320 A HA 0.519 4.839 4.320 -0.000 0.000 0.288 320 A C -0.681 176.855 177.584 -0.081 0.000 1.193 320 A CA -0.565 51.432 52.037 -0.065 0.000 0.713 320 A CB 1.464 20.447 19.000 -0.029 0.000 1.305 320 A HN 0.767 nan 8.150 nan 0.000 0.424 321 K N -0.767 119.601 120.400 -0.054 0.000 2.314 321 K HA 0.198 4.518 4.320 -0.000 0.000 0.198 321 K C 0.225 176.801 176.600 -0.040 0.000 1.045 321 K CA 0.817 57.074 56.287 -0.051 0.000 0.988 321 K CB 0.255 32.733 32.500 -0.037 0.000 0.783 321 K HN 0.495 nan 8.250 nan 0.000 0.484 322 R N -0.183 120.299 120.500 -0.030 0.000 2.664 322 R HA 0.176 4.516 4.340 -0.000 0.000 0.260 322 R C -1.854 174.438 176.300 -0.014 0.000 1.062 322 R CA -0.490 55.598 56.100 -0.020 0.000 0.902 322 R CB 2.128 32.419 30.300 -0.015 0.000 1.258 322 R HN -0.046 nan 8.270 nan 0.000 0.465 323 V N -0.095 119.813 119.914 -0.011 0.000 2.962 323 V HA 0.864 4.984 4.120 -0.000 0.000 0.313 323 V C -1.435 174.651 176.094 -0.013 0.000 1.099 323 V CA -0.527 61.767 62.300 -0.010 0.000 0.971 323 V CB 2.378 34.198 31.823 -0.005 0.000 1.028 323 V HN 0.419 nan 8.190 nan 0.000 0.430 324 V N 6.088 125.987 119.914 -0.025 0.000 2.524 324 V HA 0.567 4.687 4.120 -0.000 0.000 0.297 324 V C -0.368 175.699 176.094 -0.046 0.000 1.035 324 V CA -0.182 62.105 62.300 -0.023 0.000 0.867 324 V CB 1.389 33.199 31.823 -0.022 0.000 1.004 324 V HN 1.070 nan 8.190 nan 0.000 0.426 325 I N 2.935 123.497 120.570 -0.013 0.000 2.498 325 I HA 0.685 4.855 4.170 -0.000 0.000 0.290 325 I C -0.640 175.500 176.117 0.039 0.000 1.032 325 I CA -0.357 60.923 61.300 -0.032 0.000 1.073 325 I CB 2.081 40.062 38.000 -0.031 0.000 1.251 325 I HN 0.460 nan 8.210 nan 0.000 0.426 326 N N 5.408 124.068 118.700 -0.067 0.000 2.717 326 N HA 0.223 4.963 4.740 -0.000 0.000 0.314 326 N C 0.518 175.793 175.510 -0.391 0.000 1.324 326 N CA -0.748 52.264 53.050 -0.063 0.000 0.902 326 N CB 0.715 39.159 38.487 -0.071 0.000 1.126 326 N HN 0.665 nan 8.380 nan 0.000 0.579 327 K N 0.268 120.455 120.400 -0.354 0.000 2.152 327 K HA -0.171 4.149 4.320 -0.000 0.000 0.206 327 K C -0.508 175.823 176.600 -0.447 0.000 1.048 327 K CA 2.008 57.973 56.287 -0.537 0.000 0.933 327 K CB -0.065 32.338 32.500 -0.163 0.000 0.721 327 K HN 0.571 nan 8.250 nan 0.000 0.447 328 D N -1.194 119.034 120.400 -0.286 0.000 2.822 328 D HA 0.109 4.749 4.640 -0.000 0.000 0.327 328 D C -1.120 175.067 176.300 -0.188 0.000 1.577 328 D CA -0.405 53.469 54.000 -0.209 0.000 0.785 328 D CB 1.160 41.882 40.800 -0.130 0.000 1.199 328 D HN -0.162 nan 8.370 nan 0.000 0.443 329 T N 0.263 114.678 114.554 -0.232 0.000 3.355 329 T HA 0.326 4.676 4.350 -0.000 0.000 0.324 329 T C -0.682 173.828 174.700 -0.316 0.000 0.932 329 T CA -0.422 61.529 62.100 -0.248 0.000 1.032 329 T CB 1.519 70.290 68.868 -0.162 0.000 1.027 329 T HN -0.091 nan 8.240 nan 0.000 0.456 330 T N 2.800 117.026 114.554 -0.547 0.000 2.889 330 T HA 0.652 5.002 4.350 -0.000 0.000 0.291 330 T C 0.158 174.539 174.700 -0.531 0.000 0.995 330 T CA -0.346 61.397 62.100 -0.595 0.000 1.092 330 T CB 1.328 69.683 68.868 -0.856 0.000 0.954 330 T HN 0.579 nan 8.240 nan 0.000 0.506 331 T N 2.716 117.121 114.554 -0.248 0.000 3.071 331 T HA 0.575 4.925 4.350 -0.000 0.000 0.311 331 T C -1.042 173.646 174.700 -0.020 0.000 1.042 331 T CA -0.682 61.358 62.100 -0.101 0.000 1.028 331 T CB 0.288 69.112 68.868 -0.072 0.000 1.068 331 T HN 0.438 nan 8.240 nan 0.000 0.451 332 I N 5.596 126.193 120.570 0.045 0.000 2.336 332 I HA 0.469 4.639 4.170 -0.000 0.000 0.292 332 I C -0.131 176.001 176.117 0.026 0.000 0.991 332 I CA -0.753 60.574 61.300 0.046 0.000 1.227 332 I CB 1.427 39.478 38.000 0.085 0.000 1.366 332 I HN 0.571 nan 8.210 nan 0.000 0.466 333 I N 5.922 126.498 120.570 0.009 0.000 2.312 333 I HA 0.204 4.374 4.170 -0.000 0.000 0.290 333 I C -0.544 175.571 176.117 -0.004 0.000 1.008 333 I CA -0.249 61.051 61.300 0.001 0.000 1.226 333 I CB 0.845 38.841 38.000 -0.005 0.000 1.371 333 I HN 0.602 nan 8.210 nan 0.000 0.468 334 D N 4.854 125.252 120.400 -0.002 0.000 4.201 334 D HA -0.113 4.527 4.640 -0.000 0.000 0.238 334 D C 0.106 176.398 176.300 -0.013 0.000 1.070 334 D CA 0.981 54.976 54.000 -0.008 0.000 1.208 334 D CB 0.009 40.802 40.800 -0.013 0.000 0.825 334 D HN 0.766 nan 8.370 nan 0.000 0.404 335 G N 1.092 109.888 108.800 -0.008 0.000 2.448 335 G HA2 0.408 4.368 3.960 -0.000 0.000 0.285 335 G HA3 0.408 4.368 3.960 -0.000 0.000 0.285 335 G C 1.355 176.245 174.900 -0.017 0.000 1.176 335 G CA -0.505 44.588 45.100 -0.011 0.000 0.852 335 G HN 0.376 nan 8.290 nan 0.000 0.530 336 V N 1.799 121.699 119.914 -0.023 0.000 2.759 336 V HA 0.001 4.121 4.120 -0.000 0.000 0.256 336 V C 2.184 178.271 176.094 -0.012 0.000 1.080 336 V CA 1.166 63.452 62.300 -0.023 0.000 1.101 336 V CB -1.022 30.781 31.823 -0.033 0.000 0.698 336 V HN 0.829 nan 8.190 nan 0.000 0.477 337 G N 1.239 110.035 108.800 -0.007 0.000 2.178 337 G HA2 0.004 3.964 3.960 -0.000 0.000 0.244 337 G HA3 0.004 3.964 3.960 -0.000 0.000 0.244 337 G C -0.057 174.840 174.900 -0.005 0.000 1.213 337 G CA -0.145 44.953 45.100 -0.003 0.000 0.912 337 G HN 0.570 nan 8.290 nan 0.000 0.474 338 E N 2.049 122.247 120.200 -0.003 0.000 2.392 338 E HA 0.026 4.376 4.350 -0.000 0.000 0.264 338 E C 0.812 177.410 176.600 -0.004 0.000 1.024 338 E CA 0.056 56.454 56.400 -0.004 0.000 0.903 338 E CB 1.151 30.850 29.700 -0.002 0.000 0.963 338 E HN 0.687 nan 8.360 nan 0.000 0.432 339 E N 1.695 121.892 120.200 -0.004 0.000 2.409 339 E HA -0.182 4.168 4.350 -0.000 0.000 0.198 339 E C 1.629 178.226 176.600 -0.004 0.000 1.024 339 E CA 0.597 56.994 56.400 -0.005 0.000 0.861 339 E CB -0.011 29.687 29.700 -0.005 0.000 0.788 339 E HN 0.584 nan 8.360 nan 0.000 0.521 340 A N 1.716 124.534 122.820 -0.004 0.000 1.858 340 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 340 A C 2.415 179.996 177.584 -0.004 0.000 1.190 340 A CA 1.800 53.835 52.037 -0.004 0.000 0.617 340 A CB -0.659 18.339 19.000 -0.003 0.000 0.827 340 A HN 0.325 nan 8.150 nan 0.000 0.443 341 A N -0.562 122.256 122.820 -0.004 0.000 1.970 341 A HA 0.083 4.403 4.320 -0.000 0.000 0.216 341 A C 2.113 179.693 177.584 -0.007 0.000 1.170 341 A CA 1.176 53.210 52.037 -0.005 0.000 0.645 341 A CB -0.521 18.477 19.000 -0.004 0.000 0.816 341 A HN 0.486 nan 8.150 nan 0.000 0.447 342 I N -0.835 119.731 120.570 -0.006 0.000 2.113 342 I HA -0.285 3.885 4.170 -0.000 0.000 0.238 342 I C 2.765 178.877 176.117 -0.008 0.000 1.070 342 I CA 1.811 63.107 61.300 -0.008 0.000 1.332 342 I CB -0.339 37.657 38.000 -0.006 0.000 1.044 342 I HN 0.321 nan 8.210 nan 0.000 0.402 343 Q N 1.242 121.037 119.800 -0.007 0.000 2.135 343 Q HA -0.151 4.189 4.340 -0.000 0.000 0.204 343 Q C 2.008 178.004 176.000 -0.008 0.000 0.981 343 Q CA 2.113 57.912 55.803 -0.007 0.000 0.856 343 Q CB -0.829 27.905 28.738 -0.006 0.000 0.902 343 Q HN 0.532 nan 8.270 nan 0.000 0.425 344 G N -0.095 108.700 108.800 -0.008 0.000 2.453 344 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.215 344 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.215 344 G C 1.514 176.408 174.900 -0.011 0.000 1.201 344 G CA 0.882 45.977 45.100 -0.008 0.000 0.784 344 G HN 0.374 nan 8.290 nan 0.000 0.545 345 R N 0.307 120.800 120.500 -0.012 0.000 2.159 345 R HA -0.021 4.319 4.340 -0.000 0.000 0.237 345 R C 2.410 178.700 176.300 -0.017 0.000 1.131 345 R CA 1.482 57.573 56.100 -0.015 0.000 0.982 345 R CB -0.828 29.462 30.300 -0.017 0.000 0.868 345 R HN 0.260 nan 8.270 nan 0.000 0.453 346 V N 0.312 120.217 119.914 -0.015 0.000 2.453 346 V HA -0.071 4.049 4.120 -0.000 0.000 0.247 346 V C 2.195 178.281 176.094 -0.014 0.000 1.048 346 V CA 1.668 63.959 62.300 -0.015 0.000 1.049 346 V CB -0.682 31.134 31.823 -0.013 0.000 0.672 346 V HN 0.508 nan 8.190 nan 0.000 0.457 347 A N -1.072 121.741 122.820 -0.012 0.000 2.168 347 A HA -0.168 4.152 4.320 -0.000 0.000 0.215 347 A C 2.134 179.711 177.584 -0.012 0.000 1.152 347 A CA 1.211 53.242 52.037 -0.011 0.000 0.716 347 A CB -0.258 18.737 19.000 -0.009 0.000 0.794 347 A HN 0.638 nan 8.150 nan 0.000 0.465 348 Q N -0.621 119.170 119.800 -0.014 0.000 2.107 348 Q HA 0.125 4.465 4.340 -0.000 0.000 0.195 348 Q C 1.623 177.612 176.000 -0.018 0.000 0.964 348 Q CA 1.032 56.826 55.803 -0.015 0.000 0.833 348 Q CB -0.144 28.584 28.738 -0.016 0.000 0.910 348 Q HN 0.711 nan 8.270 nan 0.000 0.465 349 I N 0.790 121.347 120.570 -0.021 0.000 3.176 349 I HA -0.159 4.011 4.170 -0.000 0.000 0.275 349 I C 2.238 178.342 176.117 -0.022 0.000 1.298 349 I CA 0.380 61.665 61.300 -0.025 0.000 1.445 349 I CB -0.128 37.854 38.000 -0.030 0.000 1.075 349 I HN 0.090 nan 8.210 nan 0.000 0.482 350 R N 1.630 122.120 120.500 -0.018 0.000 2.073 350 R HA -0.183 4.157 4.340 -0.000 0.000 0.234 350 R C 1.998 178.290 176.300 -0.014 0.000 1.134 350 R CA 1.742 57.833 56.100 -0.015 0.000 0.952 350 R CB -0.098 30.195 30.300 -0.012 0.000 0.850 350 R HN 0.396 nan 8.270 nan 0.000 0.433 351 Q N -0.644 119.148 119.800 -0.013 0.000 2.392 351 Q HA 0.043 4.383 4.340 -0.000 0.000 0.203 351 Q C 1.678 177.670 176.000 -0.014 0.000 0.917 351 Q CA 0.136 55.932 55.803 -0.011 0.000 0.939 351 Q CB 0.553 29.286 28.738 -0.010 0.000 1.063 351 Q HN 0.356 nan 8.270 nan 0.000 0.516 352 Q N 0.505 120.294 119.800 -0.018 0.000 2.084 352 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 352 Q C 1.995 177.982 176.000 -0.021 0.000 0.978 352 Q CA 1.224 57.014 55.803 -0.022 0.000 0.844 352 Q CB -0.035 28.685 28.738 -0.029 0.000 0.898 352 Q HN 0.513 nan 8.270 nan 0.000 0.426 353 I N 0.949 121.506 120.570 -0.021 0.000 2.353 353 I HA -0.192 3.978 4.170 -0.000 0.000 0.248 353 I C 2.089 178.199 176.117 -0.010 0.000 1.119 353 I CA 0.706 61.995 61.300 -0.019 0.000 1.417 353 I CB -0.318 37.670 38.000 -0.020 0.000 1.078 353 I HN 0.029 nan 8.210 nan 0.000 0.421 354 E N 1.638 121.833 120.200 -0.008 0.000 2.085 354 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 354 E C 1.412 178.010 176.600 -0.002 0.000 0.994 354 E CA 1.417 57.815 56.400 -0.004 0.000 0.801 354 E CB -0.308 29.389 29.700 -0.004 0.000 0.743 354 E HN 0.658 nan 8.360 nan 0.000 0.453 355 E N 0.148 120.345 120.200 -0.004 0.000 2.501 355 E HA 0.311 4.661 4.350 -0.000 0.000 0.200 355 E C -0.097 176.501 176.600 -0.003 0.000 1.016 355 E CA -0.076 56.322 56.400 -0.003 0.000 0.921 355 E CB 0.807 30.505 29.700 -0.004 0.000 1.034 355 E HN 0.039 nan 8.360 nan 0.000 0.468 356 A N 1.846 124.663 122.820 -0.005 0.000 2.545 356 A HA 0.088 4.408 4.320 -0.000 0.000 0.297 356 A C 1.306 178.893 177.584 0.006 0.000 1.340 356 A CA -0.252 51.782 52.037 -0.004 0.000 1.016 356 A CB -0.532 18.460 19.000 -0.013 0.000 1.122 356 A HN 0.251 nan 8.150 nan 0.000 0.537 357 T N -0.254 114.307 114.554 0.010 0.000 3.160 357 T HA 0.134 4.484 4.350 -0.000 0.000 0.257 357 T C 0.837 175.551 174.700 0.023 0.000 1.147 357 T CA 0.831 62.940 62.100 0.015 0.000 1.064 357 T CB -0.163 68.713 68.868 0.013 0.000 0.949 357 T HN 0.408 nan 8.240 nan 0.000 0.526 358 S N -0.558 115.159 115.700 0.029 0.000 2.759 358 S HA 0.416 4.886 4.470 -0.000 0.000 0.310 358 S C 0.248 174.877 174.600 0.048 0.000 1.123 358 S CA -0.753 57.475 58.200 0.047 0.000 0.959 358 S CB 1.741 64.984 63.200 0.071 0.000 1.172 358 S HN 0.149 nan 8.310 nan 0.000 0.539 359 D N -0.199 120.243 120.400 0.071 0.000 2.323 359 D HA 0.046 4.686 4.640 -0.000 0.000 0.218 359 D C 1.230 177.587 176.300 0.094 0.000 0.973 359 D CA 0.747 54.790 54.000 0.071 0.000 0.890 359 D CB -0.058 40.785 40.800 0.072 0.000 1.011 359 D HN 0.596 nan 8.370 nan 0.000 0.499 360 Y N 1.872 122.177 120.300 0.008 0.000 2.337 360 Y HA -0.080 4.470 4.550 -0.000 0.000 0.293 360 Y C 0.979 176.880 175.900 0.001 0.000 1.123 360 Y CA 1.349 59.454 58.100 0.008 0.000 1.201 360 Y CB 0.039 38.506 38.460 0.010 0.000 1.011 360 Y HN -0.202 nan 8.280 nan 0.000 0.545 361 D N -0.244 120.143 120.400 -0.022 0.000 2.392 361 D HA -0.046 4.594 4.640 -0.000 0.000 0.228 361 D C 1.893 178.125 176.300 -0.114 0.000 1.003 361 D CA 0.527 54.471 54.000 -0.094 0.000 0.917 361 D CB 0.004 40.811 40.800 0.011 0.000 0.890 361 D HN 0.333 nan 8.370 nan 0.000 0.532 362 R N 0.126 120.563 120.500 -0.105 0.000 2.191 362 R HA 0.005 4.345 4.340 -0.000 0.000 0.196 362 R C 1.481 177.724 176.300 -0.095 0.000 0.991 362 R CA 0.230 56.288 56.100 -0.071 0.000 1.075 362 R CB 0.405 30.689 30.300 -0.027 0.000 1.040 362 R HN -0.008 nan 8.270 nan 0.000 0.526 363 E N 1.532 121.654 120.200 -0.130 0.000 2.038 363 E HA -0.211 4.139 4.350 -0.000 0.000 0.195 363 E C 1.661 178.178 176.600 -0.139 0.000 1.000 363 E CA 1.119 57.447 56.400 -0.121 0.000 0.803 363 E CB -0.134 29.488 29.700 -0.129 0.000 0.750 363 E HN 0.198 nan 8.360 nan 0.000 0.448 364 K N 0.958 121.226 120.400 -0.221 0.000 2.063 364 K HA -0.078 4.242 4.320 -0.000 0.000 0.208 364 K C 2.536 179.065 176.600 -0.118 0.000 1.048 364 K CA 0.770 56.948 56.287 -0.182 0.000 0.928 364 K CB -0.687 31.663 32.500 -0.249 0.000 0.713 364 K HN 0.192 nan 8.250 nan 0.000 0.442 365 L N 1.189 122.344 121.223 -0.112 0.000 2.017 365 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 365 L C 2.688 179.523 176.870 -0.059 0.000 1.073 365 L CA 1.399 56.193 54.840 -0.077 0.000 0.745 365 L CB -0.553 41.466 42.059 -0.067 0.000 0.894 365 L HN 0.230 nan 8.230 nan 0.000 0.432 366 Q N -0.271 119.494 119.800 -0.057 0.000 2.124 366 Q HA -0.227 4.113 4.340 -0.000 0.000 0.202 366 Q C 2.120 178.097 176.000 -0.039 0.000 0.977 366 Q CA 1.425 57.203 55.803 -0.043 0.000 0.850 366 Q CB -0.092 28.623 28.738 -0.040 0.000 0.901 366 Q HN 0.518 nan 8.270 nan 0.000 0.429 367 E N 0.612 120.785 120.200 -0.046 0.000 2.017 367 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 367 E C 2.080 178.663 176.600 -0.027 0.000 0.997 367 E CA 0.961 57.341 56.400 -0.033 0.000 0.804 367 E CB -0.018 29.660 29.700 -0.036 0.000 0.757 367 E HN 0.250 nan 8.360 nan 0.000 0.448 368 R N 0.394 120.871 120.500 -0.038 0.000 2.103 368 R HA -0.169 4.171 4.340 -0.000 0.000 0.242 368 R C 2.696 178.979 176.300 -0.027 0.000 1.142 368 R CA 1.621 57.700 56.100 -0.035 0.000 0.960 368 R CB -0.798 29.473 30.300 -0.049 0.000 0.858 368 R HN 0.246 nan 8.270 nan 0.000 0.439 369 V N -1.220 118.677 119.914 -0.029 0.000 2.392 369 V HA -0.205 3.915 4.120 -0.000 0.000 0.249 369 V C 2.180 178.264 176.094 -0.016 0.000 1.059 369 V CA 2.016 64.303 62.300 -0.023 0.000 1.051 369 V CB -0.886 30.923 31.823 -0.023 0.000 0.658 369 V HN 0.299 nan 8.190 nan 0.000 0.455 370 A N 0.173 122.984 122.820 -0.015 0.000 1.929 370 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 370 A C 2.289 179.871 177.584 -0.003 0.000 1.176 370 A CA 1.654 53.685 52.037 -0.010 0.000 0.628 370 A CB -0.517 18.477 19.000 -0.010 0.000 0.816 370 A HN 0.605 nan 8.150 nan 0.000 0.444 371 K N -0.689 119.711 120.400 0.000 0.000 2.288 371 K HA 0.100 4.420 4.320 -0.000 0.000 0.201 371 K C 1.330 177.935 176.600 0.008 0.000 1.048 371 K CA 0.832 57.126 56.287 0.012 0.000 0.956 371 K CB -0.133 32.380 32.500 0.020 0.000 0.746 371 K HN 0.462 nan 8.250 nan 0.000 0.461 372 L N -1.137 120.084 121.223 -0.003 0.000 2.470 372 L HA 0.145 4.485 4.340 -0.000 0.000 0.219 372 L C 1.865 178.732 176.870 -0.005 0.000 1.071 372 L CA 0.223 55.060 54.840 -0.006 0.000 0.850 372 L CB 0.099 42.150 42.059 -0.013 0.000 1.040 372 L HN 0.060 nan 8.230 nan 0.000 0.475 373 A N 0.000 122.817 122.820 -0.006 0.000 2.265 373 A HA 0.518 4.838 4.320 -0.000 0.000 0.226 373 A C 1.540 179.122 177.584 -0.004 0.000 1.937 373 A CA 0.687 52.720 52.037 -0.006 0.000 0.771 373 A CB -1.202 17.794 19.000 -0.008 0.000 1.421 373 A HN 0.215 nan 8.150 nan 0.000 0.570 374 G N -1.077 107.720 108.800 -0.005 0.000 2.873 374 G HA2 0.456 4.416 3.960 -0.000 0.000 0.170 374 G HA3 0.456 4.416 3.960 -0.000 0.000 0.170 374 G C 0.395 175.293 174.900 -0.002 0.000 1.608 374 G CA 0.228 45.325 45.100 -0.004 0.000 1.084 374 G HN 1.093 nan 8.290 nan 0.000 0.563 375 G N -2.366 106.433 108.800 -0.003 0.000 2.714 375 G HA2 0.522 4.482 3.960 -0.000 0.000 0.292 375 G HA3 0.522 4.482 3.960 -0.000 0.000 0.292 375 G C -1.657 173.241 174.900 -0.002 0.000 1.308 375 G CA -0.376 44.724 45.100 -0.001 0.000 0.964 375 G HN 0.619 nan 8.290 nan 0.000 0.484 376 V N 0.200 120.114 119.914 0.000 0.000 2.459 376 V HA 0.741 4.861 4.120 -0.000 0.000 0.295 376 V C 0.329 176.421 176.094 -0.004 0.000 1.029 376 V CA -0.552 61.747 62.300 -0.001 0.000 0.874 376 V CB 1.110 32.936 31.823 0.004 0.000 0.985 376 V HN 1.126 nan 8.190 nan 0.000 0.438 377 A N 4.322 127.138 122.820 -0.007 0.000 2.365 377 A HA 0.907 5.227 4.320 -0.000 0.000 0.318 377 A C -1.048 176.531 177.584 -0.008 0.000 1.091 377 A CA -0.595 51.437 52.037 -0.007 0.000 0.763 377 A CB 1.901 20.895 19.000 -0.009 0.000 1.248 377 A HN 0.633 nan 8.150 nan 0.000 0.442 378 V N 3.056 122.967 119.914 -0.006 0.000 2.540 378 V HA 0.395 4.515 4.120 -0.000 0.000 0.302 378 V C -0.406 175.686 176.094 -0.004 0.000 1.035 378 V CA -0.245 62.052 62.300 -0.005 0.000 0.873 378 V CB 1.557 33.378 31.823 -0.003 0.000 0.992 378 V HN 0.791 nan 8.190 nan 0.000 0.428 379 I N 4.665 125.233 120.570 -0.004 0.000 2.385 379 I HA 0.401 4.571 4.170 -0.000 0.000 0.294 379 I C 0.012 176.130 176.117 0.001 0.000 0.988 379 I CA -0.409 60.890 61.300 -0.001 0.000 1.265 379 I CB 1.365 39.364 38.000 -0.001 0.000 1.388 379 I HN 0.516 nan 8.210 nan 0.000 0.480 380 K N 5.943 126.344 120.400 0.002 0.000 2.293 380 K HA 0.446 4.766 4.320 -0.000 0.000 0.267 380 K C -1.047 175.556 176.600 0.004 0.000 1.010 380 K CA -0.680 55.609 56.287 0.003 0.000 0.875 380 K CB 1.703 34.204 32.500 0.002 0.000 1.106 380 K HN 0.282 nan 8.250 nan 0.000 0.450 381 V N 2.161 122.079 119.914 0.006 0.000 2.555 381 V HA 0.252 4.372 4.120 -0.000 0.000 0.286 381 V C 0.897 176.994 176.094 0.006 0.000 1.044 381 V CA -0.701 61.603 62.300 0.007 0.000 1.026 381 V CB 0.897 32.726 31.823 0.010 0.000 0.981 381 V HN 0.880 nan 8.190 nan 0.000 0.480 382 G N 2.755 111.558 108.800 0.005 0.000 2.389 382 G HA2 0.751 4.711 3.960 -0.000 0.000 0.317 382 G HA3 0.751 4.711 3.960 -0.000 0.000 0.317 382 G C -0.524 174.379 174.900 0.004 0.000 1.137 382 G CA -0.031 45.071 45.100 0.004 0.000 0.870 382 G HN 1.325 nan 8.290 nan 0.000 0.496 383 A N 0.190 123.013 122.820 0.004 0.000 2.594 383 A HA 0.747 5.067 4.320 -0.000 0.000 0.296 383 A C 0.696 178.282 177.584 0.003 0.000 1.061 383 A CA 0.307 52.346 52.037 0.004 0.000 0.689 383 A CB 0.921 19.924 19.000 0.005 0.000 1.280 383 A HN 1.757 nan 8.150 nan 0.000 0.406 384 A N 0.750 123.572 122.820 0.003 0.000 1.873 384 A HA 0.317 4.637 4.320 -0.000 0.000 0.215 384 A C 1.431 179.017 177.584 0.003 0.000 1.186 384 A CA 2.506 54.544 52.037 0.002 0.000 0.616 384 A CB -0.764 18.237 19.000 0.001 0.000 0.823 384 A HN 1.796 nan 8.150 nan 0.000 0.442 385 T N -4.446 110.111 114.554 0.003 0.000 2.870 385 T HA 0.528 4.878 4.350 -0.000 0.000 0.277 385 T C 0.578 175.281 174.700 0.006 0.000 1.000 385 T CA -0.092 62.010 62.100 0.004 0.000 0.982 385 T CB 1.688 70.558 68.868 0.003 0.000 1.249 385 T HN 0.211 nan 8.240 nan 0.000 0.589 386 E N -0.432 119.773 120.200 0.007 0.000 2.166 386 E HA 0.003 4.353 4.350 -0.000 0.000 0.192 386 E C 2.199 178.805 176.600 0.010 0.000 0.967 386 E CA 0.470 56.876 56.400 0.010 0.000 0.840 386 E CB -0.026 29.682 29.700 0.013 0.000 0.795 386 E HN 0.539 nan 8.360 nan 0.000 0.470 387 V N 0.778 120.696 119.914 0.007 0.000 2.453 387 V HA -0.247 3.873 4.120 -0.000 0.000 0.252 387 V C 2.122 178.218 176.094 0.004 0.000 1.068 387 V CA 1.915 64.217 62.300 0.004 0.000 1.070 387 V CB -0.572 31.251 31.823 -0.001 0.000 0.664 387 V HN 0.216 nan 8.190 nan 0.000 0.461 388 E N -0.426 119.777 120.200 0.005 0.000 2.102 388 E HA -0.111 4.239 4.350 -0.000 0.000 0.190 388 E C 2.099 178.703 176.600 0.007 0.000 0.971 388 E CA 1.003 57.406 56.400 0.005 0.000 0.821 388 E CB -0.023 29.680 29.700 0.003 0.000 0.777 388 E HN 0.516 nan 8.360 nan 0.000 0.460 389 M N 1.579 121.184 119.600 0.009 0.000 2.065 389 M HA -0.181 4.299 4.480 -0.000 0.000 0.259 389 M C 1.901 178.209 176.300 0.014 0.000 1.069 389 M CA 1.706 57.012 55.300 0.011 0.000 1.110 389 M CB -0.118 32.489 32.600 0.012 0.000 1.328 389 M HN -0.138 nan 8.290 nan 0.000 0.405 390 K N -0.311 120.098 120.400 0.015 0.000 2.015 390 K HA -0.286 4.034 4.320 -0.000 0.000 0.216 390 K C 2.009 178.618 176.600 0.016 0.000 1.052 390 K CA 2.324 58.622 56.287 0.018 0.000 0.937 390 K CB -0.468 32.043 32.500 0.019 0.000 0.719 390 K HN 0.562 nan 8.250 nan 0.000 0.446 391 E N 1.386 121.593 120.200 0.011 0.000 2.047 391 E HA -0.217 4.133 4.350 -0.000 0.000 0.191 391 E C 1.923 178.530 176.600 0.011 0.000 0.987 391 E CA 1.745 58.151 56.400 0.009 0.000 0.799 391 E CB -0.106 29.597 29.700 0.005 0.000 0.752 391 E HN 0.090 nan 8.360 nan 0.000 0.449 392 K N 1.001 121.407 120.400 0.010 0.000 2.009 392 K HA -0.176 4.144 4.320 -0.000 0.000 0.210 392 K C 2.209 178.819 176.600 0.016 0.000 1.049 392 K CA 2.024 58.318 56.287 0.011 0.000 0.929 392 K CB -0.271 32.234 32.500 0.009 0.000 0.714 392 K HN 0.124 nan 8.250 nan 0.000 0.440 393 K N -0.322 120.088 120.400 0.018 0.000 2.032 393 K HA -0.165 4.155 4.320 -0.000 0.000 0.209 393 K C 1.999 178.616 176.600 0.029 0.000 1.048 393 K CA 1.454 57.754 56.287 0.022 0.000 0.927 393 K CB -0.367 32.146 32.500 0.022 0.000 0.712 393 K HN 0.263 nan 8.250 nan 0.000 0.441 394 A N 1.492 124.329 122.820 0.029 0.000 1.892 394 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 394 A C 2.134 179.740 177.584 0.036 0.000 1.188 394 A CA 1.815 53.872 52.037 0.033 0.000 0.631 394 A CB -0.580 18.434 19.000 0.023 0.000 0.822 394 A HN 0.353 nan 8.150 nan 0.000 0.447 395 R N -0.789 119.727 120.500 0.027 0.000 2.070 395 R HA -0.110 4.230 4.340 -0.000 0.000 0.233 395 R C 2.108 178.430 176.300 0.037 0.000 1.137 395 R CA 1.643 57.759 56.100 0.027 0.000 0.945 395 R CB -0.779 29.532 30.300 0.017 0.000 0.845 395 R HN 0.404 nan 8.270 nan 0.000 0.430 396 V N 1.625 121.558 119.914 0.031 0.000 2.277 396 V HA -0.313 3.807 4.120 -0.000 0.000 0.253 396 V C 2.301 178.424 176.094 0.049 0.000 1.067 396 V CA 1.929 64.248 62.300 0.032 0.000 1.047 396 V CB -0.587 31.249 31.823 0.022 0.000 0.649 396 V HN 0.357 nan 8.190 nan 0.000 0.447 397 E N 0.002 120.242 120.200 0.066 0.000 2.049 397 E HA -0.310 4.040 4.350 -0.000 0.000 0.198 397 E C 2.052 178.786 176.600 0.223 0.000 1.007 397 E CA 2.077 58.547 56.400 0.116 0.000 0.809 397 E CB -0.447 29.324 29.700 0.119 0.000 0.749 397 E HN 0.721 nan 8.360 nan 0.000 0.450 398 D N -0.201 120.293 120.400 0.158 0.000 2.116 398 D HA -0.171 4.469 4.640 -0.000 0.000 0.193 398 D C 1.781 178.166 176.300 0.141 0.000 0.998 398 D CA 2.011 56.088 54.000 0.128 0.000 0.836 398 D CB -0.035 40.798 40.800 0.054 0.000 0.951 398 D HN 0.204 nan 8.370 nan 0.000 0.449 399 A N -0.010 122.865 122.820 0.092 0.000 1.930 399 A HA -0.022 4.298 4.320 -0.000 0.000 0.215 399 A C 2.103 179.724 177.584 0.061 0.000 1.176 399 A CA 0.355 52.431 52.037 0.066 0.000 0.632 399 A CB -0.592 18.431 19.000 0.038 0.000 0.819 399 A HN 0.327 nan 8.150 nan 0.000 0.445 400 L N -0.194 121.056 121.223 0.046 0.000 2.051 400 L HA -0.278 4.062 4.340 -0.000 0.000 0.214 400 L C 2.274 179.122 176.870 -0.037 0.000 1.076 400 L CA 2.653 57.483 54.840 -0.018 0.000 0.758 400 L CB -1.206 40.815 42.059 -0.063 0.000 0.890 400 L HN 0.573 nan 8.230 nan 0.000 0.433 401 H N -0.997 118.080 119.070 0.011 0.000 2.326 401 H HA -0.033 4.523 4.556 -0.000 0.000 0.301 401 H C 2.194 177.531 175.328 0.014 0.000 1.081 401 H CA 1.630 57.687 56.048 0.014 0.000 1.334 401 H CB -0.053 29.718 29.762 0.016 0.000 1.385 401 H HN 0.453 nan 8.280 nan 0.000 0.504 402 A N 0.298 123.210 122.820 0.153 0.000 1.877 402 A HA -0.234 4.086 4.320 -0.000 0.000 0.216 402 A C 2.517 180.134 177.584 0.055 0.000 1.186 402 A CA 2.321 54.411 52.037 0.088 0.000 0.620 402 A CB -1.250 17.788 19.000 0.064 0.000 0.822 402 A HN 0.628 nan 8.150 nan 0.000 0.443 403 T N -1.474 113.103 114.554 0.039 0.000 2.635 403 T HA -0.243 4.107 4.350 -0.000 0.000 0.267 403 T C 1.889 176.599 174.700 0.016 0.000 1.040 403 T CA 1.345 63.458 62.100 0.021 0.000 1.156 403 T CB -0.571 68.303 68.868 0.009 0.000 0.863 403 T HN 0.464 nan 8.240 nan 0.000 0.430 404 R N 1.718 122.223 120.500 0.008 0.000 2.185 404 R HA -0.018 4.322 4.340 -0.000 0.000 0.247 404 R C 2.711 179.024 176.300 0.023 0.000 1.159 404 R CA 1.425 57.527 56.100 0.004 0.000 0.988 404 R CB -0.922 29.367 30.300 -0.018 0.000 0.871 404 R HN 0.667 nan 8.270 nan 0.000 0.458 405 A N 0.773 123.617 122.820 0.040 0.000 1.911 405 A HA 0.173 4.493 4.320 -0.000 0.000 0.212 405 A C 2.384 179.987 177.584 0.031 0.000 1.189 405 A CA 0.893 52.956 52.037 0.044 0.000 0.639 405 A CB -0.334 18.703 19.000 0.060 0.000 0.839 405 A HN 0.285 nan 8.150 nan 0.000 0.449 406 A N -0.287 122.550 122.820 0.027 0.000 1.917 406 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 406 A C 2.192 179.785 177.584 0.015 0.000 1.182 406 A CA 2.045 54.094 52.037 0.020 0.000 0.633 406 A CB -0.954 18.056 19.000 0.018 0.000 0.819 406 A HN 0.402 nan 8.150 nan 0.000 0.448 407 V N 0.768 120.690 119.914 0.013 0.000 2.548 407 V HA -0.216 3.904 4.120 -0.000 0.000 0.249 407 V C 2.453 178.553 176.094 0.009 0.000 1.055 407 V CA 2.211 64.516 62.300 0.009 0.000 1.065 407 V CB -0.701 31.125 31.823 0.005 0.000 0.681 407 V HN 0.929 nan 8.190 nan 0.000 0.462 408 E N -0.352 119.855 120.200 0.013 0.000 2.340 408 E HA -0.082 4.268 4.350 -0.000 0.000 0.194 408 E C 1.726 178.334 176.600 0.013 0.000 0.996 408 E CA 0.815 57.223 56.400 0.013 0.000 0.869 408 E CB 0.120 29.828 29.700 0.015 0.000 0.835 408 E HN 0.624 nan 8.360 nan 0.000 0.493 409 E N 0.232 120.441 120.200 0.015 0.000 2.676 409 E HA 0.221 4.571 4.350 -0.000 0.000 0.225 409 E C 0.192 176.799 176.600 0.012 0.000 0.944 409 E CA 0.349 56.757 56.400 0.013 0.000 1.156 409 E CB 1.091 30.800 29.700 0.015 0.000 1.117 409 E HN 0.328 nan 8.360 nan 0.000 0.523 410 G N 0.271 109.078 108.800 0.012 0.000 2.685 410 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.387 410 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.387 410 G C -0.528 174.380 174.900 0.013 0.000 1.324 410 G CA -0.523 44.584 45.100 0.011 0.000 0.878 410 G HN 0.624 nan 8.290 nan 0.000 0.527 411 V N -2.692 117.229 119.914 0.012 0.000 3.040 411 V HA 0.981 5.101 4.120 -0.000 0.000 0.312 411 V C 0.648 176.751 176.094 0.014 0.000 1.115 411 V CA -0.059 62.249 62.300 0.014 0.000 0.998 411 V CB 1.188 33.018 31.823 0.013 0.000 1.042 411 V HN 2.410 nan 8.190 nan 0.000 0.433 412 V N -1.084 118.839 119.914 0.015 0.000 3.167 412 V HA 1.018 5.138 4.120 -0.000 0.000 0.310 412 V C 0.366 176.472 176.094 0.019 0.000 1.207 412 V CA -0.724 61.586 62.300 0.017 0.000 1.059 412 V CB 1.434 33.267 31.823 0.016 0.000 1.079 412 V HN 1.893 nan 8.190 nan 0.000 0.446 413 A N 0.881 123.715 122.820 0.023 0.000 2.451 413 A HA 0.688 5.008 4.320 -0.000 0.000 0.266 413 A C 0.822 178.419 177.584 0.022 0.000 1.119 413 A CA 0.511 52.563 52.037 0.025 0.000 0.786 413 A CB -0.487 18.535 19.000 0.035 0.000 1.061 413 A HN 1.907 nan 8.150 nan 0.000 0.503 414 G N 0.816 109.625 108.800 0.015 0.000 2.553 414 G HA2 0.506 4.466 3.960 -0.000 0.000 0.278 414 G HA3 0.506 4.466 3.960 -0.000 0.000 0.278 414 G C 1.140 176.050 174.900 0.016 0.000 1.349 414 G CA 0.036 45.144 45.100 0.013 0.000 1.037 414 G HN 2.242 nan 8.290 nan 0.000 0.508 415 G N -2.378 106.432 108.800 0.016 0.000 2.153 415 G HA2 0.228 4.188 3.960 -0.000 0.000 0.252 415 G HA3 0.228 4.188 3.960 -0.000 0.000 0.252 415 G C 1.444 176.368 174.900 0.040 0.000 0.994 415 G CA 1.024 46.141 45.100 0.028 0.000 0.698 415 G HN 2.542 nan 8.290 nan 0.000 0.521 416 G N -2.363 106.456 108.800 0.032 0.000 2.153 416 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.252 416 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.252 416 G C 1.743 176.665 174.900 0.037 0.000 0.994 416 G CA 1.695 46.815 45.100 0.032 0.000 0.698 416 G HN 2.083 nan 8.290 nan 0.000 0.521 417 V N 0.055 119.993 119.914 0.040 0.000 2.283 417 V HA 0.253 4.373 4.120 -0.000 0.000 0.243 417 V C 2.957 179.076 176.094 0.042 0.000 1.039 417 V CA 2.538 64.867 62.300 0.048 0.000 1.016 417 V CB -0.677 31.180 31.823 0.057 0.000 0.650 417 V HN 1.512 nan 8.190 nan 0.000 0.449 418 A N 0.296 123.137 122.820 0.034 0.000 1.915 418 A HA -0.259 4.061 4.320 -0.000 0.000 0.220 418 A C 2.191 179.790 177.584 0.025 0.000 1.198 418 A CA 2.648 54.702 52.037 0.028 0.000 0.647 418 A CB -0.963 18.050 19.000 0.022 0.000 0.825 418 A HN 0.557 nan 8.150 nan 0.000 0.456 419 L N -1.235 120.002 121.223 0.023 0.000 2.093 419 L HA -0.004 4.336 4.340 -0.000 0.000 0.208 419 L C 2.342 179.225 176.870 0.022 0.000 1.085 419 L CA 1.600 56.451 54.840 0.019 0.000 0.755 419 L CB -0.850 41.219 42.059 0.016 0.000 0.904 419 L HN 0.501 nan 8.230 nan 0.000 0.435 420 I N -1.093 119.495 120.570 0.029 0.000 2.315 420 I HA -0.258 3.912 4.170 -0.000 0.000 0.248 420 I C 2.548 178.684 176.117 0.032 0.000 1.117 420 I CA 0.910 62.229 61.300 0.031 0.000 1.404 420 I CB -0.139 37.885 38.000 0.040 0.000 1.071 420 I HN 0.194 nan 8.210 nan 0.000 0.419 421 R N -0.003 120.519 120.500 0.036 0.000 2.066 421 R HA -0.116 4.224 4.340 -0.000 0.000 0.232 421 R C 2.385 178.698 176.300 0.023 0.000 1.131 421 R CA 1.737 57.857 56.100 0.033 0.000 0.955 421 R CB -1.484 28.839 30.300 0.038 0.000 0.851 421 R HN 0.468 nan 8.270 nan 0.000 0.432 422 V N 0.734 120.659 119.914 0.018 0.000 2.392 422 V HA -0.152 3.968 4.120 -0.000 0.000 0.249 422 V C 2.236 178.336 176.094 0.011 0.000 1.059 422 V CA 2.075 64.383 62.300 0.012 0.000 1.051 422 V CB -0.737 31.091 31.823 0.008 0.000 0.658 422 V HN 0.259 nan 8.190 nan 0.000 0.455 423 A N 1.265 124.092 122.820 0.012 0.000 1.917 423 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 423 A C 2.571 180.162 177.584 0.011 0.000 1.182 423 A CA 2.898 54.942 52.037 0.011 0.000 0.633 423 A CB -1.143 17.865 19.000 0.013 0.000 0.819 423 A HN 1.081 nan 8.150 nan 0.000 0.448 424 S N -0.766 114.942 115.700 0.014 0.000 2.461 424 S HA -0.022 4.448 4.470 -0.000 0.000 0.228 424 S C 1.674 176.279 174.600 0.008 0.000 1.005 424 S CA 1.143 59.350 58.200 0.011 0.000 0.942 424 S CB -0.157 63.051 63.200 0.013 0.000 0.776 424 S HN 0.580 nan 8.310 nan 0.000 0.514 425 K N 0.928 121.333 120.400 0.009 0.000 2.211 425 K HA 0.209 4.529 4.320 -0.000 0.000 0.203 425 K C 1.154 177.756 176.600 0.004 0.000 1.050 425 K CA 0.828 57.119 56.287 0.007 0.000 0.945 425 K CB -0.226 32.278 32.500 0.007 0.000 0.732 425 K HN 0.414 nan 8.250 nan 0.000 0.451 426 L N -0.361 120.865 121.223 0.004 0.000 2.700 426 L HA 0.229 4.569 4.340 -0.000 0.000 0.234 426 L C 1.774 178.645 176.870 0.003 0.000 1.156 426 L CA -0.277 54.565 54.840 0.003 0.000 0.946 426 L CB 0.062 42.123 42.059 0.002 0.000 1.216 426 L HN 0.055 nan 8.230 nan 0.000 0.493 427 A N 0.370 123.192 122.820 0.003 0.000 1.997 427 A HA -0.233 4.087 4.320 -0.000 0.000 0.221 427 A C 1.610 179.195 177.584 0.002 0.000 1.172 427 A CA 2.009 54.048 52.037 0.003 0.000 0.645 427 A CB -0.257 18.745 19.000 0.003 0.000 0.813 427 A HN 0.375 nan 8.150 nan 0.000 0.454 428 D N -1.317 119.084 120.400 0.001 0.000 2.349 428 D HA 0.199 4.839 4.640 -0.000 0.000 0.214 428 D C 0.108 176.408 176.300 0.001 0.000 1.063 428 D CA -0.259 53.742 54.000 0.001 0.000 0.847 428 D CB -0.043 40.758 40.800 0.000 0.000 0.933 428 D HN 0.293 nan 8.370 nan 0.000 0.513 429 L N 1.498 122.722 121.223 0.001 0.000 2.456 429 L HA 0.165 4.505 4.340 -0.000 0.000 0.272 429 L C 0.370 177.240 176.870 0.001 0.000 1.189 429 L CA 0.552 55.392 54.840 0.001 0.000 0.846 429 L CB 0.207 42.266 42.059 0.001 0.000 1.111 429 L HN -0.160 nan 8.230 nan 0.000 0.475 430 R N 2.361 122.861 120.500 0.001 0.000 2.799 430 R HA 0.697 5.037 4.340 -0.000 0.000 0.270 430 R C -0.513 175.787 176.300 0.001 0.000 1.010 430 R CA -0.593 55.507 56.100 0.001 0.000 0.916 430 R CB 1.554 31.855 30.300 0.001 0.000 1.228 430 R HN 0.795 nan 8.270 nan 0.000 0.469 431 G N -0.389 108.412 108.800 0.001 0.000 3.016 431 G HA2 0.228 4.188 3.960 -0.000 0.000 0.270 431 G HA3 0.228 4.188 3.960 -0.000 0.000 0.270 431 G C 0.132 175.033 174.900 0.002 0.000 1.352 431 G CA -0.453 44.648 45.100 0.002 0.000 1.060 431 G HN 0.478 nan 8.290 nan 0.000 0.538 432 Q N -0.307 119.494 119.800 0.002 0.000 2.439 432 Q HA 0.020 4.360 4.340 -0.000 0.000 0.211 432 Q C 0.441 176.442 176.000 0.002 0.000 0.978 432 Q CA 1.064 56.868 55.803 0.002 0.000 0.897 432 Q CB -0.201 28.538 28.738 0.002 0.000 0.956 432 Q HN 0.559 nan 8.270 nan 0.000 0.483 433 N N -1.712 116.989 118.700 0.002 0.000 3.046 433 N HA -0.015 4.725 4.740 -0.000 0.000 0.243 433 N C -0.120 175.391 175.510 0.002 0.000 1.452 433 N CA -0.477 52.574 53.050 0.002 0.000 0.882 433 N CB 0.876 39.364 38.487 0.002 0.000 1.425 433 N HN -0.170 nan 8.380 nan 0.000 0.517 434 E N 0.178 120.379 120.200 0.002 0.000 2.077 434 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 434 E C 0.488 177.090 176.600 0.002 0.000 0.989 434 E CA 1.771 58.172 56.400 0.002 0.000 0.800 434 E CB -0.299 29.401 29.700 0.001 0.000 0.746 434 E HN 0.577 nan 8.360 nan 0.000 0.452 435 D N 0.174 120.576 120.400 0.003 0.000 2.123 435 D HA -0.180 4.460 4.640 -0.000 0.000 0.196 435 D C 1.905 178.207 176.300 0.004 0.000 0.992 435 D CA 1.134 55.136 54.000 0.003 0.000 0.833 435 D CB -0.263 40.539 40.800 0.004 0.000 0.954 435 D HN 0.351 nan 8.370 nan 0.000 0.455 436 Q N -0.088 119.714 119.800 0.004 0.000 2.170 436 Q HA -0.122 4.218 4.340 -0.000 0.000 0.203 436 Q C 1.742 177.744 176.000 0.003 0.000 0.976 436 Q CA 0.792 56.598 55.803 0.004 0.000 0.858 436 Q CB 0.032 28.772 28.738 0.003 0.000 0.907 436 Q HN 0.273 nan 8.270 nan 0.000 0.433 437 N N -0.218 118.484 118.700 0.003 0.000 2.120 437 N HA -0.125 4.615 4.740 -0.000 0.000 0.188 437 N C 1.827 177.338 175.510 0.003 0.000 1.024 437 N CA 1.043 54.094 53.050 0.002 0.000 0.852 437 N CB -0.376 38.112 38.487 0.002 0.000 1.003 437 N HN 0.054 nan 8.380 nan 0.000 0.424 438 V N 1.022 120.937 119.914 0.003 0.000 2.295 438 V HA -0.162 3.958 4.120 -0.000 0.000 0.246 438 V C 2.492 178.588 176.094 0.004 0.000 1.049 438 V CA 2.069 64.371 62.300 0.003 0.000 1.024 438 V CB -1.347 30.478 31.823 0.003 0.000 0.648 438 V HN 0.345 nan 8.190 nan 0.000 0.447 439 G N -0.058 108.744 108.800 0.005 0.000 2.469 439 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.219 439 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.219 439 G C 1.588 176.490 174.900 0.005 0.000 1.150 439 G CA 1.288 46.391 45.100 0.005 0.000 0.763 439 G HN 0.489 nan 8.290 nan 0.000 0.561 440 I N 0.055 120.627 120.570 0.004 0.000 2.163 440 I HA -0.177 3.993 4.170 -0.000 0.000 0.243 440 I C 2.787 178.907 176.117 0.003 0.000 1.085 440 I CA 1.460 62.762 61.300 0.003 0.000 1.347 440 I CB -0.100 37.901 38.000 0.002 0.000 1.044 440 I HN 0.040 nan 8.210 nan 0.000 0.408 441 K N 0.370 120.772 120.400 0.004 0.000 2.097 441 K HA -0.072 4.248 4.320 -0.000 0.000 0.205 441 K C 1.941 178.544 176.600 0.005 0.000 1.050 441 K CA 0.809 57.098 56.287 0.004 0.000 0.938 441 K CB -0.514 31.988 32.500 0.003 0.000 0.718 441 K HN 0.062 nan 8.250 nan 0.000 0.442 442 V N 0.645 120.562 119.914 0.005 0.000 2.252 442 V HA -0.349 3.771 4.120 -0.000 0.000 0.249 442 V C 2.142 178.240 176.094 0.006 0.000 1.056 442 V CA 2.305 64.609 62.300 0.006 0.000 1.022 442 V CB -0.679 31.148 31.823 0.007 0.000 0.641 442 V HN 0.450 nan 8.190 nan 0.000 0.445 443 A N -0.808 122.016 122.820 0.006 0.000 1.898 443 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 443 A C 2.150 179.737 177.584 0.006 0.000 1.181 443 A CA 1.821 53.861 52.037 0.006 0.000 0.620 443 A CB -0.529 18.473 19.000 0.004 0.000 0.819 443 A HN 0.533 nan 8.150 nan 0.000 0.442 444 L N -1.255 119.971 121.223 0.005 0.000 2.042 444 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 444 L C 2.836 179.711 176.870 0.008 0.000 1.076 444 L CA 1.825 56.669 54.840 0.006 0.000 0.749 444 L CB -0.576 41.486 42.059 0.006 0.000 0.893 444 L HN 0.391 nan 8.230 nan 0.000 0.432 445 R N -0.081 120.424 120.500 0.007 0.000 2.091 445 R HA -0.183 4.157 4.340 -0.000 0.000 0.238 445 R C 2.406 178.712 176.300 0.009 0.000 1.136 445 R CA 1.545 57.650 56.100 0.008 0.000 0.959 445 R CB -0.329 29.975 30.300 0.006 0.000 0.856 445 R HN 0.393 nan 8.270 nan 0.000 0.437 446 A N 0.345 123.170 122.820 0.009 0.000 1.933 446 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 446 A C 2.069 179.660 177.584 0.011 0.000 1.175 446 A CA 1.288 53.332 52.037 0.010 0.000 0.628 446 A CB -0.400 18.606 19.000 0.011 0.000 0.814 446 A HN 0.300 nan 8.150 nan 0.000 0.444 447 M N -0.359 119.247 119.600 0.011 0.000 2.419 447 M HA -0.208 4.272 4.480 -0.000 0.000 0.260 447 M C 1.422 177.731 176.300 0.015 0.000 1.073 447 M CA 1.373 56.681 55.300 0.012 0.000 1.056 447 M CB -0.267 32.339 32.600 0.011 0.000 1.394 447 M HN 0.481 nan 8.290 nan 0.000 0.444 448 E N -0.687 119.521 120.200 0.015 0.000 2.511 448 E HA -0.031 4.319 4.350 -0.000 0.000 0.196 448 E C 1.829 178.439 176.600 0.016 0.000 1.066 448 E CA 0.392 56.802 56.400 0.016 0.000 0.871 448 E CB 0.052 29.760 29.700 0.014 0.000 0.863 448 E HN 0.540 nan 8.360 nan 0.000 0.520 449 A N 2.072 124.901 122.820 0.015 0.000 1.855 449 A HA -0.070 4.250 4.320 -0.000 0.000 0.215 449 A C -0.317 177.278 177.584 0.017 0.000 1.191 449 A CA 0.894 52.940 52.037 0.014 0.000 0.613 449 A CB -1.276 17.732 19.000 0.014 0.000 0.829 449 A HN 0.117 nan 8.150 nan 0.000 0.442 450 P HA -0.137 nan 4.420 nan 0.000 0.216 450 P C 1.737 179.053 177.300 0.026 0.000 1.150 450 P CA 0.787 63.900 63.100 0.022 0.000 0.837 450 P CB -0.063 31.650 31.700 0.022 0.000 0.786 451 L N -1.011 120.229 121.223 0.029 0.000 2.056 451 L HA -0.106 4.234 4.340 -0.000 0.000 0.207 451 L C 2.374 179.261 176.870 0.028 0.000 1.078 451 L CA 1.534 56.397 54.840 0.038 0.000 0.749 451 L CB -0.177 41.908 42.059 0.044 0.000 0.901 451 L HN -0.219 nan 8.230 nan 0.000 0.433 452 R N -0.663 119.848 120.500 0.018 0.000 2.120 452 R HA -0.160 4.180 4.340 -0.000 0.000 0.234 452 R C 2.367 178.672 176.300 0.009 0.000 1.123 452 R CA 1.319 57.423 56.100 0.008 0.000 0.975 452 R CB -0.159 30.143 30.300 0.004 0.000 0.866 452 R HN 0.429 nan 8.270 nan 0.000 0.446 453 Q N 0.104 119.913 119.800 0.015 0.000 2.137 453 Q HA -0.021 4.319 4.340 -0.000 0.000 0.198 453 Q C 2.189 178.201 176.000 0.020 0.000 0.960 453 Q CA 1.012 56.824 55.803 0.014 0.000 0.847 453 Q CB 0.052 28.799 28.738 0.014 0.000 0.915 453 Q HN 0.402 nan 8.270 nan 0.000 0.448 454 I N 0.221 120.809 120.570 0.029 0.000 2.145 454 I HA -0.309 3.861 4.170 -0.000 0.000 0.244 454 I C 2.252 178.400 176.117 0.052 0.000 1.075 454 I CA 1.195 62.519 61.300 0.040 0.000 1.332 454 I CB -0.319 37.712 38.000 0.052 0.000 1.033 454 I HN 0.013 nan 8.210 nan 0.000 0.410 455 V N 0.295 120.238 119.914 0.048 0.000 2.453 455 V HA -0.234 3.886 4.120 -0.000 0.000 0.247 455 V C 2.265 178.370 176.094 0.019 0.000 1.048 455 V CA 1.295 63.618 62.300 0.039 0.000 1.049 455 V CB -0.346 31.460 31.823 -0.028 0.000 0.672 455 V HN 0.325 nan 8.190 nan 0.000 0.457 456 L N 0.427 121.656 121.223 0.010 0.000 2.156 456 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 456 L C 1.984 178.859 176.870 0.010 0.000 1.095 456 L CA 1.809 56.652 54.840 0.005 0.000 0.770 456 L CB -0.950 41.111 42.059 0.003 0.000 0.914 456 L HN 0.365 nan 8.230 nan 0.000 0.439 457 N N -1.898 116.811 118.700 0.015 0.000 2.381 457 N HA -0.170 4.570 4.740 -0.000 0.000 0.182 457 N C 1.349 176.869 175.510 0.016 0.000 1.025 457 N CA 1.127 54.185 53.050 0.014 0.000 0.888 457 N CB -0.116 38.379 38.487 0.014 0.000 0.965 457 N HN 0.389 nan 8.380 nan 0.000 0.438 458 C N 0.165 119.481 119.300 0.027 0.000 2.626 458 C HA 0.211 4.671 4.460 -0.000 0.000 0.266 458 C C 1.696 176.699 174.990 0.023 0.000 1.317 458 C CA -0.110 58.927 59.018 0.032 0.000 1.716 458 C CB -1.092 26.687 27.740 0.066 0.000 1.819 458 C HN 0.609 nan 8.230 nan 0.000 0.578 459 G N 1.717 110.526 108.800 0.014 0.000 2.233 459 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.270 459 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.270 459 G C -0.141 174.762 174.900 0.005 0.000 1.011 459 G CA 0.724 45.829 45.100 0.008 0.000 0.762 459 G HN 0.651 nan 8.290 nan 0.000 0.511 460 E N -0.370 119.831 120.200 0.002 0.000 2.518 460 E HA 0.533 4.883 4.350 -0.000 0.000 0.248 460 E C -0.007 176.574 176.600 -0.032 0.000 1.028 460 E CA -0.848 55.542 56.400 -0.016 0.000 0.922 460 E CB 0.776 30.458 29.700 -0.029 0.000 1.299 460 E HN 0.410 nan 8.360 nan 0.000 0.457 461 E N 1.676 121.847 120.200 -0.049 0.000 2.046 461 E HA 0.125 4.475 4.350 -0.000 0.000 0.279 461 E C -2.034 174.532 176.600 -0.057 0.000 0.989 461 E CA -1.770 54.606 56.400 -0.040 0.000 0.798 461 E CB 1.020 30.703 29.700 -0.028 0.000 1.086 461 E HN 0.229 nan 8.360 nan 0.000 0.399 462 P HA -0.219 nan 4.420 nan 0.000 0.217 462 P C 1.201 178.478 177.300 -0.038 0.000 1.148 462 P CA 1.370 64.445 63.100 -0.042 0.000 0.828 462 P CB 0.187 31.875 31.700 -0.020 0.000 0.783 463 S N -2.419 113.264 115.700 -0.028 0.000 2.524 463 S HA 0.061 4.531 4.470 -0.000 0.000 0.216 463 S C 1.851 176.438 174.600 -0.022 0.000 0.987 463 S CA 0.025 58.213 58.200 -0.019 0.000 0.909 463 S CB -1.066 62.127 63.200 -0.012 0.000 0.781 463 S HN -0.061 nan 8.310 nan 0.000 0.521 464 V N 1.534 121.429 119.914 -0.031 0.000 2.346 464 V HA -0.072 4.048 4.120 -0.000 0.000 0.244 464 V C 2.508 178.583 176.094 -0.032 0.000 1.037 464 V CA 1.264 63.548 62.300 -0.027 0.000 1.029 464 V CB -0.483 31.326 31.823 -0.023 0.000 0.663 464 V HN 0.404 nan 8.190 nan 0.000 0.454 465 V N 0.350 120.216 119.914 -0.080 0.000 2.237 465 V HA -0.281 3.839 4.120 -0.000 0.000 0.245 465 V C 2.744 178.823 176.094 -0.025 0.000 1.046 465 V CA 2.271 64.503 62.300 -0.113 0.000 1.007 465 V CB -1.133 30.479 31.823 -0.353 0.000 0.638 465 V HN 0.556 nan 8.190 nan 0.000 0.445 466 A N 0.200 123.004 122.820 -0.026 0.000 1.892 466 A HA -0.298 4.022 4.320 -0.000 0.000 0.218 466 A C 2.028 179.618 177.584 0.010 0.000 1.188 466 A CA 2.307 54.347 52.037 0.005 0.000 0.631 466 A CB -0.891 18.111 19.000 0.004 0.000 0.822 466 A HN 0.613 nan 8.150 nan 0.000 0.447 467 N N -0.082 118.616 118.700 -0.003 0.000 2.037 467 N HA -0.190 4.550 4.740 -0.000 0.000 0.196 467 N C 2.025 177.530 175.510 -0.009 0.000 1.034 467 N CA 2.640 55.687 53.050 -0.005 0.000 0.861 467 N CB -1.029 37.450 38.487 -0.013 0.000 1.039 467 N HN 0.743 nan 8.380 nan 0.000 0.427 468 T N -1.648 112.884 114.554 -0.036 0.000 2.821 468 T HA -0.026 4.324 4.350 -0.000 0.000 0.267 468 T C 2.049 176.761 174.700 0.020 0.000 1.046 468 T CA 1.165 63.212 62.100 -0.089 0.000 1.139 468 T CB -0.699 67.985 68.868 -0.307 0.000 0.871 468 T HN -0.030 nan 8.240 nan 0.000 0.454 469 V N 1.429 121.372 119.914 0.050 0.000 2.515 469 V HA -0.064 4.056 4.120 -0.000 0.000 0.250 469 V C 2.818 179.002 176.094 0.150 0.000 1.058 469 V CA 1.668 64.045 62.300 0.128 0.000 1.064 469 V CB -0.583 31.303 31.823 0.105 0.000 0.675 469 V HN 0.496 nan 8.190 nan 0.000 0.461 470 K N 0.288 120.735 120.400 0.079 0.000 2.103 470 K HA -0.058 4.262 4.320 -0.000 0.000 0.204 470 K C 2.190 178.820 176.600 0.049 0.000 1.052 470 K CA 1.203 57.525 56.287 0.058 0.000 0.945 470 K CB -0.583 31.936 32.500 0.031 0.000 0.722 470 K HN 0.539 nan 8.250 nan 0.000 0.443 471 G N 0.764 109.584 108.800 0.034 0.000 2.527 471 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.219 471 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.219 471 G C 0.739 175.618 174.900 -0.036 0.000 1.117 471 G CA 0.887 45.986 45.100 -0.002 0.000 0.759 471 G HN 0.385 nan 8.290 nan 0.000 0.556 472 G N -1.140 107.670 108.800 0.017 0.000 2.695 472 G HA2 0.521 4.481 3.960 -0.000 0.000 0.213 472 G HA3 0.521 4.481 3.960 -0.000 0.000 0.213 472 G C -1.170 173.721 174.900 -0.015 0.000 1.406 472 G CA -0.341 44.692 45.100 -0.112 0.000 1.049 472 G HN 0.118 nan 8.290 nan 0.000 0.573 473 D N -2.635 117.764 120.400 -0.002 0.000 2.602 473 D HA 0.502 5.142 4.640 -0.000 0.000 0.236 473 D C 0.929 177.266 176.300 0.062 0.000 1.209 473 D CA 0.620 54.628 54.000 0.013 0.000 0.831 473 D CB 1.569 42.347 40.800 -0.036 0.000 1.478 473 D HN 0.833 nan 8.370 nan 0.000 0.438 474 G N 1.620 110.449 108.800 0.048 0.000 2.699 474 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.347 474 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.347 474 G C 0.464 175.416 174.900 0.088 0.000 1.225 474 G CA 0.899 46.033 45.100 0.057 0.000 0.973 474 G HN 0.639 nan 8.290 nan 0.000 0.551 475 N N -0.397 118.365 118.700 0.104 0.000 2.273 475 N HA 0.282 5.022 4.740 -0.000 0.000 0.231 475 N C -0.232 175.379 175.510 0.168 0.000 1.134 475 N CA -0.350 52.766 53.050 0.109 0.000 0.856 475 N CB 0.487 39.020 38.487 0.076 0.000 1.068 475 N HN 0.424 nan 8.380 nan 0.000 0.510 476 Y N 1.658 121.986 120.300 0.047 0.000 2.526 476 Y HA 0.357 4.907 4.550 0.000 0.000 0.330 476 Y C 0.651 176.615 175.900 0.106 0.000 1.156 476 Y CA 0.295 58.438 58.100 0.071 0.000 1.419 476 Y CB 0.289 38.781 38.460 0.053 0.000 1.250 476 Y HN 0.047 nan 8.280 nan 0.000 0.540 477 G N 3.920 112.601 108.800 -0.199 0.000 2.606 477 G HA2 0.286 4.246 3.960 -0.000 0.000 0.300 477 G HA3 0.286 4.246 3.960 -0.000 0.000 0.300 477 G C -2.505 172.349 174.900 -0.076 0.000 1.360 477 G CA -0.912 44.120 45.100 -0.113 0.000 0.783 477 G HN 0.514 nan 8.290 nan 0.000 0.484 478 Y N 1.521 121.749 120.300 -0.119 0.000 2.331 478 Y HA 0.573 5.123 4.550 -0.000 0.000 0.338 478 Y C -0.044 175.736 175.900 -0.199 0.000 0.976 478 Y CA -1.611 56.354 58.100 -0.225 0.000 1.137 478 Y CB 1.503 39.850 38.460 -0.188 0.000 1.172 478 Y HN 0.419 nan 8.280 nan 0.000 0.478 479 N N 4.901 123.141 118.700 -0.767 0.000 2.415 479 N HA 0.150 4.890 4.740 -0.000 0.000 0.250 479 N C 0.581 175.498 175.510 -0.989 0.000 1.127 479 N CA 0.651 53.321 53.050 -0.634 0.000 0.945 479 N CB 1.233 39.479 38.487 -0.401 0.000 1.196 479 N HN 0.919 nan 8.380 nan 0.000 0.499 480 A N 4.002 126.442 122.820 -0.633 0.000 1.933 480 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 480 A C 2.052 179.473 177.584 -0.272 0.000 1.175 480 A CA 1.799 53.591 52.037 -0.409 0.000 0.628 480 A CB -0.578 18.382 19.000 -0.066 0.000 0.814 480 A HN 0.706 nan 8.150 nan 0.000 0.444 481 A N -0.549 122.136 122.820 -0.225 0.000 1.930 481 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 481 A C 2.205 179.693 177.584 -0.161 0.000 1.175 481 A CA 2.173 54.122 52.037 -0.145 0.000 0.627 481 A CB -0.907 18.029 19.000 -0.107 0.000 0.815 481 A HN 0.803 nan 8.150 nan 0.000 0.443 482 T N -1.862 112.557 114.554 -0.226 0.000 3.105 482 T HA 0.195 4.545 4.350 -0.000 0.000 0.253 482 T C 0.277 174.851 174.700 -0.209 0.000 1.047 482 T CA 0.538 62.531 62.100 -0.178 0.000 0.944 482 T CB -0.446 68.332 68.868 -0.149 0.000 1.016 482 T HN 0.666 nan 8.240 nan 0.000 0.544 483 E N 1.763 121.781 120.200 -0.304 0.000 2.216 483 E HA -0.272 4.078 4.350 -0.000 0.000 0.219 483 E C -0.428 175.992 176.600 -0.300 0.000 1.317 483 E CA 0.957 57.170 56.400 -0.311 0.000 0.716 483 E CB -2.243 27.440 29.700 -0.028 0.000 1.135 483 E HN 0.951 nan 8.360 nan 0.000 0.359 484 E N -0.633 119.301 120.200 -0.443 0.000 2.393 484 E HA 0.525 4.875 4.350 -0.000 0.000 0.273 484 E C -0.785 175.588 176.600 -0.379 0.000 0.918 484 E CA -1.104 55.106 56.400 -0.316 0.000 0.773 484 E CB 0.858 30.502 29.700 -0.093 0.000 1.275 484 E HN 0.105 nan 8.360 nan 0.000 0.451 485 Y N 0.197 120.490 120.300 -0.012 0.000 2.314 485 Y HA 0.585 5.135 4.550 0.000 0.000 0.334 485 Y C 1.127 176.983 175.900 -0.075 0.000 1.266 485 Y CA 0.930 58.962 58.100 -0.114 0.000 1.391 485 Y CB 1.548 39.916 38.460 -0.153 0.000 1.306 485 Y HN 0.831 nan 8.280 nan 0.000 0.558 486 G N 0.573 109.392 108.800 0.032 0.000 2.315 486 G HA2 0.009 3.969 3.960 -0.000 0.000 0.294 486 G HA3 0.009 3.969 3.960 -0.000 0.000 0.294 486 G C -1.925 173.054 174.900 0.132 0.000 1.300 486 G CA -1.233 43.949 45.100 0.136 0.000 0.843 486 G HN 0.537 nan 8.290 nan 0.000 0.527 487 N N 0.943 119.727 118.700 0.140 0.000 2.431 487 N HA 0.097 4.837 4.740 -0.000 0.000 0.265 487 N C 1.690 177.232 175.510 0.052 0.000 1.184 487 N CA -0.350 52.766 53.050 0.111 0.000 0.943 487 N CB 0.775 39.318 38.487 0.093 0.000 1.080 487 N HN 0.418 nan 8.380 nan 0.000 0.477 488 M N 3.539 123.165 119.600 0.043 0.000 2.319 488 M HA -0.091 4.389 4.480 -0.000 0.000 0.265 488 M C 1.477 177.785 176.300 0.014 0.000 1.068 488 M CA 0.673 55.981 55.300 0.013 0.000 1.118 488 M CB -0.321 32.285 32.600 0.011 0.000 1.395 488 M HN 0.511 nan 8.290 nan 0.000 0.435 489 I N 0.874 121.459 120.570 0.025 0.000 2.315 489 I HA -0.227 3.943 4.170 -0.000 0.000 0.248 489 I C 1.718 177.843 176.117 0.014 0.000 1.117 489 I CA 1.368 62.679 61.300 0.019 0.000 1.404 489 I CB -1.218 36.796 38.000 0.023 0.000 1.071 489 I HN 0.242 nan 8.210 nan 0.000 0.419 490 D N 0.437 120.848 120.400 0.019 0.000 2.219 490 D HA -0.089 4.551 4.640 -0.000 0.000 0.205 490 D C 2.071 178.374 176.300 0.006 0.000 0.970 490 D CA 0.925 54.934 54.000 0.016 0.000 0.851 490 D CB 0.018 40.833 40.800 0.024 0.000 0.943 490 D HN 0.341 nan 8.370 nan 0.000 0.488 491 M N -0.751 118.849 119.600 0.000 0.000 2.494 491 M HA 0.189 4.669 4.480 -0.000 0.000 0.232 491 M C 0.983 177.273 176.300 -0.018 0.000 1.137 491 M CA 0.233 55.524 55.300 -0.015 0.000 1.012 491 M CB 0.672 33.253 32.600 -0.031 0.000 1.567 491 M HN -0.016 nan 8.290 nan 0.000 0.486 492 G N 2.330 111.125 108.800 -0.009 0.000 2.179 492 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.257 492 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.257 492 G C 0.093 174.986 174.900 -0.011 0.000 1.010 492 G CA -0.097 44.998 45.100 -0.008 0.000 0.736 492 G HN 0.579 nan 8.290 nan 0.000 0.513 493 I N 1.336 121.898 120.570 -0.014 0.000 2.325 493 I HA 0.307 4.477 4.170 -0.000 0.000 0.285 493 I C 0.569 176.684 176.117 -0.004 0.000 1.128 493 I CA -0.364 60.926 61.300 -0.016 0.000 1.261 493 I CB 0.126 38.108 38.000 -0.030 0.000 1.529 493 I HN 0.006 nan 8.210 nan 0.000 0.557 494 L N 3.620 124.843 121.223 0.001 0.000 2.275 494 L HA 0.489 4.829 4.340 -0.000 0.000 0.288 494 L C -0.452 176.424 176.870 0.010 0.000 1.046 494 L CA -0.610 54.234 54.840 0.007 0.000 0.805 494 L CB 1.090 43.154 42.059 0.008 0.000 1.193 494 L HN 0.303 nan 8.230 nan 0.000 0.426 495 D N 3.865 124.273 120.400 0.013 0.000 2.168 495 D HA 0.376 5.016 4.640 -0.000 0.000 0.246 495 D C -2.447 173.864 176.300 0.018 0.000 1.050 495 D CA -1.509 52.501 54.000 0.016 0.000 0.857 495 D CB 1.975 42.785 40.800 0.016 0.000 1.169 495 D HN 0.208 nan 8.370 nan 0.000 0.453 496 P HA 0.135 nan 4.420 nan 0.000 0.276 496 P C 0.706 178.018 177.300 0.021 0.000 1.235 496 P CA -0.221 62.893 63.100 0.023 0.000 0.772 496 P CB 0.830 32.548 31.700 0.030 0.000 0.871 497 T N 2.613 117.177 114.554 0.017 0.000 2.622 497 T HA -0.222 4.128 4.350 -0.000 0.000 0.266 497 T C 1.637 176.343 174.700 0.010 0.000 1.047 497 T CA 1.494 63.601 62.100 0.012 0.000 1.159 497 T CB -0.529 68.345 68.868 0.009 0.000 0.863 497 T HN 0.503 nan 8.240 nan 0.000 0.422 498 K N 0.777 121.185 120.400 0.014 0.000 2.163 498 K HA -0.213 4.107 4.320 -0.000 0.000 0.210 498 K C 2.273 178.888 176.600 0.025 0.000 1.048 498 K CA 1.907 58.205 56.287 0.018 0.000 0.928 498 K CB -0.450 32.068 32.500 0.031 0.000 0.716 498 K HN 0.352 nan 8.250 nan 0.000 0.459 499 V N -0.788 119.144 119.914 0.031 0.000 2.346 499 V HA -0.124 3.996 4.120 -0.000 0.000 0.244 499 V C 1.751 177.861 176.094 0.026 0.000 1.037 499 V CA 2.265 64.588 62.300 0.038 0.000 1.029 499 V CB -0.569 31.278 31.823 0.041 0.000 0.663 499 V HN 0.358 nan 8.190 nan 0.000 0.454 500 T N 0.766 115.330 114.554 0.017 0.000 2.849 500 T HA -0.127 4.223 4.350 -0.000 0.000 0.270 500 T C 1.996 176.692 174.700 -0.005 0.000 1.066 500 T CA 1.830 63.936 62.100 0.010 0.000 1.130 500 T CB -0.368 68.506 68.868 0.010 0.000 0.864 500 T HN 0.545 nan 8.240 nan 0.000 0.481 501 R N 0.596 121.087 120.500 -0.016 0.000 2.140 501 R HA 0.150 4.490 4.340 -0.000 0.000 0.213 501 R C 2.179 178.419 176.300 -0.100 0.000 1.059 501 R CA 0.909 56.981 56.100 -0.048 0.000 1.000 501 R CB -0.383 29.891 30.300 -0.044 0.000 0.910 501 R HN 0.240 nan 8.270 nan 0.000 0.455 502 S N 1.291 116.947 115.700 -0.075 0.000 2.357 502 S HA -0.014 4.456 4.470 -0.000 0.000 0.221 502 S C 2.104 176.667 174.600 -0.062 0.000 1.031 502 S CA 1.032 59.144 58.200 -0.147 0.000 0.982 502 S CB -0.282 62.965 63.200 0.078 0.000 0.853 502 S HN 0.508 nan 8.310 nan 0.000 0.458 503 A N 2.171 125.020 122.820 0.049 0.000 1.894 503 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 503 A C 2.107 179.702 177.584 0.019 0.000 1.237 503 A CA 1.835 53.909 52.037 0.060 0.000 0.660 503 A CB -1.150 17.875 19.000 0.042 0.000 0.835 503 A HN 0.461 nan 8.150 nan 0.000 0.461 504 L N -1.017 120.191 121.223 -0.025 0.000 2.017 504 L HA -0.265 4.075 4.340 -0.000 0.000 0.208 504 L C 2.908 179.733 176.870 -0.076 0.000 1.073 504 L CA 2.296 57.114 54.840 -0.037 0.000 0.745 504 L CB -0.745 41.290 42.059 -0.040 0.000 0.894 504 L HN 0.604 nan 8.230 nan 0.000 0.432 505 Q N -0.960 118.731 119.800 -0.182 0.000 1.956 505 Q HA -0.272 4.068 4.340 -0.000 0.000 0.208 505 Q C 2.071 177.954 176.000 -0.196 0.000 0.998 505 Q CA 2.319 57.955 55.803 -0.277 0.000 0.855 505 Q CB -0.454 28.008 28.738 -0.460 0.000 0.928 505 Q HN 0.425 nan 8.270 nan 0.000 0.418 506 Y N 0.204 120.508 120.300 0.006 0.000 2.151 506 Y HA -0.263 4.287 4.550 0.000 0.000 0.284 506 Y C 2.372 178.275 175.900 0.006 0.000 1.166 506 Y CA 1.017 59.120 58.100 0.005 0.000 1.163 506 Y CB -1.090 37.372 38.460 0.004 0.000 0.974 506 Y HN 0.209 nan 8.280 nan 0.000 0.511 507 A N -0.096 122.808 122.820 0.139 0.000 1.873 507 A HA -0.039 4.281 4.320 -0.000 0.000 0.215 507 A C 2.507 180.126 177.584 0.058 0.000 1.186 507 A CA 1.831 53.920 52.037 0.086 0.000 0.616 507 A CB -1.220 17.814 19.000 0.057 0.000 0.823 507 A HN 0.383 nan 8.150 nan 0.000 0.442 508 A N -0.785 122.055 122.820 0.035 0.000 1.930 508 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 508 A C 2.453 180.057 177.584 0.033 0.000 1.175 508 A CA 2.100 54.150 52.037 0.023 0.000 0.627 508 A CB -0.985 18.018 19.000 0.005 0.000 0.815 508 A HN 0.572 nan 8.150 nan 0.000 0.443 509 S N -0.533 115.196 115.700 0.047 0.000 2.359 509 S HA -0.192 4.278 4.470 -0.000 0.000 0.222 509 S C 2.098 176.734 174.600 0.061 0.000 1.038 509 S CA 2.378 60.614 58.200 0.061 0.000 1.051 509 S CB -0.769 62.492 63.200 0.101 0.000 0.944 509 S HN 1.041 nan 8.310 nan 0.000 0.433 510 V N 1.523 121.480 119.914 0.071 0.000 2.379 510 V HA 0.119 4.239 4.120 -0.000 0.000 0.245 510 V C 2.498 178.615 176.094 0.038 0.000 1.044 510 V CA 1.995 64.325 62.300 0.050 0.000 1.036 510 V CB -1.463 30.388 31.823 0.046 0.000 0.664 510 V HN 0.565 nan 8.190 nan 0.000 0.453 511 A N 0.770 123.613 122.820 0.038 0.000 1.948 511 A HA -0.086 4.234 4.320 -0.000 0.000 0.220 511 A C 2.385 179.985 177.584 0.026 0.000 1.177 511 A CA 2.312 54.367 52.037 0.029 0.000 0.636 511 A CB -1.670 17.346 19.000 0.027 0.000 0.815 511 A HN 0.824 nan 8.150 nan 0.000 0.449 512 G N -0.184 108.632 108.800 0.026 0.000 2.511 512 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 512 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 512 G C 1.558 176.472 174.900 0.022 0.000 1.218 512 G CA 1.064 46.178 45.100 0.022 0.000 0.788 512 G HN 0.436 nan 8.290 nan 0.000 0.560 513 L N -0.190 121.048 121.223 0.025 0.000 2.013 513 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 513 L C 3.125 180.009 176.870 0.024 0.000 1.073 513 L CA 1.430 56.284 54.840 0.024 0.000 0.753 513 L CB -0.279 41.796 42.059 0.026 0.000 0.890 513 L HN 0.239 nan 8.230 nan 0.000 0.432 514 M N -0.409 119.206 119.600 0.025 0.000 2.267 514 M HA -0.189 4.291 4.480 -0.000 0.000 0.263 514 M C 2.001 178.315 176.300 0.024 0.000 1.063 514 M CA 1.524 56.839 55.300 0.025 0.000 1.090 514 M CB -0.254 32.361 32.600 0.025 0.000 1.392 514 M HN 0.389 nan 8.290 nan 0.000 0.422 515 I N -2.727 117.856 120.570 0.022 0.000 3.684 515 I HA 0.029 4.199 4.170 -0.000 0.000 0.304 515 I C 1.429 177.559 176.117 0.020 0.000 1.278 515 I CA 0.720 62.031 61.300 0.020 0.000 1.272 515 I CB -0.464 37.546 38.000 0.017 0.000 1.029 515 I HN 0.094 nan 8.210 nan 0.000 0.458 516 T N -2.492 112.076 114.554 0.023 0.000 3.145 516 T HA 0.196 4.546 4.350 -0.000 0.000 0.255 516 T C 0.658 175.376 174.700 0.030 0.000 1.039 516 T CA -0.257 61.858 62.100 0.024 0.000 0.928 516 T CB -0.844 68.038 68.868 0.023 0.000 1.029 516 T HN 0.214 nan 8.240 nan 0.000 0.554 517 T N 2.805 117.377 114.554 0.030 0.000 2.867 517 T HA 0.156 4.506 4.350 -0.000 0.000 0.297 517 T C 0.837 175.563 174.700 0.043 0.000 0.989 517 T CA 0.225 62.346 62.100 0.036 0.000 1.159 517 T CB 1.130 70.017 68.868 0.032 0.000 0.928 517 T HN 0.446 nan 8.240 nan 0.000 0.538 518 E N 1.016 121.252 120.200 0.060 0.000 2.444 518 E HA 0.185 4.535 4.350 -0.000 0.000 0.209 518 E C 0.183 176.867 176.600 0.141 0.000 0.806 518 E CA -0.046 56.410 56.400 0.093 0.000 1.240 518 E CB 0.540 30.297 29.700 0.096 0.000 1.238 518 E HN 0.630 nan 8.360 nan 0.000 0.591 519 C N 0.533 119.886 119.300 0.089 0.000 2.667 519 C HA 0.807 5.267 4.460 -0.000 0.000 0.323 519 C C -1.187 173.774 174.990 -0.049 0.000 1.214 519 C CA -0.584 58.420 59.018 -0.024 0.000 1.721 519 C CB 0.562 28.283 27.740 -0.033 0.000 2.275 519 C HN 0.415 nan 8.230 nan 0.000 0.491 520 M N 4.243 123.792 119.600 -0.085 0.000 2.277 520 M HA 0.463 4.943 4.480 -0.000 0.000 0.282 520 M C -1.328 175.028 176.300 0.093 0.000 1.074 520 M CA -0.375 54.962 55.300 0.062 0.000 0.954 520 M CB 2.048 34.769 32.600 0.202 0.000 1.672 520 M HN 0.377 nan 8.290 nan 0.000 0.471 521 V N 1.590 121.517 119.914 0.021 0.000 2.555 521 V HA 0.897 5.017 4.120 -0.000 0.000 0.302 521 V C -0.138 175.898 176.094 -0.098 0.000 1.038 521 V CA -0.249 62.032 62.300 -0.031 0.000 0.887 521 V CB 2.053 33.846 31.823 -0.050 0.000 0.991 521 V HN 0.980 nan 8.190 nan 0.000 0.434 522 T N 2.138 116.592 114.554 -0.167 0.000 2.661 522 T HA 0.307 4.657 4.350 -0.000 0.000 0.305 522 T C -1.893 172.681 174.700 -0.209 0.000 1.535 522 T CA -0.469 61.486 62.100 -0.242 0.000 1.000 522 T CB 1.672 70.275 68.868 -0.441 0.000 1.811 522 T HN 0.599 nan 8.240 nan 0.000 0.471 523 D N 0.920 121.196 120.400 -0.206 0.000 2.340 523 D HA 0.532 5.172 4.640 -0.000 0.000 0.251 523 D C -0.020 176.204 176.300 -0.127 0.000 1.080 523 D CA -0.298 53.624 54.000 -0.130 0.000 0.971 523 D CB 0.674 41.415 40.800 -0.099 0.000 1.137 523 D HN 0.465 nan 8.370 nan 0.000 0.475 524 L N 2.482 123.662 121.223 -0.072 0.000 2.456 524 L HA 0.178 4.518 4.340 -0.000 0.000 0.272 524 L C -1.422 175.420 176.870 -0.046 0.000 1.189 524 L CA -1.310 53.503 54.840 -0.045 0.000 0.846 524 L CB 0.074 42.120 42.059 -0.021 0.000 1.111 524 L HN 0.314 nan 8.230 nan 0.000 0.475 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.087 63.100 -0.022 0.000 0.800 525 P CB 0.000 31.700 31.700 -0.000 0.000 0.726